----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:37:03]------------------------- 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 7.611534710021818 -2.971902895000000 0.000000000000000 b 7.611534710021818 2.971902895000000 0.000000000000000 c -2.280998219989963 0.000000000000000 9.881414818423782 Atomic positions (fractional): *1 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 2 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 *3 O 0.80332016973051 0.94410185798919 0.10264202094562 15.999 4 O 0.05589814201081 0.19667983026949 0.39735797905438 15.999 5 O 0.19667983026949 0.05589814201081 0.89735797905438 15.999 6 O 0.94410185798919 0.80332016973051 0.60264202094562 15.999 *7 O 0.57619050594553 0.11848163801413 0.88679181588172 15.999 8 O 0.88151836198587 0.42380949405447 0.61320818411828 15.999 9 O 0.42380949405447 0.88151836198587 0.11320818411828 15.999 10 O 0.11848163801413 0.57619050594553 0.38679181588172 15.999 *11 O 0.31280827208559 0.66117010119524 0.55524198643005 15.999 12 O 0.33882989880476 0.68719172791441 0.94475801356995 15.999 13 O 0.68719172791441 0.33882989880476 0.44475801356995 15.999 14 O 0.66117010119524 0.31280827208559 0.05524198643005 15.999 *15 O 0.32316111878684 0.37005818026095 0.59493906782550 15.999 16 O 0.62994181973905 0.67683888121316 0.90506093217450 15.999 17 O 0.67683888121316 0.62994181973905 0.40506093217450 15.999 18 O 0.37005818026095 0.32316111878684 0.09493906782550 15.999 *19 S 0.60070873859397 0.16755437786902 0.03448299888359 32.065 20 S 0.83244562213098 0.39929126140603 0.46551700111641 32.065 21 S 0.39929126140603 0.83244562213098 0.96551700111641 32.065 22 S 0.16755437786902 0.60070873859397 0.53448299888359 32.065 *23 Rb 0.41106773353576 0.96789511473089 0.65248557095325 85.468 24 Rb 0.03210488526911 0.58893226646424 0.84751442904675 85.468 25 Rb 0.58893226646424 0.03210488526911 0.34751442904675 85.468 26 Rb 0.96789511473089 0.41106773353576 0.15248557095325 85.468 *27 Rb 0.24723952986171 0.75276047013829 0.25000000000000 85.468 28 Rb 0.75276047013829 0.24723952986171 0.75000000000000 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 15.223069420043636 0.000000000000000 0.000000000000000 b 0.000000000000000 5.943805790000000 0.000000000000000 c -2.280998219989963 0.000000000000000 9.881414818423782 Atomic positions (fractional): *1 H 0.00000000000000 0.50000000000000 0.00000000000000 1.008 > 1 2 H 0.00000000000000 0.50000000000000 0.50000000000000 1.008 > 2 3 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 4 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 2 *5 O 0.37371101385985 0.57039084412934 0.10264202094562 15.999 > 3 6 O 0.12628898614015 0.07039084412934 0.39735797905438 15.999 > 4 7 O 0.12628898614015 0.92960915587066 0.89735797905438 15.999 > 5 8 O 0.37371101385985 0.42960915587066 0.60264202094562 15.999 > 6 *9 O 0.34733607197983 0.77114556603430 0.88679181588172 15.999 > 7 10 O 0.15266392802017 0.27114556603430 0.61320818411828 15.999 > 8 11 O 0.15266392802017 0.72885443396570 0.11320818411828 15.999 > 9 12 O 0.34733607197983 0.22885443396570 0.38679181588172 15.999 > 10 *13 O 0.48698918664042 0.17418091455482 0.55524198643005 15.999 > 11 14 O 0.01301081335958 0.67418091455482 0.94475801356995 15.999 > 12 15 O 0.01301081335958 0.32581908544518 0.44475801356995 15.999 > 13 16 O 0.48698918664042 0.82581908544518 0.05524198643005 15.999 > 14 *17 O 0.34660964952389 0.02344853073706 0.59493906782550 15.999 > 15 18 O 0.15339035047611 0.52344853073706 0.90506093217450 15.999 > 16 19 O 0.15339035047611 0.47655146926294 0.40506093217450 15.999 > 17 20 O 0.34660964952389 0.97655146926294 0.09493906782550 15.999 > 18 21 O 0.87371101385985 0.07039084412934 0.10264202094562 15.999 > 3 22 O 0.62628898614015 0.57039084412934 0.39735797905438 15.999 > 4 23 O 0.62628898614015 0.42960915587066 0.89735797905438 15.999 > 5 24 O 0.87371101385985 0.92960915587066 0.60264202094562 15.999 > 6 25 O 0.84733607197983 0.27114556603430 0.88679181588172 15.999 > 7 26 O 0.65266392802017 0.77114556603430 0.61320818411828 15.999 > 8 27 O 0.65266392802017 0.22885443396570 0.11320818411828 15.999 > 9 28 O 0.84733607197983 0.72885443396570 0.38679181588172 15.999 > 10 29 O 0.98698918664042 0.67418091455482 0.55524198643005 15.999 > 11 30 O 0.51301081335958 0.17418091455482 0.94475801356995 15.999 > 12 31 O 0.51301081335958 0.82581908544518 0.44475801356995 15.999 > 13 32 O 0.98698918664042 0.32581908544518 0.05524198643005 15.999 > 14 33 O 0.84660964952389 0.52344853073706 0.59493906782550 15.999 > 15 34 O 0.65339035047611 0.02344853073706 0.90506093217450 15.999 > 16 35 O 0.65339035047611 0.97655146926294 0.40506093217450 15.999 > 17 36 O 0.84660964952389 0.47655146926294 0.09493906782550 15.999 > 18 *37 S 0.38413155823150 0.78342281963753 0.03448299888359 32.065 > 19 38 S 0.11586844176850 0.28342281963753 0.46551700111641 32.065 > 20 39 S 0.11586844176850 0.71657718036247 0.96551700111641 32.065 > 21 40 S 0.38413155823150 0.21657718036248 0.53448299888359 32.065 > 22 41 S 0.88413155823150 0.28342281963753 0.03448299888359 32.065 > 19 42 S 0.61586844176850 0.78342281963753 0.46551700111641 32.065 > 20 43 S 0.61586844176850 0.21657718036248 0.96551700111641 32.065 > 21 44 S 0.88413155823150 0.71657718036247 0.53448299888359 32.065 > 22 *45 Rb 0.18948142413333 0.77841369059756 0.65248557095325 85.468 > 23 46 Rb 0.31051857586667 0.27841369059756 0.84751442904675 85.468 > 24 47 Rb 0.31051857586667 0.72158630940244 0.34751442904675 85.468 > 25 48 Rb 0.18948142413333 0.22158630940244 0.15248557095325 85.468 > 26 *49 Rb 0.00000000000000 0.75276047013829 0.25000000000000 85.468 > 27 50 Rb 0.00000000000000 0.24723952986171 0.75000000000000 85.468 > 28 51 Rb 0.68948142413333 0.27841369059756 0.65248557095325 85.468 > 23 52 Rb 0.81051857586667 0.77841369059756 0.84751442904675 85.468 > 24 53 Rb 0.81051857586667 0.22158630940244 0.34751442904675 85.468 > 25 54 Rb 0.68948142413333 0.72158630940244 0.15248557095325 85.468 > 26 55 Rb 0.50000000000000 0.25276047013829 0.25000000000000 85.468 > 27 56 Rb 0.50000000000000 0.74723952986171 0.75000000000000 85.468 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.223069420043636 0.000000000000000 0.000000000000000 b 0.000000000000000 11.887611580000000 0.000000000000000 c -2.280998219989963 0.000000000000000 9.881414818423782 Atomic positions (fractional): *1 H 0.00000000000000 0.25000000000000 0.00000000000000 1.008 > 1 2 H 0.00000000000000 0.75000000000000 0.00000000000000 1.008 > 1 3 H 0.00000000000000 0.25000000000000 0.50000000000000 1.008 > 2 4 H 0.00000000000000 0.75000000000000 0.50000000000000 1.008 > 2 5 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 6 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 1 7 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 2 8 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 > 2 *9 O 0.37371101385985 0.28519542206467 0.10264202094562 15.999 > 3 10 O 0.37371101385985 0.78519542206467 0.10264202094562 15.999 > 3 11 O 0.12628898614015 0.03519542206467 0.39735797905438 15.999 > 4 12 O 0.12628898614015 0.53519542206467 0.39735797905438 15.999 > 4 13 O 0.12628898614015 0.46480457793533 0.89735797905438 15.999 > 5 14 O 0.12628898614015 0.96480457793533 0.89735797905438 15.999 > 5 15 O 0.37371101385985 0.21480457793533 0.60264202094562 15.999 > 6 16 O 0.37371101385985 0.71480457793533 0.60264202094562 15.999 > 6 *17 O 0.34733607197983 0.38557278301715 0.88679181588172 15.999 > 7 18 O 0.34733607197983 0.88557278301715 0.88679181588172 15.999 > 7 19 O 0.15266392802017 0.13557278301715 0.61320818411828 15.999 > 8 20 O 0.15266392802017 0.63557278301715 0.61320818411828 15.999 > 8 21 O 0.15266392802017 0.36442721698285 0.11320818411828 15.999 > 9 22 O 0.15266392802017 0.86442721698285 0.11320818411828 15.999 > 9 23 O 0.34733607197983 0.11442721698285 0.38679181588172 15.999 > 10 24 O 0.34733607197983 0.61442721698285 0.38679181588172 15.999 > 10 *25 O 0.48698918664042 0.08709045727741 0.55524198643005 15.999 > 11 26 O 0.48698918664042 0.58709045727741 0.55524198643005 15.999 > 11 27 O 0.01301081335958 0.33709045727741 0.94475801356995 15.999 > 12 28 O 0.01301081335958 0.83709045727741 0.94475801356995 15.999 > 12 29 O 0.01301081335958 0.16290954272259 0.44475801356995 15.999 > 13 30 O 0.01301081335958 0.66290954272259 0.44475801356995 15.999 > 13 31 O 0.48698918664042 0.41290954272259 0.05524198643005 15.999 > 14 32 O 0.48698918664042 0.91290954272259 0.05524198643005 15.999 > 14 *33 O 0.34660964952389 0.01172426536853 0.59493906782550 15.999 > 15 34 O 0.34660964952389 0.51172426536853 0.59493906782550 15.999 > 15 35 O 0.15339035047611 0.26172426536853 0.90506093217450 15.999 > 16 36 O 0.15339035047611 0.76172426536853 0.90506093217450 15.999 > 16 37 O 0.15339035047611 0.23827573463147 0.40506093217450 15.999 > 17 38 O 0.15339035047611 0.73827573463147 0.40506093217450 15.999 > 17 39 O 0.34660964952389 0.48827573463147 0.09493906782550 15.999 > 18 40 O 0.34660964952389 0.98827573463147 0.09493906782550 15.999 > 18 41 O 0.87371101385985 0.03519542206467 0.10264202094562 15.999 > 3 42 O 0.87371101385985 0.53519542206467 0.10264202094562 15.999 > 3 43 O 0.62628898614015 0.28519542206467 0.39735797905438 15.999 > 4 44 O 0.62628898614015 0.78519542206467 0.39735797905438 15.999 > 4 45 O 0.62628898614015 0.21480457793533 0.89735797905438 15.999 > 5 46 O 0.62628898614015 0.71480457793533 0.89735797905438 15.999 > 5 47 O 0.87371101385985 0.46480457793533 0.60264202094562 15.999 > 6 48 O 0.87371101385985 0.96480457793533 0.60264202094562 15.999 > 6 49 O 0.84733607197983 0.13557278301715 0.88679181588172 15.999 > 7 50 O 0.84733607197983 0.63557278301715 0.88679181588172 15.999 > 7 51 O 0.65266392802017 0.38557278301715 0.61320818411828 15.999 > 8 52 O 0.65266392802017 0.88557278301715 0.61320818411828 15.999 > 8 53 O 0.65266392802017 0.11442721698285 0.11320818411828 15.999 > 9 54 O 0.65266392802017 0.61442721698285 0.11320818411828 15.999 > 9 55 O 0.84733607197983 0.36442721698285 0.38679181588172 15.999 > 10 56 O 0.84733607197983 0.86442721698285 0.38679181588172 15.999 > 10 57 O 0.98698918664042 0.33709045727741 0.55524198643005 15.999 > 11 58 O 0.98698918664042 0.83709045727741 0.55524198643005 15.999 > 11 59 O 0.51301081335958 0.08709045727741 0.94475801356995 15.999 > 12 60 O 0.51301081335958 0.58709045727741 0.94475801356995 15.999 > 12 61 O 0.51301081335958 0.41290954272259 0.44475801356995 15.999 > 13 62 O 0.51301081335958 0.91290954272259 0.44475801356995 15.999 > 13 63 O 0.98698918664042 0.16290954272259 0.05524198643005 15.999 > 14 64 O 0.98698918664042 0.66290954272259 0.05524198643005 15.999 > 14 65 O 0.84660964952389 0.26172426536853 0.59493906782550 15.999 > 15 66 O 0.84660964952389 0.76172426536853 0.59493906782550 15.999 > 15 67 O 0.65339035047611 0.01172426536853 0.90506093217450 15.999 > 16 68 O 0.65339035047611 0.51172426536853 0.90506093217450 15.999 > 16 69 O 0.65339035047611 0.48827573463147 0.40506093217450 15.999 > 17 70 O 0.65339035047611 0.98827573463147 0.40506093217450 15.999 > 17 71 O 0.84660964952389 0.23827573463147 0.09493906782550 15.999 > 18 72 O 0.84660964952389 0.73827573463147 0.09493906782550 15.999 > 18 *73 S 0.38413155823150 0.39171140981876 0.03448299888359 32.065 > 19 74 S 0.38413155823150 0.89171140981876 0.03448299888359 32.065 > 19 75 S 0.11586844176850 0.14171140981876 0.46551700111641 32.065 > 20 76 S 0.11586844176850 0.64171140981876 0.46551700111641 32.065 > 20 77 S 0.11586844176850 0.35828859018124 0.96551700111641 32.065 > 21 78 S 0.11586844176850 0.85828859018124 0.96551700111641 32.065 > 21 79 S 0.38413155823150 0.10828859018124 0.53448299888359 32.065 > 22 80 S 0.38413155823150 0.60828859018124 0.53448299888359 32.065 > 22 81 S 0.88413155823150 0.14171140981876 0.03448299888359 32.065 > 19 82 S 0.88413155823150 0.64171140981876 0.03448299888359 32.065 > 19 83 S 0.61586844176850 0.39171140981876 0.46551700111641 32.065 > 20 84 S 0.61586844176850 0.89171140981876 0.46551700111641 32.065 > 20 85 S 0.61586844176850 0.10828859018124 0.96551700111641 32.065 > 21 86 S 0.61586844176850 0.60828859018124 0.96551700111641 32.065 > 21 87 S 0.88413155823150 0.35828859018124 0.53448299888359 32.065 > 22 88 S 0.88413155823150 0.85828859018124 0.53448299888359 32.065 > 22 *89 Rb 0.18948142413333 0.38920684529878 0.65248557095325 85.468 > 23 90 Rb 0.18948142413333 0.88920684529878 0.65248557095325 85.468 > 23 91 Rb 0.31051857586667 0.13920684529878 0.84751442904675 85.468 > 24 92 Rb 0.31051857586667 0.63920684529878 0.84751442904675 85.468 > 24 93 Rb 0.31051857586667 0.36079315470122 0.34751442904675 85.468 > 25 94 Rb 0.31051857586667 0.86079315470122 0.34751442904675 85.468 > 25 95 Rb 0.18948142413333 0.11079315470122 0.15248557095325 85.468 > 26 96 Rb 0.18948142413333 0.61079315470122 0.15248557095325 85.468 > 26 *97 Rb 0.00000000000000 0.37638023506914 0.25000000000000 85.468 > 27 98 Rb 0.00000000000000 0.87638023506914 0.25000000000000 85.468 > 27 99 Rb 0.00000000000000 0.12361976493086 0.75000000000000 85.468 > 28 100 Rb 0.00000000000000 0.62361976493086 0.75000000000000 85.468 > 28 101 Rb 0.68948142413333 0.13920684529878 0.65248557095325 85.468 > 23 102 Rb 0.68948142413333 0.63920684529878 0.65248557095325 85.468 > 23 103 Rb 0.81051857586667 0.38920684529878 0.84751442904675 85.468 > 24 104 Rb 0.81051857586667 0.88920684529878 0.84751442904675 85.468 > 24 105 Rb 0.81051857586667 0.11079315470122 0.34751442904675 85.468 > 25 106 Rb 0.81051857586667 0.61079315470122 0.34751442904675 85.468 > 25 107 Rb 0.68948142413333 0.36079315470122 0.15248557095325 85.468 > 26 108 Rb 0.68948142413333 0.86079315470122 0.15248557095325 85.468 > 26 109 Rb 0.50000000000000 0.12638023506914 0.25000000000000 85.468 > 27 110 Rb 0.50000000000000 0.62638023506914 0.25000000000000 85.468 > 27 111 Rb 0.50000000000000 0.37361976493086 0.75000000000000 85.468 > 28 112 Rb 0.50000000000000 0.87361976493086 0.75000000000000 85.468 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3557412 0.0000000 -0.0327703 0.0000000 2.4145839 0.0000000 -0.0327694 0.0000000 2.3722535 -------------------------- Born effective charges -------------------------- 1 H 0.7174784 1.2803817 -0.6765841 0.5722190 1.6437360 -0.6595195 -0.2560650 -0.5040060 0.5673691 2 H 0.7174784 -1.2803817 -0.6765841 -0.5722190 1.6437360 0.6595195 -0.2560650 0.5040060 0.5673691 3 O -0.9898109 -0.2407850 0.1558799 -0.2045354 -1.8158086 0.4437932 0.1284360 0.4420247 -1.2412456 4 O -0.9898109 0.2407850 0.1558799 0.2045354 -1.8158086 -0.4437932 0.1284360 -0.4420247 -1.2412456 5 O -0.9898109 -0.2407850 0.1558799 -0.2045354 -1.8158086 0.4437932 0.1284360 0.4420247 -1.2412456 6 O -0.9898109 0.2407850 0.1558799 0.2045354 -1.8158086 -0.4437932 0.1284360 -0.4420247 -1.2412456 7 O -1.0382164 -0.0374743 -0.2321306 -0.0848784 -1.0379113 -0.1460226 -0.1141552 -0.0685012 -1.9979717 8 O -1.0382164 0.0374743 -0.2321306 0.0848784 -1.0379113 0.1460226 -0.1141552 0.0685012 -1.9979717 9 O -1.0382164 -0.0374743 -0.2321306 -0.0848784 -1.0379113 -0.1460226 -0.1141552 -0.0685012 -1.9979717 10 O -1.0382164 0.0374743 -0.2321306 0.0848784 -1.0379113 0.1460226 -0.1141552 0.0685012 -1.9979717 11 O -2.2593055 0.8285034 0.1676709 0.6215141 -1.4768809 -0.2193581 0.0352404 -0.1850443 -0.9607124 12 O -2.2593055 -0.8285034 0.1676709 -0.6215141 -1.4768809 0.2193581 0.0352404 0.1850443 -0.9607124 13 O -2.2593055 0.8285034 0.1676709 0.6215141 -1.4768809 -0.2193581 0.0352404 -0.1850443 -0.9607124 14 O -2.2593055 -0.8285034 0.1676709 -0.6215141 -1.4768809 0.2193581 0.0352404 0.1850443 -0.9607124 15 O -1.2783811 -0.4322262 0.2480168 -0.2851164 -1.5765995 0.3058331 0.2473687 0.3302078 -1.1722628 16 O -1.2783811 0.4322262 0.2480168 0.2851164 -1.5765995 -0.3058331 0.2473687 -0.3302078 -1.1722628 17 O -1.2783811 -0.4322262 0.2480168 -0.2851164 -1.5765995 0.3058331 0.2473687 0.3302078 -1.1722628 18 O -1.2783811 0.4322262 0.2480168 0.2851164 -1.5765995 -0.3058331 0.2473687 -0.3302078 -1.1722628 19 S 3.3603870 0.1092426 0.0034498 0.4199932 3.1340006 0.1051548 -0.1669812 0.0117137 3.0959435 20 S 3.3603870 -0.1092426 0.0034498 -0.4199932 3.1340006 -0.1051548 -0.1669812 -0.0117137 3.0959435 21 S 3.3603870 0.1092426 0.0034498 0.4199932 3.1340006 0.1051548 -0.1669812 0.0117137 3.0959435 22 S 3.3603870 -0.1092426 0.0034498 -0.4199932 3.1340006 -0.1051548 -0.1669812 -0.0117137 3.0959435 23 Rb 1.2667561 0.0784374 0.0148324 0.0811957 1.3104969 -0.0446895 -0.0024080 -0.0260151 1.3308118 24 Rb 1.2667561 -0.0784374 0.0148324 -0.0811957 1.3104969 0.0446895 -0.0024080 0.0260151 1.3308118 25 Rb 1.2667561 0.0784374 0.0148324 0.0811957 1.3104969 -0.0446895 -0.0024080 -0.0260151 1.3308118 26 Rb 1.2667561 -0.0784374 0.0148324 -0.0811957 1.3104969 0.0446895 -0.0024080 0.0260151 1.3308118 27 Rb 1.1596629 0.0000000 -0.0388544 0.0000000 1.2816696 0.0000000 0.0010636 0.0000000 1.3235051 28 Rb 1.1596629 0.0000000 -0.0388544 0.0000000 1.2816696 0.0000000 0.0010636 0.0000000 1.3235051 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3665 Number of blocks in projector: 3665 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: 790 Use submatrix version of eigh solver. (1) Block: 500 / 790 (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: 790 / 790 (1) 281 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 782 Use submatrix version of eigh solver. (1) Block: 500 / 782 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 782 / 782 (1) 272 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 782 Use submatrix version of eigh solver. (1) Block: 500 / 782 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 782 / 782 (1) 272 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 437 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 437 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 437 Use standard eigh solver. Tree of FC basis block matrices: - (3665, 3598), data: False |-- (437, 429), data: True |-- (437, 429), data: True |-- (437, 429), data: True |-- (782, 768), data: False |-- (782, 10), data: (782, 24) @ (24, 10) |-- (282, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (782, 768), data: False |-- (782, 10), data: (782, 24) @ (24, 10) |-- (282, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (790, 775), data: False |-- (790, 9), data: (790, 24) @ (24, 9) |-- (290, 281), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.950 Solver_block: 200 / 880 - Time: 0.929 Solver_block: 300 / 880 - Time: 0.838 Solver_block: 400 / 880 - Time: 0.849 Solver_block: 500 / 880 - Time: 0.839 Solver_block: 600 / 880 - Time: 0.845 Solver_block: 700 / 880 - Time: 0.844 Solver_block: 800 / 880 - Time: 0.898 Solver_block: 880 / 880 - Time: 0.693 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.144 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 17004/17004 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3665 Number of blocks in projector: 3665 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: 790 Use submatrix version of eigh solver. (1) Block: 500 / 790 (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: 790 / 790 (1) 281 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 782 Use submatrix version of eigh solver. (1) Block: 500 / 782 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 782 / 782 (1) 272 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 782 Use submatrix version of eigh solver. (1) Block: 500 / 782 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 782 / 782 (1) 272 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 437 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 437 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 437 Use standard eigh solver. Tree of FC basis block matrices: - (3665, 3598), data: False |-- (437, 429), data: True |-- (437, 429), data: True |-- (437, 429), data: True |-- (782, 768), data: False |-- (782, 10), data: (782, 24) @ (24, 10) |-- (282, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (782, 768), data: False |-- (782, 10), data: (782, 24) @ (24, 10) |-- (282, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (790, 775), data: False |-- (790, 9), data: (790, 24) @ (24, 9) |-- (290, 281), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xy) -0.00000000 (xy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:37:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:37:57]------------------------- 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 7.611534710021818 -2.971902895000000 0.000000000000000 b 7.611534710021818 2.971902895000000 0.000000000000000 c -2.280998219989963 0.000000000000000 9.881414818423782 Atomic positions (fractional): 1 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 2 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 3 O 0.80332016973051 0.94410185798919 0.10264202094562 15.999 4 O 0.05589814201081 0.19667983026949 0.39735797905438 15.999 5 O 0.19667983026949 0.05589814201081 0.89735797905438 15.999 6 O 0.94410185798919 0.80332016973051 0.60264202094562 15.999 7 O 0.57619050594553 0.11848163801413 0.88679181588172 15.999 8 O 0.88151836198587 0.42380949405447 0.61320818411828 15.999 9 O 0.42380949405447 0.88151836198587 0.11320818411828 15.999 10 O 0.11848163801413 0.57619050594553 0.38679181588172 15.999 11 O 0.31280827208559 0.66117010119524 0.55524198643005 15.999 12 O 0.33882989880476 0.68719172791441 0.94475801356995 15.999 13 O 0.68719172791441 0.33882989880476 0.44475801356995 15.999 14 O 0.66117010119524 0.31280827208559 0.05524198643005 15.999 15 O 0.32316111878684 0.37005818026095 0.59493906782550 15.999 16 O 0.62994181973905 0.67683888121316 0.90506093217450 15.999 17 O 0.67683888121316 0.62994181973905 0.40506093217450 15.999 18 O 0.37005818026095 0.32316111878684 0.09493906782550 15.999 19 S 0.60070873859397 0.16755437786902 0.03448299888359 32.065 20 S 0.83244562213098 0.39929126140603 0.46551700111641 32.065 21 S 0.39929126140603 0.83244562213098 0.96551700111641 32.065 22 S 0.16755437786902 0.60070873859397 0.53448299888359 32.065 23 Rb 0.41106773353576 0.96789511473089 0.65248557095325 85.468 24 Rb 0.03210488526911 0.58893226646424 0.84751442904675 85.468 25 Rb 0.58893226646424 0.03210488526911 0.34751442904675 85.468 26 Rb 0.96789511473089 0.41106773353576 0.15248557095325 85.468 27 Rb 0.24723952986171 0.75276047013829 0.25000000000000 85.468 28 Rb 0.75276047013829 0.24723952986171 0.75000000000000 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.223069420043636 0.000000000000000 0.000000000000000 b 0.000000000000000 11.887611580000000 0.000000000000000 c -2.280998219989963 0.000000000000000 9.881414818423782 Atomic positions (fractional): 1 H 0.00000000000000 0.25000000000000 0.00000000000000 1.008 > 1 2 H 0.00000000000000 0.75000000000000 0.00000000000000 1.008 > 1 3 H 0.00000000000000 0.25000000000000 0.50000000000000 1.008 > 3 4 H 0.00000000000000 0.75000000000000 0.50000000000000 1.008 > 3 5 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 6 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 1 7 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 3 8 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 > 3 9 O 0.37371101385985 0.28519542206467 0.10264202094562 15.999 > 9 10 O 0.37371101385985 0.78519542206467 0.10264202094562 15.999 > 9 11 O 0.12628898614015 0.03519542206467 0.39735797905438 15.999 > 11 12 O 0.12628898614015 0.53519542206467 0.39735797905438 15.999 > 11 13 O 0.12628898614015 0.46480457793533 0.89735797905438 15.999 > 13 14 O 0.12628898614015 0.96480457793533 0.89735797905438 15.999 > 13 15 O 0.37371101385985 0.21480457793533 0.60264202094562 15.999 > 15 16 O 0.37371101385985 0.71480457793533 0.60264202094562 15.999 > 15 17 O 0.34733607197983 0.38557278301715 0.88679181588172 15.999 > 17 18 O 0.34733607197983 0.88557278301715 0.88679181588172 15.999 > 17 19 O 0.15266392802017 0.13557278301715 0.61320818411828 15.999 > 19 20 O 0.15266392802017 0.63557278301715 0.61320818411828 15.999 > 19 21 O 0.15266392802017 0.36442721698285 0.11320818411828 15.999 > 21 22 O 0.15266392802017 0.86442721698285 0.11320818411828 15.999 > 21 23 O 0.34733607197983 0.11442721698285 0.38679181588172 15.999 > 23 24 O 0.34733607197983 0.61442721698285 0.38679181588172 15.999 > 23 25 O 0.48698918664042 0.08709045727741 0.55524198643005 15.999 > 25 26 O 0.48698918664042 0.58709045727741 0.55524198643005 15.999 > 25 27 O 0.01301081335958 0.33709045727741 0.94475801356995 15.999 > 27 28 O 0.01301081335958 0.83709045727741 0.94475801356995 15.999 > 27 29 O 0.01301081335958 0.16290954272259 0.44475801356995 15.999 > 29 30 O 0.01301081335958 0.66290954272259 0.44475801356995 15.999 > 29 31 O 0.48698918664042 0.41290954272259 0.05524198643005 15.999 > 31 32 O 0.48698918664042 0.91290954272259 0.05524198643005 15.999 > 31 33 O 0.34660964952389 0.01172426536853 0.59493906782550 15.999 > 33 34 O 0.34660964952389 0.51172426536853 0.59493906782550 15.999 > 33 35 O 0.15339035047611 0.26172426536853 0.90506093217450 15.999 > 35 36 O 0.15339035047611 0.76172426536853 0.90506093217450 15.999 > 35 37 O 0.15339035047611 0.23827573463147 0.40506093217450 15.999 > 37 38 O 0.15339035047611 0.73827573463147 0.40506093217450 15.999 > 37 39 O 0.34660964952389 0.48827573463147 0.09493906782550 15.999 > 39 40 O 0.34660964952389 0.98827573463147 0.09493906782550 15.999 > 39 41 O 0.87371101385985 0.03519542206467 0.10264202094562 15.999 > 9 42 O 0.87371101385985 0.53519542206467 0.10264202094562 15.999 > 9 43 O 0.62628898614015 0.28519542206467 0.39735797905438 15.999 > 11 44 O 0.62628898614015 0.78519542206467 0.39735797905438 15.999 > 11 45 O 0.62628898614015 0.21480457793533 0.89735797905438 15.999 > 13 46 O 0.62628898614015 0.71480457793533 0.89735797905438 15.999 > 13 47 O 0.87371101385985 0.46480457793533 0.60264202094562 15.999 > 15 48 O 0.87371101385985 0.96480457793533 0.60264202094562 15.999 > 15 49 O 0.84733607197983 0.13557278301715 0.88679181588172 15.999 > 17 50 O 0.84733607197983 0.63557278301715 0.88679181588172 15.999 > 17 51 O 0.65266392802017 0.38557278301715 0.61320818411828 15.999 > 19 52 O 0.65266392802017 0.88557278301715 0.61320818411828 15.999 > 19 53 O 0.65266392802017 0.11442721698285 0.11320818411828 15.999 > 21 54 O 0.65266392802017 0.61442721698285 0.11320818411828 15.999 > 21 55 O 0.84733607197983 0.36442721698285 0.38679181588172 15.999 > 23 56 O 0.84733607197983 0.86442721698285 0.38679181588172 15.999 > 23 57 O 0.98698918664042 0.33709045727741 0.55524198643005 15.999 > 25 58 O 0.98698918664042 0.83709045727741 0.55524198643005 15.999 > 25 59 O 0.51301081335958 0.08709045727741 0.94475801356995 15.999 > 27 60 O 0.51301081335958 0.58709045727741 0.94475801356995 15.999 > 27 61 O 0.51301081335958 0.41290954272259 0.44475801356995 15.999 > 29 62 O 0.51301081335958 0.91290954272259 0.44475801356995 15.999 > 29 63 O 0.98698918664042 0.16290954272259 0.05524198643005 15.999 > 31 64 O 0.98698918664042 0.66290954272259 0.05524198643005 15.999 > 31 65 O 0.84660964952389 0.26172426536853 0.59493906782550 15.999 > 33 66 O 0.84660964952389 0.76172426536853 0.59493906782550 15.999 > 33 67 O 0.65339035047611 0.01172426536853 0.90506093217450 15.999 > 35 68 O 0.65339035047611 0.51172426536853 0.90506093217450 15.999 > 35 69 O 0.65339035047611 0.48827573463147 0.40506093217450 15.999 > 37 70 O 0.65339035047611 0.98827573463147 0.40506093217450 15.999 > 37 71 O 0.84660964952389 0.23827573463147 0.09493906782550 15.999 > 39 72 O 0.84660964952389 0.73827573463147 0.09493906782550 15.999 > 39 73 S 0.38413155823150 0.39171140981876 0.03448299888359 32.065 > 73 74 S 0.38413155823150 0.89171140981876 0.03448299888359 32.065 > 73 75 S 0.11586844176850 0.14171140981876 0.46551700111641 32.065 > 75 76 S 0.11586844176850 0.64171140981876 0.46551700111641 32.065 > 75 77 S 0.11586844176850 0.35828859018124 0.96551700111641 32.065 > 77 78 S 0.11586844176850 0.85828859018124 0.96551700111641 32.065 > 77 79 S 0.38413155823150 0.10828859018124 0.53448299888359 32.065 > 79 80 S 0.38413155823150 0.60828859018124 0.53448299888359 32.065 > 79 81 S 0.88413155823150 0.14171140981876 0.03448299888359 32.065 > 73 82 S 0.88413155823150 0.64171140981876 0.03448299888359 32.065 > 73 83 S 0.61586844176850 0.39171140981876 0.46551700111641 32.065 > 75 84 S 0.61586844176850 0.89171140981876 0.46551700111641 32.065 > 75 85 S 0.61586844176850 0.10828859018124 0.96551700111641 32.065 > 77 86 S 0.61586844176850 0.60828859018124 0.96551700111641 32.065 > 77 87 S 0.88413155823150 0.35828859018124 0.53448299888359 32.065 > 79 88 S 0.88413155823150 0.85828859018124 0.53448299888359 32.065 > 79 89 Rb 0.18948142413333 0.38920684529878 0.65248557095325 85.468 > 89 90 Rb 0.18948142413333 0.88920684529878 0.65248557095325 85.468 > 89 91 Rb 0.31051857586667 0.13920684529878 0.84751442904675 85.468 > 91 92 Rb 0.31051857586667 0.63920684529878 0.84751442904675 85.468 > 91 93 Rb 0.31051857586667 0.36079315470122 0.34751442904675 85.468 > 93 94 Rb 0.31051857586667 0.86079315470122 0.34751442904675 85.468 > 93 95 Rb 0.18948142413333 0.11079315470122 0.15248557095325 85.468 > 95 96 Rb 0.18948142413333 0.61079315470122 0.15248557095325 85.468 > 95 97 Rb 0.00000000000000 0.37638023506914 0.25000000000000 85.468 > 97 98 Rb 0.00000000000000 0.87638023506914 0.25000000000000 85.468 > 97 99 Rb 0.00000000000000 0.12361976493086 0.75000000000000 85.468 > 99 100 Rb 0.00000000000000 0.62361976493086 0.75000000000000 85.468 > 99 101 Rb 0.68948142413333 0.13920684529878 0.65248557095325 85.468 > 89 102 Rb 0.68948142413333 0.63920684529878 0.65248557095325 85.468 > 89 103 Rb 0.81051857586667 0.38920684529878 0.84751442904675 85.468 > 91 104 Rb 0.81051857586667 0.88920684529878 0.84751442904675 85.468 > 91 105 Rb 0.81051857586667 0.11079315470122 0.34751442904675 85.468 > 93 106 Rb 0.81051857586667 0.61079315470122 0.34751442904675 85.468 > 93 107 Rb 0.68948142413333 0.36079315470122 0.15248557095325 85.468 > 95 108 Rb 0.68948142413333 0.86079315470122 0.15248557095325 85.468 > 95 109 Rb 0.50000000000000 0.12638023506914 0.25000000000000 85.468 > 97 110 Rb 0.50000000000000 0.62638023506914 0.25000000000000 85.468 > 97 111 Rb 0.50000000000000 0.37361976493086 0.75000000000000 85.468 > 99 112 Rb 0.50000000000000 0.87361976493086 0.75000000000000 85.468 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3557412 0.0000000 -0.0327703 0.0000000 2.4145839 0.0000000 -0.0327694 0.0000000 2.3722535 -------------------------- Born effective charges -------------------------- 1 H 0.7174784 1.2803817 -0.6765841 0.5722190 1.6437360 -0.6595195 -0.2560650 -0.5040060 0.5673691 2 H 0.7174784 -1.2803817 -0.6765841 -0.5722190 1.6437360 0.6595195 -0.2560650 0.5040060 0.5673691 3 O -0.9898109 -0.2407850 0.1558799 -0.2045354 -1.8158086 0.4437932 0.1284360 0.4420247 -1.2412456 4 O -0.9898109 0.2407850 0.1558799 0.2045354 -1.8158086 -0.4437932 0.1284360 -0.4420247 -1.2412456 5 O -0.9898109 -0.2407850 0.1558799 -0.2045354 -1.8158086 0.4437932 0.1284360 0.4420247 -1.2412456 6 O -0.9898109 0.2407850 0.1558799 0.2045354 -1.8158086 -0.4437932 0.1284360 -0.4420247 -1.2412456 7 O -1.0382164 -0.0374743 -0.2321306 -0.0848784 -1.0379113 -0.1460226 -0.1141552 -0.0685012 -1.9979717 8 O -1.0382164 0.0374743 -0.2321306 0.0848784 -1.0379113 0.1460226 -0.1141552 0.0685012 -1.9979717 9 O -1.0382164 -0.0374743 -0.2321306 -0.0848784 -1.0379113 -0.1460226 -0.1141552 -0.0685012 -1.9979717 10 O -1.0382164 0.0374743 -0.2321306 0.0848784 -1.0379113 0.1460226 -0.1141552 0.0685012 -1.9979717 11 O -2.2593055 0.8285034 0.1676709 0.6215141 -1.4768809 -0.2193581 0.0352404 -0.1850443 -0.9607124 12 O -2.2593055 -0.8285034 0.1676709 -0.6215141 -1.4768809 0.2193581 0.0352404 0.1850443 -0.9607124 13 O -2.2593055 0.8285034 0.1676709 0.6215141 -1.4768809 -0.2193581 0.0352404 -0.1850443 -0.9607124 14 O -2.2593055 -0.8285034 0.1676709 -0.6215141 -1.4768809 0.2193581 0.0352404 0.1850443 -0.9607124 15 O -1.2783811 -0.4322262 0.2480168 -0.2851164 -1.5765995 0.3058331 0.2473687 0.3302078 -1.1722628 16 O -1.2783811 0.4322262 0.2480168 0.2851164 -1.5765995 -0.3058331 0.2473687 -0.3302078 -1.1722628 17 O -1.2783811 -0.4322262 0.2480168 -0.2851164 -1.5765995 0.3058331 0.2473687 0.3302078 -1.1722628 18 O -1.2783811 0.4322262 0.2480168 0.2851164 -1.5765995 -0.3058331 0.2473687 -0.3302078 -1.1722628 19 S 3.3603870 0.1092426 0.0034498 0.4199932 3.1340006 0.1051548 -0.1669812 0.0117137 3.0959435 20 S 3.3603870 -0.1092426 0.0034498 -0.4199932 3.1340006 -0.1051548 -0.1669812 -0.0117137 3.0959435 21 S 3.3603870 0.1092426 0.0034498 0.4199932 3.1340006 0.1051548 -0.1669812 0.0117137 3.0959435 22 S 3.3603870 -0.1092426 0.0034498 -0.4199932 3.1340006 -0.1051548 -0.1669812 -0.0117137 3.0959435 23 Rb 1.2667561 0.0784374 0.0148324 0.0811957 1.3104969 -0.0446895 -0.0024080 -0.0260151 1.3308118 24 Rb 1.2667561 -0.0784374 0.0148324 -0.0811957 1.3104969 0.0446895 -0.0024080 0.0260151 1.3308118 25 Rb 1.2667561 0.0784374 0.0148324 0.0811957 1.3104969 -0.0446895 -0.0024080 -0.0260151 1.3308118 26 Rb 1.2667561 -0.0784374 0.0148324 -0.0811957 1.3104969 0.0446895 -0.0024080 0.0260151 1.3308118 27 Rb 1.1596629 0.0000000 -0.0388544 0.0000000 1.2816696 0.0000000 0.0010636 0.0000000 1.3235051 28 Rb 1.1596629 0.0000000 -0.0388544 0.0000000 1.2816696 0.0000000 0.0010636 0.0000000 1.3235051 ---------------------------------------------------------------------------- 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] 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] [-0.0022 0.0000 0.0097] [ 0.0022 0.0000 -0.0097] 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 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:38:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:38:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 7.611534710021818 -2.971902895000000 0.000000000000000 b 7.611534710021818 2.971902895000000 0.000000000000000 c -2.280998219989963 0.000000000000000 9.881414818423782 Atomic positions (fractional): 1 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 2 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 3 O 0.80332016973051 0.94410185798919 0.10264202094562 15.999 4 O 0.05589814201081 0.19667983026949 0.39735797905438 15.999 5 O 0.19667983026949 0.05589814201081 0.89735797905438 15.999 6 O 0.94410185798919 0.80332016973051 0.60264202094562 15.999 7 O 0.57619050594553 0.11848163801413 0.88679181588172 15.999 8 O 0.88151836198587 0.42380949405447 0.61320818411828 15.999 9 O 0.42380949405447 0.88151836198587 0.11320818411828 15.999 10 O 0.11848163801413 0.57619050594553 0.38679181588172 15.999 11 O 0.31280827208559 0.66117010119524 0.55524198643005 15.999 12 O 0.33882989880476 0.68719172791441 0.94475801356995 15.999 13 O 0.68719172791441 0.33882989880476 0.44475801356995 15.999 14 O 0.66117010119524 0.31280827208559 0.05524198643005 15.999 15 O 0.32316111878684 0.37005818026095 0.59493906782550 15.999 16 O 0.62994181973905 0.67683888121316 0.90506093217450 15.999 17 O 0.67683888121316 0.62994181973905 0.40506093217450 15.999 18 O 0.37005818026095 0.32316111878684 0.09493906782550 15.999 19 S 0.60070873859397 0.16755437786902 0.03448299888359 32.065 20 S 0.83244562213098 0.39929126140603 0.46551700111641 32.065 21 S 0.39929126140603 0.83244562213098 0.96551700111641 32.065 22 S 0.16755437786902 0.60070873859397 0.53448299888359 32.065 23 Rb 0.41106773353576 0.96789511473089 0.65248557095325 85.468 24 Rb 0.03210488526911 0.58893226646424 0.84751442904675 85.468 25 Rb 0.58893226646424 0.03210488526911 0.34751442904675 85.468 26 Rb 0.96789511473089 0.41106773353576 0.15248557095325 85.468 27 Rb 0.24723952986171 0.75276047013829 0.25000000000000 85.468 28 Rb 0.75276047013829 0.24723952986171 0.75000000000000 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.223069420043636 0.000000000000000 0.000000000000000 b 0.000000000000000 11.887611580000000 0.000000000000000 c -2.280998219989963 0.000000000000000 9.881414818423782 Atomic positions (fractional): 1 H 0.00000000000000 0.25000000000000 0.00000000000000 1.008 > 1 2 H 0.00000000000000 0.75000000000000 0.00000000000000 1.008 > 1 3 H 0.00000000000000 0.25000000000000 0.50000000000000 1.008 > 3 4 H 0.00000000000000 0.75000000000000 0.50000000000000 1.008 > 3 5 H 0.50000000000000 0.00000000000000 0.00000000000000 1.008 > 1 6 H 0.50000000000000 0.50000000000000 0.00000000000000 1.008 > 1 7 H 0.50000000000000 0.00000000000000 0.50000000000000 1.008 > 3 8 H 0.50000000000000 0.50000000000000 0.50000000000000 1.008 > 3 9 O 0.37371101385985 0.28519542206467 0.10264202094562 15.999 > 9 10 O 0.37371101385985 0.78519542206467 0.10264202094562 15.999 > 9 11 O 0.12628898614015 0.03519542206467 0.39735797905438 15.999 > 11 12 O 0.12628898614015 0.53519542206467 0.39735797905438 15.999 > 11 13 O 0.12628898614015 0.46480457793533 0.89735797905438 15.999 > 13 14 O 0.12628898614015 0.96480457793533 0.89735797905438 15.999 > 13 15 O 0.37371101385985 0.21480457793533 0.60264202094562 15.999 > 15 16 O 0.37371101385985 0.71480457793533 0.60264202094562 15.999 > 15 17 O 0.34733607197983 0.38557278301715 0.88679181588172 15.999 > 17 18 O 0.34733607197983 0.88557278301715 0.88679181588172 15.999 > 17 19 O 0.15266392802017 0.13557278301715 0.61320818411828 15.999 > 19 20 O 0.15266392802017 0.63557278301715 0.61320818411828 15.999 > 19 21 O 0.15266392802017 0.36442721698285 0.11320818411828 15.999 > 21 22 O 0.15266392802017 0.86442721698285 0.11320818411828 15.999 > 21 23 O 0.34733607197983 0.11442721698285 0.38679181588172 15.999 > 23 24 O 0.34733607197983 0.61442721698285 0.38679181588172 15.999 > 23 25 O 0.48698918664042 0.08709045727741 0.55524198643005 15.999 > 25 26 O 0.48698918664042 0.58709045727741 0.55524198643005 15.999 > 25 27 O 0.01301081335958 0.33709045727741 0.94475801356995 15.999 > 27 28 O 0.01301081335958 0.83709045727741 0.94475801356995 15.999 > 27 29 O 0.01301081335958 0.16290954272259 0.44475801356995 15.999 > 29 30 O 0.01301081335958 0.66290954272259 0.44475801356995 15.999 > 29 31 O 0.48698918664042 0.41290954272259 0.05524198643005 15.999 > 31 32 O 0.48698918664042 0.91290954272259 0.05524198643005 15.999 > 31 33 O 0.34660964952389 0.01172426536853 0.59493906782550 15.999 > 33 34 O 0.34660964952389 0.51172426536853 0.59493906782550 15.999 > 33 35 O 0.15339035047611 0.26172426536853 0.90506093217450 15.999 > 35 36 O 0.15339035047611 0.76172426536853 0.90506093217450 15.999 > 35 37 O 0.15339035047611 0.23827573463147 0.40506093217450 15.999 > 37 38 O 0.15339035047611 0.73827573463147 0.40506093217450 15.999 > 37 39 O 0.34660964952389 0.48827573463147 0.09493906782550 15.999 > 39 40 O 0.34660964952389 0.98827573463147 0.09493906782550 15.999 > 39 41 O 0.87371101385985 0.03519542206467 0.10264202094562 15.999 > 9 42 O 0.87371101385985 0.53519542206467 0.10264202094562 15.999 > 9 43 O 0.62628898614015 0.28519542206467 0.39735797905438 15.999 > 11 44 O 0.62628898614015 0.78519542206467 0.39735797905438 15.999 > 11 45 O 0.62628898614015 0.21480457793533 0.89735797905438 15.999 > 13 46 O 0.62628898614015 0.71480457793533 0.89735797905438 15.999 > 13 47 O 0.87371101385985 0.46480457793533 0.60264202094562 15.999 > 15 48 O 0.87371101385985 0.96480457793533 0.60264202094562 15.999 > 15 49 O 0.84733607197983 0.13557278301715 0.88679181588172 15.999 > 17 50 O 0.84733607197983 0.63557278301715 0.88679181588172 15.999 > 17 51 O 0.65266392802017 0.38557278301715 0.61320818411828 15.999 > 19 52 O 0.65266392802017 0.88557278301715 0.61320818411828 15.999 > 19 53 O 0.65266392802017 0.11442721698285 0.11320818411828 15.999 > 21 54 O 0.65266392802017 0.61442721698285 0.11320818411828 15.999 > 21 55 O 0.84733607197983 0.36442721698285 0.38679181588172 15.999 > 23 56 O 0.84733607197983 0.86442721698285 0.38679181588172 15.999 > 23 57 O 0.98698918664042 0.33709045727741 0.55524198643005 15.999 > 25 58 O 0.98698918664042 0.83709045727741 0.55524198643005 15.999 > 25 59 O 0.51301081335958 0.08709045727741 0.94475801356995 15.999 > 27 60 O 0.51301081335958 0.58709045727741 0.94475801356995 15.999 > 27 61 O 0.51301081335958 0.41290954272259 0.44475801356995 15.999 > 29 62 O 0.51301081335958 0.91290954272259 0.44475801356995 15.999 > 29 63 O 0.98698918664042 0.16290954272259 0.05524198643005 15.999 > 31 64 O 0.98698918664042 0.66290954272259 0.05524198643005 15.999 > 31 65 O 0.84660964952389 0.26172426536853 0.59493906782550 15.999 > 33 66 O 0.84660964952389 0.76172426536853 0.59493906782550 15.999 > 33 67 O 0.65339035047611 0.01172426536853 0.90506093217450 15.999 > 35 68 O 0.65339035047611 0.51172426536853 0.90506093217450 15.999 > 35 69 O 0.65339035047611 0.48827573463147 0.40506093217450 15.999 > 37 70 O 0.65339035047611 0.98827573463147 0.40506093217450 15.999 > 37 71 O 0.84660964952389 0.23827573463147 0.09493906782550 15.999 > 39 72 O 0.84660964952389 0.73827573463147 0.09493906782550 15.999 > 39 73 S 0.38413155823150 0.39171140981876 0.03448299888359 32.065 > 73 74 S 0.38413155823150 0.89171140981876 0.03448299888359 32.065 > 73 75 S 0.11586844176850 0.14171140981876 0.46551700111641 32.065 > 75 76 S 0.11586844176850 0.64171140981876 0.46551700111641 32.065 > 75 77 S 0.11586844176850 0.35828859018124 0.96551700111641 32.065 > 77 78 S 0.11586844176850 0.85828859018124 0.96551700111641 32.065 > 77 79 S 0.38413155823150 0.10828859018124 0.53448299888359 32.065 > 79 80 S 0.38413155823150 0.60828859018124 0.53448299888359 32.065 > 79 81 S 0.88413155823150 0.14171140981876 0.03448299888359 32.065 > 73 82 S 0.88413155823150 0.64171140981876 0.03448299888359 32.065 > 73 83 S 0.61586844176850 0.39171140981876 0.46551700111641 32.065 > 75 84 S 0.61586844176850 0.89171140981876 0.46551700111641 32.065 > 75 85 S 0.61586844176850 0.10828859018124 0.96551700111641 32.065 > 77 86 S 0.61586844176850 0.60828859018124 0.96551700111641 32.065 > 77 87 S 0.88413155823150 0.35828859018124 0.53448299888359 32.065 > 79 88 S 0.88413155823150 0.85828859018124 0.53448299888359 32.065 > 79 89 Rb 0.18948142413333 0.38920684529878 0.65248557095325 85.468 > 89 90 Rb 0.18948142413333 0.88920684529878 0.65248557095325 85.468 > 89 91 Rb 0.31051857586667 0.13920684529878 0.84751442904675 85.468 > 91 92 Rb 0.31051857586667 0.63920684529878 0.84751442904675 85.468 > 91 93 Rb 0.31051857586667 0.36079315470122 0.34751442904675 85.468 > 93 94 Rb 0.31051857586667 0.86079315470122 0.34751442904675 85.468 > 93 95 Rb 0.18948142413333 0.11079315470122 0.15248557095325 85.468 > 95 96 Rb 0.18948142413333 0.61079315470122 0.15248557095325 85.468 > 95 97 Rb 0.00000000000000 0.37638023506914 0.25000000000000 85.468 > 97 98 Rb 0.00000000000000 0.87638023506914 0.25000000000000 85.468 > 97 99 Rb 0.00000000000000 0.12361976493086 0.75000000000000 85.468 > 99 100 Rb 0.00000000000000 0.62361976493086 0.75000000000000 85.468 > 99 101 Rb 0.68948142413333 0.13920684529878 0.65248557095325 85.468 > 89 102 Rb 0.68948142413333 0.63920684529878 0.65248557095325 85.468 > 89 103 Rb 0.81051857586667 0.38920684529878 0.84751442904675 85.468 > 91 104 Rb 0.81051857586667 0.88920684529878 0.84751442904675 85.468 > 91 105 Rb 0.81051857586667 0.11079315470122 0.34751442904675 85.468 > 93 106 Rb 0.81051857586667 0.61079315470122 0.34751442904675 85.468 > 93 107 Rb 0.68948142413333 0.36079315470122 0.15248557095325 85.468 > 95 108 Rb 0.68948142413333 0.86079315470122 0.15248557095325 85.468 > 95 109 Rb 0.50000000000000 0.12638023506914 0.25000000000000 85.468 > 97 110 Rb 0.50000000000000 0.62638023506914 0.25000000000000 85.468 > 97 111 Rb 0.50000000000000 0.37361976493086 0.75000000000000 85.468 > 99 112 Rb 0.50000000000000 0.87361976493086 0.75000000000000 85.468 > 99 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3557412 0.0000000 -0.0327703 0.0000000 2.4145839 0.0000000 -0.0327694 0.0000000 2.3722535 -------------------------- Born effective charges -------------------------- 1 H 0.7174784 1.2803817 -0.6765841 0.5722190 1.6437360 -0.6595195 -0.2560650 -0.5040060 0.5673691 2 H 0.7174784 -1.2803817 -0.6765841 -0.5722190 1.6437360 0.6595195 -0.2560650 0.5040060 0.5673691 3 O -0.9898109 -0.2407850 0.1558799 -0.2045354 -1.8158086 0.4437932 0.1284360 0.4420247 -1.2412456 4 O -0.9898109 0.2407850 0.1558799 0.2045354 -1.8158086 -0.4437932 0.1284360 -0.4420247 -1.2412456 5 O -0.9898109 -0.2407850 0.1558799 -0.2045354 -1.8158086 0.4437932 0.1284360 0.4420247 -1.2412456 6 O -0.9898109 0.2407850 0.1558799 0.2045354 -1.8158086 -0.4437932 0.1284360 -0.4420247 -1.2412456 7 O -1.0382164 -0.0374743 -0.2321306 -0.0848784 -1.0379113 -0.1460226 -0.1141552 -0.0685012 -1.9979717 8 O -1.0382164 0.0374743 -0.2321306 0.0848784 -1.0379113 0.1460226 -0.1141552 0.0685012 -1.9979717 9 O -1.0382164 -0.0374743 -0.2321306 -0.0848784 -1.0379113 -0.1460226 -0.1141552 -0.0685012 -1.9979717 10 O -1.0382164 0.0374743 -0.2321306 0.0848784 -1.0379113 0.1460226 -0.1141552 0.0685012 -1.9979717 11 O -2.2593055 0.8285034 0.1676709 0.6215141 -1.4768809 -0.2193581 0.0352404 -0.1850443 -0.9607124 12 O -2.2593055 -0.8285034 0.1676709 -0.6215141 -1.4768809 0.2193581 0.0352404 0.1850443 -0.9607124 13 O -2.2593055 0.8285034 0.1676709 0.6215141 -1.4768809 -0.2193581 0.0352404 -0.1850443 -0.9607124 14 O -2.2593055 -0.8285034 0.1676709 -0.6215141 -1.4768809 0.2193581 0.0352404 0.1850443 -0.9607124 15 O -1.2783811 -0.4322262 0.2480168 -0.2851164 -1.5765995 0.3058331 0.2473687 0.3302078 -1.1722628 16 O -1.2783811 0.4322262 0.2480168 0.2851164 -1.5765995 -0.3058331 0.2473687 -0.3302078 -1.1722628 17 O -1.2783811 -0.4322262 0.2480168 -0.2851164 -1.5765995 0.3058331 0.2473687 0.3302078 -1.1722628 18 O -1.2783811 0.4322262 0.2480168 0.2851164 -1.5765995 -0.3058331 0.2473687 -0.3302078 -1.1722628 19 S 3.3603870 0.1092426 0.0034498 0.4199932 3.1340006 0.1051548 -0.1669812 0.0117137 3.0959435 20 S 3.3603870 -0.1092426 0.0034498 -0.4199932 3.1340006 -0.1051548 -0.1669812 -0.0117137 3.0959435 21 S 3.3603870 0.1092426 0.0034498 0.4199932 3.1340006 0.1051548 -0.1669812 0.0117137 3.0959435 22 S 3.3603870 -0.1092426 0.0034498 -0.4199932 3.1340006 -0.1051548 -0.1669812 -0.0117137 3.0959435 23 Rb 1.2667561 0.0784374 0.0148324 0.0811957 1.3104969 -0.0446895 -0.0024080 -0.0260151 1.3308118 24 Rb 1.2667561 -0.0784374 0.0148324 -0.0811957 1.3104969 0.0446895 -0.0024080 0.0260151 1.3308118 25 Rb 1.2667561 0.0784374 0.0148324 0.0811957 1.3104969 -0.0446895 -0.0024080 -0.0260151 1.3308118 26 Rb 1.2667561 -0.0784374 0.0148324 -0.0811957 1.3104969 0.0446895 -0.0024080 0.0260151 1.3308118 27 Rb 1.1596629 0.0000000 -0.0388544 0.0000000 1.2816696 0.0000000 0.0010636 0.0000000 1.3235051 28 Rb 1.1596629 0.0000000 -0.0388544 0.0000000 1.2816696 0.0000000 0.0010636 0.0000000 1.3235051 ---------------------------------------------------------------------------- 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 (xy) -0.00000000 (xy) --------------------------- 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 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/115) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 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 1.094 ( 0.000 0.000 0.000) 0.000 1.564 ( 0.000 0.000 0.000) 0.000 1.694 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 0.000) 0.000 1.966 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.612 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.095 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.235 ( 0.000 0.000 0.000) 0.000 3.320 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.466 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.478 ( 0.000 0.000 0.000) 0.000 4.494 ( 0.000 0.000 0.000) 0.000 8.535 ( 0.000 0.000 0.000) 0.000 8.966 ( 0.000 0.000 0.000) 0.000 8.987 ( 0.000 0.000 0.000) 0.000 8.993 ( 0.000 0.000 0.000) 0.000 12.518 ( 0.000 0.000 0.000) 0.000 12.574 ( 0.000 0.000 0.000) 0.000 12.598 ( 0.000 0.000 0.000) 0.000 12.645 ( 0.000 0.000 0.000) 0.000 13.252 ( 0.000 0.000 0.000) 0.000 13.355 ( 0.000 0.000 0.000) 0.000 15.049 ( 0.000 0.000 0.000) 0.000 15.090 ( 0.000 0.000 0.000) 0.000 17.077 ( 0.000 0.000 0.000) 0.000 17.099 ( 0.000 0.000 0.000) 0.000 17.160 ( 0.000 0.000 0.000) 0.000 17.230 ( 0.000 0.000 0.000) 0.000 17.273 ( 0.000 0.000 0.000) 0.000 17.336 ( 0.000 0.000 0.000) 0.000 17.706 ( 0.000 0.000 0.000) 0.000 17.767 ( 0.000 0.000 0.000) 0.000 19.632 ( 0.000 0.000 0.000) 0.000 19.710 ( 0.000 0.000 0.000) 0.000 20.383 ( 0.000 0.000 0.000) 0.000 20.488 ( 0.000 0.000 0.000) 0.000 27.205 ( 0.000 0.000 0.000) 0.000 27.229 ( 0.000 0.000 0.000) 0.000 27.400 ( 0.000 0.000 0.000) 0.000 27.428 ( 0.000 0.000 0.000) 0.000 30.437 ( 0.000 0.000 0.000) 0.000 30.699 ( 0.000 0.000 0.000) 0.000 33.111 ( 0.000 0.000 0.000) 0.000 33.340 ( 0.000 0.000 0.000) 0.000 33.502 ( 0.000 0.000 0.000) 0.000 33.944 ( 0.000 0.000 0.000) 0.000 34.069 ( 0.000 0.000 0.000) 0.000 34.079 ( 0.000 0.000 0.000) 0.000 34.110 ( 0.000 0.000 0.000) 0.000 34.675 ( 0.000 0.000 0.000) 0.000 35.414 ( 0.000 0.000 0.000) 0.000 35.984 ( 0.000 0.000 0.000) 0.000 38.590 ( 0.000 0.000 0.000) 0.000 39.824 ( 0.000 0.000 0.000) 0.000 45.362 ( 0.000 0.000 0.000) 0.000 45.371 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/115) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 12.991 -9.966 -1.246) 16.421 0.412 ( -5.372 -23.938 -6.619) 25.410 0.670 ( 12.398 -27.100 14.959) 33.345 1.081 ( -3.327 5.786 -1.610) 6.866 1.402 ( -0.382 10.150 -2.102) 10.373 1.720 ( -4.395 -1.375 -1.497) 4.842 1.832 ( 0.290 -2.088 2.738) 3.456 1.868 ( 3.123 -3.107 -1.259) 4.581 1.967 ( 0.092 0.648 0.922) 1.130 2.038 ( -0.749 0.101 -1.747) 1.903 2.048 ( -8.294 0.455 3.680) 9.085 2.177 ( -0.631 2.926 -1.272) 3.253 2.205 ( 3.655 5.639 1.251) 6.836 2.302 ( 3.857 -2.998 -1.434) 5.091 2.352 ( 7.137 1.578 -5.762) 9.308 2.391 ( -3.289 -2.587 -1.192) 4.351 2.434 ( -4.540 -1.841 0.923) 4.985 2.553 ( 7.105 -0.491 -2.080) 7.420 2.623 ( 2.089 -0.224 0.574) 2.178 2.803 ( 0.538 0.296 1.013) 1.185 2.853 ( 0.156 -1.629 -1.831) 2.456 2.982 ( 0.886 0.643 0.818) 1.366 3.147 ( -1.729 0.689 0.801) 2.026 3.224 ( -1.853 -0.835 -2.313) 3.079 3.240 ( -0.649 0.862 4.032) 4.174 3.262 ( -2.246 1.989 -0.383) 3.025 3.332 ( 1.087 -0.579 -0.121) 1.238 3.391 ( 3.006 0.339 -3.367) 4.526 3.482 ( -0.177 -1.285 0.155) 1.307 3.538 ( -0.785 -0.253 -0.597) 1.018 3.599 ( -0.560 -1.824 2.113) 2.847 3.620 ( 1.565 1.553 3.494) 4.132 3.694 ( -2.194 -1.496 2.663) 3.761 3.751 ( 0.326 5.061 -1.170) 5.205 3.886 ( 0.091 -3.230 0.368) 3.252 4.038 ( -1.428 -3.190 2.363) 4.218 4.116 ( -0.683 1.714 -0.440) 1.896 4.380 ( -5.706 0.351 1.024) 5.808 4.493 ( -2.038 -1.163 -1.464) 2.766 4.527 ( -0.246 -3.809 0.051) 3.818 8.878 ( -23.578 -10.910 2.555) 26.105 8.998 ( 1.310 -0.664 -0.018) 1.468 9.064 ( 2.365 -5.732 -0.141) 6.202 11.673 ( 39.731 14.487 -20.588) 47.036 12.501 ( -2.896 0.471 -0.120) 2.936 12.573 ( 2.553 1.043 0.471) 2.798 12.593 ( -1.662 -0.340 0.219) 1.710 12.675 ( 1.823 -1.463 -0.322) 2.360 13.297 ( 6.111 1.124 -0.780) 6.262 14.321 ( 80.583 25.625 -18.314) 86.519 15.063 ( 0.349 -1.093 0.104) 1.152 15.109 ( 1.830 -1.239 0.843) 2.366 17.071 ( 0.201 0.595 -0.468) 0.783 17.161 ( -0.375 -0.519 -0.902) 1.106 17.208 ( -1.356 0.355 -0.256) 1.425 17.250 ( -0.233 -1.194 -0.490) 1.311 17.281 ( 1.555 0.000 -0.028) 1.555 17.393 ( -2.225 0.074 -1.190) 2.524 17.690 ( -1.300 1.310 0.176) 1.854 17.754 ( -1.287 0.653 0.226) 1.461 19.673 ( 6.562 -0.204 -0.895) 6.626 20.370 ( -0.406 1.197 0.126) 1.271 20.472 ( 0.051 1.569 -0.004) 1.570 21.171 ( 49.065 22.955 -32.562) 63.203 27.195 ( -1.187 0.717 -0.205) 1.402 27.226 ( 0.596 0.212 0.123) 0.645 27.407 ( 0.247 -0.526 -0.140) 0.598 27.540 ( -0.258 0.492 -2.135) 2.206 30.431 ( 0.034 0.686 0.064) 0.690 30.683 ( -0.202 1.566 0.223) 1.595 33.110 ( -0.685 -0.216 -0.090) 0.724 33.326 ( 0.540 1.716 1.003) 2.059 33.515 ( 0.931 -1.088 -0.658) 1.576 34.056 ( -3.028 -0.314 0.118) 3.046 34.095 ( 0.750 -1.610 0.537) 1.855 34.197 ( 2.940 -6.883 -2.102) 7.774 34.481 ( -2.167 1.215 2.166) 3.297 35.310 ( -19.105 -8.354 -4.721) 21.380 35.411 ( 0.013 0.404 0.017) 0.405 36.082 ( -7.381 0.372 -0.875) 7.442 38.700 ( 2.426 -10.080 -3.675) 11.000 41.731 ( -68.055 -24.372 -25.432) 76.630 45.362 ( 0.115 0.122 -0.049) 0.175 45.398 ( 5.299 2.159 1.099) 5.826 ======================= Grid point 2 (3/115) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 14.047 -9.222 -3.855) 17.240 0.763 ( -6.447 -17.188 -9.753) 20.787 0.948 ( 0.864 1.137 1.943) 2.411 1.195 ( 2.975 -9.994 9.070) 13.820 1.317 ( 10.490 -5.126 0.366) 11.682 1.738 ( -0.047 -2.749 0.099) 2.752 1.777 ( -6.933 3.199 2.791) 8.129 1.915 ( -3.200 2.814 -3.337) 5.413 1.931 ( -2.584 0.468 0.440) 2.662 2.034 ( 1.520 -0.689 3.144) 3.560 2.057 ( -3.573 -6.297 2.292) 7.594 2.126 ( 0.887 1.144 -3.260) 3.567 2.167 ( -0.529 0.304 2.684) 2.752 2.314 ( 0.110 2.562 -1.567) 3.005 2.367 ( 2.667 1.421 -5.107) 5.934 2.404 ( -0.888 -1.165 -1.036) 1.795 2.464 ( -1.480 -2.299 -0.212) 2.742 2.543 ( 1.487 4.088 -2.130) 4.843 2.654 ( 3.498 -0.603 -0.073) 3.550 2.813 ( -0.043 -0.447 0.953) 1.053 2.895 ( 0.370 -2.508 -3.784) 4.555 2.986 ( 1.672 -0.044 1.884) 2.519 3.106 ( -3.494 1.635 2.706) 4.712 3.162 ( -0.796 1.888 -4.287) 4.752 3.241 ( -2.845 -2.084 1.668) 3.901 3.301 ( 1.279 -2.631 -0.097) 2.927 3.354 ( 1.401 -0.581 -1.568) 2.182 3.398 ( 2.848 0.297 -0.680) 2.943 3.484 ( -1.541 2.119 4.098) 4.864 3.534 ( 0.036 0.504 -1.092) 1.204 3.565 ( -2.252 0.781 2.446) 3.416 3.634 ( 0.411 0.220 0.274) 0.541 3.679 ( -0.399 1.308 3.881) 4.115 3.732 ( 2.318 -1.232 -2.330) 3.510 3.949 ( -0.514 -2.859 1.215) 3.149 4.071 ( -1.110 1.080 1.894) 2.446 4.093 ( -0.417 -2.115 -0.329) 2.181 4.325 ( -2.864 2.069 0.852) 3.635 4.502 ( -0.903 -0.962 -2.355) 2.700 4.597 ( 1.623 -2.991 -0.072) 3.403 8.935 ( -10.214 -7.880 0.071) 12.901 9.035 ( 1.796 -2.288 0.186) 2.915 9.200 ( 2.876 -5.872 -0.190) 6.541 11.635 ( 17.271 9.475 -7.559) 21.100 12.467 ( -2.890 0.748 0.205) 2.992 12.573 ( 2.729 1.128 0.239) 2.963 12.589 ( -1.848 -0.555 0.013) 1.929 12.715 ( 1.791 -1.305 -0.126) 2.220 13.330 ( 2.832 -1.146 -0.292) 3.070 14.422 ( 50.586 13.031 -6.704) 52.666 15.088 ( 0.091 -1.293 0.349) 1.343 15.159 ( 3.019 -1.712 1.091) 3.638 17.063 ( 0.347 0.213 -0.639) 0.758 17.172 ( -0.551 -1.092 -0.946) 1.547 17.196 ( -1.250 -0.126 -0.011) 1.257 17.266 ( 0.502 -0.421 -0.447) 0.793 17.287 ( 1.000 0.564 -0.356) 1.201 17.366 ( -2.069 0.843 -0.339) 2.260 17.639 ( -3.720 1.929 0.451) 4.215 17.736 ( -0.695 0.405 0.223) 0.835 19.727 ( 6.387 -0.088 -0.240) 6.392 20.336 ( -0.771 1.936 0.238) 2.097 20.437 ( 0.999 2.397 -0.106) 2.599 20.992 ( 22.351 19.527 -12.249) 32.108 27.169 ( -1.685 0.493 -0.290) 1.779 27.233 ( 1.504 0.033 0.057) 1.505 27.421 ( -0.059 -0.779 0.027) 0.781 27.523 ( -0.203 0.737 -0.831) 1.129 30.408 ( -0.600 1.629 0.163) 1.744 30.643 ( -0.030 2.460 0.303) 2.478 33.110 ( -1.185 -0.560 -0.246) 1.334 33.290 ( 1.126 2.874 1.008) 3.247 33.552 ( 1.291 -1.992 -0.289) 2.391 34.028 ( -1.560 1.883 0.089) 2.447 34.149 ( 2.342 -2.399 1.718) 3.767 34.335 ( -1.540 -5.093 -8.874) 10.347 34.481 ( 1.107 -3.642 8.560) 9.368 35.317 ( -10.427 -4.437 -2.984) 11.719 35.401 ( 0.088 0.615 -0.363) 0.720 36.006 ( -4.610 2.473 0.029) 5.231 38.966 ( 1.408 -16.101 -1.270) 16.213 41.625 ( -31.160 -6.685 -10.043) 33.415 45.360 ( 0.204 0.141 -0.062) 0.256 45.398 ( 2.247 0.870 0.377) 2.438 ======================= Grid point 3 (4/115) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( 3.701 3.310 2.752) 5.677 0.958 ( 11.869 -14.227 -11.573) 21.845 1.118 ( -3.491 -14.020 -1.441) 14.520 1.293 ( 1.817 -2.962 -1.839) 3.931 1.541 ( 6.456 -2.086 2.783) 7.333 1.669 ( -4.902 0.082 5.027) 7.022 1.801 ( -0.118 -0.606 -0.455) 0.767 1.865 ( -4.571 0.421 1.718) 4.901 1.917 ( -2.304 -4.716 4.333) 6.806 2.023 ( 3.355 3.534 -0.703) 4.924 2.097 ( -7.654 0.338 4.962) 9.128 2.142 ( 2.095 -1.060 -4.860) 5.398 2.244 ( -0.624 3.549 -0.538) 3.643 2.278 ( -0.135 -10.580 3.984) 11.306 2.325 ( 2.995 4.087 -3.106) 5.943 2.408 ( 2.560 0.881 -3.708) 4.591 2.454 ( 1.539 2.987 -2.356) 4.104 2.477 ( -4.437 -0.920 0.018) 4.531 2.660 ( 1.462 2.559 -0.381) 2.972 2.810 ( -0.401 1.693 -1.199) 2.113 2.900 ( -2.279 0.650 -2.153) 3.201 2.992 ( 2.957 -0.238 -0.511) 3.010 3.105 ( -0.794 -2.779 -0.070) 2.891 3.169 ( 0.904 -2.077 0.450) 2.309 3.261 ( -1.068 -0.490 2.104) 2.410 3.311 ( -2.641 1.136 2.046) 3.529 3.365 ( 1.035 -1.011 -3.814) 4.079 3.420 ( 1.424 0.445 2.870) 3.234 3.455 ( -0.694 -1.590 2.144) 2.758 3.527 ( 2.151 1.670 -2.597) 3.763 3.557 ( 0.159 0.420 0.382) 0.590 3.612 ( -3.855 1.426 5.762) 7.078 3.658 ( 1.754 1.548 0.027) 2.339 3.772 ( 2.400 -1.160 -2.965) 3.987 3.969 ( -1.881 -0.259 0.565) 1.981 4.070 ( 0.412 -1.329 -0.690) 1.553 4.124 ( -1.708 -1.612 2.516) 3.442 4.281 ( -1.280 0.824 0.224) 1.539 4.496 ( -1.184 0.421 -2.203) 2.536 4.660 ( 2.131 -2.239 -0.105) 3.093 9.005 ( -2.678 -4.173 -0.280) 4.967 9.116 ( -0.053 -5.530 0.117) 5.531 9.298 ( 3.034 -1.867 0.030) 3.563 11.550 ( 7.661 7.954 -3.104) 11.471 12.436 ( -1.898 0.665 0.216) 2.023 12.571 ( 2.353 1.124 0.053) 2.608 12.586 ( -1.912 -0.611 -0.055) 2.008 12.746 ( 1.194 -0.808 -0.028) 1.442 13.375 ( 1.854 -1.653 -0.058) 2.485 14.532 ( 33.703 7.666 -2.564) 34.659 15.110 ( -0.081 -0.917 0.261) 0.957 15.207 ( 1.883 -1.000 0.949) 2.334 17.068 ( 0.531 -0.353 -0.604) 0.879 17.188 ( -0.627 -1.187 -0.791) 1.558 17.194 ( -0.856 -0.332 0.227) 0.946 17.261 ( -0.533 0.978 -0.982) 1.485 17.283 ( 0.906 0.133 -0.404) 1.001 17.335 ( -1.608 1.021 0.684) 2.024 17.580 ( -4.050 1.169 0.431) 4.238 17.731 ( -0.043 -0.032 0.133) 0.143 19.759 ( 4.872 1.051 0.097) 4.985 20.295 ( -0.506 1.741 0.191) 1.823 20.404 ( 1.905 1.992 0.030) 2.756 20.759 ( 8.619 14.858 -5.124) 17.925 27.158 ( -0.810 -0.327 -0.286) 0.920 27.244 ( 1.362 -0.026 0.012) 1.362 27.433 ( -0.209 -0.554 0.077) 0.597 27.510 ( -0.076 0.420 -0.396) 0.583 30.365 ( -1.223 2.005 0.190) 2.357 30.600 ( 0.288 2.158 0.232) 2.189 33.115 ( -1.450 -1.183 -0.371) 1.908 33.242 ( 1.557 3.381 0.734) 3.794 33.609 ( 0.732 -3.434 0.330) 3.527 33.951 ( 0.538 5.932 -0.343) 5.967 34.207 ( 2.518 -1.097 2.619) 3.795 34.356 ( -3.845 -3.265 -6.333) 8.097 34.635 ( 2.122 -7.357 5.228) 9.272 35.311 ( -6.498 -1.998 -2.052) 7.101 35.389 ( 0.075 0.543 -0.418) 0.690 35.936 ( -2.862 1.873 0.178) 3.425 39.268 ( 1.019 -14.001 -0.187) 14.039 41.513 ( -15.730 -1.424 -4.485) 16.419 45.359 ( 0.203 0.090 -0.042) 0.226 45.399 ( 1.073 0.369 0.134) 1.142 ======================= Grid point 4 (5/115) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.034 1.558 0.593) 1.667 1.266 ( 3.803 -4.155 -1.708) 5.886 1.328 ( 10.746 -8.914 -4.432) 14.649 1.346 ( -2.153 -6.575 -3.141) 7.598 1.477 ( -5.062 4.265 4.179) 7.828 1.694 ( -0.673 2.584 -1.298) 2.968 1.789 ( -6.067 0.724 4.840) 7.795 1.880 ( 2.829 -3.425 1.533) 4.699 1.940 ( 0.995 1.033 -1.407) 2.010 2.021 ( -1.870 1.799 0.003) 2.595 2.070 ( 2.551 -4.618 -0.141) 5.278 2.130 ( -0.485 2.228 0.994) 2.488 2.186 ( -2.731 1.438 -1.363) 3.374 2.266 ( -0.262 2.270 1.457) 2.710 2.343 ( -0.267 1.646 -1.052) 1.972 2.400 ( -0.360 0.251 0.645) 0.780 2.476 ( -1.378 -0.765 -1.064) 1.902 2.540 ( 3.615 -5.423 2.356) 6.930 2.606 ( -0.506 2.108 -2.812) 3.551 2.738 ( 1.060 3.261 -1.346) 3.684 2.919 ( -2.877 -4.001 -0.359) 4.941 3.006 ( 3.066 2.264 0.570) 3.854 3.148 ( 0.741 -1.442 -0.784) 1.801 3.204 ( -0.987 -0.709 1.476) 1.912 3.264 ( -0.318 -1.382 0.804) 1.630 3.284 ( -0.763 0.835 0.725) 1.343 3.381 ( 0.425 0.449 -2.521) 2.596 3.427 ( -0.498 -1.675 0.925) 1.977 3.481 ( 0.202 3.262 0.341) 3.286 3.496 ( -0.007 -2.132 1.250) 2.471 3.540 ( 0.591 1.710 -0.337) 1.840 3.578 ( -0.324 0.929 0.513) 1.110 3.643 ( -0.213 0.501 0.693) 0.881 3.796 ( 0.983 -0.441 -1.165) 1.587 3.957 ( -0.948 0.107 -0.030) 0.954 4.102 ( 0.680 -1.259 -0.750) 1.615 4.136 ( -1.294 -0.465 1.898) 2.343 4.272 ( 0.048 0.006 -0.056) 0.074 4.472 ( -0.860 0.610 -0.962) 1.427 4.703 ( 0.970 -0.901 -0.055) 1.325 9.045 ( -0.168 -1.189 -0.051) 1.202 9.223 ( -1.336 -5.622 -0.180) 5.782 9.309 ( 2.427 2.582 0.208) 3.550 11.468 ( 2.067 3.449 -0.863) 4.112 12.417 ( -0.650 0.270 0.076) 0.708 12.567 ( 0.960 0.491 0.006) 1.078 12.584 ( -0.850 -0.266 -0.030) 0.891 12.762 ( 0.420 -0.269 -0.001) 0.499 13.409 ( 0.726 -0.760 0.005) 1.051 14.605 ( 12.494 2.670 -0.632) 12.792 15.121 ( -0.064 -0.317 0.031) 0.325 15.226 ( 0.211 -0.213 0.419) 0.515 17.077 ( 0.288 -0.233 -0.256) 0.450 17.195 ( -0.362 -0.234 -0.277) 0.512 17.200 ( -0.338 -0.425 0.063) 0.547 17.240 ( -0.808 0.197 -0.407) 0.926 17.288 ( 1.334 0.119 -0.514) 1.434 17.309 ( -1.197 0.685 0.758) 1.573 17.545 ( -1.670 0.289 0.148) 1.701 17.733 ( 0.063 -0.106 0.043) 0.130 19.765 ( 1.830 0.729 0.088) 1.972 20.270 ( -0.066 0.654 0.056) 0.660 20.394 ( 1.411 0.493 0.251) 1.516 20.586 ( 1.271 5.858 -1.643) 6.215 27.163 ( -0.141 -0.313 -0.118) 0.363 27.251 ( 0.539 -0.023 -0.000) 0.540 27.438 ( -0.130 -0.176 0.039) 0.222 27.505 ( 0.004 0.106 -0.128) 0.166 30.328 ( -0.647 0.925 0.082) 1.132 30.573 ( 0.178 0.852 0.085) 0.874 33.131 ( -1.130 -1.396 -0.303) 1.821 33.196 ( 1.210 2.318 0.395) 2.644 33.692 ( -0.189 -4.845 0.615) 4.887 33.831 ( 0.892 6.457 -0.620) 6.548 34.233 ( 0.591 -0.290 1.037) 1.229 34.387 ( -1.095 -1.928 -2.105) 3.057 34.754 ( 0.769 -3.022 1.777) 3.589 35.296 ( -2.326 -0.415 -0.798) 2.494 35.382 ( 0.021 0.217 -0.161) 0.271 35.899 ( -0.990 0.624 0.058) 1.172 39.462 ( 0.380 -5.424 0.060) 5.437 41.445 ( -4.873 -0.131 -1.315) 5.049 45.359 ( 0.085 0.029 -0.013) 0.091 45.400 ( 0.327 0.100 0.033) 0.343 ======================= Grid point 10 (6/115) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.272 ( 15.276 0.000 14.323) 20.940 0.275 ( 19.020 0.000 -1.113) 19.052 0.487 ( 27.639 0.000 22.584) 35.692 1.096 ( 1.219 0.000 -3.811) 4.001 1.556 ( -10.243 -0.000 -7.361) 12.613 1.558 ( -0.584 -0.000 -0.936) 1.104 1.839 ( -0.816 -0.000 0.272) 0.860 1.883 ( 6.539 0.000 4.228) 7.787 1.925 ( -4.719 -0.000 0.017) 4.719 2.018 ( 0.128 0.000 -2.293) 2.297 2.059 ( -6.320 -0.000 3.257) 7.110 2.215 ( -6.155 -0.000 -3.661) 7.162 2.236 ( -4.467 -0.000 -1.795) 4.815 2.256 ( -1.173 -0.000 -2.361) 2.636 2.383 ( 2.644 0.000 0.903) 2.794 2.410 ( 1.947 0.000 1.638) 2.544 2.509 ( 5.030 0.000 2.294) 5.529 2.633 ( 3.178 0.000 -6.148) 6.921 2.676 ( 2.170 0.000 -8.179) 8.462 2.818 ( 1.363 0.000 0.443) 1.433 2.828 ( -1.307 -0.000 -2.728) 3.025 2.998 ( 2.022 0.000 0.809) 2.178 3.101 ( 0.799 0.000 0.272) 0.844 3.204 ( -1.844 -0.000 -3.485) 3.943 3.231 ( -2.700 -0.000 2.717) 3.830 3.315 ( -5.477 -0.000 4.960) 7.390 3.328 ( -0.886 -0.000 5.665) 5.733 3.441 ( -11.088 -0.000 14.186) 18.005 3.460 ( -1.025 -0.000 2.075) 2.314 3.476 ( -2.307 -0.000 0.584) 2.379 3.542 ( -0.752 -0.000 -0.218) 0.783 3.553 ( -0.013 -0.000 -2.128) 2.128 3.751 ( 6.136 0.000 2.159) 6.505 3.815 ( -2.300 -0.000 -0.499) 2.353 3.855 ( 0.723 0.000 1.950) 2.079 3.956 ( 0.259 0.000 -1.352) 1.376 4.068 ( 2.915 0.000 -9.459) 9.898 4.226 ( 0.427 0.000 0.055) 0.430 4.468 ( -1.149 -0.000 -0.639) 1.315 4.474 ( -2.698 -0.000 0.054) 2.699 8.970 ( 31.631 0.000 5.550) 32.114 9.012 ( 2.437 0.000 0.096) 2.438 9.032 ( 25.194 0.000 5.355) 25.757 12.094 ( 4.246 0.000 -25.758) 26.106 12.481 ( -3.461 -0.000 -0.174) 3.465 12.569 ( -2.890 -0.000 0.486) 2.930 12.612 ( 3.475 0.000 0.301) 3.488 12.675 ( 2.918 0.000 -0.376) 2.943 13.427 ( 10.312 0.000 0.290) 10.316 15.058 ( 1.072 0.000 0.067) 1.074 15.099 ( 1.149 0.000 0.232) 1.172 16.167 ( 16.082 0.000 -60.502) 62.603 17.096 ( -0.393 -0.000 0.287) 0.487 17.137 ( 4.615 0.000 -20.412) 20.927 17.156 ( -1.879 -0.000 5.185) 5.515 17.239 ( 0.857 0.000 0.674) 1.090 17.267 ( -0.547 -0.000 -1.048) 1.182 17.341 ( 0.227 0.000 1.234) 1.255 17.690 ( -2.149 -0.000 -0.320) 2.172 17.756 ( -1.601 -0.000 0.477) 1.671 19.753 ( 5.268 0.000 1.767) 5.556 20.384 ( 0.211 0.000 -0.654) 0.687 20.484 ( -0.375 -0.000 -0.164) 0.409 22.962 ( 60.965 0.000 -267.419) 274.280 27.195 ( -1.262 -0.000 -0.393) 1.321 27.224 ( -0.759 -0.000 0.198) 0.784 27.428 ( 0.077 0.000 -0.019) 0.079 27.496 ( 3.763 0.000 -17.785) 18.178 30.425 ( -1.595 -0.000 -0.100) 1.598 30.700 ( 0.308 0.000 -0.495) 0.583 33.101 ( -1.217 -0.000 -0.131) 1.224 33.351 ( 1.131 0.000 1.215) 1.660 33.507 ( 0.741 0.000 -0.290) 0.796 33.955 ( 1.365 0.000 0.685) 1.527 34.017 ( -5.505 -0.000 3.245) 6.390 34.087 ( 1.090 0.000 0.277) 1.125 34.195 ( 2.329 0.000 11.172) 11.412 34.674 ( -0.261 -0.000 0.755) 0.799 35.415 ( 0.024 0.000 0.080) 0.084 35.968 ( -2.413 -0.000 1.224) 2.706 38.683 ( 6.637 0.000 -32.130) 32.808 39.820 ( -0.848 -0.000 1.681) 1.883 45.364 ( 0.224 0.000 -0.102) 0.246 45.500 ( 0.047 0.000 -1.525) 1.525 ======================= Grid point 11 (7/115) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 7.766 -10.982 -2.280) 13.642 0.541 ( 17.943 -5.878 2.109) 18.999 0.952 ( 15.318 -16.725 19.166) 29.693 1.056 ( 2.255 2.213 -3.242) 4.527 1.384 ( 0.416 4.571 -5.515) 7.175 1.639 ( -5.572 -5.276 0.106) 7.674 1.815 ( -3.318 2.851 1.007) 4.489 1.901 ( -6.936 0.544 0.503) 6.975 1.925 ( 1.205 -3.314 -3.041) 4.656 1.996 ( -1.207 1.101 5.038) 5.296 2.018 ( -0.844 0.820 -2.991) 3.214 2.131 ( -3.803 0.929 -0.800) 3.995 2.219 ( -5.602 1.745 1.161) 5.981 2.299 ( -5.067 -5.900 -2.525) 8.177 2.339 ( 3.897 4.031 0.413) 5.622 2.418 ( 2.400 2.271 1.270) 3.540 2.458 ( 5.114 1.847 -3.745) 6.602 2.622 ( 4.878 1.918 -7.497) 9.148 2.678 ( 4.136 0.484 1.164) 4.324 2.818 ( 0.284 -0.128 1.103) 1.146 2.848 ( 1.142 -1.749 -4.034) 4.542 3.008 ( 1.832 1.052 1.727) 2.729 3.125 ( -1.719 1.014 0.957) 2.213 3.165 ( -3.637 0.927 -4.180) 5.617 3.209 ( -3.205 0.894 3.573) 4.883 3.259 ( 0.062 -2.201 1.785) 2.835 3.351 ( 1.159 -0.800 0.419) 1.469 3.404 ( 0.119 -0.484 -3.964) 3.995 3.477 ( -0.499 -1.862 0.592) 2.017 3.522 ( -1.533 -0.258 0.127) 1.559 3.583 ( -11.202 -4.555 16.886) 20.769 3.594 ( -0.618 -2.779 -4.749) 5.537 3.690 ( 1.454 3.683 0.592) 4.003 3.771 ( 3.376 4.565 -1.939) 6.000 3.887 ( -0.429 -3.557 1.449) 3.865 4.016 ( -2.750 -3.644 3.871) 5.986 4.102 ( 0.028 0.306 -2.836) 2.852 4.297 ( -3.876 -4.038 -1.324) 5.752 4.421 ( -4.899 -1.516 -1.849) 5.452 4.533 ( -0.010 -4.481 -0.199) 4.486 8.975 ( 10.265 4.043 1.182) 11.096 9.052 ( 5.660 -0.381 0.749) 5.722 9.309 ( 47.956 7.978 3.437) 48.736 11.933 ( 8.263 12.111 -13.454) 19.899 12.454 ( -3.147 0.224 0.094) 3.157 12.554 ( -2.875 -0.475 0.436) 2.946 12.626 ( 3.473 1.028 0.295) 3.634 12.708 ( 2.391 -1.038 -0.271) 2.621 13.442 ( 15.198 6.156 -0.418) 16.403 15.074 ( 1.315 -0.288 -0.059) 1.347 15.086 ( 6.944 5.064 -4.907) 9.896 15.436 ( 50.535 41.116 -18.715) 67.784 17.073 ( 0.311 0.699 -0.909) 1.188 17.148 ( -0.619 -0.692 -2.169) 2.359 17.181 ( -1.367 -0.621 -1.127) 1.877 17.256 ( 0.814 -0.834 0.265) 1.195 17.290 ( -0.632 -0.840 -2.408) 2.627 17.354 ( -1.631 -0.416 0.622) 1.794 17.656 ( -3.203 1.951 0.088) 3.752 17.727 ( -2.436 0.367 0.491) 2.512 19.799 ( 9.857 0.498 0.957) 9.916 20.367 ( -0.071 1.594 -0.652) 1.724 20.474 ( 0.259 0.976 0.329) 1.062 21.875 ( 54.749 58.078 -64.084) 102.359 27.173 ( -1.418 1.016 -0.606) 1.847 27.230 ( -0.269 -0.937 0.237) 1.003 27.413 ( 0.610 0.068 -0.243) 0.660 27.523 ( -0.633 -0.558 -3.759) 3.852 30.427 ( -0.784 0.133 -0.354) 0.870 30.680 ( -0.288 1.704 0.413) 1.777 33.092 ( -1.499 -0.221 -0.149) 1.522 33.345 ( 1.161 1.740 2.098) 2.962 33.535 ( 2.078 -1.274 -1.636) 2.936 34.001 ( -3.931 -1.948 -0.096) 4.389 34.111 ( 1.042 -2.073 1.003) 2.528 34.243 ( 4.251 -5.183 -5.388) 8.600 34.428 ( -6.748 -6.955 6.445) 11.638 34.938 ( -20.640 -23.680 -5.648) 31.917 35.411 ( 0.075 0.419 -0.122) 0.443 35.977 ( -5.833 -1.293 0.943) 6.049 38.729 ( 3.307 -8.772 -6.764) 11.560 40.716 ( -45.227 -55.974 -16.276) 73.779 45.364 ( 0.311 0.123 -0.117) 0.354 45.457 ( 2.036 2.992 -0.056) 3.619 ======================= Grid point 12 (8/115) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 3.091 -15.384 -6.546) 17.002 0.797 ( 17.474 -7.622 -1.372) 19.113 0.979 ( 3.954 3.104 -1.194) 5.167 1.258 ( 3.490 -4.664 0.364) 5.837 1.496 ( 9.330 -7.459 7.841) 14.289 1.691 ( -5.566 1.095 4.429) 7.197 1.741 ( -0.163 -4.090 1.798) 4.471 1.832 ( -6.004 0.499 -0.962) 6.101 1.909 ( -0.431 4.172 -3.124) 5.230 1.998 ( -4.866 -3.554 2.513) 6.529 2.062 ( -1.108 -5.575 2.695) 6.291 2.125 ( -2.147 0.612 -0.038) 2.233 2.171 ( 1.554 -0.781 0.046) 1.740 2.291 ( -0.616 2.123 -0.582) 2.286 2.374 ( -0.355 -3.825 -4.098) 5.617 2.393 ( 1.247 1.958 -2.419) 3.353 2.446 ( -1.136 1.154 0.957) 1.881 2.561 ( 2.493 5.834 -4.927) 8.032 2.710 ( 3.865 0.642 -1.297) 4.127 2.813 ( -1.317 0.882 0.714) 1.739 2.876 ( 0.120 -1.138 -6.407) 6.509 3.022 ( 2.393 -0.914 1.672) 3.059 3.058 ( -2.773 1.800 -1.748) 3.740 3.143 ( -1.038 -1.214 1.671) 2.312 3.218 ( -0.761 -1.714 1.018) 2.134 3.314 ( 0.465 -2.083 0.159) 2.140 3.366 ( 0.638 0.531 -1.933) 2.104 3.425 ( 0.543 -1.745 -0.478) 1.889 3.471 ( -1.872 3.324 5.466) 6.665 3.530 ( -0.627 -1.823 0.172) 1.935 3.546 ( -1.499 0.098 3.166) 3.505 3.605 ( -6.159 -0.112 4.069) 7.383 3.683 ( 0.051 -0.153 0.258) 0.304 3.756 ( 2.960 -0.481 -3.325) 4.478 3.943 ( -1.126 -2.318 2.299) 3.454 4.049 ( -2.978 -1.153 2.363) 3.972 4.088 ( 0.321 -0.528 -0.984) 1.162 4.276 ( -3.667 0.808 0.648) 3.810 4.450 ( -3.671 -3.518 -3.776) 6.333 4.612 ( 0.059 -3.623 0.015) 3.624 8.999 ( 7.283 0.737 0.491) 7.337 9.112 ( 6.687 -1.044 0.969) 6.837 9.491 ( 45.400 9.211 -0.322) 46.326 11.753 ( 3.251 10.358 -5.916) 12.363 12.430 ( -2.197 0.222 0.284) 2.226 12.544 ( -2.984 -0.636 0.186) 3.056 12.629 ( 3.590 1.345 0.076) 3.835 12.739 ( 1.327 -0.829 -0.117) 1.569 13.451 ( 14.503 4.377 -0.380) 15.154 14.993 ( 22.437 13.268 -9.115) 27.614 15.100 ( 1.434 -0.595 1.070) 1.886 15.268 ( 14.044 8.494 1.526) 16.484 17.067 ( 0.363 0.034 -0.818) 0.896 17.159 ( -0.582 -1.206 -1.592) 2.080 17.179 ( -1.159 -0.325 -0.038) 1.205 17.265 ( -2.142 0.824 -1.843) 2.944 17.280 ( -0.031 -0.519 -0.339) 0.621 17.344 ( -0.647 0.552 1.431) 1.665 17.586 ( -3.125 2.250 0.231) 3.857 17.715 ( -2.169 -0.670 0.228) 2.282 19.856 ( 10.943 2.250 0.762) 11.198 20.328 ( -0.377 2.052 -0.418) 2.128 20.453 ( 1.436 2.003 0.593) 2.535 21.265 ( 18.365 33.014 -18.859) 42.224 27.153 ( -0.249 0.184 -0.610) 0.684 27.246 ( 0.223 -0.610 0.105) 0.658 27.421 ( 0.170 -0.496 0.059) 0.528 27.514 ( -0.626 0.220 -1.184) 1.357 30.401 ( -0.185 1.989 -0.170) 2.005 30.640 ( -0.735 2.193 0.604) 2.391 33.088 ( -1.519 -0.561 -0.272) 1.642 33.315 ( 1.492 2.806 1.427) 3.484 33.574 ( 1.848 -1.540 -0.472) 2.452 34.005 ( -1.550 -0.185 -0.049) 1.562 34.190 ( 1.897 -4.653 2.380) 5.560 34.292 ( -0.349 1.341 -6.744) 6.885 34.521 ( 0.880 -7.085 6.936) 9.954 35.109 ( -14.683 -11.461 -5.133) 19.321 35.401 ( 0.113 0.642 -0.336) 0.734 35.939 ( -4.346 0.876 1.166) 4.584 38.986 ( 1.898 -15.840 -1.783) 16.053 41.118 ( -29.624 -24.012 -8.821) 39.140 45.364 ( 0.328 0.174 -0.087) 0.381 45.428 ( 1.428 1.621 0.083) 2.162 ======================= Grid point 13 (9/115) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 8.624 5.386 -1.645) 10.300 1.077 ( 3.991 -14.106 -2.603) 14.889 1.160 ( 12.813 -12.321 -3.656) 18.148 1.320 ( 2.294 -1.061 -2.140) 3.312 1.573 ( -3.220 7.309 4.104) 8.980 1.663 ( 1.191 -6.411 0.947) 6.589 1.760 ( -5.252 -0.539 2.423) 5.809 1.841 ( 2.224 0.205 -1.818) 2.880 1.949 ( 3.350 -5.916 2.685) 7.310 1.986 ( -8.635 0.013 6.306) 10.693 2.067 ( 2.447 2.409 0.903) 3.550 2.159 ( 0.665 -0.327 -4.877) 4.933 2.222 ( -1.789 2.430 0.701) 3.098 2.268 ( -1.639 -5.374 2.515) 6.156 2.334 ( -0.613 3.224 -3.443) 4.757 2.421 ( -3.610 -0.721 4.090) 5.503 2.454 ( 4.318 0.730 -3.903) 5.866 2.479 ( 3.002 -1.278 -1.908) 3.780 2.672 ( 1.505 4.044 -3.050) 5.284 2.805 ( -2.588 -2.232 -0.012) 3.418 2.836 ( -1.301 3.902 -4.174) 5.860 3.032 ( 1.795 -1.036 -1.996) 2.877 3.100 ( 0.203 -3.421 0.766) 3.511 3.182 ( 0.359 -1.840 2.357) 3.011 3.253 ( -2.368 -1.584 0.352) 2.871 3.280 ( -0.801 2.426 2.373) 3.486 3.369 ( 1.090 -0.819 -2.796) 3.111 3.425 ( -1.929 -0.107 4.040) 4.478 3.467 ( 0.699 0.029 -0.423) 0.817 3.533 ( -0.221 1.228 -0.108) 1.253 3.553 ( -6.561 -0.294 5.373) 8.486 3.573 ( 1.641 -0.388 -0.045) 1.686 3.671 ( 0.214 1.453 -0.259) 1.491 3.773 ( -0.575 -0.654 -2.247) 2.410 3.964 ( 0.804 -0.258 0.663) 1.074 4.064 ( -0.956 -2.291 -0.568) 2.547 4.110 ( -1.029 -1.508 2.145) 2.816 4.254 ( -2.431 -0.648 0.314) 2.535 4.465 ( -1.130 -0.822 -3.242) 3.530 4.666 ( -1.464 -2.575 0.142) 2.965 9.041 ( 4.263 -0.366 0.212) 4.284 9.184 ( 4.222 -1.954 0.495) 4.678 9.614 ( 44.499 12.971 -0.649) 46.355 11.569 ( -3.367 8.238 -2.302) 9.193 12.416 ( -0.899 0.068 0.225) 0.929 12.534 ( -3.234 -0.684 0.026) 3.305 12.630 ( 3.729 1.445 -0.066) 4.000 12.757 ( 0.172 -0.477 -0.021) 0.507 13.480 ( 12.946 3.604 -0.033) 13.439 14.850 ( 9.495 14.582 -4.563) 17.989 15.119 ( 1.016 -0.286 1.312) 1.683 15.231 ( 0.156 1.298 1.704) 2.148 17.072 ( 0.216 -0.319 -0.575) 0.692 17.170 ( -2.115 -0.808 -2.038) 3.046 17.179 ( -1.530 -1.345 1.108) 2.319 17.232 ( -1.104 0.330 -0.697) 1.347 17.294 ( 0.726 -0.428 -0.155) 0.857 17.326 ( -0.531 1.266 1.185) 1.813 17.546 ( -0.212 0.604 -0.221) 0.677 17.717 ( -1.843 -0.918 0.149) 2.064 19.865 ( 9.436 4.894 0.708) 10.654 20.290 ( -0.350 1.559 -0.295) 1.625 20.425 ( 1.129 2.080 0.385) 2.397 20.814 ( 0.170 19.291 -6.079) 20.226 27.159 ( 1.039 -0.404 -0.443) 1.200 27.254 ( 0.012 -0.105 0.050) 0.117 27.431 ( -0.075 -0.443 0.094) 0.459 27.506 ( -0.232 0.091 -0.466) 0.528 30.359 ( 0.517 2.247 -0.085) 2.307 30.595 ( -1.226 1.825 0.444) 2.243 33.093 ( -1.338 -1.217 -0.338) 1.840 33.268 ( 1.594 3.483 0.783) 3.910 33.621 ( 0.722 -2.714 0.369) 2.832 33.961 ( 0.903 5.185 -0.431) 5.280 34.229 ( -1.492 1.050 -1.748) 2.526 34.313 ( 0.928 -5.341 1.063) 5.524 34.683 ( 2.653 -6.474 2.892) 7.571 35.179 ( -9.754 -7.016 -3.604) 12.543 35.390 ( 0.180 0.556 -0.556) 0.807 35.902 ( -1.987 0.610 1.212) 2.406 39.283 ( 1.143 -13.550 -0.211) 13.600 41.268 ( -14.447 -12.009 -3.887) 19.185 45.362 ( 0.234 0.178 -0.042) 0.297 45.413 ( 0.661 0.860 0.030) 1.086 ======================= Grid point 14 (10/115) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 12.234 5.521 -1.929) 13.560 1.281 ( -0.681 -2.721 0.120) 2.807 1.330 ( 0.259 -5.850 0.647) 5.891 1.382 ( -5.875 4.448 2.030) 7.643 1.505 ( 8.688 -2.104 -3.286) 9.524 1.665 ( -0.169 0.597 0.547) 0.827 1.780 ( 2.174 -3.745 1.138) 4.478 1.919 ( 1.093 3.815 2.088) 4.484 1.938 ( -1.577 -2.807 0.362) 3.240 1.984 ( -1.352 -1.220 0.308) 1.847 2.105 ( -2.056 2.481 1.546) 3.574 2.132 ( 3.228 -0.090 -1.184) 3.440 2.173 ( 2.479 -1.119 -3.366) 4.328 2.255 ( -1.839 2.017 -1.184) 2.975 2.322 ( -2.466 -2.350 0.855) 3.512 2.396 ( -0.106 0.764 -0.010) 0.771 2.466 ( 0.558 -1.381 0.307) 1.520 2.562 ( -0.760 -0.372 -0.372) 0.924 2.627 ( 3.536 1.678 -1.038) 4.049 2.749 ( -0.773 3.570 0.741) 3.727 2.865 ( -2.245 -5.755 0.058) 6.178 3.027 ( -0.728 2.922 -1.270) 3.268 3.141 ( -2.157 -1.674 2.085) 3.435 3.209 ( -1.000 -0.258 -0.368) 1.096 3.225 ( 0.205 -1.668 -0.333) 1.713 3.321 ( 3.114 -0.786 0.059) 3.212 3.370 ( -1.310 1.367 -0.873) 2.085 3.414 ( -1.297 -1.952 0.324) 2.366 3.466 ( -2.297 -0.005 2.036) 3.069 3.505 ( 0.240 0.218 0.975) 1.028 3.536 ( -1.863 -0.152 0.324) 1.897 3.565 ( 0.136 2.251 -0.845) 2.408 3.653 ( 1.200 0.433 0.014) 1.276 3.771 ( -3.241 -0.848 -0.041) 3.350 3.979 ( 3.198 0.230 -0.426) 3.235 4.096 ( -1.426 -1.227 0.436) 1.931 4.136 ( 0.833 -1.188 0.180) 1.462 4.252 ( -2.755 -0.844 0.305) 2.897 4.471 ( 1.626 -0.451 -1.783) 2.455 4.684 ( -3.185 -1.126 0.246) 3.388 9.068 ( 2.849 0.438 0.140) 2.886 9.231 ( -0.688 -1.170 -0.091) 1.360 9.649 ( 43.058 17.161 -0.221) 46.352 11.415 ( -9.191 2.314 -0.337) 9.484 12.416 ( 0.455 -0.297 0.071) 0.548 12.524 ( -3.383 -0.909 0.015) 3.503 12.630 ( 3.656 1.370 -0.087) 3.905 12.760 ( -0.788 -0.074 0.012) 0.791 13.494 ( 11.312 4.555 0.137) 12.195 14.576 ( -15.669 10.592 -1.432) 18.967 15.130 ( 0.799 0.113 0.896) 1.206 15.224 ( -0.412 -0.120 0.196) 0.471 17.075 ( -0.385 -0.144 -0.157) 0.440 17.177 ( -1.381 -1.594 -0.919) 2.300 17.199 ( -1.033 -1.399 1.024) 2.018 17.229 ( 0.626 0.019 -0.281) 0.686 17.296 ( -1.051 1.243 0.653) 1.754 17.308 ( 1.148 -0.337 -0.166) 1.208 17.556 ( 3.053 -0.419 -0.459) 3.115 17.720 ( -1.915 -0.747 0.096) 2.058 19.822 ( 5.700 5.363 0.405) 7.837 20.267 ( -0.431 0.469 -0.279) 0.695 20.387 ( -2.450 1.794 -0.489) 3.075 20.567 ( -2.851 4.777 -0.643) 5.600 27.172 ( 1.463 0.053 -0.175) 1.474 27.250 ( -0.762 0.260 0.039) 0.806 27.437 ( 0.003 -0.288 0.026) 0.289 27.504 ( -0.023 0.017 -0.127) 0.130 30.336 ( 1.632 0.863 -0.117) 1.850 30.562 ( -1.668 0.453 0.206) 1.741 33.115 ( -0.902 -2.055 -0.288) 2.263 33.215 ( 1.076 3.177 0.399) 3.378 33.694 ( 0.164 -4.571 0.481) 4.599 33.838 ( 0.314 7.212 -0.517) 7.237 34.216 ( -1.959 -0.829 -2.387) 3.197 34.401 ( 1.909 -2.067 3.764) 4.700 34.778 ( 2.171 -0.997 -0.367) 2.417 35.235 ( -5.132 -5.586 -1.516) 7.736 35.383 ( 0.260 0.224 -0.708) 0.787 35.895 ( 0.077 -0.377 1.058) 1.126 39.467 ( 0.344 -4.829 0.046) 4.841 41.378 ( -3.554 -7.739 -0.911) 8.565 45.360 ( 0.073 0.151 -0.009) 0.168 45.403 ( 0.065 0.490 -0.012) 0.495 ======================= Grid point 15 (11/115) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 10.347 5.324 -4.569) 12.502 1.117 ( -14.925 11.067 8.178) 20.300 1.287 ( 1.143 3.183 -0.031) 3.382 1.389 ( 1.285 2.899 1.173) 3.381 1.554 ( 6.164 -1.018 0.631) 6.279 1.689 ( -1.125 3.496 -0.854) 3.770 1.841 ( 0.238 2.499 -4.354) 5.026 1.879 ( 4.759 0.335 -1.679) 5.057 1.923 ( -2.325 -3.792 2.684) 5.195 2.010 ( -0.295 0.366 0.333) 0.576 2.092 ( 3.100 -2.257 -1.143) 4.001 2.118 ( -1.368 -0.732 -0.013) 1.551 2.216 ( -1.484 -3.199 -0.127) 3.529 2.287 ( 5.308 1.655 -1.729) 5.823 2.354 ( 0.662 -2.463 1.904) 3.183 2.397 ( -0.212 -0.666 -1.480) 1.636 2.467 ( -3.591 6.151 -1.249) 7.231 2.513 ( 1.048 0.081 2.554) 2.762 2.617 ( -0.359 0.020 0.634) 0.729 2.735 ( -0.707 -4.101 2.519) 4.864 2.928 ( -0.886 1.087 -1.208) 1.851 2.959 ( -2.493 -0.972 -0.761) 2.781 3.143 ( 0.030 0.806 0.341) 0.876 3.193 ( -2.333 1.098 0.085) 2.580 3.267 ( 2.214 0.064 -0.762) 2.342 3.314 ( 1.835 -0.680 -1.886) 2.718 3.379 ( -0.981 -0.748 2.831) 3.088 3.423 ( -0.445 2.529 -0.200) 2.576 3.462 ( -1.252 -2.774 -0.163) 3.047 3.500 ( 0.558 2.318 -1.154) 2.649 3.535 ( -0.355 -1.694 0.345) 1.765 3.550 ( -3.157 -2.549 0.273) 4.067 3.661 ( 2.640 0.328 -2.026) 3.344 3.757 ( -4.215 -0.343 2.103) 4.723 3.998 ( 3.776 0.480 -0.249) 3.815 4.087 ( -1.832 0.826 0.817) 2.170 4.155 ( 2.050 0.516 -1.854) 2.812 4.253 ( -2.429 -1.654 0.595) 2.998 4.497 ( 2.371 -0.572 -0.331) 2.461 4.664 ( -3.585 0.452 0.346) 3.630 9.067 ( 2.464 1.592 -0.049) 2.935 9.208 ( -3.291 1.880 0.140) 3.792 9.613 ( 37.169 17.770 -0.471) 41.201 11.359 ( -12.991 -4.609 1.167) 13.834 12.434 ( 1.645 -0.792 -0.067) 1.827 12.520 ( -3.331 -1.268 0.047) 3.565 12.630 ( 3.088 1.319 -0.043) 3.358 12.749 ( -1.276 0.387 0.002) 1.334 13.473 ( 9.731 5.915 0.077) 11.387 14.265 ( -30.486 3.522 -0.074) 30.689 15.129 ( 0.699 0.673 0.397) 1.048 15.215 ( -0.847 0.793 -0.314) 1.202 17.072 ( -0.393 0.234 0.234) 0.514 17.195 ( 0.466 -0.692 -0.932) 1.251 17.211 ( -0.184 0.169 1.917) 1.933 17.240 ( 0.133 -1.071 -0.877) 1.391 17.271 ( -1.374 0.269 0.539) 1.500 17.327 ( 1.182 -0.885 -0.075) 1.478 17.596 ( 4.841 -0.641 -0.445) 4.904 17.717 ( -2.179 -0.621 0.030) 2.266 19.764 ( 1.254 3.334 0.111) 3.563 20.270 ( 0.130 -1.210 -0.421) 1.287 20.346 ( -4.621 -1.129 -0.122) 4.759 20.558 ( -2.211 -4.057 1.287) 4.796 27.177 ( 1.646 0.569 0.032) 1.742 27.235 ( -1.668 0.322 0.022) 1.699 27.440 ( 0.160 0.079 -0.030) 0.181 27.505 ( -0.023 -0.152 0.073) 0.170 30.350 ( 2.010 -0.782 -0.174) 2.163 30.559 ( -1.461 -1.381 0.029) 2.011 33.147 ( 0.899 -0.378 0.150) 0.987 33.180 ( -0.882 -0.381 -0.190) 0.980 33.695 ( 0.353 5.816 -0.486) 5.847 33.819 ( -0.884 -6.652 0.470) 6.727 34.206 ( -1.553 0.371 -2.008) 2.566 34.431 ( 2.210 0.978 4.455) 5.068 34.742 ( 0.056 5.268 -2.710) 5.924 35.309 ( -0.345 -4.321 0.386) 4.352 35.383 ( 0.240 -0.177 -0.670) 0.734 35.919 ( 1.341 -1.507 0.678) 2.128 39.457 ( -0.241 5.954 -0.043) 5.959 41.516 ( 3.702 -7.172 1.034) 8.137 45.358 ( -0.055 0.078 0.010) 0.095 45.394 ( -0.379 0.325 -0.052) 0.502 ======================= Grid point 16 (12/115) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -2.556 8.811 -3.014) 9.657 0.880 ( -3.514 4.299 6.388) 8.464 1.194 ( 4.627 8.891 0.987) 10.071 1.296 ( 1.527 10.890 4.930) 12.051 1.406 ( -8.489 8.546 -6.046) 13.477 1.740 ( 3.933 -5.438 -1.495) 6.876 1.810 ( 1.453 2.390 -0.729) 2.891 1.901 ( 1.423 0.780 0.428) 1.678 1.962 ( 0.470 0.028 -1.769) 1.831 2.003 ( 3.067 -1.556 -2.045) 4.001 2.108 ( -0.954 -0.261 1.620) 1.898 2.192 ( 3.501 3.181 -1.413) 4.937 2.233 ( -2.609 3.379 1.174) 4.428 2.258 ( -1.199 2.605 0.649) 2.940 2.283 ( -2.302 -3.668 0.638) 4.377 2.401 ( -0.041 -1.515 1.018) 1.826 2.446 ( -0.521 -3.784 1.128) 3.983 2.546 ( 4.418 0.775 1.991) 4.907 2.620 ( -3.611 -1.162 -2.050) 4.312 2.836 ( 2.116 -0.765 3.654) 4.291 2.892 ( -2.449 -2.595 -3.242) 4.821 2.968 ( -0.616 0.055 0.425) 0.750 3.123 ( 1.895 1.232 -1.905) 2.956 3.153 ( -1.626 1.008 2.327) 3.012 3.279 ( 1.637 -0.797 -1.053) 2.103 3.327 ( 0.463 1.730 -1.098) 2.101 3.365 ( -0.667 1.257 4.400) 4.625 3.383 ( -1.459 0.998 -3.185) 3.643 3.470 ( 2.385 -0.144 -3.858) 4.538 3.497 ( -2.880 -1.655 3.876) 5.105 3.560 ( 0.323 -0.883 -0.054) 0.942 3.604 ( -2.031 -4.712 -1.126) 5.253 3.662 ( 2.920 1.395 -3.019) 4.426 3.730 ( -3.718 0.470 2.837) 4.701 4.005 ( 2.520 2.070 -0.256) 3.271 4.056 ( -1.587 0.178 0.343) 1.633 4.139 ( 0.917 1.953 -1.002) 2.379 4.287 ( -0.162 -2.776 0.041) 2.781 4.512 ( 0.640 0.251 0.418) 0.804 4.625 ( -1.876 1.487 0.208) 2.402 9.048 ( 1.610 1.981 -0.195) 2.560 9.134 ( -1.259 3.689 0.518) 3.932 9.519 ( 24.488 16.801 -0.811) 29.708 11.378 ( -13.328 -6.816 2.232) 15.135 12.468 ( 2.342 -1.132 -0.149) 2.605 12.522 ( -2.961 -1.468 0.070) 3.306 12.624 ( 1.815 1.242 -0.022) 2.199 12.727 ( -1.051 0.977 0.011) 1.435 13.417 ( 6.309 6.270 -0.039) 8.895 14.028 ( -27.703 -1.582 0.826) 27.761 15.115 ( 0.456 1.286 0.029) 1.365 15.181 ( -1.131 1.937 -0.309) 2.264 17.064 ( -0.211 0.318 0.270) 0.467 17.197 ( 0.463 1.013 -0.356) 1.170 17.207 ( 0.527 0.168 0.858) 1.020 17.255 ( -0.667 -0.844 -0.188) 1.092 17.272 ( -0.537 -0.609 0.170) 0.830 17.356 ( 0.855 -1.288 0.120) 1.550 17.642 ( 3.625 -0.724 -0.269) 3.706 17.718 ( -1.484 -1.118 -0.047) 1.858 19.718 ( -1.145 1.791 0.075) 2.127 20.308 ( 1.514 -1.762 -0.575) 2.393 20.365 ( -3.151 -3.770 0.549) 4.944 20.660 ( -4.627 -8.920 1.853) 10.218 27.181 ( 2.007 0.255 0.108) 2.026 27.217 ( -2.124 0.015 -0.018) 2.124 27.435 ( 0.120 0.589 -0.030) 0.601 27.512 ( -0.004 -0.563 0.153) 0.583 30.384 ( 1.003 -1.450 -0.139) 1.769 30.591 ( -0.553 -2.707 -0.053) 2.763 33.134 ( 0.740 1.280 0.197) 1.492 33.222 ( -0.749 -3.431 -0.332) 3.527 33.600 ( -0.324 3.957 -0.133) 3.972 33.947 ( -0.120 -6.623 0.138) 6.625 34.171 ( -1.175 1.846 -1.034) 2.420 34.429 ( 2.538 1.434 4.676) 5.510 34.589 ( -1.576 9.392 -4.167) 10.395 35.377 ( 1.932 -1.824 0.967) 2.827 35.390 ( 0.110 -0.502 -0.350) 0.622 35.972 ( 1.548 -2.935 0.237) 3.327 39.257 ( -0.406 14.319 0.075) 14.325 41.705 ( 7.229 -8.299 2.125) 11.209 45.357 ( -0.077 -0.035 0.017) 0.086 45.385 ( -0.614 0.274 -0.096) 0.679 ======================= Grid point 17 (13/115) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 0.000 10.306 0.000) 10.306 0.890 ( 0.000 22.731 0.000) 22.731 0.900 ( -0.000 -3.865 -0.000) 3.865 1.134 ( 0.000 17.842 0.000) 17.842 1.242 ( -0.000 -5.062 -0.000) 5.062 1.740 ( 0.000 2.472 0.000) 2.472 1.836 ( -0.000 -3.187 -0.000) 3.187 1.946 ( 0.000 2.528 0.000) 2.528 1.973 ( 0.000 3.701 0.000) 3.701 1.977 ( -0.000 -5.367 -0.000) 5.367 2.108 ( 0.000 3.385 0.000) 3.385 2.141 ( -0.000 -2.650 -0.000) 2.650 2.171 ( 0.000 0.902 0.000) 0.902 2.262 ( -0.000 -1.490 -0.000) 1.490 2.368 ( -0.000 -3.348 -0.000) 3.348 2.405 ( 0.000 3.001 0.000) 3.001 2.506 ( 0.000 2.818 0.000) 2.818 2.515 ( -0.000 -2.682 -0.000) 2.682 2.627 ( -0.000 -0.244 -0.000) 0.244 2.813 ( 0.000 1.760 0.000) 1.760 2.896 ( 0.000 2.107 0.000) 2.107 2.967 ( -0.000 -0.152 -0.000) 0.152 3.130 ( -0.000 -0.919 -0.000) 0.919 3.178 ( -0.000 -3.922 -0.000) 3.922 3.273 ( 0.000 2.686 0.000) 2.686 3.281 ( 0.000 2.082 0.000) 2.082 3.346 ( 0.000 1.189 0.000) 1.189 3.371 ( -0.000 -0.977 -0.000) 0.977 3.486 ( -0.000 -0.507 -0.000) 0.507 3.538 ( -0.000 -1.613 -0.000) 1.613 3.585 ( -0.000 -2.794 -0.000) 2.794 3.621 ( 0.000 1.705 0.000) 1.705 3.685 ( -0.000 -2.358 -0.000) 2.358 3.702 ( 0.000 0.629 0.000) 0.629 3.951 ( 0.000 3.690 0.000) 3.690 4.075 ( -0.000 -2.123 -0.000) 2.123 4.097 ( 0.000 2.721 0.000) 2.721 4.343 ( -0.000 -3.034 -0.000) 3.034 4.505 ( 0.000 0.500 0.000) 0.500 4.583 ( 0.000 2.370 0.000) 2.370 9.017 ( 0.000 1.699 0.000) 1.699 9.067 ( 0.000 3.295 0.000) 3.295 9.315 ( 0.000 15.129 0.000) 15.129 11.426 ( -0.000 -4.362 -0.000) 4.362 12.500 ( -0.000 -0.986 -0.000) 0.986 12.536 ( -0.000 -1.422 -0.000) 1.422 12.611 ( 0.000 0.848 0.000) 0.848 12.699 ( 0.000 1.580 0.000) 1.580 13.334 ( 0.000 4.582 0.000) 4.582 13.956 ( -0.000 -2.704 -0.000) 2.704 15.089 ( 0.000 1.626 0.000) 1.626 15.136 ( 0.000 2.106 0.000) 2.106 17.062 ( -0.000 -0.262 -0.000) 0.262 17.178 ( 0.000 1.020 0.000) 1.020 17.208 ( -0.000 -0.045 -0.000) 0.045 17.267 ( -0.000 -0.629 -0.000) 0.629 17.271 ( 0.000 0.544 0.000) 0.544 17.384 ( -0.000 -1.224 -0.000) 1.224 17.671 ( -0.000 -1.163 -0.000) 1.163 17.738 ( -0.000 -1.358 -0.000) 1.358 19.679 ( 0.000 1.734 0.000) 1.734 20.345 ( -0.000 -1.659 -0.000) 1.659 20.426 ( -0.000 -3.262 -0.000) 3.262 20.826 ( -0.000 -10.718 -0.000) 10.718 27.193 ( -0.000 -0.280 -0.000) 0.280 27.211 ( -0.000 -0.565 -0.000) 0.565 27.421 ( 0.000 0.868 0.000) 0.868 27.526 ( -0.000 -0.926 -0.000) 0.926 30.413 ( -0.000 -1.223 -0.000) 1.223 30.642 ( -0.000 -2.722 -0.000) 2.722 33.120 ( 0.000 0.573 0.000) 0.573 33.280 ( -0.000 -2.889 -0.000) 2.889 33.542 ( 0.000 2.171 0.000) 2.171 34.042 ( -0.000 -3.096 -0.000) 3.096 34.125 ( 0.000 2.201 0.000) 2.201 34.373 ( 0.000 11.229 0.000) 11.229 34.448 ( -0.000 -1.438 -0.000) 1.438 35.401 ( -0.000 -0.599 -0.000) 0.599 35.401 ( 0.000 0.259 0.000) 0.259 36.046 ( -0.000 -3.948 -0.000) 3.948 38.957 ( 0.000 16.317 0.000) 16.317 41.910 ( -0.000 -8.728 -0.000) 8.728 45.359 ( -0.000 -0.131 -0.000) 0.131 45.376 ( 0.000 0.284 0.000) 0.284 ======================= Grid point 20 (14/115) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( 14.845 0.000 14.080) 20.461 0.545 ( 18.302 0.000 -1.533) 18.366 0.945 ( 23.604 0.000 23.051) 32.993 1.107 ( 2.552 0.000 -6.151) 6.659 1.393 ( -7.260 -0.000 -7.727) 10.602 1.540 ( -1.091 -0.000 -2.761) 2.969 1.816 ( -3.464 -0.000 1.329) 3.710 1.841 ( -7.068 -0.000 3.382) 7.835 1.915 ( -5.626 -0.000 -0.668) 5.666 1.979 ( -2.657 -0.000 1.539) 3.070 1.992 ( -2.110 -0.000 -5.249) 5.657 2.088 ( -9.275 -0.000 -3.349) 9.861 2.205 ( -3.237 -0.000 -3.289) 4.614 2.206 ( 1.025 0.000 3.274) 3.430 2.415 ( 0.712 0.000 2.981) 3.065 2.439 ( 1.684 0.000 1.962) 2.586 2.606 ( -1.440 -0.000 -12.067) 12.153 2.632 ( 9.190 0.000 -1.304) 9.282 2.717 ( 3.166 0.000 1.297) 3.421 2.794 ( -1.403 -0.000 -2.569) 2.927 2.851 ( 3.093 0.000 0.272) 3.104 3.045 ( 3.661 0.000 0.994) 3.794 3.120 ( 2.067 0.000 -2.054) 2.914 3.147 ( -2.965 -0.000 -1.603) 3.370 3.192 ( -3.627 -0.000 0.951) 3.749 3.286 ( -9.952 -0.000 12.802) 16.215 3.290 ( -0.833 -0.000 4.820) 4.891 3.365 ( 0.160 0.000 -4.749) 4.751 3.432 ( -4.263 -0.000 2.033) 4.723 3.458 ( 0.020 0.000 2.159) 2.159 3.525 ( -1.745 -0.000 0.077) 1.746 3.549 ( 0.020 0.000 -1.378) 1.378 3.776 ( -2.633 -0.000 -0.034) 2.633 3.832 ( 3.536 0.000 1.704) 3.925 3.877 ( 1.536 0.000 1.716) 2.303 3.947 ( -0.871 -0.000 -1.640) 1.856 4.083 ( 2.529 0.000 -5.781) 6.310 4.236 ( 0.762 0.000 0.616) 0.980 4.423 ( -4.014 -0.000 0.021) 4.014 4.443 ( -1.812 -0.000 -0.948) 2.045 9.053 ( 4.114 0.000 -0.268) 4.123 9.059 ( 3.766 0.000 0.157) 3.769 9.937 ( 59.948 0.000 13.639) 61.480 12.061 ( -0.061 -0.000 -11.159) 11.159 12.433 ( -2.964 -0.000 0.049) 2.964 12.529 ( -2.665 -0.000 0.347) 2.688 12.661 ( 2.946 0.000 0.346) 2.966 12.715 ( 2.615 0.000 -0.168) 2.620 13.679 ( 24.190 0.000 1.750) 24.253 15.079 ( 1.639 0.000 0.111) 1.642 15.121 ( 1.552 0.000 0.408) 1.605 16.207 ( 9.188 0.000 -25.961) 27.539 17.092 ( -0.250 -0.000 0.614) 0.663 17.130 ( 0.605 0.000 -6.349) 6.378 17.153 ( 1.073 0.000 -2.486) 2.708 17.254 ( -0.537 -0.000 -1.041) 1.172 17.255 ( 0.946 0.000 0.609) 1.125 17.347 ( -0.064 -0.000 1.427) 1.428 17.643 ( -3.974 -0.000 -0.815) 4.056 17.725 ( -2.816 -0.000 0.869) 2.947 19.869 ( 9.135 0.000 3.170) 9.669 20.382 ( -0.068 -0.000 -1.323) 1.324 20.477 ( -0.573 -0.000 -0.251) 0.625 22.948 ( 26.447 0.000 -119.303) 122.199 27.168 ( -2.015 -0.000 -0.640) 2.114 27.210 ( -1.237 -0.000 0.305) 1.274 27.430 ( 0.127 0.000 -0.027) 0.130 27.490 ( 1.248 0.000 -7.610) 7.712 30.392 ( -2.584 -0.000 -0.164) 2.590 30.704 ( 0.467 0.000 -0.759) 0.891 33.079 ( -1.550 -0.000 -0.196) 1.562 33.376 ( 1.749 0.000 0.424) 1.800 33.518 ( 0.867 0.000 -0.444) 0.975 33.951 ( -4.443 -0.000 1.518) 4.696 33.989 ( 2.814 0.000 0.757) 2.914 34.109 ( 1.563 0.000 0.678) 1.703 34.264 ( 3.252 0.000 4.646) 5.671 34.671 ( -0.605 -0.000 1.277) 1.413 35.416 ( 0.084 0.000 -0.087) 0.121 35.926 ( -3.908 -0.000 1.776) 4.293 38.668 ( 1.996 0.000 -13.847) 13.990 39.811 ( -1.309 -0.000 2.535) 2.853 45.368 ( 0.378 0.000 -0.143) 0.404 45.494 ( -0.273 -0.000 -0.841) 0.884 ======================= Grid point 21 (15/115) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 15.655 -1.150 3.591) 16.103 0.799 ( 15.658 -5.229 2.321) 16.671 1.083 ( 5.461 2.526 -4.405) 7.457 1.193 ( 4.346 -4.532 9.953) 11.768 1.439 ( 11.040 -8.536 2.763) 14.226 1.562 ( -5.129 -4.363 -1.002) 6.807 1.746 ( -6.936 2.862 0.786) 7.544 1.781 ( -7.530 0.037 2.575) 7.958 1.923 ( -0.675 -2.731 -0.134) 2.817 1.963 ( -4.538 -1.784 -3.144) 5.802 1.990 ( -4.244 3.674 -3.163) 6.444 2.022 ( -7.473 -5.298 0.687) 9.186 2.180 ( 0.197 0.253 -0.092) 0.334 2.254 ( -0.257 -3.703 0.342) 3.728 2.380 ( 1.271 3.839 1.498) 4.312 2.437 ( 0.016 1.541 0.591) 1.650 2.512 ( 2.801 4.143 -5.677) 7.565 2.658 ( 3.260 3.218 -5.226) 6.949 2.738 ( 3.675 -0.296 -0.475) 3.717 2.808 ( -0.355 -0.695 -3.036) 3.135 2.876 ( 3.007 0.145 0.272) 3.022 3.041 ( 1.491 2.602 2.214) 3.728 3.086 ( -2.116 1.816 -4.362) 5.177 3.126 ( -1.888 1.167 2.955) 3.696 3.193 ( -0.129 -1.768 1.615) 2.398 3.264 ( 0.445 -3.280 0.368) 3.331 3.365 ( 0.701 -0.816 -0.212) 1.096 3.379 ( -1.627 -3.570 -1.971) 4.390 3.433 ( -9.824 -3.263 8.468) 13.374 3.483 ( 0.059 -1.794 2.401) 2.998 3.520 ( -1.765 -2.242 0.498) 2.897 3.572 ( -1.587 -0.414 -0.888) 1.865 3.701 ( -0.171 3.427 0.734) 3.509 3.818 ( 3.300 4.149 -1.417) 5.488 3.887 ( -0.224 -2.657 1.657) 3.139 3.985 ( -2.986 -2.748 2.020) 4.533 4.105 ( 1.683 0.306 -2.965) 3.423 4.254 ( -2.223 -0.737 -0.869) 2.498 4.357 ( -2.995 -0.879 -1.146) 3.325 4.523 ( -1.014 -5.653 -0.315) 5.752 9.058 ( 4.516 1.145 -0.089) 4.660 9.120 ( 3.546 -1.848 0.470) 4.027 10.206 ( 57.026 14.695 7.733) 59.395 11.949 ( 0.464 8.987 -7.367) 11.630 12.414 ( -2.290 -0.108 0.192) 2.301 12.515 ( -2.424 -0.361 0.245) 2.463 12.674 ( 2.849 0.751 0.285) 2.960 12.737 ( 1.666 -0.436 -0.138) 1.728 13.765 ( 28.729 10.413 1.034) 30.576 15.095 ( 1.553 -0.316 0.333) 1.620 15.128 ( 2.031 0.469 -0.990) 2.307 15.878 ( 20.313 29.621 -13.298) 38.299 17.073 ( 0.049 0.853 -0.567) 1.025 17.132 ( -0.449 -0.811 -2.278) 2.460 17.169 ( 0.075 -0.232 -1.634) 1.652 17.256 ( -1.957 0.169 -1.414) 2.421 17.270 ( 0.724 -0.691 0.360) 1.063 17.348 ( -0.517 0.040 1.298) 1.397 17.603 ( -3.580 1.286 -0.666) 3.862 17.688 ( -3.064 0.501 0.691) 3.180 19.962 ( 11.372 -0.716 2.691) 11.708 20.359 ( -0.692 1.680 -1.226) 2.191 20.485 ( 1.020 -0.469 0.590) 1.268 22.240 ( 24.309 55.609 -51.703) 79.727 27.154 ( -0.742 0.121 -0.929) 1.195 27.219 ( -1.299 -1.656 0.337) 2.132 27.423 ( 0.842 0.314 -0.101) 0.904 27.499 ( -0.940 -0.733 -2.942) 3.175 30.406 ( -1.579 -1.553 -0.697) 2.322 30.678 ( -0.118 2.343 0.262) 2.360 33.070 ( -1.442 -0.226 -0.122) 1.464 33.369 ( 1.087 1.738 1.892) 2.790 33.559 ( 1.928 -1.989 -1.825) 3.317 33.949 ( -3.077 -2.657 -0.154) 4.069 34.132 ( 1.294 -1.870 1.036) 2.499 34.250 ( -1.786 -10.736 -4.587) 11.811 34.381 ( -0.559 -8.887 5.574) 10.506 34.736 ( -7.301 -10.130 -1.598) 12.589 35.412 ( 0.098 0.429 -0.156) 0.467 35.909 ( -4.354 -0.645 1.613) 4.688 38.746 ( 1.878 -9.649 -5.489) 11.259 40.257 ( -17.614 -38.444 -4.344) 42.509 45.369 ( 0.385 0.133 -0.118) 0.425 45.470 ( 0.358 1.824 -0.361) 1.893 ======================= Grid point 22 (16/115) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 12.174 -8.275 2.397) 14.914 1.035 ( 10.957 -8.030 -1.202) 13.638 1.067 ( 12.665 1.704 -4.225) 13.460 1.286 ( 0.416 -3.105 -3.783) 4.912 1.545 ( -3.929 -4.439 3.100) 6.689 1.676 ( -3.067 4.118 5.067) 7.214 1.705 ( -3.216 -1.751 1.394) 3.918 1.827 ( 3.453 -9.419 7.791) 12.702 1.864 ( -3.726 -0.872 -1.214) 4.014 1.940 ( -2.905 -0.035 -1.362) 3.208 2.014 ( -5.202 -5.406 0.066) 7.502 2.078 ( -3.246 -3.558 0.604) 4.854 2.213 ( 3.625 -2.024 1.026) 4.277 2.309 ( 2.807 3.173 -1.543) 4.509 2.335 ( -3.261 -3.473 -1.819) 5.100 2.394 ( -0.586 2.861 0.513) 2.965 2.464 ( 3.071 1.974 -2.672) 4.524 2.578 ( 1.825 5.691 -3.876) 7.123 2.746 ( 0.867 3.176 -2.860) 4.361 2.773 ( -0.867 1.147 -4.038) 4.287 2.880 ( 1.349 0.983 0.779) 1.842 3.012 ( -2.509 -0.193 -1.978) 3.201 3.073 ( 3.943 -0.533 -0.559) 4.018 3.135 ( -1.368 -2.627 3.368) 4.485 3.226 ( 1.529 -1.136 -0.804) 2.068 3.313 ( -1.330 0.404 1.282) 1.891 3.358 ( -0.787 -0.160 -1.364) 1.583 3.402 ( -3.523 -0.827 2.941) 4.664 3.467 ( -2.946 -4.055 4.381) 6.656 3.495 ( -3.442 1.436 1.287) 3.945 3.541 ( -0.473 0.334 1.486) 1.595 3.551 ( 0.290 -2.049 0.427) 2.113 3.677 ( -1.084 -0.182 -0.537) 1.224 3.794 ( 3.224 2.029 -2.225) 4.412 3.935 ( -0.800 -2.773 1.724) 3.362 4.003 ( -3.881 -2.385 1.135) 4.694 4.098 ( 1.400 0.467 -0.870) 1.713 4.229 ( -3.028 0.067 0.457) 3.063 4.401 ( -1.222 -4.025 -2.866) 5.090 4.601 ( -1.284 -3.310 0.105) 3.551 9.078 ( 4.643 0.421 0.071) 4.662 9.174 ( 1.905 -1.632 0.595) 2.578 10.334 ( 56.980 16.501 2.385) 59.369 11.729 ( -3.439 12.278 -4.064) 13.383 12.406 ( -1.241 -0.353 0.264) 1.317 12.505 ( -2.287 -0.274 0.065) 2.304 12.679 ( 3.077 1.024 0.101) 3.245 12.751 ( 0.227 -0.235 -0.092) 0.339 13.766 ( 28.293 11.103 0.240) 30.394 15.100 ( 2.793 2.593 -2.893) 4.785 15.135 ( 1.948 0.510 -0.401) 2.053 15.450 ( 4.811 25.277 -1.757) 25.791 17.066 ( -0.217 -0.243 -0.574) 0.661 17.140 ( -3.199 0.727 -2.521) 4.137 17.148 ( -1.277 -0.903 0.150) 1.572 17.234 ( 0.217 0.293 0.233) 0.432 17.288 ( 0.568 -0.658 0.094) 0.874 17.340 ( -1.045 0.547 0.986) 1.537 17.562 ( -0.004 0.987 -0.644) 1.178 17.676 ( -3.238 -1.252 0.304) 3.485 20.037 ( 12.328 2.936 1.900) 12.814 20.316 ( -1.184 1.805 -0.862) 2.325 20.493 ( 3.916 2.136 1.352) 4.661 21.349 ( 1.650 41.759 -16.708) 45.008 27.159 ( 1.376 -0.529 -0.779) 1.668 27.239 ( -1.155 -1.207 0.200) 1.682 27.427 ( 0.500 -0.026 0.107) 0.512 27.498 ( -0.949 -0.479 -0.988) 1.451 30.403 ( 0.508 1.250 -0.599) 1.476 30.626 ( -1.284 2.621 0.727) 3.008 33.067 ( -1.156 -0.578 -0.185) 1.306 33.339 ( 1.174 2.632 1.190) 3.118 33.598 ( 1.516 -1.039 -0.444) 1.891 33.984 ( -1.182 -2.252 -0.355) 2.568 34.213 ( 1.149 -4.673 -0.812) 4.880 34.280 ( -0.355 2.771 0.531) 2.843 34.560 ( 2.539 -9.027 2.951) 9.831 34.892 ( -12.058 -12.974 -4.272) 18.220 35.402 ( 0.122 0.650 -0.253) 0.708 35.891 ( -2.871 -0.201 1.449) 3.222 39.006 ( 1.467 -15.897 -1.443) 16.030 40.753 ( -17.070 -28.718 -4.371) 33.693 45.368 ( 0.302 0.223 -0.066) 0.381 45.441 ( 0.487 1.567 -0.094) 1.643 ======================= Grid point 23 (17/115) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 11.916 2.470 -0.554) 12.182 1.143 ( 5.853 -7.739 -1.785) 9.866 1.268 ( -0.978 -2.870 0.067) 3.032 1.390 ( 8.499 -7.219 -3.643) 11.731 1.515 ( -3.610 4.614 4.024) 7.107 1.660 ( -1.593 -4.911 -1.136) 5.287 1.723 ( -1.006 -1.657 2.020) 2.800 1.870 ( -7.425 0.675 3.836) 8.385 1.892 ( 4.846 -4.633 -2.906) 7.307 2.023 ( 3.603 -1.213 0.772) 3.879 2.087 ( -5.467 -4.154 0.690) 6.900 2.113 ( 1.211 -3.452 2.599) 4.487 2.231 ( 2.393 5.007 -2.654) 6.152 2.259 ( -0.688 -0.362 1.477) 1.669 2.296 ( -2.680 5.482 -1.699) 6.334 2.377 ( -4.366 -3.177 2.313) 5.874 2.487 ( 1.208 3.787 -1.528) 4.259 2.526 ( 3.415 -3.929 -1.263) 5.357 2.693 ( 2.885 1.956 -3.746) 5.117 2.740 ( -2.424 0.383 -2.470) 3.482 2.862 ( 2.591 2.287 2.713) 4.393 3.010 ( -2.859 -1.848 -3.068) 4.583 3.114 ( 0.494 0.048 0.957) 1.078 3.186 ( -2.012 -1.942 1.407) 3.130 3.226 ( 1.236 1.056 0.826) 1.824 3.292 ( 0.910 -2.079 -0.172) 2.276 3.375 ( 0.710 -0.607 -1.687) 1.928 3.403 ( -2.480 -0.984 3.183) 4.153 3.425 ( -6.002 1.252 1.357) 6.280 3.504 ( -1.153 -0.751 2.256) 2.642 3.531 ( -0.030 0.674 -0.552) 0.872 3.603 ( 2.357 -0.671 0.419) 2.486 3.668 ( -0.625 0.375 -0.229) 0.764 3.753 ( -1.060 2.016 -1.205) 2.576 3.985 ( 1.417 -1.937 0.178) 2.406 4.041 ( -1.713 -3.287 0.057) 3.707 4.114 ( 0.743 -1.342 0.554) 1.631 4.216 ( -2.563 -0.580 0.197) 2.636 4.456 ( 1.082 -2.389 -2.172) 3.405 4.631 ( -2.710 -1.683 0.338) 3.207 9.104 ( 4.272 0.430 0.216) 4.299 9.206 ( -0.766 -1.085 0.158) 1.337 10.415 ( 56.004 20.256 0.391) 59.556 11.435 ( -14.702 10.516 -1.600) 18.146 12.410 ( -0.021 -0.613 0.174) 0.638 12.492 ( -2.242 -0.201 -0.038) 2.252 12.681 ( 3.185 1.261 -0.051) 3.425 12.750 ( -1.054 -0.121 0.005) 1.061 13.768 ( 26.346 10.224 0.323) 28.263 14.775 ( -16.919 24.655 -3.655) 30.124 15.138 ( 0.658 -0.010 1.181) 1.352 15.220 ( -1.431 0.687 1.048) 1.902 17.069 ( -0.341 -0.082 -0.339) 0.488 17.115 ( -3.233 -2.187 -0.521) 3.938 17.168 ( -0.399 -1.358 -0.258) 1.439 17.241 ( 1.536 0.135 0.389) 1.591 17.301 ( 0.189 -0.227 0.022) 0.296 17.317 ( -0.994 0.896 0.478) 1.421 17.569 ( 3.154 -0.527 -0.652) 3.263 17.680 ( -3.216 -1.440 0.241) 3.532 20.028 ( 11.578 7.880 1.402) 14.075 20.276 ( -1.612 1.193 -0.728) 2.133 20.453 ( 3.098 5.728 0.734) 6.554 20.718 ( -9.872 18.304 -4.682) 21.317 27.182 ( 2.186 -0.424 -0.427) 2.267 27.245 ( -1.277 -0.244 0.127) 1.306 27.431 ( 0.049 -0.272 0.070) 0.285 27.501 ( -0.242 -0.331 -0.314) 0.517 30.378 ( 1.780 1.896 -0.325) 2.621 30.570 ( -2.040 1.980 0.485) 2.884 33.076 ( -0.774 -1.269 -0.197) 1.499 33.290 ( 1.016 3.582 0.507) 3.757 33.631 ( 0.431 -2.181 0.240) 2.236 33.972 ( 0.707 4.697 -0.332) 4.761 34.184 ( -2.145 0.947 -2.569) 3.478 34.355 ( 1.964 -4.975 3.870) 6.602 34.739 ( 4.273 -5.976 0.760) 7.386 35.022 ( -9.410 -10.544 -3.239) 14.498 35.391 ( 0.150 0.543 -0.347) 0.662 35.886 ( -0.895 -0.542 1.151) 1.555 39.297 ( 0.736 -13.186 -0.137) 13.208 41.091 ( -7.929 -18.467 -2.003) 20.197 45.365 ( 0.154 0.262 -0.023) 0.305 45.419 ( 0.216 1.062 -0.025) 1.084 ======================= Grid point 24 (18/115) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 14.284 5.551 -3.305) 15.677 1.210 ( -12.594 10.550 4.836) 17.126 1.279 ( -0.026 -4.464 -0.314) 4.475 1.385 ( 1.726 -5.643 -0.457) 5.919 1.557 ( 0.649 2.704 -0.376) 2.806 1.735 ( 7.468 -2.909 -1.896) 8.236 1.815 ( 0.953 -6.253 -0.147) 6.327 1.877 ( -5.162 -6.345 3.049) 8.729 1.949 ( 1.895 7.623 0.063) 7.855 1.987 ( -0.043 2.584 0.252) 2.596 2.087 ( -0.186 -0.853 0.431) 0.974 2.147 ( 0.442 3.596 -0.046) 3.623 2.185 ( -3.200 1.539 -2.600) 4.401 2.249 ( 4.580 -5.907 -0.699) 7.507 2.298 ( -1.685 -4.756 0.324) 5.056 2.391 ( -0.718 -1.166 0.444) 1.440 2.484 ( 1.294 -1.064 -0.816) 1.864 2.543 ( -1.545 2.711 0.801) 3.222 2.667 ( 3.524 2.582 -4.855) 6.531 2.708 ( -4.446 1.796 4.831) 6.807 2.883 ( 2.413 -1.798 1.384) 3.312 2.988 ( -2.484 2.572 -1.983) 4.089 3.110 ( -2.054 -3.057 0.865) 3.783 3.178 ( -1.141 -0.103 0.136) 1.153 3.273 ( 4.408 -0.920 -1.512) 4.750 3.331 ( -3.799 -0.138 1.231) 3.996 3.364 ( 2.294 0.520 -0.485) 2.402 3.403 ( 0.396 -2.483 -1.056) 2.727 3.430 ( -3.480 -1.977 2.671) 4.812 3.508 ( -0.156 -0.091 1.095) 1.110 3.514 ( -0.492 0.289 -1.199) 1.328 3.569 ( 0.243 4.027 -0.284) 4.045 3.679 ( 2.349 -0.367 -0.067) 2.379 3.722 ( -3.214 -0.210 0.146) 3.224 4.023 ( 2.415 -0.648 -0.465) 2.543 4.074 ( -1.571 -1.025 0.612) 1.973 4.158 ( 2.032 -1.973 -0.445) 2.867 4.206 ( -3.095 -0.491 0.321) 3.150 4.502 ( 2.448 -1.235 -0.970) 2.908 4.633 ( -2.986 -0.856 0.365) 3.128 9.118 ( 3.249 1.323 0.167) 3.512 9.201 ( -2.582 0.143 -0.130) 2.589 10.335 ( 39.634 27.130 -0.202) 48.030 11.198 ( -18.131 -0.556 0.021) 18.140 12.429 ( 0.968 -0.942 0.043) 1.352 12.482 ( -2.004 -0.472 -0.015) 2.059 12.676 ( 2.260 1.446 -0.054) 2.683 12.743 ( -1.237 -0.036 0.022) 1.238 13.760 ( 25.224 11.438 0.418) 27.699 14.201 ( -31.529 13.964 -0.960) 34.496 15.143 ( 0.500 0.212 0.439) 0.699 15.218 ( -0.340 -0.052 0.010) 0.344 17.069 ( -0.253 -0.229 -0.020) 0.341 17.157 ( -0.788 -3.204 -0.214) 3.307 17.189 ( -0.342 -1.199 0.119) 1.253 17.247 ( 1.247 0.383 0.200) 1.320 17.279 ( -1.186 1.322 0.087) 1.778 17.319 ( 0.385 -0.603 0.021) 0.716 17.615 ( 4.635 -1.158 -0.466) 4.800 17.679 ( -3.664 -1.028 0.234) 3.813 19.913 ( 5.019 10.148 0.417) 11.329 20.248 ( -1.931 -0.074 -0.538) 2.006 20.335 ( -2.697 3.630 -0.312) 4.533 20.529 ( -1.408 1.379 0.062) 1.971 27.199 ( 2.055 0.246 -0.149) 2.075 27.231 ( -1.694 0.490 0.087) 1.766 27.438 ( 0.031 -0.361 0.008) 0.362 27.504 ( -0.016 -0.059 -0.054) 0.082 30.364 ( 1.600 0.786 -0.132) 1.788 30.535 ( -1.517 0.219 0.152) 1.540 33.105 ( -0.340 -2.275 -0.116) 2.303 33.228 ( 0.436 3.536 0.168) 3.567 33.698 ( 0.160 -4.812 0.185) 4.819 33.839 ( -0.016 8.187 -0.209) 8.189 34.185 ( -0.984 -1.266 -1.201) 2.003 34.438 ( 1.017 -2.036 2.380) 3.292 34.809 ( 1.789 1.098 -0.636) 2.193 35.161 ( -3.199 -9.615 -0.909) 10.174 35.384 ( 0.119 0.216 -0.309) 0.395 35.901 ( 0.209 -1.174 0.618) 1.343 39.471 ( 0.138 -4.447 0.016) 4.449 41.340 ( -1.228 -12.388 -0.301) 12.452 45.361 ( 0.028 0.231 -0.003) 0.232 45.403 ( -0.027 0.721 -0.014) 0.722 ======================= Grid point 25 (19/115) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 14.207 0.000) 14.207 0.961 ( 0.000 5.142 0.000) 5.142 1.302 ( 0.000 2.695 0.000) 2.695 1.397 ( 0.000 2.149 0.000) 2.149 1.620 ( -0.000 -7.197 -0.000) 7.197 1.663 ( 0.000 15.717 0.000) 15.717 1.856 ( 0.000 1.787 0.000) 1.787 1.879 ( -0.000 -4.951 -0.000) 4.951 1.916 ( -0.000 -0.015 -0.000) 0.015 2.025 ( -0.000 -1.489 -0.000) 1.489 2.106 ( -0.000 -1.093 -0.000) 1.093 2.118 ( -0.000 -4.333 -0.000) 4.333 2.187 ( -0.000 -1.733 -0.000) 1.733 2.357 ( 0.000 2.401 0.000) 2.401 2.364 ( -0.000 -1.454 -0.000) 1.454 2.384 ( -0.000 -0.834 -0.000) 0.834 2.424 ( 0.000 7.857 0.000) 7.857 2.528 ( -0.000 -3.757 -0.000) 3.757 2.610 ( 0.000 2.753 0.000) 2.753 2.732 ( -0.000 -6.382 -0.000) 6.382 2.912 ( 0.000 3.482 0.000) 3.482 2.941 ( -0.000 -2.842 -0.000) 2.842 3.151 ( 0.000 0.086 0.000) 0.086 3.166 ( 0.000 0.785 0.000) 0.785 3.292 ( 0.000 1.643 0.000) 1.643 3.319 ( -0.000 -2.261 -0.000) 2.261 3.375 ( -0.000 -0.571 -0.000) 0.571 3.419 ( 0.000 2.477 0.000) 2.477 3.456 ( -0.000 -1.810 -0.000) 1.810 3.498 ( 0.000 1.326 0.000) 1.326 3.519 ( -0.000 -1.683 -0.000) 1.683 3.536 ( -0.000 -1.646 -0.000) 1.646 3.694 ( 0.000 0.643 0.000) 0.643 3.711 ( -0.000 -0.684 -0.000) 0.684 4.042 ( -0.000 -0.206 -0.000) 0.206 4.060 ( 0.000 1.488 0.000) 1.488 4.174 ( 0.000 1.387 0.000) 1.387 4.227 ( -0.000 -3.259 -0.000) 3.259 4.522 ( 0.000 0.068 0.000) 0.068 4.630 ( -0.000 -0.011 -0.000) 0.011 9.096 ( 0.000 2.209 0.000) 2.209 9.173 ( 0.000 1.647 0.000) 1.647 9.995 ( 0.000 23.052 0.000) 23.052 11.206 ( -0.000 -5.991 -0.000) 5.991 12.456 ( -0.000 -1.236 -0.000) 1.236 12.486 ( -0.000 -0.975 -0.000) 0.975 12.657 ( 0.000 1.459 0.000) 1.459 12.736 ( 0.000 0.336 0.000) 0.336 13.635 ( 0.000 12.766 0.000) 12.766 13.921 ( 0.000 1.758 0.000) 1.758 15.137 ( 0.000 0.734 0.000) 0.734 15.207 ( 0.000 1.140 0.000) 1.140 17.069 ( 0.000 0.202 0.000) 0.202 17.202 ( -0.000 -1.384 -0.000) 1.384 17.205 ( -0.000 -0.515 -0.000) 0.515 17.250 ( 0.000 0.825 0.000) 0.825 17.253 ( -0.000 -0.649 -0.000) 0.649 17.336 ( -0.000 -1.065 -0.000) 1.065 17.656 ( 0.000 0.125 0.000) 0.125 17.679 ( -0.000 -1.816 -0.000) 1.816 19.779 ( 0.000 5.364 0.000) 5.364 20.271 ( -0.000 -3.311 -0.000) 3.311 20.300 ( -0.000 -0.101 -0.000) 0.101 20.544 ( -0.000 -3.022 -0.000) 3.022 27.205 ( 0.000 0.877 0.000) 0.877 27.207 ( 0.000 0.225 0.000) 0.225 27.442 ( 0.000 0.041 0.000) 0.041 27.505 ( -0.000 -0.161 -0.000) 0.161 30.369 ( -0.000 -0.576 -0.000) 0.576 30.544 ( -0.000 -1.735 -0.000) 1.735 33.155 ( -0.000 -3.200 -0.000) 3.200 33.172 ( 0.000 2.501 0.000) 2.501 33.697 ( 0.000 6.495 0.000) 6.495 33.813 ( -0.000 -7.063 -0.000) 7.063 34.189 ( 0.000 0.428 0.000) 0.428 34.457 ( 0.000 0.364 0.000) 0.364 34.738 ( 0.000 6.579 0.000) 6.579 35.305 ( -0.000 -6.303 -0.000) 6.303 35.383 ( -0.000 -0.171 -0.000) 0.171 35.932 ( -0.000 -1.926 -0.000) 1.926 39.455 ( 0.000 6.164 0.000) 6.164 41.547 ( -0.000 -10.248 -0.000) 10.248 45.358 ( 0.000 0.118 0.000) 0.118 45.391 ( 0.000 0.526 0.000) 0.526 ======================= Grid point 30 (20/115) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 14.102 0.000 -2.527) 14.326 0.794 ( 13.189 0.000 13.064) 18.564 1.130 ( 3.324 0.000 -5.733) 6.627 1.192 ( -0.901 -0.000 11.248) 11.284 1.438 ( 17.851 0.000 3.387) 18.170 1.499 ( -2.861 -0.000 -6.150) 6.783 1.697 ( -13.377 -0.000 2.606) 13.629 1.760 ( -5.374 -0.000 4.421) 6.959 1.836 ( -2.324 -0.000 -3.525) 4.222 1.882 ( -10.022 -0.000 -2.487) 10.326 1.970 ( 1.223 0.000 0.894) 1.515 1.994 ( -1.502 -0.000 -4.589) 4.829 2.156 ( -2.231 -0.000 -1.884) 2.920 2.265 ( 3.977 0.000 3.762) 5.475 2.414 ( -3.024 -0.000 2.599) 3.988 2.459 ( 0.374 0.000 0.285) 0.470 2.522 ( -4.809 -0.000 -8.330) 9.618 2.706 ( 1.736 0.000 -4.642) 4.956 2.751 ( 1.189 0.000 -1.112) 1.628 2.809 ( 3.861 0.000 1.469) 4.131 2.912 ( 5.162 0.000 -0.327) 5.172 3.078 ( 0.417 0.000 -1.429) 1.488 3.127 ( 1.390 0.000 -0.377) 1.440 3.131 ( -5.313 -0.000 3.798) 6.531 3.177 ( 5.857 0.000 -0.474) 5.876 3.192 ( -6.017 -0.000 3.604) 7.014 3.302 ( 0.479 0.000 2.163) 2.215 3.364 ( 0.512 0.000 -1.786) 1.858 3.373 ( -4.572 -0.000 2.420) 5.173 3.474 ( 0.971 0.000 2.359) 2.551 3.489 ( -3.264 -0.000 0.437) 3.293 3.541 ( -0.233 -0.000 -2.252) 2.264 3.744 ( -1.782 -0.000 0.683) 1.908 3.859 ( 0.104 0.000 1.091) 1.096 3.913 ( 2.099 0.000 1.432) 2.541 3.922 ( -1.633 -0.000 -1.175) 2.011 4.100 ( 1.948 0.000 -4.113) 4.551 4.252 ( 1.047 0.000 1.353) 1.710 4.364 ( -3.692 -0.000 -0.580) 3.737 4.414 ( -1.583 -0.000 -0.753) 1.753 9.111 ( 3.596 0.000 -0.219) 3.603 9.114 ( 3.349 0.000 0.149) 3.352 10.676 ( 33.977 0.000 8.955) 35.137 12.023 ( -1.113 -0.000 -5.392) 5.505 12.397 ( -1.905 -0.000 0.117) 1.908 12.496 ( -1.858 -0.000 0.167) 1.865 12.698 ( 1.889 0.000 0.258) 1.906 12.747 ( 1.721 0.000 -0.028) 1.722 14.114 ( 31.181 0.000 3.331) 31.358 15.102 ( 1.439 0.000 0.105) 1.443 15.142 ( 0.831 0.000 0.468) 0.953 16.252 ( 5.579 0.000 -12.332) 13.535 17.095 ( 0.445 0.000 0.799) 0.915 17.118 ( -0.206 -0.000 -2.311) 2.320 17.166 ( 1.938 0.000 -3.328) 3.851 17.249 ( 0.278 0.000 -0.393) 0.482 17.269 ( 0.662 0.000 0.329) 0.740 17.344 ( -1.137 -0.000 0.919) 1.462 17.574 ( -4.524 -0.000 -1.245) 4.692 17.684 ( -2.991 -0.000 0.972) 3.145 20.026 ( 10.111 0.000 3.803) 10.802 20.368 ( -1.265 -0.000 -1.987) 2.356 20.468 ( -0.501 -0.000 -0.221) 0.548 22.933 ( 12.884 0.000 -59.626) 61.002 27.136 ( -1.872 -0.000 -0.606) 1.967 27.192 ( -1.163 -0.000 0.271) 1.194 27.432 ( 0.121 0.000 -0.023) 0.123 27.483 ( 0.407 0.000 -3.632) 3.655 30.354 ( -2.425 -0.000 -0.156) 2.430 30.708 ( 0.406 0.000 -0.668) 0.782 33.058 ( -1.167 -0.000 -0.168) 1.179 33.401 ( 1.395 0.000 0.146) 1.402 33.527 ( 0.526 0.000 -0.375) 0.646 33.901 ( -2.834 -0.000 0.660) 2.910 34.036 ( 3.187 0.000 0.193) 3.193 34.134 ( 1.359 0.000 0.991) 1.681 34.318 ( 2.358 0.000 2.277) 3.278 34.665 ( -0.829 -0.000 1.280) 1.525 35.416 ( 0.080 0.000 -0.110) 0.136 35.873 ( -3.668 -0.000 1.446) 3.943 38.651 ( 0.475 0.000 -6.657) 6.674 39.801 ( -1.159 -0.000 2.188) 2.476 45.373 ( 0.367 0.000 -0.111) 0.383 45.487 ( -0.294 -0.000 -0.507) 0.586 ======================= Grid point 31 (21/115) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 16.389 -1.086 3.306) 16.754 0.985 ( 7.244 -5.430 5.145) 10.413 1.145 ( 2.699 0.314 -3.642) 4.544 1.236 ( 4.199 -2.427 -1.632) 5.117 1.454 ( -6.606 -0.587 -3.203) 7.365 1.614 ( -7.465 -3.141 0.650) 8.125 1.671 ( 9.634 -8.292 9.123) 15.646 1.733 ( -1.425 0.349 3.623) 3.908 1.823 ( -10.933 0.266 2.467) 11.212 1.882 ( -5.061 -4.198 -4.761) 8.118 1.934 ( 1.463 -0.795 -1.677) 2.363 1.991 ( -0.049 0.717 -1.465) 1.632 2.189 ( 1.181 -4.329 -1.047) 4.608 2.277 ( 2.354 1.051 1.490) 2.977 2.394 ( 0.073 0.824 1.268) 1.514 2.435 ( -0.106 2.143 -0.728) 2.266 2.484 ( -3.787 -0.485 -4.140) 5.631 2.671 ( 0.347 3.512 -4.110) 5.417 2.769 ( 1.110 -1.267 -1.597) 2.321 2.812 ( 1.621 3.451 0.016) 3.813 2.927 ( 3.467 1.696 1.292) 4.070 3.036 ( -2.081 4.669 -2.254) 5.587 3.069 ( -0.421 -0.249 3.219) 3.256 3.122 ( 1.110 0.089 -1.263) 1.684 3.199 ( -0.181 -2.791 0.923) 2.945 3.289 ( 3.601 -3.538 -2.354) 5.570 3.327 ( -5.404 -0.526 4.175) 6.849 3.360 ( -1.917 -1.723 -0.044) 2.579 3.376 ( 0.077 -2.498 1.335) 2.833 3.482 ( -2.587 -1.123 1.217) 3.072 3.507 ( 0.793 -2.195 1.865) 2.988 3.549 ( -0.907 -0.748 -1.461) 1.876 3.694 ( -0.819 3.114 0.465) 3.253 3.853 ( 2.162 1.317 -1.062) 2.745 3.892 ( 0.225 -0.787 0.873) 1.197 3.945 ( -3.030 -0.803 1.126) 3.330 4.128 ( 2.523 -0.217 -2.053) 3.260 4.216 ( -2.805 2.167 0.074) 3.545 4.327 ( -0.947 -1.852 -0.509) 2.142 4.507 ( -0.843 -6.157 -0.264) 6.220 9.119 ( 3.674 0.623 -0.216) 3.733 9.158 ( 1.313 -1.329 0.349) 1.901 10.845 ( 26.574 4.511 4.897) 27.395 11.924 ( -0.812 8.878 -3.557) 9.598 12.389 ( -1.176 -0.374 0.149) 1.243 12.488 ( -1.383 -0.203 0.093) 1.401 12.708 ( 1.680 0.193 0.196) 1.702 12.754 ( 0.721 0.286 -0.076) 0.779 14.220 ( 28.290 10.876 2.003) 30.375 15.117 ( 1.157 -0.437 0.300) 1.273 15.146 ( 0.717 -0.042 -0.174) 0.739 16.019 ( 5.462 25.247 -6.758) 26.700 17.074 ( 0.382 1.643 -0.178) 1.696 17.121 ( -0.231 -0.809 -1.311) 1.558 17.154 ( -1.562 2.242 -1.461) 3.098 17.247 ( 1.272 0.436 0.375) 1.396 17.279 ( 0.476 -0.600 0.229) 0.800 17.335 ( -1.848 -0.027 0.509) 1.917 17.559 ( -1.779 -1.140 -1.159) 2.410 17.647 ( -2.665 1.043 0.745) 2.957 20.130 ( 9.494 -1.567 2.976) 10.072 20.335 ( -2.080 1.579 -1.527) 3.025 20.507 ( 1.512 -3.273 0.569) 3.650 22.317 ( 6.981 54.583 -27.324) 61.438 27.147 ( 0.227 -1.653 -0.879) 1.886 27.198 ( -1.585 -1.469 0.421) 2.202 27.437 ( 1.005 0.009 0.231) 1.031 27.476 ( -1.102 -0.194 -1.745) 2.073 30.382 ( -1.255 -3.023 -0.512) 3.313 30.678 ( -0.008 2.951 0.079) 2.952 33.052 ( -0.839 -0.226 -0.071) 0.872 33.387 ( 0.613 1.741 1.045) 2.121 33.576 ( 1.037 -2.856 -1.163) 3.253 33.913 ( -1.684 -2.916 -0.052) 3.368 34.153 ( 1.207 -2.111 0.602) 2.505 34.202 ( -2.455 -10.439 -0.677) 10.745 34.421 ( 3.151 -7.825 0.987) 8.493 34.661 ( -3.613 -1.868 0.258) 4.075 35.413 ( 0.071 0.425 -0.103) 0.443 35.861 ( -2.667 -0.811 1.066) 2.985 38.750 ( 0.724 -10.838 -2.864) 11.233 40.084 ( -6.492 -27.283 -0.665) 28.053 45.374 ( 0.270 0.151 -0.068) 0.317 45.471 ( -0.021 1.311 -0.245) 1.334 ======================= Grid point 32 (22/115) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 13.283 -3.023 5.548) 14.709 1.121 ( 3.572 -1.306 -1.019) 3.937 1.209 ( -5.761 0.024 -4.724) 7.450 1.259 ( 6.847 -11.933 -3.298) 14.147 1.516 ( 0.764 -5.758 0.077) 5.809 1.601 ( -4.411 2.327 1.582) 5.232 1.677 ( -5.142 1.398 2.954) 6.093 1.798 ( -0.893 -4.008 3.544) 5.424 1.880 ( -2.902 -4.096 -5.518) 7.459 1.940 ( 3.235 -5.617 5.071) 8.230 1.967 ( -0.082 -3.533 0.205) 3.540 2.036 ( -2.714 -5.578 -0.250) 6.208 2.263 ( 1.000 -1.440 0.185) 1.763 2.283 ( -0.865 -0.885 -0.438) 1.313 2.352 ( 2.480 4.885 -1.482) 5.675 2.386 ( -1.008 3.244 1.510) 3.718 2.491 ( 1.425 -1.788 -1.046) 2.514 2.579 ( -0.205 5.186 -2.537) 5.777 2.726 ( -0.172 3.363 -2.012) 3.923 2.779 ( 0.733 1.881 -1.123) 2.310 2.909 ( 1.292 1.885 3.006) 3.776 2.969 ( -1.951 0.073 -2.675) 3.312 3.122 ( 0.619 -3.432 1.028) 3.635 3.135 ( 2.404 -0.040 -1.185) 2.680 3.245 ( 1.121 -1.440 -0.795) 1.990 3.268 ( -4.635 1.152 3.283) 5.796 3.351 ( 0.890 -1.558 -1.852) 2.579 3.374 ( -1.227 -0.649 1.414) 1.982 3.415 ( -2.954 0.125 1.298) 3.229 3.487 ( -0.130 -1.451 0.798) 1.661 3.540 ( -0.148 0.340 0.549) 0.662 3.577 ( 1.885 -3.135 0.402) 3.680 3.651 ( -1.647 0.250 -0.553) 1.755 3.828 ( 1.821 4.452 -0.822) 4.880 3.932 ( -0.054 -3.376 0.365) 3.396 3.956 ( -2.418 -3.834 0.560) 4.568 4.118 ( 1.290 1.220 -0.453) 1.832 4.194 ( -1.647 -0.569 0.273) 1.764 4.388 ( -0.074 -4.393 -0.983) 4.502 4.585 ( -0.737 -2.642 0.069) 2.744 9.139 ( 3.474 0.119 -0.119) 3.478 9.180 ( -1.137 -0.922 0.316) 1.497 10.955 ( 23.505 3.506 1.871) 23.839 11.649 ( -4.655 18.942 -2.026) 19.611 12.395 ( -0.369 -0.790 0.114) 0.880 12.481 ( -0.876 0.056 0.003) 0.877 12.717 ( 2.003 0.315 0.088) 2.030 12.745 ( -0.847 0.603 -0.079) 1.043 14.185 ( 21.849 11.670 0.754) 24.782 15.123 ( 1.610 4.556 -1.480) 5.053 15.143 ( -0.582 1.085 -0.088) 1.235 15.399 ( -6.898 34.397 -0.865) 35.092 17.059 ( -0.419 -0.349 -0.340) 0.642 17.087 ( -2.003 1.783 -0.328) 2.702 17.140 ( -0.180 -1.337 -0.337) 1.390 17.256 ( 1.563 0.161 0.368) 1.614 17.296 ( 0.590 -0.617 0.109) 0.860 17.319 ( -1.717 0.331 0.182) 1.758 17.580 ( 2.666 -0.762 -0.880) 2.909 17.626 ( -3.593 -1.147 0.575) 3.815 20.197 ( 7.956 1.777 1.855) 8.360 20.282 ( -3.324 1.618 -1.217) 3.892 20.571 ( 4.593 0.137 1.449) 4.818 21.260 ( -4.608 49.447 -7.371) 50.206 27.184 ( 2.228 -1.129 -0.645) 2.580 27.216 ( -2.081 -1.570 0.385) 2.635 27.434 ( 0.403 0.598 0.095) 0.727 27.483 ( -0.591 -1.225 -0.415) 1.423 30.409 ( 0.397 -0.049 -0.376) 0.548 30.612 ( -0.697 3.510 0.366) 3.598 33.055 ( -0.423 -0.590 -0.065) 0.729 33.354 ( 0.437 2.452 0.458) 2.532 33.613 ( 0.574 -0.727 -0.182) 0.944 33.970 ( -0.464 -3.387 -0.231) 3.427 34.229 ( 1.743 0.469 -2.236) 2.873 34.269 ( -1.887 -3.541 2.980) 4.998 34.626 ( 5.738 -9.598 0.593) 11.198 34.733 ( -8.511 -10.596 -1.766) 13.705 35.403 ( 0.056 0.644 -0.094) 0.653 35.866 ( -1.038 -0.936 0.619) 1.529 39.017 ( 0.536 -16.079 -0.544) 16.097 40.583 ( -5.364 -28.776 -1.195) 29.296 45.371 ( 0.123 0.263 -0.023) 0.291 45.444 ( 0.089 1.451 -0.057) 1.455 ======================= Grid point 33 (23/115) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 0.000 1.963 0.000) 1.963 1.181 ( -0.000 -3.766 -0.000) 3.766 1.243 ( -0.000 -8.188 -0.000) 8.188 1.394 ( 0.000 10.281 0.000) 10.281 1.585 ( -0.000 -2.341 -0.000) 2.341 1.613 ( -0.000 -13.805 -0.000) 13.805 1.722 ( -0.000 -3.933 -0.000) 3.933 1.803 ( 0.000 3.182 0.000) 3.182 1.969 ( -0.000 -6.611 -0.000) 6.611 1.983 ( -0.000 -4.169 -0.000) 4.169 2.066 ( 0.000 1.046 0.000) 1.046 2.145 ( -0.000 -7.069 -0.000) 7.069 2.255 ( 0.000 1.055 0.000) 1.055 2.258 ( 0.000 5.361 0.000) 5.361 2.259 ( 0.000 7.960 0.000) 7.960 2.333 ( -0.000 -3.984 -0.000) 3.984 2.491 ( 0.000 2.896 0.000) 2.896 2.551 ( -0.000 -2.191 -0.000) 2.191 2.713 ( -0.000 -0.543 -0.000) 0.543 2.722 ( 0.000 3.060 0.000) 3.060 2.901 ( 0.000 0.707 0.000) 0.707 2.965 ( -0.000 -1.183 -0.000) 1.183 3.116 ( 0.000 2.968 0.000) 2.968 3.167 ( -0.000 -0.892 -0.000) 0.892 3.260 ( -0.000 -2.815 -0.000) 2.815 3.290 ( -0.000 -1.444 -0.000) 1.444 3.371 ( -0.000 -1.595 -0.000) 1.595 3.378 ( -0.000 -0.343 -0.000) 0.343 3.389 ( 0.000 0.635 0.000) 0.635 3.502 ( -0.000 -0.074 -0.000) 0.074 3.530 ( 0.000 0.648 0.000) 0.648 3.632 ( 0.000 1.718 0.000) 1.718 3.654 ( -0.000 -3.128 -0.000) 3.128 3.742 ( 0.000 3.904 0.000) 3.904 3.998 ( -0.000 -2.885 -0.000) 2.885 4.026 ( -0.000 -3.536 -0.000) 3.536 4.124 ( -0.000 -1.446 -0.000) 1.446 4.194 ( -0.000 -0.086 -0.000) 0.086 4.465 ( -0.000 -3.509 -0.000) 3.509 4.608 ( -0.000 -0.741 -0.000) 0.741 9.151 ( 0.000 0.554 0.000) 0.554 9.185 ( -0.000 -0.567 -0.000) 0.567 11.063 ( -0.000 -1.656 -0.000) 1.656 11.112 ( 0.000 32.267 0.000) 32.267 12.412 ( -0.000 -1.079 -0.000) 1.079 12.474 ( 0.000 0.196 0.000) 0.196 12.714 ( 0.000 1.511 0.000) 1.511 12.733 ( -0.000 -0.317 -0.000) 0.317 14.103 ( 0.000 7.820 0.000) 7.820 14.500 ( 0.000 36.921 0.000) 36.921 15.145 ( -0.000 -0.189 -0.000) 0.189 15.211 ( -0.000 -0.279 -0.000) 0.279 17.065 ( 0.000 0.096 0.000) 0.096 17.090 ( -0.000 -2.999 -0.000) 2.999 17.165 ( -0.000 -1.361 -0.000) 1.361 17.258 ( 0.000 0.272 0.000) 0.272 17.298 ( 0.000 1.058 0.000) 1.058 17.310 ( -0.000 -0.500 -0.000) 0.500 17.613 ( -0.000 -1.162 -0.000) 1.162 17.637 ( -0.000 -1.524 -0.000) 1.524 20.150 ( 0.000 8.740 0.000) 8.740 20.243 ( 0.000 0.439 0.000) 0.439 20.530 ( 0.000 22.838 0.000) 22.838 20.565 ( 0.000 2.788 0.000) 2.788 27.208 ( -0.000 -0.354 -0.000) 0.354 27.226 ( -0.000 -0.382 -0.000) 0.382 27.432 ( -0.000 -0.176 -0.000) 0.176 27.499 ( -0.000 -0.543 -0.000) 0.543 30.394 ( 0.000 1.482 0.000) 1.482 30.552 ( 0.000 2.285 0.000) 2.285 33.070 ( -0.000 -1.288 -0.000) 1.288 33.299 ( 0.000 3.615 0.000) 3.615 33.635 ( -0.000 -2.001 -0.000) 2.001 33.977 ( 0.000 4.503 0.000) 4.503 34.163 ( 0.000 1.172 0.000) 1.172 34.377 ( -0.000 -5.066 -0.000) 5.066 34.791 ( -0.000 -4.240 -0.000) 4.240 34.925 ( -0.000 -13.244 -0.000) 13.244 35.391 ( 0.000 0.537 0.000) 0.537 35.881 ( -0.000 -1.035 -0.000) 1.035 39.302 ( -0.000 -13.050 -0.000) 13.050 41.030 ( -0.000 -20.503 -0.000) 20.503 45.366 ( 0.000 0.298 0.000) 0.298 45.420 ( 0.000 1.112 0.000) 1.112 ======================= Grid point 41 (24/115) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 2.607 0.000 -1.574) 3.046 0.986 ( 6.723 0.000 7.035) 9.731 1.161 ( 2.351 0.000 -1.471) 2.773 1.266 ( 10.026 0.000 3.681) 10.681 1.422 ( -3.448 -0.000 -6.314) 7.194 1.479 ( -14.473 -0.000 -0.755) 14.493 1.677 ( 7.204 0.000 5.089) 8.820 1.720 ( -1.742 -0.000 2.656) 3.176 1.758 ( -4.871 -0.000 -0.706) 4.922 1.801 ( -1.100 -0.000 -2.524) 2.753 1.973 ( -0.145 -0.000 -2.080) 2.085 2.063 ( 10.683 0.000 5.081) 11.830 2.129 ( -0.855 -0.000 -0.480) 0.981 2.279 ( -9.074 -0.000 -5.371) 10.545 2.343 ( -0.110 -0.000 0.982) 0.988 2.455 ( -2.008 -0.000 -0.170) 2.015 2.458 ( -0.235 -0.000 -0.237) 0.333 2.703 ( 0.089 0.000 -1.532) 1.534 2.752 ( -0.020 -0.000 -1.163) 1.163 2.858 ( 1.582 0.000 0.571) 1.682 2.990 ( 5.120 0.000 -1.258) 5.272 3.077 ( 0.183 0.000 -0.567) 0.596 3.079 ( -3.706 -0.000 4.043) 5.485 3.130 ( -2.846 -0.000 -0.364) 2.869 3.149 ( 1.165 0.000 -0.217) 1.185 3.267 ( 5.091 0.000 0.401) 5.107 3.312 ( 0.568 0.000 -1.532) 1.634 3.324 ( -2.587 -0.000 1.716) 3.104 3.365 ( 0.166 0.000 -0.463) 0.492 3.438 ( -3.365 -0.000 0.910) 3.486 3.497 ( 0.883 0.000 2.274) 2.439 3.528 ( -0.459 -0.000 -2.348) 2.392 3.729 ( -0.576 -0.000 0.477) 0.748 3.858 ( -0.289 -0.000 0.343) 0.448 3.899 ( -0.872 -0.000 -0.403) 0.961 3.938 ( 0.740 0.000 0.616) 0.963 4.110 ( 0.697 0.000 -1.597) 1.743 4.276 ( 1.389 0.000 1.607) 2.124 4.315 ( -2.369 -0.000 -1.279) 2.692 4.396 ( -0.597 -0.000 -0.262) 0.652 9.149 ( 1.427 0.000 -0.084) 1.429 9.150 ( 1.333 0.000 0.061) 1.335 11.002 ( 9.558 0.000 2.830) 9.968 11.997 ( -0.563 -0.000 -1.643) 1.737 12.379 ( -0.650 -0.000 0.056) 0.653 12.478 ( -0.669 -0.000 0.044) 0.670 12.717 ( 0.645 0.000 0.094) 0.652 12.764 ( 0.596 0.000 0.003) 0.596 14.489 ( 14.957 0.000 1.768) 15.061 15.118 ( 0.569 0.000 0.043) 0.570 15.146 ( -0.214 -0.000 0.239) 0.321 16.281 ( 1.904 0.000 -3.699) 4.160 17.106 ( 0.517 0.000 0.409) 0.659 17.110 ( -0.109 -0.000 -0.687) 0.696 17.182 ( 0.991 0.000 -1.364) 1.686 17.265 ( 1.861 0.000 0.360) 1.896 17.276 ( 0.233 0.000 0.088) 0.249 17.317 ( -2.560 -0.000 -0.091) 2.561 17.519 ( -2.044 -0.000 -0.679) 2.154 17.653 ( -1.375 -0.000 0.467) 1.452 20.165 ( 6.188 0.000 2.688) 6.747 20.331 ( -2.414 -0.000 -1.908) 3.077 20.462 ( -0.197 -0.000 -0.087) 0.215 22.924 ( 3.962 0.000 -18.576) 18.994 27.115 ( -0.770 -0.000 -0.252) 0.810 27.180 ( -0.479 -0.000 0.108) 0.491 27.433 ( 0.050 0.000 -0.009) 0.051 27.478 ( 0.087 0.000 -1.099) 1.102 30.327 ( -1.000 -0.000 -0.065) 1.002 30.711 ( 0.159 0.000 -0.264) 0.308 33.046 ( -0.425 -0.000 -0.065) 0.430 33.416 ( 0.520 0.000 0.032) 0.521 33.531 ( 0.155 0.000 -0.142) 0.210 33.875 ( -0.973 -0.000 0.184) 0.990 34.072 ( 1.413 0.000 -0.129) 1.419 34.152 ( 0.594 0.000 0.566) 0.821 34.346 ( 0.848 0.000 0.703) 1.101 34.658 ( -0.440 -0.000 0.559) 0.711 35.417 ( 0.032 0.000 -0.047) 0.057 35.837 ( -1.514 -0.000 0.537) 1.606 38.639 ( 0.046 0.000 -2.023) 2.023 39.794 ( -0.459 -0.000 0.853) 0.969 45.377 ( 0.154 0.000 -0.040) 0.159 45.483 ( -0.122 -0.000 -0.175) 0.213 ======================= Grid point 42 (25/115) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -0.000 -10.954 -0.000) 10.954 1.041 ( -0.000 -2.227 -0.000) 2.227 1.150 ( 0.000 1.498 0.000) 1.498 1.235 ( 0.000 5.793 0.000) 5.793 1.453 ( -0.000 -4.689 -0.000) 4.689 1.501 ( -0.000 -6.053 -0.000) 6.053 1.732 ( 0.000 2.006 0.000) 2.006 1.733 ( -0.000 -2.398 -0.000) 2.398 1.791 ( -0.000 -7.692 -0.000) 7.692 1.813 ( -0.000 -1.172 -0.000) 1.172 1.947 ( -0.000 -1.086 -0.000) 1.086 1.995 ( 0.000 4.675 0.000) 4.675 2.200 ( -0.000 -4.186 -0.000) 4.186 2.322 ( 0.000 2.158 0.000) 2.158 2.375 ( -0.000 -7.778 -0.000) 7.778 2.433 ( 0.000 2.662 0.000) 2.662 2.433 ( 0.000 0.406 0.000) 0.406 2.661 ( 0.000 3.705 0.000) 3.705 2.774 ( -0.000 -1.701 -0.000) 1.701 2.827 ( 0.000 5.058 0.000) 5.058 2.970 ( 0.000 2.720 0.000) 2.720 3.002 ( 0.000 4.357 0.000) 4.357 3.071 ( -0.000 -0.454 -0.000) 0.454 3.134 ( -0.000 -1.250 -0.000) 1.250 3.197 ( -0.000 -3.422 -0.000) 3.422 3.290 ( 0.000 2.065 0.000) 2.065 3.327 ( -0.000 -1.593 -0.000) 1.593 3.343 ( -0.000 -2.817 -0.000) 2.817 3.377 ( -0.000 -2.030 -0.000) 2.030 3.457 ( -0.000 -1.911 -0.000) 1.911 3.524 ( -0.000 -1.731 -0.000) 1.731 3.535 ( -0.000 -1.526 -0.000) 1.526 3.688 ( 0.000 3.423 0.000) 3.423 3.873 ( -0.000 -1.572 -0.000) 1.572 3.893 ( -0.000 -0.910 -0.000) 0.910 3.919 ( 0.000 2.386 0.000) 2.386 4.153 ( -0.000 -3.007 -0.000) 3.007 4.185 ( 0.000 5.432 0.000) 5.432 4.320 ( -0.000 -2.155 -0.000) 2.155 4.500 ( -0.000 -6.254 -0.000) 6.254 9.155 ( -0.000 -0.069 -0.000) 0.069 9.160 ( -0.000 -0.504 -0.000) 0.504 11.040 ( -0.000 -0.097 -0.000) 0.097 11.911 ( 0.000 9.248 0.000) 9.248 12.381 ( -0.000 -0.477 -0.000) 0.477 12.477 ( -0.000 -0.131 -0.000) 0.131 12.721 ( -0.000 -0.207 -0.000) 0.207 12.759 ( 0.000 0.733 0.000) 0.733 14.457 ( 0.000 8.622 0.000) 8.622 15.127 ( -0.000 -0.621 -0.000) 0.621 15.149 ( -0.000 -0.359 -0.000) 0.359 16.038 ( 0.000 26.565 0.000) 26.565 17.080 ( 0.000 2.293 0.000) 2.293 17.117 ( -0.000 -0.734 -0.000) 0.734 17.134 ( 0.000 3.691 0.000) 3.691 17.269 ( 0.000 0.417 0.000) 0.417 17.286 ( -0.000 -0.707 -0.000) 0.707 17.310 ( -0.000 -0.356 -0.000) 0.356 17.545 ( -0.000 -2.914 -0.000) 2.914 17.626 ( 0.000 1.676 0.000) 1.676 20.224 ( -0.000 -2.018 -0.000) 2.018 20.301 ( 0.000 1.865 0.000) 1.865 20.521 ( -0.000 -5.319 -0.000) 5.319 22.314 ( 0.000 56.016 0.000) 56.016 27.150 ( -0.000 -3.207 -0.000) 3.207 27.184 ( -0.000 -0.585 -0.000) 0.585 27.450 ( -0.000 -1.594 -0.000) 1.594 27.459 ( 0.000 1.514 0.000) 1.514 30.371 ( -0.000 -3.572 -0.000) 3.572 30.678 ( 0.000 3.178 0.000) 3.178 33.046 ( -0.000 -0.225 -0.000) 0.225 33.393 ( 0.000 1.747 0.000) 1.747 33.582 ( -0.000 -3.222 -0.000) 3.222 33.900 ( -0.000 -3.004 -0.000) 3.004 34.168 ( -0.000 -2.720 -0.000) 2.720 34.179 ( -0.000 -7.982 -0.000) 7.982 34.451 ( -0.000 -9.524 -0.000) 9.524 34.632 ( 0.000 1.447 0.000) 1.447 35.413 ( 0.000 0.419 0.000) 0.419 35.843 ( -0.000 -0.978 -0.000) 0.978 38.750 ( -0.000 -11.305 -0.000) 11.305 40.038 ( -0.000 -23.979 -0.000) 23.979 45.376 ( 0.000 0.161 0.000) 0.161 45.470 ( 0.000 1.179 0.000) 1.179 ======================= Grid point 85 (26/115) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 8.665 0.000 19.799) 21.612 0.469 ( 13.785 0.000 22.568) 26.445 0.769 ( -1.744 -0.000 37.200) 37.240 1.161 ( -6.166 -0.000 6.459) 8.930 1.504 ( -7.818 -0.000 -13.521) 15.619 1.510 ( -1.500 -0.000 -6.069) 6.252 1.790 ( 5.492 0.000 -5.754) 7.954 1.834 ( 4.274 0.000 1.869) 4.665 1.916 ( 0.079 0.000 -2.624) 2.625 2.026 ( -2.212 -0.000 -0.436) 2.255 2.072 ( -14.119 -0.000 -4.012) 14.678 2.154 ( -0.893 -0.000 0.853) 1.234 2.241 ( -0.826 -0.000 -2.398) 2.536 2.264 ( -7.084 -0.000 -1.302) 7.203 2.311 ( -8.252 -0.000 1.149) 8.331 2.360 ( 3.103 0.000 -0.234) 3.111 2.442 ( 6.783 0.000 5.197) 8.545 2.507 ( 3.221 0.000 1.131) 3.413 2.584 ( 3.092 0.000 -2.822) 4.186 2.761 ( -0.742 -0.000 -10.051) 10.078 2.813 ( -0.220 -0.000 0.859) 0.887 2.995 ( 1.362 0.000 -1.868) 2.312 3.080 ( 1.410 0.000 -5.336) 5.519 3.096 ( 0.028 0.000 0.104) 0.108 3.220 ( 4.002 0.000 -4.964) 6.376 3.321 ( 1.367 0.000 1.563) 2.076 3.333 ( -0.400 -0.000 -1.896) 1.938 3.440 ( 2.589 0.000 -0.402) 2.620 3.504 ( -0.014 -0.000 0.258) 0.259 3.538 ( -2.811 -0.000 4.737) 5.508 3.639 ( 0.573 0.000 3.084) 3.137 3.641 ( 0.269 0.000 -3.048) 3.060 3.839 ( 3.496 0.000 1.114) 3.669 3.881 ( 1.375 0.000 2.335) 2.710 3.881 ( 3.281 0.000 2.022) 3.854 3.949 ( -2.054 -0.000 -0.463) 2.105 4.306 ( -2.744 -0.000 8.067) 8.521 4.474 ( -0.551 -0.000 -0.301) 0.628 4.486 ( 0.288 0.000 -0.710) 0.766 4.828 ( 33.212 0.000 -4.105) 33.465 8.615 ( 16.924 0.000 7.596) 18.551 8.988 ( -0.033 -0.000 0.051) 0.061 8.992 ( 0.034 0.000 -0.055) 0.065 9.255 (-176.044 -0.000 -6.981) 176.182 12.531 ( -1.433 -0.000 1.086) 1.797 12.577 ( 0.889 0.000 0.355) 0.957 12.594 ( 1.854 0.000 -0.382) 1.893 12.636 ( -1.427 -0.000 -0.904) 1.690 13.275 ( -17.207 -0.000 0.291) 17.209 13.341 ( 0.635 0.000 -1.221) 1.376 15.054 ( -0.292 -0.000 0.404) 0.498 15.087 ( 0.377 0.000 -0.331) 0.502 17.096 ( -1.420 -0.000 0.003) 1.420 17.098 ( 0.383 0.000 -0.052) 0.386 17.231 ( 0.875 0.000 0.094) 0.880 17.264 ( -1.213 -0.000 -0.787) 1.446 17.344 ( 1.509 0.000 0.628) 1.635 17.353 ( -5.398 -0.000 0.262) 5.405 17.712 ( -0.526 -0.000 0.554) 0.764 17.761 ( 0.817 0.000 -0.588) 1.007 19.715 ( 2.662 0.000 0.491) 2.706 19.767 ( -46.519 -0.000 -0.653) 46.524 20.399 ( -1.269 -0.000 1.484) 1.952 20.484 ( 1.613 0.000 -0.381) 1.657 27.208 ( -0.611 -0.000 0.290) 0.676 27.228 ( 0.601 0.000 -0.152) 0.620 27.420 ( -2.596 -0.000 0.094) 2.598 27.427 ( 0.007 0.000 -0.072) 0.072 30.462 ( -0.759 -0.000 2.462) 2.577 30.676 ( 1.304 0.000 -2.259) 2.608 33.149 ( -1.310 -0.000 3.656) 3.884 33.466 ( 0.455 0.000 -3.413) 3.443 33.866 ( -6.461 -0.000 0.717) 6.501 33.935 ( 1.346 0.000 -0.878) 1.607 34.069 ( -0.134 -0.000 0.062) 0.148 34.077 ( 0.301 0.000 -0.105) 0.319 34.685 ( 0.855 0.000 0.949) 1.277 34.752 ( -5.107 -0.000 -0.554) 5.137 35.929 ( -13.161 -0.000 0.452) 13.169 35.977 ( 2.028 0.000 -0.623) 2.122 39.239 ( -43.891 -0.000 6.163) 44.321 39.764 ( 4.144 0.000 -5.701) 7.048 45.364 ( -0.213 -0.000 0.141) 0.255 45.377 ( 2.852 0.000 -0.152) 2.856 ======================= Grid point 86 (27/115) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -2.538 0.601 16.778) 16.979 0.613 ( 4.792 -5.285 17.986) 19.350 1.051 ( 2.584 -2.298 4.589) 5.746 1.122 ( 6.238 -10.804 21.134) 24.542 1.306 ( -5.338 5.868 -6.688) 10.375 1.639 ( -3.247 -9.258 -8.647) 13.078 1.735 ( 4.889 5.501 -7.091) 10.220 1.847 ( 0.621 -1.296 -0.996) 1.749 1.908 ( -2.392 4.337 -7.306) 8.827 2.013 ( 1.448 -2.592 -1.848) 3.497 2.080 ( 2.147 -3.014 -2.377) 4.398 2.119 ( 3.108 3.366 0.670) 4.630 2.191 ( -7.046 0.862 1.164) 7.193 2.316 ( 0.335 1.866 1.498) 2.416 2.322 ( -2.329 -5.007 0.565) 5.551 2.352 ( -5.237 -3.740 -0.277) 6.441 2.471 ( 0.112 0.587 1.711) 1.813 2.534 ( 2.004 0.512 -1.092) 2.339 2.608 ( 3.699 -0.556 -2.304) 4.393 2.751 ( -1.378 -1.112 -8.888) 9.063 2.821 ( 0.921 -0.511 0.912) 1.393 3.004 ( 2.326 0.385 -2.946) 3.774 3.084 ( 0.945 0.418 -1.918) 2.179 3.140 ( -1.531 -2.829 -0.929) 3.348 3.231 ( 2.846 0.456 -4.632) 5.456 3.300 ( -1.965 0.461 2.487) 3.203 3.377 ( -1.764 -1.077 2.574) 3.301 3.379 ( 0.992 2.037 -0.320) 2.288 3.511 ( 0.712 0.498 0.752) 1.149 3.529 ( 0.377 -0.962 0.244) 1.061 3.572 ( -1.814 1.602 2.833) 3.726 3.653 ( 2.136 0.944 -0.139) 2.339 3.741 ( -1.554 4.586 1.922) 5.210 3.906 ( -3.355 0.395 3.728) 5.031 3.909 ( 2.138 -2.147 3.276) 4.462 4.009 ( 3.372 -2.770 -2.363) 4.962 4.242 ( -1.967 4.682 7.418) 8.990 4.463 ( -1.291 7.189 4.970) 8.835 4.468 ( -3.698 -0.486 -0.696) 3.795 4.541 ( -3.882 0.168 2.208) 4.469 8.919 ( -25.476 -8.817 1.047) 26.979 9.004 ( 1.140 -1.361 0.669) 1.897 9.057 ( -0.717 -7.184 -0.312) 7.227 10.555 ( 72.522 -59.192 -57.565) 109.894 12.506 ( -3.248 0.519 0.565) 3.337 12.576 ( 3.703 1.612 0.080) 4.040 12.600 ( -2.285 -0.688 0.191) 2.394 12.663 ( 2.218 -1.775 -0.812) 2.954 13.287 ( 3.366 -0.718 0.036) 3.442 13.665 ( 35.050 -16.591 -20.095) 43.676 15.066 ( 0.303 -1.127 0.320) 1.210 15.115 ( 2.046 -1.991 -0.307) 2.872 17.066 ( -0.998 0.965 0.102) 1.392 17.105 ( -0.089 -0.299 -1.456) 1.489 17.246 ( -0.271 0.288 0.523) 0.655 17.246 ( -0.842 -0.268 -0.236) 0.915 17.297 ( -1.848 0.222 1.957) 2.700 17.376 ( -1.080 -0.625 -0.384) 1.306 17.697 ( -1.842 0.972 0.445) 2.130 17.753 ( -0.551 0.634 -0.340) 0.906 19.679 ( 2.413 -2.237 1.747) 3.726 20.211 ( 9.913 -25.185 -25.999) 37.530 20.386 ( -2.117 0.467 0.974) 2.377 20.498 ( 3.758 -0.913 -1.781) 4.258 27.194 ( -1.836 0.694 0.102) 1.966 27.228 ( 0.943 0.264 0.033) 0.980 27.411 ( -0.231 -0.600 0.501) 0.815 27.468 ( -0.503 -2.415 -2.432) 3.464 30.453 ( -1.186 0.612 2.161) 2.540 30.665 ( 0.886 1.558 -2.020) 2.701 33.145 ( -1.296 0.057 3.435) 3.672 33.440 ( 1.213 3.576 -1.706) 4.144 33.609 ( -3.983 6.880 11.861) 14.279 34.057 ( -1.490 0.607 -0.329) 1.642 34.069 ( -0.282 -5.957 -4.677) 7.579 34.115 ( 2.929 -2.476 -1.238) 4.030 34.607 ( 0.011 0.264 7.157) 7.162 34.974 ( -6.692 -13.396 -12.080) 19.240 35.682 ( -11.595 6.151 10.569) 16.851 36.029 ( -2.938 -0.455 -3.237) 4.395 38.925 ( -11.387 -6.030 20.389) 24.119 40.637 ( -19.212 -50.542 -47.800) 72.170 45.362 ( -0.040 0.095 0.094) 0.139 45.393 ( 3.058 0.739 -0.716) 3.226 ======================= Grid point 87 (28/115) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 2.430 -5.233 -1.109) 5.875 0.790 ( 1.465 -5.999 7.624) 9.812 1.025 ( -2.740 -1.495 6.793) 7.476 1.200 ( 0.616 -0.494 -3.257) 3.351 1.482 ( 9.148 -5.556 6.689) 12.621 1.734 ( 5.626 -2.997 -5.544) 8.449 1.789 ( -3.020 -4.086 -4.111) 6.536 1.799 ( -0.222 -1.564 -0.953) 1.845 1.842 ( -1.599 1.296 -0.892) 2.243 2.056 ( -0.078 -5.929 -3.343) 6.806 2.069 ( -1.938 2.125 -2.001) 3.504 2.142 ( 4.278 2.905 1.501) 5.384 2.172 ( 1.290 -3.167 -0.755) 3.502 2.261 ( -1.825 2.238 1.421) 3.219 2.333 ( -2.892 1.062 0.482) 3.118 2.378 ( -5.577 -1.984 -1.737) 6.169 2.468 ( 1.058 3.161 0.802) 3.429 2.503 ( -1.107 0.367 -1.740) 2.095 2.671 ( 3.626 -1.900 0.936) 4.199 2.751 ( -3.152 -2.772 -10.186) 11.017 2.830 ( 0.204 0.584 0.634) 0.886 2.996 ( 1.648 1.635 -3.266) 4.007 3.088 ( 0.178 -1.242 2.113) 2.457 3.140 ( -0.567 0.462 0.203) 0.759 3.255 ( 2.006 -1.653 -3.506) 4.365 3.299 ( -3.521 -1.645 2.967) 4.889 3.365 ( 0.436 -0.529 2.892) 2.973 3.417 ( 1.365 -0.858 -1.035) 1.916 3.507 ( 1.005 0.609 1.976) 2.299 3.534 ( -0.082 1.767 -0.737) 1.917 3.567 ( -0.820 -0.818 0.606) 1.308 3.652 ( 1.530 -0.018 0.247) 1.550 3.695 ( 0.268 -0.541 -0.301) 0.675 3.858 ( -3.093 3.538 8.049) 9.320 3.967 ( 1.706 -0.678 -0.289) 1.859 4.036 ( 0.874 0.088 -1.292) 1.562 4.187 ( -0.867 0.428 5.329) 5.416 4.350 ( -1.393 4.223 1.332) 4.642 4.453 ( -4.495 -1.474 -1.676) 5.019 4.592 ( 2.085 -2.984 -0.302) 3.653 8.943 ( -9.831 -6.498 0.434) 11.792 9.058 ( 1.755 -3.053 1.833) 3.970 9.202 ( -4.198 -9.243 0.694) 10.175 11.316 ( 32.439 -4.585 -19.849) 38.305 12.471 ( -2.711 0.840 0.227) 2.847 12.573 ( 3.863 1.684 -0.124) 4.216 12.595 ( -3.205 -0.906 0.308) 3.345 12.709 ( 2.180 -1.431 -0.388) 2.637 13.329 ( 1.687 -1.803 0.190) 2.477 14.132 ( 46.672 -2.836 -16.005) 49.421 15.095 ( 0.440 -1.513 0.362) 1.617 15.176 ( 3.915 -1.849 0.160) 4.333 17.052 ( -0.320 -0.000 -0.330) 0.460 17.115 ( 0.152 -1.133 -2.226) 2.502 17.227 ( -1.480 0.154 0.848) 1.713 17.258 ( 0.701 -0.055 -0.092) 0.710 17.286 ( -1.979 0.005 0.616) 2.072 17.371 ( -0.386 0.484 0.472) 0.778 17.648 ( -4.152 1.825 0.252) 4.542 17.738 ( -0.363 0.379 0.010) 0.524 19.747 ( 4.270 -1.416 2.305) 5.055 20.350 ( -1.741 1.728 1.104) 2.690 20.399 ( 5.735 1.331 -5.464) 8.033 20.612 ( 14.092 -0.179 -15.741) 21.128 27.165 ( -2.190 0.435 -0.063) 2.233 27.234 ( 1.559 0.079 0.105) 1.565 27.426 ( -0.133 -0.865 0.483) 1.000 27.489 ( -0.111 -0.661 -1.912) 2.026 30.426 ( -1.758 1.583 1.553) 2.830 30.629 ( 0.990 2.433 -1.630) 3.091 33.139 ( -1.646 -0.055 2.987) 3.411 33.358 ( 0.790 5.089 2.340) 5.656 33.576 ( -0.121 -0.984 4.325) 4.437 34.012 ( 0.020 3.746 -2.228) 4.359 34.167 ( -2.512 -5.342 -6.614) 8.865 34.181 ( 4.318 -2.881 1.290) 5.349 34.664 ( 0.226 -4.219 8.880) 9.834 35.091 ( -5.368 -6.935 -11.361) 14.352 35.564 ( -7.705 1.701 8.841) 11.850 35.980 ( -2.125 2.354 -2.354) 3.950 39.145 ( -4.887 -16.562 18.213) 25.098 41.057 ( -14.785 -20.091 -37.771) 45.265 45.361 ( 0.123 0.086 0.132) 0.200 45.396 ( 1.801 0.636 -0.498) 1.974 ======================= Grid point 88 (29/115) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 5.700 -10.298 -5.329) 12.921 0.820 ( 7.034 -3.731 3.449) 8.677 1.131 ( -2.225 -9.758 2.977) 10.442 1.301 ( 2.832 -4.513 2.517) 5.893 1.554 ( 4.304 -0.330 -1.565) 4.592 1.690 ( -0.355 4.408 -2.127) 4.908 1.733 ( -2.190 -0.400 -4.745) 5.241 1.897 ( -3.175 -4.776 -0.771) 5.786 1.924 ( 5.318 -0.565 -4.346) 6.892 1.998 ( -2.774 2.378 -0.009) 3.654 2.094 ( 3.426 2.478 -2.039) 4.694 2.163 ( -4.353 2.235 0.591) 4.929 2.197 ( -0.694 -1.606 -2.196) 2.808 2.284 ( -0.382 1.098 -0.023) 1.163 2.344 ( 0.139 -4.017 1.787) 4.399 2.366 ( -1.667 0.153 -0.450) 1.734 2.405 ( 5.300 -4.957 1.119) 7.343 2.507 ( -1.725 -0.837 1.779) 2.616 2.656 ( -1.778 3.331 -0.847) 3.870 2.756 ( 0.048 2.427 -3.890) 4.585 2.835 ( -3.816 -3.597 -2.298) 5.726 2.980 ( 2.347 -0.088 -0.718) 2.456 3.131 ( -0.279 -1.749 2.528) 3.087 3.155 ( 3.060 -1.500 -1.357) 3.668 3.285 ( 2.823 0.121 -2.098) 3.519 3.306 ( -3.876 -1.436 1.524) 4.405 3.366 ( -1.981 0.946 2.350) 3.216 3.432 ( 2.224 -0.211 -3.463) 4.121 3.483 ( 1.889 3.265 -0.133) 3.775 3.519 ( -1.886 -1.112 2.643) 3.432 3.573 ( 0.006 0.301 0.920) 0.968 3.655 ( 1.620 2.599 -0.066) 3.063 3.726 ( 0.472 -0.734 0.532) 1.022 3.766 ( -0.798 3.006 6.155) 6.896 3.962 ( -1.088 0.064 -1.231) 1.644 4.060 ( 0.295 -1.649 -0.223) 1.690 4.199 ( -1.409 -0.650 3.816) 4.119 4.286 ( -0.570 1.644 0.093) 1.743 4.448 ( -4.014 -1.583 -1.738) 4.652 4.661 ( 2.555 -2.348 0.210) 3.477 9.001 ( -2.620 -4.088 -0.060) 4.856 9.144 ( 1.429 -4.255 2.016) 4.921 9.314 ( -3.242 -4.982 1.692) 6.180 11.434 ( 13.526 4.031 -7.000) 15.754 12.439 ( -1.752 0.827 0.059) 1.938 12.569 ( 3.231 1.484 -0.150) 3.559 12.590 ( -3.064 -0.950 0.288) 3.221 12.744 ( 1.402 -0.851 -0.201) 1.652 13.376 ( 1.490 -1.800 0.141) 2.341 14.406 ( 33.055 1.866 -7.812) 34.017 15.125 ( 0.693 -1.034 0.882) 1.525 15.226 ( 2.986 -0.381 0.598) 3.069 17.060 ( 0.305 -0.826 0.014) 0.881 17.139 ( 0.162 -1.501 -2.150) 2.627 17.218 ( -0.133 0.357 0.393) 0.548 17.255 ( -2.169 -0.267 0.640) 2.278 17.276 ( 0.288 0.290 -0.149) 0.435 17.352 ( -0.420 1.312 0.792) 1.589 17.584 ( -4.643 1.133 -0.002) 4.780 17.734 ( 0.010 -0.005 0.197) 0.197 19.788 ( 3.476 0.516 2.639) 4.395 20.306 ( -0.943 1.759 0.734) 2.127 20.393 ( 3.764 1.659 -1.122) 4.264 20.592 ( 8.502 7.106 -8.909) 14.218 27.153 ( -1.117 -0.493 -0.127) 1.228 27.245 ( 1.358 -0.009 0.125) 1.364 27.440 ( -0.245 -0.587 0.590) 0.867 27.493 ( 0.037 -0.216 -1.106) 1.128 30.377 ( -2.127 2.047 0.891) 3.084 30.590 ( 1.075 2.189 -1.122) 2.684 33.137 ( -1.799 -0.700 2.358) 3.047 33.280 ( 0.957 4.340 2.070) 4.903 33.620 ( 0.732 -2.724 1.350) 3.127 33.909 ( 1.226 6.840 -3.962) 7.999 34.199 ( -2.808 -2.344 -3.914) 5.357 34.303 ( 4.748 -4.874 2.178) 7.144 34.763 ( -1.267 -4.324 6.472) 7.886 35.141 ( -3.111 -3.914 -9.060) 10.348 35.513 ( -5.648 0.230 7.219) 9.169 35.922 ( -0.764 2.100 -1.488) 2.685 39.445 ( -3.534 -13.950 17.403) 22.582 41.167 ( -6.910 -7.927 -26.847) 28.833 45.361 ( 0.156 0.036 0.214) 0.267 45.396 ( 0.969 0.330 -0.429) 1.110 ======================= Grid point 89 (30/115) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -3.449 0.541 4.468) 5.670 1.165 ( 14.225 -10.141 -7.108) 18.860 1.311 ( -0.259 -10.574 0.472) 10.588 1.342 ( -0.666 0.174 4.165) 4.221 1.528 ( -0.915 4.253 0.399) 4.368 1.656 ( -0.572 0.050 -1.729) 1.822 1.789 ( 1.506 -3.837 -4.249) 5.920 1.859 ( 0.195 3.907 -4.279) 5.797 1.909 ( -2.045 3.089 0.323) 3.719 1.987 ( 3.696 0.615 -2.570) 4.543 2.036 ( -0.563 1.879 -4.032) 4.484 2.114 ( -0.391 -1.830 -1.143) 2.193 2.215 ( -4.232 0.015 3.391) 5.423 2.267 ( -1.538 0.976 -2.603) 3.177 2.314 ( 1.631 -0.242 -1.527) 2.247 2.374 ( -0.879 0.750 -0.361) 1.210 2.520 ( -1.668 -1.899 2.809) 3.779 2.547 ( -2.391 1.958 -0.489) 3.129 2.641 ( 2.719 -2.783 3.920) 5.524 2.693 ( 4.026 0.334 -1.334) 4.255 2.894 ( -3.402 -5.508 -2.002) 6.776 3.001 ( 1.713 1.714 -0.659) 2.512 3.155 ( 2.220 0.018 1.083) 2.470 3.205 ( 1.359 -1.178 -1.455) 2.313 3.278 ( -0.245 1.364 0.517) 1.479 3.301 ( -2.030 -0.026 0.088) 2.032 3.339 ( -1.269 -0.323 0.217) 1.328 3.416 ( 0.958 3.322 -2.697) 4.385 3.436 ( 1.753 1.067 -3.188) 3.791 3.536 ( -1.466 -1.211 1.923) 2.705 3.556 ( 0.040 1.401 1.732) 2.228 3.594 ( 1.145 2.832 0.381) 3.078 3.714 ( -2.073 0.436 4.620) 5.082 3.793 ( 1.736 -1.679 1.271) 2.729 3.957 ( -1.378 -0.539 -0.138) 1.486 4.087 ( 0.741 -0.667 -0.665) 1.199 4.186 ( -2.157 1.034 2.243) 3.280 4.276 ( 0.686 0.140 0.414) 0.814 4.453 ( -2.527 -1.916 -0.471) 3.206 4.708 ( 1.198 -0.933 0.532) 1.609 9.044 ( -0.263 -1.396 0.003) 1.421 9.229 ( 0.251 -3.375 0.423) 3.411 9.345 ( -1.326 -0.003 3.203) 3.467 11.422 ( 4.280 1.829 -3.170) 5.632 12.418 ( -0.599 0.399 0.000) 0.720 12.566 ( 1.438 0.671 -0.148) 1.594 12.587 ( -1.491 -0.513 0.260) 1.598 12.761 ( 0.506 -0.268 -0.138) 0.589 13.410 ( 0.770 -0.693 0.029) 1.037 14.535 ( 11.975 0.505 -5.005) 12.989 15.147 ( 0.955 -0.381 1.841) 2.108 15.233 ( 0.318 0.764 0.304) 0.882 17.079 ( 0.193 -0.758 0.549) 0.956 17.160 ( 0.003 -0.961 -1.722) 1.972 17.214 ( 0.796 0.354 0.091) 0.876 17.251 ( -2.380 -0.971 1.246) 2.856 17.277 ( 2.092 0.413 -0.484) 2.186 17.322 ( -0.923 1.329 0.447) 1.679 17.546 ( -2.411 0.195 -0.096) 2.421 17.736 ( 0.059 -0.032 0.231) 0.241 19.794 ( 1.181 0.861 2.550) 2.939 20.280 ( -0.426 0.610 0.851) 1.130 20.391 ( 0.698 0.534 -0.542) 1.033 20.516 ( 3.507 2.562 -4.445) 6.214 27.160 ( -0.250 -0.536 -0.086) 0.598 27.253 ( 0.540 -0.011 0.132) 0.556 27.445 ( -0.250 -0.130 0.646) 0.705 27.496 ( 0.119 -0.222 -0.679) 0.724 30.335 ( -1.152 0.985 0.497) 1.595 30.564 ( 0.637 1.003 -0.862) 1.468 33.150 ( -1.533 -1.528 1.887) 2.872 33.220 ( 0.790 2.958 1.660) 3.483 33.690 ( 0.226 -3.823 -0.620) 3.879 33.785 ( 1.332 5.791 -3.637) 6.967 34.206 ( -2.722 -1.092 -2.600) 3.920 34.417 ( 5.529 -2.276 3.920) 7.150 34.801 ( -2.989 -0.319 2.227) 3.741 35.171 ( -0.320 -2.205 -6.657) 7.020 35.494 ( -3.887 -0.661 6.556) 7.650 35.890 ( 0.916 1.157 -0.861) 1.708 39.630 ( -3.537 -4.976 16.277) 17.384 41.205 ( 0.957 -3.371 -21.104) 21.393 45.362 ( 0.031 -0.006 0.278) 0.279 45.396 ( 0.347 0.115 -0.433) 0.567 ======================= Grid point 90 (31/115) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -5.907 -1.400 4.303) 7.440 1.288 ( 0.961 2.278 -3.448) 4.242 1.343 ( 1.070 -0.378 -2.782) 3.004 1.431 ( 0.217 2.215 5.971) 6.372 1.464 ( -3.852 1.569 4.187) 5.902 1.656 ( 4.798 -0.119 -4.611) 6.656 1.710 ( -3.126 3.069 -0.520) 4.411 1.835 ( 0.470 3.580 -3.827) 5.262 1.870 ( 1.573 0.287 -6.602) 6.793 1.978 ( 2.569 3.041 -2.420) 4.658 2.076 ( 4.177 -4.633 -5.425) 8.267 2.112 ( -4.454 4.655 2.666) 6.973 2.172 ( 0.223 -3.060 -1.461) 3.398 2.271 ( -1.823 -3.424 1.620) 4.204 2.321 ( 1.858 -0.782 -3.098) 3.696 2.380 ( 1.594 -0.292 0.589) 1.724 2.522 ( -1.285 1.672 0.229) 2.122 2.550 ( -1.410 -0.849 3.391) 3.769 2.625 ( 2.795 0.828 -1.406) 3.237 2.773 ( -0.824 -3.180 2.778) 4.302 2.920 ( 0.501 4.503 -0.266) 4.539 2.980 ( -2.338 -5.663 -0.876) 6.189 3.162 ( -0.451 2.442 -2.567) 3.571 3.186 ( 0.200 1.110 2.384) 2.637 3.243 ( -0.637 2.331 -0.729) 2.524 3.283 ( -0.324 -0.010 0.330) 0.463 3.376 ( 1.194 -1.491 -1.878) 2.679 3.405 ( 2.687 0.029 -2.704) 3.812 3.426 ( 1.658 -0.640 -2.206) 2.833 3.513 ( -1.440 1.527 2.387) 3.178 3.559 ( 0.574 -0.055 0.901) 1.070 3.584 ( -0.998 -1.367 0.250) 1.711 3.691 ( -1.645 1.455 4.311) 4.838 3.830 ( -0.257 -1.186 1.956) 2.302 3.958 ( 0.486 0.126 -0.028) 0.503 4.085 ( 0.717 1.310 -1.434) 2.070 4.151 ( -0.600 1.506 2.171) 2.709 4.278 ( 0.436 0.243 0.467) 0.683 4.483 ( -0.464 -2.353 0.219) 2.408 4.710 ( -0.834 1.004 0.576) 1.427 9.046 ( 0.228 1.166 0.041) 1.189 9.235 ( 0.333 3.501 0.486) 3.550 9.338 ( -1.498 -0.164 3.042) 3.395 11.449 ( -1.848 -4.428 -2.572) 5.444 12.416 ( 0.628 -0.140 -0.049) 0.645 12.566 ( -0.825 -0.459 -0.131) 0.953 12.588 ( 0.724 0.179 0.276) 0.795 12.761 ( -0.431 0.272 -0.148) 0.531 13.409 ( -0.586 0.768 0.025) 0.966 14.553 ( -11.732 -3.303 -4.818) 13.106 15.153 ( -0.287 0.664 2.624) 2.722 15.216 ( -0.287 0.793 -0.548) 1.005 17.088 ( -0.404 -0.049 0.772) 0.872 17.165 ( 0.281 0.328 -1.693) 1.748 17.216 ( 0.960 0.201 0.240) 1.010 17.261 ( -1.272 -1.248 1.039) 2.063 17.294 ( 2.633 -0.283 -0.071) 2.649 17.299 ( -0.519 0.224 0.207) 0.602 17.541 ( 1.084 -0.241 -0.192) 1.126 17.735 ( -0.069 0.209 0.206) 0.302 19.790 ( -1.614 -0.243 2.375) 2.882 20.278 ( -0.785 -0.652 0.740) 1.261 20.381 ( -1.794 -0.719 -0.966) 2.161 20.570 ( -0.345 -7.263 -3.032) 7.878 27.164 ( 0.095 0.104 -0.018) 0.142 27.253 ( -0.534 0.040 0.132) 0.551 27.444 ( -0.043 0.271 0.579) 0.640 27.500 ( 0.094 -0.232 -0.575) 0.627 30.333 ( 0.524 -0.914 0.471) 1.154 30.561 ( 0.103 -0.576 -0.943) 1.110 33.163 ( 0.339 0.772 2.580) 2.715 33.204 ( -1.134 -1.890 0.955) 2.403 33.666 ( 0.254 4.074 -1.579) 4.377 33.807 ( 0.077 -6.019 -2.736) 6.612 34.190 ( -1.560 0.631 -2.191) 2.762 34.468 ( 3.789 1.285 4.532) 6.045 34.740 ( -2.730 4.574 0.334) 5.337 35.195 ( 1.979 -0.672 -5.824) 6.188 35.504 ( -1.760 -1.437 6.846) 7.213 35.888 ( 2.512 0.285 -0.956) 2.703 39.626 ( -3.869 5.359 15.810) 17.136 41.247 ( 8.773 -1.145 -19.950) 21.824 45.362 ( -0.163 -0.053 0.305) 0.350 45.395 ( -0.230 -0.017 -0.475) 0.528 ======================= Grid point 91 (32/115) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -11.226 -5.119 2.765) 12.644 1.134 ( -3.352 13.621 5.085) 14.921 1.207 ( -4.817 6.375 2.782) 8.461 1.353 ( -0.874 10.765 3.575) 11.376 1.456 ( -8.128 6.757 -3.518) 11.140 1.554 ( 7.976 -4.353 -1.809) 9.265 1.720 ( 2.889 4.216 -7.302) 8.913 1.809 ( 2.197 -3.466 -2.994) 5.080 1.875 ( 0.115 -2.411 -2.026) 3.151 1.979 ( 8.584 2.239 -5.186) 10.276 2.053 ( -1.494 1.548 2.013) 2.947 2.178 ( 4.425 -1.037 -5.244) 6.939 2.194 ( -1.000 -0.172 -0.103) 1.020 2.274 ( -1.865 4.121 1.735) 4.844 2.357 ( -0.259 -4.583 -0.069) 4.591 2.420 ( 2.689 -4.563 -2.242) 5.751 2.465 ( -3.757 0.259 1.667) 4.119 2.550 ( 2.564 2.252 3.331) 4.769 2.667 ( -1.599 -2.877 -0.396) 3.315 2.819 ( 0.673 -0.285 0.888) 1.150 2.874 ( -3.463 -1.591 -4.469) 5.873 3.034 ( -4.421 0.661 2.713) 5.229 3.092 ( -1.008 1.870 -0.894) 2.305 3.176 ( 1.551 0.805 1.212) 2.126 3.208 ( 0.863 -0.588 -2.389) 2.607 3.294 ( 3.303 0.279 0.995) 3.461 3.387 ( 0.093 -0.066 0.453) 0.467 3.410 ( 2.069 1.213 -0.540) 2.458 3.436 ( -1.218 1.039 -2.206) 2.725 3.520 ( 2.314 -1.717 0.717) 2.969 3.569 ( 0.928 -0.898 0.358) 1.340 3.590 ( -1.124 0.666 2.016) 2.403 3.667 ( -2.279 -0.541 1.441) 2.750 3.836 ( -2.773 -0.087 2.631) 3.823 3.957 ( 2.773 1.319 -0.269) 3.082 4.047 ( 0.068 2.465 -1.676) 2.982 4.142 ( 1.246 0.259 2.826) 3.099 4.279 ( 1.213 -0.048 0.063) 1.216 4.523 ( -0.026 -1.665 0.324) 1.696 4.665 ( -2.194 2.565 0.286) 3.387 9.008 ( 2.520 3.808 -0.001) 4.567 9.144 ( 0.965 6.045 2.346) 6.556 9.308 ( -1.994 2.899 1.121) 3.693 11.532 ( -9.413 -8.604 -4.682) 13.585 12.432 ( 1.840 -0.612 -0.088) 1.941 12.569 ( -2.452 -1.151 -0.069) 2.710 12.591 ( 2.208 0.740 0.307) 2.349 12.744 ( -1.320 0.766 -0.221) 1.542 13.378 ( -1.735 1.510 0.164) 2.306 14.477 ( -32.829 -7.067 -6.969) 34.297 15.128 ( -0.973 1.551 1.842) 2.597 15.193 ( -1.334 1.243 -0.421) 1.871 17.081 ( -0.772 0.299 0.632) 1.041 17.150 ( 0.378 1.015 -2.133) 2.392 17.220 ( 0.998 0.132 0.485) 1.118 17.272 ( -1.530 -0.867 -0.163) 1.766 17.295 ( -0.611 -0.316 0.662) 0.955 17.338 ( 3.167 -1.420 1.013) 3.616 17.571 ( 4.235 -0.991 -0.267) 4.357 17.730 ( -0.028 0.177 0.118) 0.214 19.783 ( -3.726 -0.404 2.281) 4.387 20.297 ( -0.803 -1.949 0.224) 2.120 20.396 ( -1.333 -2.024 -0.642) 2.507 20.743 ( -10.217 -15.199 -6.402) 19.400 27.162 ( 0.739 0.207 0.020) 0.768 27.245 ( -1.373 0.067 0.119) 1.380 27.437 ( 0.091 0.616 0.456) 0.772 27.505 ( 0.065 -0.313 -0.896) 0.952 30.372 ( 1.423 -2.134 0.871) 2.709 30.582 ( 0.001 -1.754 -1.365) 2.223 33.152 ( 0.286 0.745 3.052) 3.155 33.256 ( -1.223 -3.934 1.473) 4.375 33.606 ( -0.805 2.014 0.587) 2.247 33.920 ( 0.150 -5.968 -3.512) 6.926 34.154 ( -0.317 1.955 -2.120) 2.901 34.444 ( -0.135 3.204 0.423) 3.235 34.609 ( 0.194 7.815 4.122) 8.838 35.200 ( 3.569 1.357 -6.680) 7.694 35.543 ( 0.209 -1.866 8.129) 8.343 35.915 ( 4.033 -0.919 -1.881) 4.544 39.444 ( -4.347 12.916 16.619) 21.493 41.303 ( 16.898 1.728 -23.980) 29.387 45.363 ( -0.315 -0.117 0.304) 0.453 45.391 ( -0.840 -0.113 -0.580) 1.027 ======================= Grid point 92 (33/115) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -12.894 3.396 10.572) 17.016 0.866 ( -7.495 14.323 -4.889) 16.889 1.033 ( 2.112 8.376 -3.503) 9.321 1.098 ( 1.026 7.103 17.260) 18.693 1.379 ( -5.910 0.902 4.047) 7.219 1.645 ( 6.135 0.807 -9.385) 11.241 1.711 ( 1.441 -3.266 -2.605) 4.419 1.867 ( 3.493 -2.313 -3.509) 5.464 1.914 ( 2.794 6.645 -7.618) 10.488 1.960 ( 1.310 -4.489 -0.432) 4.696 2.010 ( -0.670 1.912 0.563) 2.102 2.136 ( 2.847 0.971 0.229) 3.016 2.235 ( -1.897 -1.181 3.862) 4.462 2.285 ( 2.913 -2.409 -3.160) 4.927 2.408 ( -0.985 -0.355 -0.875) 1.365 2.454 ( 2.365 1.442 -0.265) 2.782 2.466 ( -0.224 2.613 3.884) 4.687 2.539 ( -3.614 -3.121 -2.551) 5.414 2.673 ( -5.614 -0.539 -1.403) 5.811 2.798 ( -0.284 1.036 1.239) 1.640 2.895 ( -0.493 0.128 -7.541) 7.558 2.959 ( -1.776 1.054 -0.819) 2.221 3.057 ( 0.258 1.207 2.043) 2.387 3.160 ( 0.410 0.524 -2.235) 2.332 3.286 ( 0.143 -2.543 -2.726) 3.730 3.300 ( 2.568 1.482 3.796) 4.817 3.350 ( -1.189 2.754 2.646) 4.000 3.403 ( 2.020 0.721 -1.634) 2.696 3.420 ( 0.688 -0.504 -1.242) 1.507 3.535 ( 0.323 0.756 2.125) 2.279 3.561 ( 0.933 0.769 0.528) 1.319 3.649 ( -0.017 -1.139 -0.388) 1.203 3.699 ( 2.250 -6.159 4.151) 7.761 3.804 ( -3.619 1.228 3.674) 5.301 3.940 ( 2.178 2.558 0.564) 3.406 4.004 ( 0.703 1.898 -2.348) 3.100 4.156 ( 0.456 -0.519 3.827) 3.889 4.311 ( 2.846 -1.959 -0.580) 3.504 4.537 ( -1.090 -0.059 1.033) 1.502 4.594 ( -1.793 3.034 -0.298) 3.537 8.941 ( 10.384 8.453 0.419) 13.396 9.054 ( -0.564 3.795 1.949) 4.303 9.202 ( -1.660 6.763 0.051) 6.964 11.568 ( -24.850 -8.195 -13.251) 29.330 12.465 ( 2.887 -1.007 0.067) 3.058 12.571 ( -3.001 -1.131 0.086) 3.208 12.592 ( 2.464 0.988 0.197) 2.662 12.713 ( -2.031 1.156 -0.343) 2.362 13.337 ( -2.569 1.014 0.307) 2.779 14.302 ( -50.563 -7.894 -15.213) 53.388 15.095 ( -0.721 1.460 1.059) 1.942 15.148 ( -1.773 2.086 -0.230) 2.747 17.074 ( -0.799 -0.201 0.374) 0.905 17.129 ( 0.116 0.867 -2.573) 2.717 17.228 ( 0.870 -0.062 0.594) 1.055 17.274 ( -0.604 -0.261 -0.011) 0.658 17.294 ( -0.846 0.026 0.776) 1.148 17.383 ( 1.090 -1.315 0.782) 1.879 17.635 ( 4.823 -1.980 0.121) 5.215 17.732 ( 0.501 -0.189 -0.130) 0.551 19.752 ( -4.466 0.894 2.157) 5.039 20.335 ( -0.871 -2.490 -0.250) 2.650 20.428 ( -0.353 -2.065 -0.708) 2.211 20.900 ( -27.056 -15.500 -18.031) 36.020 27.173 ( 1.638 -0.509 0.032) 1.715 27.233 ( -1.547 0.053 0.070) 1.549 27.425 ( 0.008 0.734 0.400) 0.836 27.508 ( -0.097 -0.194 -1.928) 1.941 30.423 ( 0.868 -1.838 1.670) 2.630 30.618 ( 0.630 -2.067 -2.024) 2.961 33.150 ( -0.420 0.113 3.445) 3.472 33.335 ( -0.609 -4.872 2.617) 5.564 33.581 ( -2.104 -0.171 3.870) 4.408 34.005 ( 1.565 -2.738 -2.882) 4.272 34.109 ( 0.486 2.433 -1.900) 3.125 34.326 ( -4.625 6.972 -5.407) 9.961 34.527 ( 4.066 3.060 8.985) 10.326 35.164 ( 4.526 4.676 -8.812) 10.955 35.606 ( 1.141 -2.980 10.103) 10.595 35.975 ( 5.445 -2.099 -2.910) 6.521 39.180 ( -5.495 13.089 18.440) 23.271 41.307 ( 23.741 10.494 -36.688) 44.942 45.363 ( -0.366 -0.165 0.277) 0.488 45.384 ( -1.455 -0.130 -0.749) 1.641 ======================= Grid point 93 (34/115) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 0.951 17.133 5.755) 18.099 0.516 ( -3.034 10.297 16.132) 19.377 0.894 ( 0.479 13.331 24.943) 28.286 1.132 ( -3.432 -6.451 5.181) 8.957 1.393 ( -3.999 -6.513 -2.785) 8.135 1.670 ( 6.952 1.908 -9.886) 12.236 1.710 ( -2.444 0.273 -5.025) 5.594 1.832 ( 2.265 2.464 -4.255) 5.413 1.948 ( 0.155 -1.802 -1.298) 2.226 2.007 ( 6.575 -1.495 3.071) 7.410 2.023 ( -3.469 -2.938 -4.005) 6.059 2.135 ( -3.202 -1.462 -2.753) 4.469 2.270 ( 1.440 -2.038 3.996) 4.711 2.310 ( -2.727 3.096 -1.641) 4.440 2.365 ( -0.241 -1.413 0.125) 1.439 2.411 ( -2.929 1.981 1.229) 3.743 2.449 ( 3.458 3.004 0.866) 4.662 2.539 ( -5.437 0.314 -3.636) 6.548 2.605 ( -2.703 3.532 -1.839) 4.813 2.783 ( 0.434 0.589 -3.684) 3.756 2.830 ( -2.000 1.441 -3.237) 4.069 2.985 ( 1.106 -1.288 -3.235) 3.654 3.064 ( 1.907 -0.424 -0.855) 2.132 3.159 ( 1.351 1.582 -2.543) 3.285 3.211 ( 0.372 3.143 -4.054) 5.143 3.310 ( -0.188 1.104 2.926) 3.133 3.360 ( 1.234 -1.046 -0.547) 1.707 3.381 ( 1.835 0.397 0.416) 1.923 3.475 ( 3.245 -2.232 -0.737) 4.007 3.529 ( -1.530 -0.758 4.144) 4.483 3.585 ( -1.050 -2.773 2.273) 3.736 3.639 ( -0.222 0.443 -0.555) 0.744 3.770 ( -2.522 -0.382 5.149) 5.746 3.843 ( 4.883 -1.725 3.874) 6.468 3.914 ( 0.968 0.821 3.396) 3.626 3.971 ( 1.508 2.174 -2.642) 3.739 4.214 ( 1.784 -5.095 7.342) 9.113 4.390 ( 5.293 -3.904 0.890) 6.637 4.510 ( -1.961 1.649 -0.061) 2.563 4.545 ( 1.587 1.346 1.903) 2.820 8.840 ( 22.140 15.585 -0.597) 27.082 9.003 ( -1.305 1.205 0.530) 1.854 9.060 ( -1.747 5.966 -0.454) 6.234 11.230 ( -85.778 10.780 -48.468) 99.112 12.508 ( 3.160 -1.035 0.637) 3.386 12.569 ( -3.025 -1.185 0.200) 3.255 12.591 ( 2.422 1.022 -0.158) 2.633 12.672 ( -2.390 1.333 -0.561) 2.794 13.309 ( -4.775 -0.918 0.259) 4.869 13.893 ( -64.531 6.418 -30.237) 71.552 15.068 ( -0.951 0.953 0.611) 1.478 15.103 ( -0.274 1.572 -0.255) 1.616 17.079 ( -0.650 -0.829 0.215) 1.076 17.113 ( -0.198 0.399 -1.996) 2.045 17.233 ( 0.661 0.346 0.002) 0.746 17.273 ( -0.990 -0.113 -0.447) 1.092 17.296 ( -0.060 -1.084 2.284) 2.529 17.398 ( -0.646 0.086 -0.622) 0.901 17.696 ( 1.853 -1.378 0.700) 2.413 17.745 ( 1.648 -0.456 -0.597) 1.811 19.702 ( -4.050 0.850 1.818) 4.520 20.362 ( -4.377 -1.420 -3.085) 5.540 20.461 ( 0.216 -1.442 -0.991) 1.762 20.683 ( -51.318 9.700 -37.871) 64.512 27.200 ( 1.249 -0.803 0.195) 1.498 27.223 ( -0.643 -0.049 -0.093) 0.652 27.414 ( -0.351 0.180 0.462) 0.607 27.491 ( -1.065 1.753 -3.438) 4.003 30.454 ( -0.015 -0.800 2.358) 2.490 30.656 ( 1.311 -1.395 -2.370) 3.047 33.151 ( -1.113 -0.107 3.631) 3.799 33.433 ( 0.351 -4.443 -0.649) 4.504 33.626 ( -3.907 -8.190 11.663) 14.777 34.036 ( 3.140 1.035 -3.105) 4.536 34.073 ( 1.337 1.433 -0.910) 2.161 34.149 ( -4.811 6.246 -3.025) 8.444 34.561 ( 3.012 -2.109 6.508) 7.475 35.034 ( 4.157 12.047 -11.637) 17.258 35.730 ( 0.749 -8.659 10.935) 13.968 36.041 ( 5.170 -0.309 -3.961) 6.520 39.022 ( -10.211 -2.319 21.317) 23.750 40.934 ( 14.908 45.897 -60.914) 77.713 45.364 ( -0.318 -0.130 0.220) 0.408 45.373 ( -1.149 0.078 -0.487) 1.250 ======================= Grid point 95 (35/115) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 1.630 0.000 22.514) 22.573 0.624 ( 11.642 0.000 18.452) 21.818 1.040 ( 18.350 0.000 28.215) 33.657 1.093 ( -5.283 -0.000 3.757) 6.482 1.341 ( -7.475 -0.000 -11.969) 14.111 1.441 ( -3.197 -0.000 -11.140) 11.589 1.801 ( 0.297 0.000 -5.680) 5.688 1.906 ( 3.525 0.000 0.163) 3.529 1.930 ( 2.042 0.000 0.587) 2.125 1.957 ( -6.716 -0.000 -2.890) 7.312 2.017 ( 2.849 0.000 -12.510) 12.830 2.172 ( -3.595 -0.000 -1.298) 3.822 2.199 ( -5.023 -0.000 -3.196) 5.953 2.217 ( 2.398 0.000 1.474) 2.815 2.229 ( 1.237 0.000 0.710) 1.426 2.408 ( 2.922 0.000 -1.879) 3.474 2.516 ( 0.658 0.000 2.417) 2.505 2.543 ( 2.487 0.000 0.646) 2.570 2.648 ( 5.710 0.000 -2.452) 6.214 2.720 ( 0.026 0.000 -8.793) 8.793 2.827 ( 1.515 0.000 0.940) 1.782 3.013 ( 1.497 0.000 -4.117) 4.381 3.063 ( -0.454 -0.000 0.711) 0.844 3.121 ( 2.133 0.000 -1.754) 2.761 3.241 ( 1.169 0.000 -5.042) 5.176 3.327 ( -0.895 -0.000 1.112) 1.428 3.330 ( -0.643 -0.000 1.582) 1.708 3.417 ( -2.581 -0.000 -1.420) 2.946 3.488 ( -2.043 -0.000 0.169) 2.050 3.505 ( -2.665 -0.000 0.494) 2.711 3.626 ( -2.991 -0.000 3.890) 4.907 3.688 ( 5.036 0.000 -2.693) 5.710 3.847 ( -3.659 -0.000 2.672) 4.531 3.873 ( 1.063 0.000 2.452) 2.672 3.923 ( -0.531 -0.000 -1.849) 1.924 3.940 ( 0.029 0.000 -1.673) 1.674 4.284 ( -2.504 -0.000 5.035) 5.623 4.314 ( -46.025 -0.000 26.947) 53.333 4.456 ( -2.641 -0.000 -0.147) 2.645 4.473 ( -1.971 -0.000 0.077) 1.973 8.999 ( 2.842 0.000 0.248) 2.853 9.013 ( 2.537 0.000 0.021) 2.537 9.348 ( 65.210 0.000 23.069) 69.170 10.367 ( 166.179 0.000 -94.807) 191.321 12.486 ( -3.476 -0.000 0.684) 3.543 12.571 ( -3.031 -0.000 -0.314) 3.047 12.625 ( 3.518 0.000 0.794) 3.606 12.661 ( 3.506 0.000 -0.878) 3.614 13.437 ( 13.546 0.000 1.135) 13.594 13.730 ( 80.056 0.000 -43.793) 91.251 15.063 ( 1.324 0.000 0.237) 1.345 15.100 ( 1.527 0.000 -0.148) 1.534 17.073 ( -1.708 -0.000 0.383) 1.750 17.101 ( 0.067 0.000 0.237) 0.246 17.245 ( -0.905 -0.000 -1.067) 1.399 17.245 ( 0.166 0.000 1.044) 1.057 17.266 ( -5.423 -0.000 2.719) 6.067 17.364 ( 0.766 0.000 1.006) 1.265 17.687 ( -2.987 -0.000 0.075) 2.988 17.751 ( -1.439 -0.000 -0.473) 1.514 19.807 ( 8.701 0.000 3.928) 9.547 19.861 ( 43.662 0.000 -23.702) 49.681 20.387 ( -0.967 -0.000 0.867) 1.299 20.531 ( 7.040 0.000 -0.933) 7.102 27.191 ( -1.739 -0.000 0.014) 1.739 27.229 ( -0.450 -0.000 0.170) 0.481 27.405 ( 0.095 0.000 0.351) 0.363 27.427 ( 0.056 0.000 -0.066) 0.087 30.448 ( -2.267 -0.000 2.315) 3.240 30.681 ( 0.421 0.000 -1.968) 2.013 33.143 ( -1.220 -0.000 3.823) 4.013 33.469 ( 1.368 0.000 -3.408) 3.673 33.750 ( -10.175 -0.000 6.730) 12.199 33.958 ( 1.981 0.000 -0.362) 2.014 34.060 ( -2.102 -0.000 0.700) 2.216 34.090 ( 1.472 0.000 -0.001) 1.472 34.569 ( -16.732 -0.000 10.114) 19.551 34.697 ( 0.134 0.000 1.368) 1.375 35.652 ( -18.053 -0.000 11.347) 21.323 35.982 ( -1.346 -0.000 0.205) 1.361 38.811 ( -18.270 -0.000 19.508) 26.727 39.798 ( 2.374 0.000 -3.532) 4.256 45.363 ( 0.121 0.000 0.041) 0.128 45.427 ( 3.265 0.000 -2.554) 4.145 ======================= Grid point 96 (36/115) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 4.473 8.998 14.434) 17.587 0.767 ( 9.262 -2.160 13.194) 16.264 1.031 ( -1.250 1.329 2.810) 3.351 1.213 ( -3.437 3.211 -7.587) 8.927 1.408 ( 16.673 -13.474 20.243) 29.484 1.547 ( -4.569 -12.247 -10.472) 16.749 1.773 ( 2.433 2.977 -6.044) 7.164 1.805 ( -5.205 4.765 -4.929) 8.608 1.875 ( -0.650 0.347 -1.555) 1.721 1.993 ( -1.155 0.238 2.480) 2.746 2.080 ( -4.978 -5.886 -0.662) 7.737 2.119 ( 0.658 1.499 -3.287) 3.672 2.188 ( -1.567 -1.431 -5.896) 6.266 2.264 ( -0.755 -3.620 -0.923) 3.811 2.282 ( -1.152 -1.303 1.534) 2.319 2.363 ( 2.843 5.990 -0.211) 6.634 2.477 ( -0.519 0.977 1.557) 1.910 2.552 ( 2.100 1.585 -1.191) 2.889 2.664 ( 3.809 0.703 -5.114) 6.416 2.717 ( 1.275 0.259 -4.677) 4.854 2.846 ( 2.161 -0.477 0.602) 2.293 3.013 ( 0.427 0.061 -4.858) 4.877 3.084 ( -0.016 -0.207 3.142) 3.149 3.137 ( 1.086 -0.708 -1.566) 2.033 3.238 ( -0.162 -0.257 -2.291) 2.311 3.276 ( -2.118 1.566 0.826) 2.761 3.356 ( -1.542 -1.075 2.739) 3.322 3.403 ( 2.106 -1.115 -1.461) 2.795 3.493 ( -2.678 -0.692 1.864) 3.335 3.524 ( -2.015 -3.199 -0.916) 3.890 3.559 ( -0.595 1.368 2.466) 2.883 3.688 ( 2.132 2.109 -1.011) 3.164 3.748 ( 1.356 5.276 0.353) 5.459 3.851 ( -6.373 0.438 5.144) 8.202 3.928 ( -0.783 -3.667 1.988) 4.244 4.035 ( 1.325 -2.321 -2.366) 3.569 4.199 ( -11.797 -0.166 10.914) 16.072 4.288 ( -9.756 -5.274 1.176) 11.152 4.413 ( -4.323 1.028 1.717) 4.764 4.527 ( -0.217 -4.685 -0.260) 4.697 8.995 ( 5.853 2.466 0.704) 6.390 9.068 ( 4.570 -1.842 0.557) 4.959 9.390 ( 65.678 25.621 3.238) 70.573 11.393 ( 43.784 -11.690 -32.185) 55.584 12.461 ( -2.975 0.225 0.605) 3.044 12.556 ( -3.189 -0.639 -0.366) 3.273 12.633 ( 3.645 1.480 0.326) 3.947 12.701 ( 2.700 -1.227 -0.327) 2.984 13.435 ( 17.781 7.470 -0.159) 19.287 14.428 ( 68.723 -5.533 -40.061) 79.739 15.078 ( 1.230 -0.827 0.195) 1.495 15.166 ( 6.264 -3.594 -2.069) 7.513 17.053 ( -0.649 0.491 -0.249) 0.851 17.101 ( -0.036 -0.113 -0.578) 0.590 17.215 ( -2.397 0.063 1.613) 2.890 17.258 ( -1.552 -0.298 -0.174) 1.590 17.265 ( -0.082 -0.885 0.144) 0.900 17.373 ( -0.031 -0.129 0.856) 0.867 17.652 ( -4.176 1.390 -0.410) 4.421 17.731 ( -2.163 0.229 -0.094) 2.177 19.809 ( 13.421 2.233 -0.316) 13.609 20.361 ( 1.594 -1.421 -3.023) 3.701 20.396 ( 9.563 -6.590 -10.045) 15.355 20.674 ( 31.344 -5.500 -21.894) 38.627 27.164 ( -2.041 0.979 -0.167) 2.270 27.235 ( -0.099 -0.736 0.181) 0.765 27.412 ( 0.268 -0.536 0.286) 0.664 27.458 ( -0.034 -2.128 -1.742) 2.750 30.434 ( -2.127 0.289 1.492) 2.614 30.667 ( 0.305 1.330 -1.785) 2.247 33.136 ( -1.587 0.352 3.982) 4.301 33.455 ( 1.442 3.230 -1.782) 3.961 33.591 ( -3.453 3.455 10.720) 11.781 34.002 ( -3.503 -2.582 0.181) 4.356 34.085 ( 2.379 -1.581 -3.905) 4.838 34.161 ( 3.313 -3.879 -1.059) 5.210 34.593 ( -6.162 -5.349 7.411) 11.023 34.806 ( -8.994 -12.381 -5.220) 16.168 35.548 ( -9.139 1.431 9.094) 12.972 35.976 ( -3.589 -0.176 -0.979) 3.724 38.857 ( -6.302 -11.693 16.712) 21.348 40.277 ( -12.914 -38.610 -21.378) 45.984 45.364 ( 0.282 0.081 0.083) 0.305 45.429 ( 2.145 1.208 -1.749) 3.020 ======================= Grid point 97 (37/115) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 14.883 -8.715 -0.925) 17.272 0.879 ( 7.941 -0.270 5.462) 9.642 1.023 ( -0.336 -0.425 6.473) 6.495 1.220 ( 2.834 -5.787 -2.087) 6.773 1.590 ( 2.038 0.718 -0.306) 2.182 1.694 ( -3.203 -0.602 -3.632) 4.879 1.749 ( -0.647 -4.676 -12.826) 13.667 1.827 ( -0.252 2.909 3.047) 4.221 1.876 ( 4.053 -5.711 8.110) 10.715 1.990 ( -2.886 -3.728 1.633) 4.989 2.090 ( -0.073 -1.207 0.796) 1.448 2.183 ( -0.496 -4.745 -0.697) 4.821 2.217 ( 1.597 -3.500 -7.730) 8.634 2.223 ( -0.906 5.122 4.302) 6.750 2.287 ( -1.625 1.877 0.127) 2.486 2.310 ( -0.493 -1.888 -4.739) 5.125 2.477 ( -1.663 0.289 0.773) 1.856 2.497 ( 2.361 4.109 0.556) 4.771 2.666 ( -2.492 -0.666 -10.444) 10.758 2.716 ( 1.949 0.589 0.821) 2.195 2.858 ( 2.609 1.756 1.147) 3.348 2.998 ( 0.251 0.840 -2.421) 2.574 3.096 ( -0.349 -1.491 4.346) 4.608 3.150 ( 1.757 -0.498 -1.629) 2.447 3.249 ( -3.955 -1.511 2.492) 4.913 3.275 ( 1.643 -1.979 -3.184) 4.093 3.374 ( -0.443 -0.481 2.100) 2.200 3.435 ( 1.241 -0.604 -1.697) 2.188 3.491 ( -1.848 -0.480 0.461) 1.965 3.546 ( -0.219 0.356 1.697) 1.748 3.562 ( 0.328 -0.349 -0.067) 0.483 3.669 ( 0.634 0.354 -0.720) 1.022 3.714 ( 1.921 -0.655 -0.393) 2.067 3.796 ( -8.162 1.519 7.647) 11.287 3.977 ( -0.699 -0.778 0.238) 1.072 4.030 ( -1.034 0.523 -1.578) 1.958 4.166 ( -5.094 -1.647 5.251) 7.499 4.293 ( -4.810 -0.268 0.237) 4.823 4.387 ( -2.752 -1.515 -0.675) 3.213 4.611 ( 0.106 -3.970 -0.128) 3.974 9.009 ( 6.879 1.155 0.371) 6.986 9.139 ( 5.182 -1.675 1.358) 5.613 9.474 ( 50.497 12.574 -1.143) 52.052 11.580 ( 10.746 3.275 -8.900) 14.332 12.437 ( -2.025 0.389 0.419) 2.104 12.544 ( -3.355 -0.731 -0.218) 3.441 12.631 ( 3.745 1.629 0.053) 4.085 12.736 ( 1.453 -0.926 -0.128) 1.727 13.447 ( 15.132 4.368 0.038) 15.750 14.718 ( 33.674 6.158 -14.702) 37.256 15.111 ( 1.472 -1.389 0.309) 2.047 15.263 ( 8.347 0.242 -1.248) 8.443 17.051 ( 0.357 -0.385 -0.387) 0.653 17.111 ( 0.047 -1.077 -1.448) 1.806 17.210 ( -2.170 -0.682 1.869) 2.944 17.238 ( -2.195 0.577 -0.822) 2.414 17.279 ( 0.785 -0.322 -0.018) 0.849 17.369 ( -0.541 0.550 0.904) 1.189 17.582 ( -4.093 1.980 -0.594) 4.585 17.720 ( -2.084 -0.642 0.166) 2.187 19.870 ( 11.590 1.934 0.403) 11.758 20.332 ( -1.282 1.682 0.694) 2.225 20.451 ( 3.370 1.732 -1.011) 3.922 20.824 ( 18.933 8.524 -17.376) 27.074 27.142 ( -0.698 -0.014 -0.291) 0.756 27.249 ( 0.286 -0.508 0.134) 0.599 27.427 ( 0.082 -0.691 0.479) 0.845 27.482 ( -0.128 -0.870 -1.560) 1.791 30.404 ( -1.431 1.721 0.598) 2.316 30.633 ( 0.023 2.084 -1.299) 2.456 33.124 ( -1.842 0.169 3.546) 4.000 33.377 ( 0.729 4.875 1.889) 5.279 33.594 ( 0.508 -1.316 3.868) 4.117 34.000 ( -0.939 1.633 -0.734) 2.021 34.127 ( 0.162 -2.136 -6.749) 7.081 34.256 ( 4.855 -4.015 1.923) 6.587 34.670 ( -3.235 -5.327 6.731) 9.173 34.946 ( -8.769 -10.445 -7.999) 15.810 35.491 ( -5.256 0.638 6.691) 8.533 35.938 ( -2.912 1.005 -1.298) 3.343 39.142 ( -3.497 -17.602 16.719) 24.528 40.737 ( -13.077 -25.177 -25.004) 37.817 45.365 ( 0.331 0.120 0.188) 0.399 45.417 ( 1.325 1.069 -0.924) 1.937 ======================= Grid point 98 (38/115) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 7.030 2.786 1.511) 7.711 1.034 ( 16.910 -12.766 -2.772) 21.368 1.134 ( 1.413 -7.891 2.674) 8.450 1.344 ( 0.655 -2.817 4.381) 5.249 1.584 ( 0.843 -1.357 -2.751) 3.181 1.675 ( -1.203 6.671 -1.443) 6.930 1.723 ( 2.916 -2.985 -3.617) 5.522 1.828 ( -6.002 -3.853 0.827) 7.180 1.977 ( 0.996 -3.087 -0.525) 3.286 1.995 ( 5.487 2.936 -6.292) 8.850 2.071 ( -7.080 2.927 1.182) 7.752 2.125 ( 1.372 3.332 0.354) 3.621 2.200 ( 0.193 0.643 -3.557) 3.620 2.263 ( -2.073 1.015 -1.531) 2.770 2.305 ( -1.744 -2.079 -1.321) 3.018 2.392 ( 3.093 2.485 -0.348) 3.982 2.433 ( -2.553 -8.217 -0.406) 8.614 2.542 ( 3.362 -2.992 5.403) 7.032 2.621 ( -1.051 2.632 -1.834) 3.376 2.711 ( -2.001 -2.276 -3.943) 4.973 2.835 ( 2.961 2.334 1.031) 3.909 3.001 ( 0.132 -1.224 -1.016) 1.596 3.139 ( 0.639 -2.213 2.265) 3.230 3.188 ( 1.685 -1.707 -1.161) 2.665 3.250 ( -3.674 -1.586 -0.075) 4.003 3.322 ( 2.286 -1.309 -1.319) 2.946 3.335 ( -2.665 3.539 2.329) 5.005 3.444 ( 0.665 -0.381 -3.745) 3.823 3.489 ( -1.613 0.634 1.231) 2.126 3.503 ( -1.156 2.101 0.780) 2.522 3.584 ( 1.301 0.289 0.483) 1.418 3.655 ( -2.721 2.590 0.685) 3.818 3.713 ( -3.284 0.848 5.396) 6.373 3.758 ( -0.680 -2.438 1.298) 2.844 3.958 ( 0.751 0.757 -1.358) 1.727 4.053 ( -0.981 -2.579 -0.281) 2.774 4.171 ( -3.294 -1.102 2.502) 4.281 4.268 ( -2.266 -0.261 0.843) 2.431 4.409 ( 0.065 -1.699 -1.103) 2.027 4.671 ( -1.377 -2.833 0.336) 3.168 9.044 ( 4.820 -0.028 0.059) 4.820 9.203 ( 2.612 -1.610 1.079) 3.252 9.602 ( 44.710 11.680 -0.355) 46.212 11.505 ( -0.752 5.976 -3.195) 6.818 12.421 ( -0.772 0.301 0.199) 0.852 12.533 ( -3.527 -0.788 -0.091) 3.615 12.628 ( 3.800 1.494 -0.023) 4.083 12.756 ( 0.256 -0.490 -0.077) 0.558 13.480 ( 13.109 3.558 0.032) 13.584 14.709 ( 10.594 9.614 -7.260) 16.043 15.146 ( 1.294 -0.952 0.902) 1.842 15.263 ( 0.616 2.319 0.937) 2.576 17.067 ( 0.357 -0.784 0.182) 0.881 17.131 ( -0.628 -1.476 -1.421) 2.143 17.204 ( -3.968 -1.223 0.901) 4.249 17.226 ( 0.979 0.146 0.321) 1.040 17.289 ( 1.058 -0.187 -0.227) 1.098 17.344 ( -1.244 1.456 0.485) 1.976 17.539 ( -0.853 0.412 -0.445) 1.046 17.721 ( -1.797 -0.884 0.240) 2.017 19.889 ( 9.320 4.390 1.405) 10.398 20.294 ( -1.226 1.323 0.719) 1.942 20.425 ( 1.681 2.660 -0.382) 3.170 20.666 ( 3.152 11.389 -6.675) 13.572 27.151 ( 0.914 -0.678 -0.204) 1.156 27.256 ( 0.033 -0.074 0.121) 0.146 27.438 ( -0.178 -0.473 0.650) 0.824 27.490 ( 0.084 -0.418 -0.982) 1.070 30.361 ( -0.160 2.002 0.259) 2.025 30.589 ( -0.782 1.916 -0.923) 2.266 33.120 ( -1.654 -0.640 2.807) 3.320 33.299 ( 0.810 4.326 1.461) 4.637 33.634 ( 0.476 -2.159 1.427) 2.631 33.917 ( 1.672 6.666 -4.101) 8.003 34.150 ( -1.593 -2.217 -3.473) 4.418 34.390 ( 4.442 -5.081 4.241) 7.971 34.750 ( -2.005 -3.850 2.724) 5.125 35.049 ( -5.422 -7.597 -6.231) 11.222 35.465 ( -3.589 -0.190 5.753) 6.784 35.904 ( -1.281 0.534 -1.022) 1.723 39.453 ( -3.254 -13.838 16.633) 21.880 40.990 ( -5.376 -14.492 -21.756) 26.688 45.365 ( 0.217 0.146 0.271) 0.377 45.406 ( 0.676 0.698 -0.590) 1.136 ======================= Grid point 99 (39/115) ======================= q-point: ( 0.56 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 6.462 5.227 2.361) 8.641 1.273 ( 2.186 -3.886 -4.924) 6.643 1.343 ( 4.219 -7.749 -2.581) 9.193 1.369 ( 1.626 -0.212 4.845) 5.115 1.507 ( -1.494 4.499 2.007) 5.148 1.648 ( 0.136 -2.035 -1.214) 2.374 1.803 ( 1.615 2.092 0.294) 2.659 1.858 ( 3.316 -3.623 -5.646) 7.484 1.912 ( 1.234 5.702 -1.800) 6.105 1.994 ( -1.294 -0.144 -1.397) 1.910 2.062 ( 5.950 -1.029 -5.472) 8.149 2.097 ( -0.821 -0.689 -2.354) 2.586 2.163 ( -4.242 0.808 3.053) 5.289 2.216 ( -3.799 0.469 -1.729) 4.200 2.339 ( -0.503 0.018 -0.154) 0.526 2.365 ( 2.493 -0.234 -1.613) 2.978 2.481 ( -2.353 -1.033 -0.086) 2.571 2.551 ( 1.202 -0.180 1.073) 1.622 2.662 ( -1.563 -2.668 1.426) 3.405 2.753 ( 3.892 0.590 1.560) 4.234 2.862 ( 0.072 -4.164 -0.516) 4.197 2.995 ( -2.239 2.281 -1.485) 3.525 3.187 ( -2.171 1.765 -1.166) 3.031 3.198 ( 1.953 -1.172 2.044) 3.060 3.226 ( -4.333 -0.536 0.532) 4.399 3.312 ( 1.323 -2.573 -1.564) 3.289 3.329 ( 0.191 2.475 -0.852) 2.624 3.410 ( -0.944 0.907 -1.405) 1.920 3.448 ( 1.725 0.703 -3.399) 3.877 3.508 ( -3.026 -1.448 1.141) 3.544 3.565 ( 0.297 1.953 1.335) 2.384 3.587 ( -2.173 1.541 1.445) 3.031 3.712 ( -0.225 0.507 4.661) 4.694 3.793 ( -2.161 -1.981 1.907) 3.497 3.967 ( 2.428 -0.354 -0.753) 2.567 4.087 ( -0.393 -1.218 -0.766) 1.491 4.166 ( -1.058 0.181 1.775) 2.074 4.265 ( -2.343 -0.901 0.860) 2.654 4.448 ( 2.131 -1.729 0.048) 2.745 4.693 ( -3.100 -1.193 0.576) 3.371 9.070 ( 3.175 0.594 0.057) 3.231 9.232 ( -1.216 -0.601 0.097) 1.360 9.673 ( 42.038 14.824 2.304) 44.635 11.383 ( -8.471 1.998 -2.494) 9.054 12.418 ( 0.526 -0.113 0.066) 0.542 12.523 ( -3.527 -0.952 -0.088) 3.654 12.631 ( 3.722 1.234 0.132) 3.924 12.758 ( -0.776 -0.021 -0.128) 0.787 13.495 ( 11.350 4.541 -0.066) 12.225 14.507 ( -13.315 8.799 -4.252) 16.516 15.162 ( -0.056 0.014 1.745) 1.746 15.227 ( -1.019 0.938 0.047) 1.385 17.080 ( -0.328 -0.526 0.669) 0.912 17.153 ( -0.347 -1.407 -1.222) 1.896 17.212 ( -1.864 -1.565 0.117) 2.437 17.233 ( 0.619 -0.013 0.595) 0.859 17.300 ( -0.109 0.107 -0.096) 0.181 17.310 ( 0.130 0.744 0.219) 0.786 17.549 ( 2.884 -0.538 -0.159) 2.938 17.724 ( -1.830 -0.676 0.271) 1.970 19.854 ( 5.655 5.157 2.460) 8.039 20.268 ( -1.871 0.457 0.293) 1.948 20.371 ( -2.451 2.329 -0.873) 3.492 20.527 ( -0.426 2.393 -2.786) 3.697 27.169 ( 1.468 -0.160 -0.079) 1.479 27.252 ( -0.759 0.269 0.127) 0.815 27.445 ( -0.154 -0.213 0.666) 0.716 27.496 ( 0.177 -0.230 -0.642) 0.705 30.339 ( 1.499 0.687 0.399) 1.697 30.554 ( -1.541 0.629 -0.898) 1.891 33.136 ( -1.158 -1.807 2.212) 3.082 33.234 ( 0.453 3.295 1.240) 3.550 33.691 ( 0.187 -3.418 -0.584) 3.473 33.791 ( 1.222 6.290 -3.766) 7.433 34.172 ( -0.622 -1.297 -1.424) 2.024 34.486 ( 0.693 -1.892 3.679) 4.194 34.783 ( 1.032 0.347 0.617) 1.251 35.133 ( -1.955 -5.241 -5.228) 7.657 35.468 ( -2.345 -1.455 6.137) 6.729 35.897 ( 0.078 -0.292 -0.947) 0.994 39.633 ( -3.540 -4.662 15.975) 17.013 41.158 ( 2.129 -8.905 -19.749) 21.768 45.363 ( 0.022 0.141 0.301) 0.333 45.398 ( 0.157 0.454 -0.462) 0.667 ======================= Grid point 100 (40/115) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 2.901 6.355 0.395) 6.997 1.226 ( -10.515 4.445 -1.512) 11.515 1.323 ( -0.758 6.588 4.645) 8.097 1.386 ( -0.505 -1.322 -0.382) 1.466 1.538 ( 2.632 -2.353 -3.266) 4.809 1.666 ( 0.988 11.977 0.911) 12.052 1.740 ( 5.106 -3.571 -3.845) 7.322 1.843 ( 2.647 3.542 -2.848) 5.260 1.868 ( 2.023 1.666 -6.615) 7.115 2.041 ( 6.737 -2.245 -3.180) 7.781 2.052 ( -4.298 0.430 2.722) 5.105 2.096 ( -0.445 -2.801 -2.677) 3.900 2.192 ( 1.888 -3.601 -1.757) 4.429 2.261 ( 1.796 -2.242 0.628) 2.940 2.334 ( 1.203 -1.859 -2.641) 3.447 2.402 ( 0.404 0.343 1.342) 1.443 2.462 ( -4.600 3.614 0.175) 5.852 2.575 ( 0.466 -1.621 2.724) 3.204 2.652 ( 0.052 0.621 1.482) 1.607 2.771 ( -0.074 -1.796 1.051) 2.082 2.892 ( -1.872 4.156 -2.087) 5.013 2.954 ( -1.971 -4.848 1.164) 5.361 3.119 ( -1.718 2.355 -2.276) 3.698 3.187 ( -2.353 0.186 -0.568) 2.428 3.246 ( 1.973 2.822 -1.260) 3.667 3.300 ( 1.720 -2.265 1.064) 3.036 3.381 ( 0.536 -2.079 -2.487) 3.286 3.420 ( -0.289 -1.273 -2.086) 2.461 3.440 ( 1.537 0.899 -0.091) 1.782 3.497 ( -1.409 -0.059 0.699) 1.573 3.554 ( -1.578 -1.108 1.220) 2.282 3.571 ( -0.858 -0.490 1.385) 1.701 3.690 ( -0.319 2.459 3.988) 4.696 3.806 ( -3.226 -1.076 2.240) 4.072 3.992 ( 3.220 0.050 -0.314) 3.235 4.079 ( -0.930 1.321 -1.356) 2.110 4.164 ( 1.279 0.384 2.428) 2.771 4.269 ( -1.739 -1.071 0.834) 2.206 4.496 ( 2.271 -1.392 0.373) 2.690 4.673 ( -3.811 0.653 0.408) 3.888 9.068 ( 2.572 1.736 0.152) 3.107 9.205 ( -3.515 1.420 -0.413) 3.813 9.675 ( 38.170 16.864 5.890) 42.143 11.312 ( -15.138 -4.027 -5.345) 16.551 12.433 ( 1.705 -0.625 -0.036) 1.816 12.518 ( -3.387 -1.261 -0.168) 3.618 12.635 ( 3.277 1.144 0.482) 3.504 12.746 ( -1.417 0.458 -0.300) 1.519 13.475 ( 9.937 5.788 0.126) 11.501 14.218 ( -28.944 3.898 -3.855) 29.459 15.152 ( -0.589 1.005 1.610) 1.987 15.207 ( -0.561 0.936 -0.536) 1.216 17.081 ( -0.699 0.155 0.695) 0.998 17.164 ( 0.474 0.206 -1.831) 1.903 17.228 ( 0.215 -0.666 -0.420) 0.816 17.237 ( -1.135 -0.698 0.308) 1.368 17.285 ( -1.030 -0.182 1.032) 1.470 17.330 ( 1.258 -1.116 0.213) 1.696 17.592 ( 5.097 -0.705 0.043) 5.146 17.720 ( -2.088 -0.458 0.250) 2.152 19.803 ( 1.437 3.328 3.496) 5.036 20.256 ( -2.229 -1.390 -1.390) 2.972 20.339 ( -2.922 -1.259 -0.141) 3.185 20.532 ( -2.200 -3.437 -3.478) 5.363 27.177 ( 1.635 0.420 0.004) 1.688 27.237 ( -1.706 0.346 0.126) 1.745 27.446 ( 0.032 0.172 0.555) 0.582 27.499 ( 0.055 -0.149 -0.608) 0.629 30.358 ( 2.273 -0.948 0.915) 2.627 30.545 ( -1.469 -1.166 -1.210) 2.232 33.175 ( 0.184 -1.184 2.270) 2.567 33.193 ( -0.937 0.070 1.334) 1.631 33.669 ( 0.849 4.727 -1.616) 5.067 33.796 ( -0.330 -5.939 -2.609) 6.495 34.179 ( 0.724 0.567 -0.553) 1.073 34.479 ( -3.346 1.655 -0.206) 3.739 34.751 ( 2.994 4.880 3.739) 6.838 35.194 ( 0.922 -2.520 -6.283) 6.833 35.507 ( -1.051 -2.682 7.355) 7.899 35.911 ( 0.902 -1.088 -1.549) 2.096 39.624 ( -3.758 5.591 16.120) 17.471 41.297 ( 7.145 -6.108 -21.518) 23.482 45.361 ( -0.135 0.079 0.290) 0.329 45.390 ( -0.205 0.351 -0.395) 0.567 ======================= Grid point 101 (41/115) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -4.464 3.132 -0.239) 5.458 1.022 ( -11.604 7.218 4.318) 14.332 1.207 ( 2.734 6.609 -0.175) 7.154 1.294 ( -7.728 14.350 -1.136) 16.338 1.413 ( 2.294 1.944 2.643) 4.004 1.660 ( 5.619 -2.249 -4.788) 7.718 1.769 ( 5.736 5.240 -2.525) 8.169 1.851 ( 5.567 -2.213 -5.589) 8.194 1.869 ( 0.296 -2.673 -2.579) 3.726 2.034 ( -0.224 1.631 0.480) 1.715 2.076 ( 2.953 3.917 -2.171) 5.364 2.167 ( -0.367 -2.207 -1.030) 2.463 2.234 ( 3.111 2.586 -0.523) 4.079 2.261 ( 0.540 2.486 -0.541) 2.600 2.323 ( -4.391 -5.733 2.097) 7.520 2.402 ( -2.407 -3.102 -1.494) 4.201 2.448 ( -1.168 -2.426 -0.094) 2.694 2.607 ( -4.044 3.909 2.395) 6.113 2.613 ( 1.839 -0.672 1.716) 2.604 2.799 ( -3.325 -0.329 -4.559) 5.653 2.866 ( 4.805 -2.284 -1.841) 5.630 2.979 ( -3.114 1.320 0.175) 3.386 3.086 ( 0.470 0.942 -0.013) 1.053 3.163 ( -1.388 0.499 -0.871) 1.713 3.237 ( 1.764 -1.424 -1.885) 2.948 3.346 ( 2.672 0.200 2.730) 3.825 3.379 ( -1.785 1.259 2.121) 3.045 3.413 ( -0.211 0.287 -2.220) 2.248 3.432 ( 0.875 0.677 -0.092) 1.110 3.549 ( 0.809 -1.696 -1.162) 2.210 3.579 ( -0.944 -2.803 3.640) 4.690 3.582 ( 0.701 -2.299 0.505) 2.455 3.650 ( 0.347 1.255 1.891) 2.296 3.792 ( -3.703 0.093 2.369) 4.397 4.003 ( 2.943 1.645 0.186) 3.376 4.032 ( -1.240 1.794 -1.678) 2.751 4.171 ( 1.125 0.601 3.174) 3.421 4.288 ( -0.060 -1.721 -0.047) 1.722 4.524 ( 0.362 -0.225 0.665) 0.789 4.623 ( -2.704 1.868 -0.409) 3.312 9.049 ( 2.145 2.078 0.258) 2.997 9.136 ( -2.916 2.994 -0.333) 4.193 9.615 ( 29.307 17.888 9.755) 35.694 11.257 ( -20.464 -4.281 -13.373) 24.818 12.465 ( 2.589 -1.081 -0.074) 2.807 12.520 ( -3.095 -1.441 -0.259) 3.424 12.635 ( 2.081 1.203 0.885) 2.561 12.721 ( -1.291 1.005 -0.615) 1.748 13.428 ( 7.362 6.145 1.020) 9.644 13.951 ( -27.930 0.908 -7.129) 28.840 15.126 ( -0.244 1.606 0.988) 1.901 15.176 ( -0.444 1.802 -0.253) 1.873 17.070 ( -0.857 0.391 0.358) 1.008 17.148 ( 0.387 1.256 -2.641) 2.950 17.236 ( 0.832 0.093 0.168) 0.853 17.247 ( -1.411 -1.213 -0.396) 1.902 17.292 ( -0.450 -0.496 1.743) 1.867 17.361 ( 0.242 -1.436 0.213) 1.472 17.644 ( 4.444 -0.900 0.459) 4.558 17.717 ( -1.651 -0.848 -0.028) 1.856 19.763 ( -1.159 1.924 4.294) 4.846 20.287 ( 0.395 -2.596 -2.688) 3.757 20.361 ( -3.042 -3.184 -0.155) 4.407 20.585 ( -5.760 -5.599 -7.683) 11.116 27.184 ( 1.999 0.173 0.093) 2.009 27.218 ( -2.275 0.060 0.078) 2.277 27.440 ( 0.066 0.633 0.458) 0.784 27.501 ( -0.064 -0.183 -1.050) 1.067 30.400 ( 1.249 -1.642 1.668) 2.654 30.572 ( -0.294 -2.496 -1.737) 3.055 33.161 ( -0.486 0.887 2.348) 2.557 33.250 ( -0.356 -4.199 2.233) 4.769 33.601 ( -0.181 2.656 0.817) 2.784 33.912 ( 0.402 -6.506 -3.685) 7.488 34.160 ( 1.632 2.198 -0.015) 2.738 34.387 ( -4.718 4.316 -4.829) 8.013 34.672 ( 3.418 6.557 8.372) 11.170 35.212 ( 1.633 0.390 -8.015) 8.189 35.567 ( -1.003 -2.814 8.520) 9.029 35.948 ( 1.332 -2.465 -2.618) 3.835 39.439 ( -4.181 13.329 17.398) 22.312 41.403 ( 8.196 -2.875 -29.336) 30.594 45.360 ( -0.184 -0.025 0.249) 0.311 45.381 ( -0.247 0.328 -0.301) 0.509 ======================= Grid point 102 (42/115) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( -11.073 -0.483 5.402) 12.330 0.781 ( -2.799 14.024 1.777) 14.411 1.041 ( -1.534 3.743 4.290) 5.897 1.197 ( 3.476 -0.731 2.508) 4.348 1.345 ( 1.452 9.002 10.012) 13.542 1.678 ( 4.395 2.137 -7.139) 8.651 1.757 ( 4.280 0.835 -4.516) 6.277 1.865 ( -1.902 -0.354 -3.416) 3.925 1.898 ( -3.678 0.877 -4.382) 5.788 1.986 ( 6.778 0.147 -5.839) 8.948 2.059 ( 4.536 0.336 1.429) 4.767 2.147 ( -0.775 2.726 -1.019) 3.012 2.206 ( -4.277 -2.114 2.677) 5.471 2.320 ( -8.216 -0.284 3.676) 9.005 2.334 ( 2.094 -2.134 -2.043) 3.621 2.449 ( -2.558 0.781 2.375) 3.577 2.470 ( -2.586 -3.604 -3.068) 5.394 2.504 ( 2.035 3.298 -0.860) 3.969 2.629 ( 0.712 0.849 -0.378) 1.171 2.794 ( -0.337 -0.328 -2.087) 2.139 2.858 ( -1.973 3.752 -4.991) 6.549 2.967 ( 3.072 -1.530 -2.686) 4.358 3.072 ( 1.051 0.608 1.081) 1.625 3.158 ( -0.500 -0.878 -1.040) 1.450 3.253 ( -0.897 1.343 -3.399) 3.763 3.328 ( -1.526 1.641 3.682) 4.310 3.348 ( 0.084 0.601 3.012) 3.072 3.409 ( 0.183 1.010 -0.484) 1.135 3.459 ( 3.783 -2.005 -0.155) 4.284 3.545 ( -0.078 1.059 0.471) 1.162 3.571 ( 0.142 0.450 0.466) 0.663 3.637 ( -0.259 -0.505 0.594) 0.821 3.715 ( -2.703 -2.273 2.085) 4.101 3.816 ( 3.505 -5.469 7.076) 9.606 3.958 ( -0.075 3.050 0.253) 3.061 4.017 ( 2.188 0.763 -2.216) 3.206 4.174 ( 0.084 -0.589 4.599) 4.637 4.338 ( 1.400 -3.479 -0.565) 3.793 4.508 ( -2.699 0.935 0.399) 2.884 4.575 ( -0.029 2.011 -0.832) 2.177 9.024 ( 0.585 1.761 0.463) 1.912 9.061 ( -1.234 3.137 -0.580) 3.420 9.424 ( 2.335 18.438 10.993) 21.593 11.069 ( -9.898 10.397 -31.711) 34.809 12.504 ( 0.465 -1.219 0.345) 1.349 12.529 ( -0.141 -1.402 -0.449) 1.479 12.623 ( 0.037 0.995 0.931) 1.363 12.689 ( -0.042 1.610 -0.884) 1.837 13.352 ( -0.344 4.873 1.757) 5.191 13.768 ( -2.441 4.849 -13.832) 14.859 15.093 ( -0.173 1.752 0.544) 1.842 15.140 ( 0.964 2.036 0.043) 2.253 17.062 ( -0.867 -0.239 0.005) 0.899 17.122 ( 0.107 1.061 -2.787) 2.984 17.241 ( 0.368 -0.079 0.645) 0.747 17.254 ( -1.169 -0.499 -0.645) 1.425 17.297 ( -0.188 0.027 2.118) 2.126 17.382 ( -0.862 -0.856 -0.304) 1.252 17.682 ( 0.137 -1.179 0.908) 1.494 17.733 ( 0.504 -1.268 -0.437) 1.433 19.722 ( -1.519 2.307 4.197) 5.025 20.332 ( 2.343 -1.208 -4.005) 4.795 20.402 ( -3.027 -3.146 -2.044) 4.820 20.585 ( -4.956 1.015 -15.118) 15.942 27.196 ( -0.593 -0.301 0.261) 0.714 27.210 ( 0.363 -0.536 -0.095) 0.654 27.426 ( -0.055 0.858 0.448) 0.969 27.498 ( -0.237 0.283 -2.070) 2.102 30.436 ( -0.293 -1.368 2.159) 2.573 30.621 ( 0.843 -2.617 -2.031) 3.418 33.150 ( -1.078 0.209 2.885) 3.087 33.341 ( 0.252 -5.094 2.688) 5.765 33.571 ( -1.143 0.426 4.319) 4.488 34.014 ( 1.044 -3.995 -3.306) 5.290 34.127 ( 2.453 2.665 0.261) 3.631 34.240 ( -4.249 6.640 -6.130) 9.986 34.610 ( 2.748 3.622 9.332) 10.381 35.165 ( 0.215 4.246 -10.863) 11.665 35.624 ( -3.756 -3.613 9.654) 10.970 36.008 ( 0.404 -3.282 -3.531) 4.838 39.160 ( -5.710 14.666 18.950) 24.634 41.339 ( -0.632 10.210 -45.840) 46.968 45.360 ( -0.141 -0.110 0.184) 0.256 45.376 ( 0.651 0.163 -0.100) 0.679 ======================= Grid point 105 (43/115) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 6.277 0.000 16.472) 17.628 0.853 ( 11.222 0.000 15.158) 18.860 1.040 ( -2.537 -0.000 0.267) 2.551 1.165 ( -4.844 -0.000 -13.479) 14.323 1.357 ( -2.075 -0.000 -14.280) 14.430 1.445 ( 18.252 0.000 23.855) 30.036 1.778 ( -0.757 -0.000 -5.496) 5.548 1.816 ( -9.088 -0.000 -6.669) 11.273 1.911 ( -10.850 -0.000 -3.798) 11.496 1.945 ( 2.245 0.000 -0.933) 2.431 1.966 ( -0.047 -0.000 4.316) 4.316 2.085 ( -7.281 -0.000 0.114) 7.281 2.140 ( -1.156 -0.000 -2.031) 2.337 2.244 ( 3.969 0.000 -3.360) 5.200 2.316 ( 5.241 0.000 -2.582) 5.843 2.426 ( 0.939 0.000 -3.034) 3.176 2.502 ( -2.646 -0.000 1.709) 3.150 2.596 ( 4.138 0.000 -1.782) 4.506 2.705 ( 2.765 0.000 -1.858) 3.332 2.726 ( 4.803 0.000 -5.418) 7.240 2.861 ( 2.774 0.000 1.007) 2.951 2.999 ( -0.352 -0.000 -5.079) 5.091 3.090 ( 2.552 0.000 2.613) 3.653 3.140 ( 1.355 0.000 -1.679) 2.157 3.232 ( -0.263 -0.000 -2.391) 2.405 3.287 ( -5.033 -0.000 1.223) 5.180 3.321 ( -1.030 -0.000 1.702) 1.990 3.406 ( 1.726 0.000 -2.282) 2.861 3.457 ( -2.263 -0.000 0.575) 2.335 3.464 ( -2.905 -0.000 0.220) 2.913 3.595 ( -3.286 -0.000 4.053) 5.218 3.698 ( -7.134 -0.000 5.966) 9.300 3.796 ( -3.891 -0.000 1.289) 4.099 3.853 ( -2.328 -0.000 0.300) 2.347 3.903 ( -0.452 -0.000 1.216) 1.297 3.917 ( 0.049 0.000 -0.962) 0.963 4.075 ( -3.870 -0.000 8.282) 9.142 4.276 ( -0.472 -0.000 2.661) 2.702 4.423 ( -1.923 -0.000 -0.863) 2.108 4.429 ( -4.031 -0.000 0.759) 4.102 9.049 ( 3.910 0.000 -0.160) 3.914 9.061 ( 3.789 0.000 0.021) 3.789 10.372 ( 53.987 0.000 28.756) 61.167 11.526 ( 43.860 0.000 -41.683) 60.508 12.442 ( -2.893 -0.000 0.796) 3.000 12.526 ( -2.761 -0.000 -0.643) 2.834 12.673 ( 2.688 0.000 0.767) 2.796 12.708 ( 2.969 0.000 -0.551) 3.020 13.776 ( 30.588 0.000 8.905) 31.858 14.847 ( 78.404 0.000 -67.729) 103.607 15.104 ( 9.023 0.000 -5.178) 10.403 15.126 ( 1.893 0.000 0.104) 1.896 17.052 ( -0.991 -0.000 -0.249) 1.022 17.104 ( 0.198 0.000 0.572) 0.605 17.201 ( -3.613 -0.000 2.755) 4.544 17.232 ( -0.170 -0.000 -1.032) 1.046 17.266 ( 0.905 0.000 0.542) 1.055 17.371 ( -0.355 -0.000 0.856) 0.926 17.627 ( -4.931 -0.000 -0.669) 4.976 17.721 ( -2.308 -0.000 -0.745) 2.425 19.984 ( 11.902 0.000 8.992) 14.917 20.318 ( 17.799 0.000 -21.396) 27.832 20.375 ( -1.155 -0.000 0.423) 1.230 20.880 ( 54.171 0.000 -38.275) 66.329 27.161 ( -2.197 -0.000 -0.057) 2.198 27.217 ( -1.271 -0.000 0.301) 1.306 27.415 ( 1.239 0.000 -0.665) 1.406 27.428 ( 0.111 0.000 -0.086) 0.140 30.415 ( -3.151 -0.000 2.285) 3.893 30.678 ( 0.268 0.000 -2.132) 2.149 33.138 ( -1.540 -0.000 4.847) 5.086 33.481 ( 1.709 0.000 -3.204) 3.632 33.640 ( -8.425 -0.000 11.130) 13.960 33.989 ( 2.517 0.000 -0.620) 2.593 34.009 ( -5.186 -0.000 2.906) 5.945 34.117 ( 2.008 0.000 0.124) 2.011 34.429 ( -7.049 -0.000 9.121) 11.528 34.696 ( -0.872 -0.000 0.973) 1.306 35.516 ( -6.751 -0.000 7.755) 10.282 35.941 ( -4.063 -0.000 -0.283) 4.073 38.722 ( -4.717 -0.000 14.184) 14.947 39.805 ( 0.014 0.000 -2.783) 2.783 45.368 ( 0.414 0.000 0.117) 0.430 45.451 ( 1.452 0.000 -2.369) 2.778 ======================= Grid point 106 (44/115) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 10.229 5.974 4.275) 12.593 0.963 ( 11.911 -0.365 7.703) 14.189 1.043 ( 0.644 -0.568 3.158) 3.273 1.168 ( 1.124 -0.286 -4.451) 4.599 1.435 ( -5.665 -12.289 -11.851) 17.988 1.663 ( -3.157 0.944 -3.378) 4.719 1.688 ( 4.937 -3.646 7.892) 9.998 1.776 ( 0.036 -2.680 -2.738) 3.831 1.860 ( -4.078 1.320 0.466) 4.312 1.967 ( -3.199 -3.672 2.570) 5.507 2.022 ( -0.169 -2.656 3.923) 4.740 2.063 ( -7.293 -3.539 1.489) 8.242 2.144 ( 1.296 -1.016 -2.332) 2.855 2.283 ( 2.170 -0.958 -0.444) 2.414 2.300 ( 2.031 2.047 -6.000) 6.657 2.391 ( 0.977 5.189 -1.539) 5.500 2.468 ( -0.974 0.488 -0.264) 1.121 2.584 ( 2.639 2.862 -1.655) 4.230 2.691 ( 3.870 2.672 -5.502) 7.238 2.756 ( 3.537 1.150 -0.097) 3.720 2.889 ( 3.269 -0.392 0.536) 3.336 2.997 ( -0.129 -0.411 -3.668) 3.694 3.104 ( 0.414 1.250 3.840) 4.059 3.151 ( 1.886 -0.593 -2.576) 3.248 3.216 ( -2.800 0.478 2.146) 3.560 3.247 ( -1.401 -0.685 -2.363) 2.831 3.346 ( -0.846 -2.047 1.240) 2.539 3.422 ( -0.350 -0.685 1.514) 1.699 3.461 ( -1.696 -1.384 -1.753) 2.805 3.487 ( -1.579 -3.431 -0.081) 3.778 3.555 ( -1.386 -0.803 2.841) 3.261 3.680 ( -4.713 -0.463 1.524) 4.975 3.734 ( -5.048 2.253 4.606) 7.195 3.802 ( 1.323 3.779 0.192) 4.008 3.910 ( -1.556 -3.515 0.154) 3.847 4.013 ( -3.834 -3.358 -1.393) 5.284 4.090 ( -1.984 -1.769 4.318) 5.071 4.245 ( -1.412 0.870 0.032) 1.659 4.366 ( -2.571 0.449 2.006) 3.291 4.514 ( -1.258 -5.981 -0.461) 6.130 9.059 ( 4.084 0.727 0.195) 4.153 9.125 ( 3.360 -2.473 0.023) 4.172 10.434 ( 58.822 28.517 12.644) 66.581 11.691 ( 13.686 2.091 -15.760) 20.977 12.425 ( -2.288 -0.097 0.805) 2.427 12.511 ( -2.536 -0.428 -0.690) 2.663 12.681 ( 2.775 1.045 0.398) 2.992 12.733 ( 1.736 -0.566 -0.269) 1.846 13.829 ( 34.445 16.276 5.138) 38.442 15.024 ( 20.190 6.111 -14.424) 25.555 15.100 ( 1.584 -0.555 0.172) 1.687 15.371 ( 29.697 -0.127 -21.770) 36.822 17.047 ( 0.102 -0.093 -0.785) 0.797 17.101 ( 0.185 0.161 0.065) 0.253 17.185 ( -2.667 -0.174 1.598) 3.114 17.234 ( -0.159 0.006 -0.792) 0.808 17.277 ( 0.731 -0.397 0.451) 0.946 17.368 ( -1.298 -0.026 0.509) 1.395 17.583 ( -4.345 0.969 -1.148) 4.597 17.693 ( -2.803 0.218 -0.129) 2.814 20.027 ( 14.707 3.887 2.907) 15.488 20.350 ( -1.374 1.159 0.221) 1.811 20.462 ( 3.833 -4.322 -2.494) 6.293 21.151 ( 42.405 9.177 -37.074) 57.069 27.139 ( -1.032 0.314 -0.312) 1.122 27.226 ( -1.182 -1.487 0.246) 1.916 27.421 ( 0.881 -0.195 0.046) 0.904 27.453 ( -0.051 -1.646 -1.263) 2.075 30.406 ( -2.103 -0.486 1.094) 2.420 30.663 ( 0.005 1.407 -1.955) 2.408 33.127 ( -1.758 0.657 5.080) 5.415 33.466 ( 0.457 3.337 -0.561) 3.415 33.585 ( -1.706 -0.170 8.317) 8.492 33.962 ( -2.461 -1.822 1.348) 3.346 34.106 ( 2.158 -1.727 -3.651) 4.579 34.194 ( 1.214 -6.872 -0.656) 7.009 34.499 ( -6.893 -8.993 4.847) 12.324 34.718 ( -3.531 -4.354 0.010) 5.606 35.482 ( -3.926 0.615 5.885) 7.101 35.913 ( -4.388 -0.301 -1.239) 4.570 38.847 ( -2.565 -12.791 14.110) 19.217 40.087 ( -6.722 -26.942 -11.059) 29.889 45.370 ( 0.443 0.103 0.222) 0.506 45.445 ( 1.073 1.050 -1.670) 2.245 ======================= Grid point 107 (45/115) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 17.619 -7.901 -0.684) 19.321 1.034 ( 7.546 1.841 0.451) 7.780 1.064 ( 6.575 -2.606 4.790) 8.542 1.252 ( 0.907 -6.114 1.535) 6.369 1.522 ( -5.871 -3.519 -3.642) 7.753 1.654 ( -4.604 -7.355 -10.251) 13.431 1.725 ( 4.297 0.594 -2.369) 4.943 1.801 ( -4.534 3.844 2.434) 6.423 1.904 ( -4.273 -2.363 1.779) 5.197 1.982 ( -0.174 -6.236 2.859) 6.862 2.054 ( -3.876 -0.183 2.739) 4.750 2.124 ( -5.827 -5.475 -0.185) 7.998 2.216 ( 4.322 -1.152 0.470) 4.498 2.268 ( 0.813 -1.869 -1.076) 2.305 2.285 ( 1.224 5.844 -2.706) 6.555 2.319 ( 3.143 0.406 -6.197) 6.960 2.471 ( 1.084 -0.258 0.373) 1.175 2.544 ( 3.442 1.285 3.060) 4.782 2.634 ( 2.168 4.058 -5.639) 7.278 2.738 ( 1.073 2.629 0.003) 2.839 2.906 ( 3.475 1.544 0.945) 3.918 2.982 ( -2.093 0.463 -0.873) 2.314 3.109 ( 0.416 -1.463 3.258) 3.595 3.175 ( 2.547 -0.952 -2.478) 3.679 3.198 ( -3.903 -1.102 1.859) 4.461 3.287 ( 1.194 -2.743 -2.567) 3.942 3.366 ( -1.632 -0.134 1.105) 1.975 3.425 ( -1.879 -0.827 -0.815) 2.209 3.468 ( -1.341 -0.210 -1.138) 1.771 3.550 ( -1.666 1.661 2.525) 3.451 3.563 ( 1.116 -3.758 0.332) 3.934 3.649 ( -5.069 0.397 1.041) 5.190 3.682 ( -5.177 -0.382 5.574) 7.617 3.764 ( 2.760 1.957 -0.653) 3.446 3.954 ( -2.014 -1.915 -0.593) 2.841 3.997 ( -2.493 -0.862 -1.260) 2.923 4.116 ( -1.839 -1.972 2.191) 3.474 4.240 ( -3.056 -0.891 0.385) 3.207 4.378 ( 0.911 -1.979 1.262) 2.518 4.598 ( -1.464 -3.820 -0.395) 4.110 9.083 ( 4.306 0.186 0.373) 4.326 9.186 ( 1.405 -1.862 0.410) 2.368 10.390 ( 60.744 23.807 2.455) 65.289 11.619 ( -0.686 7.898 -5.390) 9.587 12.415 ( -1.255 -0.190 0.647) 1.424 12.500 ( -2.447 -0.360 -0.588) 2.542 12.681 ( 3.086 1.270 0.103) 3.339 12.749 ( 0.253 -0.358 -0.074) 0.444 13.789 ( 31.078 13.597 1.889) 33.975 14.977 ( 10.319 10.147 -8.148) 16.608 15.133 ( 1.192 -1.308 0.054) 1.770 15.363 ( 3.336 8.954 -4.742) 10.667 17.055 ( 0.101 -0.716 -0.226) 0.758 17.104 ( -0.696 -0.273 -0.676) 1.008 17.162 ( -3.490 -0.311 0.927) 3.624 17.236 ( 1.284 0.045 0.095) 1.288 17.290 ( 0.637 -0.362 0.138) 0.745 17.351 ( -2.228 0.523 -0.071) 2.290 17.544 ( -0.293 0.530 -0.837) 1.033 17.683 ( -3.015 -1.154 0.246) 3.238 20.065 ( 13.723 4.075 0.520) 14.325 20.311 ( -1.970 1.575 0.434) 2.559 20.511 ( 5.560 2.314 0.431) 6.038 20.979 ( 9.338 21.270 -14.650) 27.463 27.146 ( 1.313 -0.826 -0.352) 1.591 27.244 ( -1.020 -1.047 0.157) 1.470 27.432 ( 0.370 -0.268 0.413) 0.616 27.475 ( -0.147 -1.091 -1.094) 1.552 30.395 ( 0.060 1.081 0.087) 1.086 30.620 ( -1.060 2.324 -1.408) 2.917 33.112 ( -1.626 0.340 4.264) 4.576 33.389 ( 0.104 4.455 1.478) 4.695 33.615 ( 0.584 -1.131 3.334) 3.568 33.985 ( -0.822 -0.595 0.179) 1.031 34.124 ( 2.264 0.610 -6.003) 6.445 34.316 ( 1.520 -5.618 1.646) 6.048 34.627 ( -2.894 -7.917 2.211) 8.715 34.818 ( -6.411 -9.727 -1.581) 11.757 35.457 ( -2.370 0.502 4.879) 5.447 35.887 ( -3.138 -0.318 -1.845) 3.654 39.154 ( -2.465 -17.573 15.560) 23.601 40.522 ( -6.714 -25.781 -16.956) 31.579 45.371 ( 0.324 0.202 0.313) 0.494 45.428 ( 0.745 1.149 -0.980) 1.684 ======================= Grid point 108 (46/115) ======================= q-point: ( 0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 9.392 4.408 -0.571) 10.391 1.178 ( 3.913 -5.749 4.153) 8.100 1.261 ( 14.130 -8.696 -6.710) 17.897 1.329 ( -4.870 -3.849 5.352) 8.196 1.575 ( -1.535 -1.689 0.185) 2.290 1.647 ( -1.086 6.302 -2.969) 7.050 1.734 ( -3.059 -7.435 -0.974) 8.098 1.795 ( 3.911 -2.975 0.244) 4.920 1.956 ( -5.347 -4.662 1.167) 7.189 1.998 ( -1.371 0.528 -1.587) 2.162 2.057 ( 4.889 -0.052 -5.787) 7.576 2.126 ( -1.894 2.328 1.026) 3.172 2.191 ( 2.106 5.309 -4.631) 7.353 2.213 ( -3.558 1.868 -2.434) 4.698 2.305 ( 0.799 -0.819 0.642) 1.312 2.354 ( -5.835 -5.958 -1.954) 8.565 2.449 ( 3.768 1.167 -0.807) 4.026 2.568 ( 1.118 0.931 -0.261) 1.478 2.645 ( 2.481 3.172 0.361) 4.043 2.718 ( 3.186 -5.305 2.785) 6.786 2.893 ( 3.375 2.661 0.360) 4.312 2.967 ( -3.455 -1.029 -1.115) 3.773 3.160 ( -0.014 -2.492 3.051) 3.939 3.200 ( -2.861 -1.206 -0.738) 3.191 3.201 ( 1.901 0.108 -1.978) 2.745 3.300 ( -1.532 1.794 0.377) 2.389 3.352 ( 0.597 -0.979 -0.113) 1.152 3.418 ( -2.962 0.611 -1.734) 3.486 3.455 ( -3.483 -0.915 1.602) 3.942 3.483 ( -0.500 3.341 -2.487) 4.195 3.587 ( -5.056 0.602 3.425) 6.136 3.612 ( 1.846 1.378 -0.320) 2.325 3.702 ( -0.998 -2.583 3.751) 4.663 3.757 ( -0.037 0.063 1.223) 1.225 3.968 ( 1.202 -1.139 -1.718) 2.386 4.034 ( -1.222 -3.290 -0.402) 3.533 4.146 ( -0.758 -1.762 1.711) 2.571 4.231 ( -2.913 -0.563 1.077) 3.157 4.437 ( 3.220 -2.186 0.732) 3.960 4.636 ( -2.969 -2.180 0.078) 3.684 9.111 ( 4.280 0.420 0.329) 4.313 9.211 ( -1.316 -0.702 0.343) 1.531 10.411 ( 56.984 21.263 -0.682) 60.826 11.395 ( -13.604 8.792 -1.830) 16.301 12.417 ( 0.020 -0.379 0.413) 0.561 12.487 ( -2.418 -0.369 -0.407) 2.480 12.681 ( 3.235 1.265 0.040) 3.474 12.750 ( -1.029 -0.101 -0.047) 1.035 13.776 ( 27.336 11.234 0.340) 29.556 14.669 ( -13.055 20.004 -5.436) 24.498 15.157 ( -0.155 -0.657 0.577) 0.888 15.237 ( -3.275 1.841 0.277) 3.767 17.069 ( -0.072 -0.538 0.453) 0.707 17.106 ( -1.916 -2.023 -0.285) 2.801 17.170 ( -0.941 -1.561 0.373) 1.861 17.244 ( 1.151 0.236 -0.045) 1.176 17.300 ( 0.379 -0.202 -0.072) 0.435 17.320 ( -1.732 0.867 -0.275) 1.956 17.559 ( 3.355 -0.801 -0.187) 3.455 17.686 ( -3.062 -1.381 0.301) 3.373 20.057 ( 12.033 7.574 1.008) 14.254 20.267 ( -2.966 1.287 0.022) 3.234 20.460 ( 4.016 7.589 -0.096) 8.586 20.622 ( -5.999 11.456 -3.567) 13.415 27.176 ( 2.326 -0.694 -0.125) 2.431 27.247 ( -1.214 -0.174 0.106) 1.231 27.438 ( -0.147 -0.327 0.650) 0.743 27.490 ( 0.252 -0.592 -0.767) 1.001 30.375 ( 1.817 1.483 0.183) 2.353 30.563 ( -2.148 2.046 -1.192) 3.197 33.110 ( -1.152 -0.628 3.282) 3.535 33.311 ( 0.163 4.233 0.819) 4.314 33.642 ( -0.065 -1.559 1.320) 2.044 33.928 ( 1.757 6.487 -4.215) 7.933 34.136 ( 0.892 -1.862 -1.332) 2.457 34.423 ( -2.227 -4.726 1.923) 5.567 34.759 ( 3.445 -5.013 0.856) 6.142 34.956 ( -5.000 -9.666 -1.909) 11.049 35.448 ( -1.452 -0.265 5.131) 5.339 35.877 ( -1.726 -0.815 -2.073) 2.818 39.461 ( -3.239 -13.451 15.883) 21.064 40.878 ( -0.504 -18.231 -17.994) 25.621 45.368 ( 0.125 0.265 0.339) 0.448 45.412 ( 0.372 0.897 -0.616) 1.150 ======================= Grid point 109 (47/115) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 10.278 7.044 -1.895) 12.603 1.234 ( -7.182 3.918 -3.215) 8.790 1.331 ( -1.641 -2.089 3.175) 4.139 1.411 ( 0.637 -2.733 3.657) 4.609 1.517 ( 1.312 3.420 -1.835) 4.097 1.675 ( 5.054 -5.518 -3.770) 8.379 1.826 ( -0.245 -2.502 1.131) 2.756 1.879 ( -0.565 -0.697 -2.005) 2.197 1.916 ( 0.952 7.084 -3.417) 7.923 2.007 ( 3.613 -2.678 -0.425) 4.517 2.068 ( -3.309 2.526 -1.543) 4.440 2.086 ( -0.050 1.657 -5.240) 5.496 2.127 ( -0.576 -1.515 -0.399) 1.669 2.209 ( 4.980 -5.621 -3.250) 8.183 2.313 ( -1.659 -0.241 0.059) 1.678 2.402 ( 0.383 -3.341 1.233) 3.582 2.471 ( 1.774 1.244 0.140) 2.171 2.571 ( 0.814 -0.280 0.837) 1.200 2.627 ( -2.538 -0.744 0.645) 2.722 2.798 ( -0.478 1.839 3.530) 4.009 2.863 ( -0.690 -1.447 -2.830) 3.252 2.961 ( 0.834 1.452 -0.155) 1.682 3.131 ( -3.864 1.330 0.310) 4.098 3.177 ( -1.299 1.362 -0.903) 2.087 3.252 ( 3.137 -3.134 0.920) 4.528 3.311 ( -0.269 -0.526 -2.390) 2.462 3.333 ( 1.016 1.572 -2.395) 3.040 3.384 ( -1.692 -1.804 -0.656) 2.559 3.454 ( -3.442 -0.676 0.296) 3.520 3.472 ( 1.924 -0.924 -2.330) 3.159 3.556 ( -2.239 0.348 2.491) 3.368 3.576 ( 0.372 2.577 0.809) 2.726 3.733 ( 0.711 0.662 4.225) 4.335 3.762 ( -2.810 -1.351 2.994) 4.323 4.003 ( 2.599 -1.069 -1.154) 3.038 4.070 ( -1.449 -1.190 -0.783) 2.033 4.175 ( 1.447 -0.843 1.738) 2.414 4.227 ( -3.013 -1.254 1.476) 3.582 4.501 ( 4.036 -1.353 0.978) 4.367 4.640 ( -3.661 -0.953 0.239) 3.791 9.124 ( 3.455 1.474 0.366) 3.774 9.196 ( -2.877 0.440 -0.307) 2.926 10.368 ( 41.371 23.719 3.197) 47.795 11.152 ( -19.778 1.352 -4.112) 20.246 12.432 ( 1.088 -0.739 0.247) 1.339 12.478 ( -2.172 -0.588 -0.315) 2.272 12.680 ( 2.506 1.229 0.372) 2.816 12.740 ( -1.417 0.103 -0.290) 1.450 13.759 ( 25.197 11.445 -0.473) 27.678 14.164 ( -29.187 13.298 -2.180) 32.148 15.159 ( -0.875 0.104 0.983) 1.320 15.215 ( -0.420 0.200 -0.413) 0.622 17.077 ( -0.357 -0.315 0.774) 0.908 17.145 ( -0.055 -2.323 -0.854) 2.476 17.193 ( -0.700 -1.424 0.224) 1.602 17.243 ( 0.346 0.390 -0.672) 0.851 17.285 ( -0.942 0.801 0.551) 1.354 17.318 ( 0.320 -0.690 -0.107) 0.768 17.611 ( 4.883 -1.234 0.121) 5.038 17.686 ( -3.498 -0.995 0.348) 3.653 19.952 ( 4.430 9.632 3.177) 11.067 20.222 ( -2.633 0.492 -2.051) 3.373 20.340 ( -1.078 3.222 0.861) 3.505 20.505 ( -0.818 1.333 -2.304) 2.784 27.198 ( 2.182 0.139 0.010) 2.187 27.233 ( -1.723 0.510 0.091) 1.799 27.445 ( -0.140 -0.308 0.661) 0.743 27.497 ( 0.236 -0.146 -0.569) 0.633 30.372 ( 1.962 0.463 0.859) 2.191 30.521 ( -1.803 0.316 -1.413) 2.312 33.132 ( -0.583 -1.932 2.572) 3.268 33.239 ( -0.223 3.394 0.780) 3.490 33.690 ( -0.081 -3.719 -0.786) 3.802 33.796 ( 1.267 7.201 -3.579) 8.141 34.181 ( 1.897 -1.376 0.850) 2.493 34.452 ( -4.883 -1.259 -1.202) 5.184 34.833 ( 3.330 0.442 2.832) 4.393 35.096 ( -0.210 -7.258 -3.914) 8.249 35.468 ( -0.745 -1.780 6.817) 7.084 35.884 ( -0.973 -1.332 -2.387) 2.902 39.634 ( -3.628 -4.543 15.711) 16.752 41.137 ( 3.963 -11.503 -18.884) 22.464 45.364 ( -0.034 0.246 0.320) 0.405 45.398 ( 0.111 0.655 -0.439) 0.797 ======================= Grid point 110 (48/115) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 10.411 12.184 -3.389) 16.381 1.036 ( -14.338 5.474 1.831) 15.457 1.330 ( -0.916 3.044 2.854) 4.272 1.384 ( -0.422 4.354 -0.698) 4.430 1.521 ( 0.308 1.581 -5.611) 5.838 1.701 ( 0.814 6.818 0.295) 6.873 1.781 ( 3.179 -2.346 -4.599) 6.063 1.845 ( -0.251 0.708 -3.144) 3.233 1.919 ( 4.858 -1.548 -4.947) 7.104 2.013 ( -2.093 0.429 2.878) 3.584 2.064 ( -1.478 -0.438 -4.328) 4.594 2.120 ( 2.482 -6.418 0.178) 6.883 2.190 ( 0.999 -3.948 0.556) 4.110 2.335 ( 0.585 -2.372 -2.417) 3.436 2.342 ( 4.838 -1.448 -1.853) 5.380 2.386 ( -2.859 5.751 0.712) 6.462 2.419 ( 1.124 5.081 0.381) 5.218 2.565 ( -3.119 -0.356 4.384) 5.392 2.644 ( -1.439 -2.144 0.711) 2.679 2.732 ( -4.521 -0.931 -0.297) 4.625 2.914 ( 4.424 3.059 0.347) 5.390 2.941 ( -0.134 -3.379 0.571) 3.430 3.116 ( 2.330 1.373 -2.656) 3.791 3.145 ( -2.330 -0.563 -1.848) 3.027 3.258 ( 0.883 2.207 -2.334) 3.331 3.336 ( 2.021 -3.107 1.955) 4.190 3.373 ( -1.266 -1.327 -0.615) 1.935 3.406 ( 0.366 -1.534 -2.796) 3.210 3.434 ( -2.001 0.267 -0.795) 2.169 3.505 ( 2.630 -1.519 0.124) 3.040 3.543 ( -0.625 -0.064 2.292) 2.376 3.563 ( -0.997 -0.975 1.674) 2.179 3.709 ( 1.368 2.705 3.007) 4.269 3.767 ( -3.155 -0.655 3.092) 4.466 4.031 ( 1.280 -0.196 -0.548) 1.406 4.053 ( -1.111 1.387 -0.973) 2.026 4.197 ( 1.739 0.432 2.228) 2.859 4.245 ( -1.589 -2.286 1.298) 3.072 4.536 ( 1.020 0.191 1.328) 1.685 4.626 ( -1.080 0.289 -0.436) 1.200 9.102 ( 0.032 2.169 0.570) 2.243 9.163 ( -0.019 1.765 -0.867) 1.966 10.110 ( -0.896 20.522 10.936) 23.271 11.087 ( 0.030 -2.875 -11.321) 11.681 12.457 ( 0.148 -1.158 0.185) 1.182 12.481 ( -0.065 -0.929 -0.415) 1.019 12.667 ( -0.160 1.268 0.884) 1.554 12.729 ( 0.151 0.433 -0.644) 0.791 13.647 ( -0.849 12.018 1.297) 12.117 13.873 ( 1.642 3.619 -4.295) 5.852 15.146 ( -0.869 0.751 0.864) 1.437 15.204 ( 0.572 0.987 -0.311) 1.182 17.075 ( -0.452 0.412 0.555) 0.826 17.165 ( 0.547 0.361 -2.142) 2.240 17.213 ( -0.910 -1.292 0.007) 1.580 17.242 ( 0.744 -0.235 -0.800) 1.117 17.277 ( -0.707 -0.441 1.848) 2.027 17.337 ( -0.094 -1.162 0.012) 1.166 17.661 ( 1.655 -0.163 0.483) 1.732 17.680 ( -1.273 -1.527 0.106) 1.991 19.825 ( -1.304 5.008 4.460) 6.832 20.231 ( 1.973 -2.405 -4.007) 5.073 20.316 ( -0.601 -0.215 1.441) 1.576 20.499 ( -0.583 -1.515 -3.819) 4.150 27.206 ( 1.038 0.736 0.088) 1.275 27.207 ( -1.121 0.353 0.051) 1.176 27.448 ( -0.085 0.102 0.566) 0.581 27.498 ( 0.067 0.007 -0.635) 0.639 30.385 ( -0.046 -0.794 1.536) 1.729 30.526 ( 0.262 -1.697 -1.709) 2.423 33.180 ( -0.972 -1.862 1.945) 2.862 33.189 ( 0.163 0.665 1.668) 1.803 33.679 ( 1.025 5.326 -1.385) 5.598 33.783 ( -0.018 -6.269 -2.762) 6.850 34.207 ( 2.707 0.739 1.676) 3.268 34.404 ( -4.816 1.907 -4.092) 6.601 34.810 ( 1.721 4.256 5.828) 7.419 35.187 ( 1.316 -2.774 -6.651) 7.326 35.521 ( -0.999 -2.672 8.399) 8.871 35.904 ( -0.639 -1.961 -2.801) 3.479 39.624 ( -3.649 5.581 16.392) 17.696 41.303 ( 3.912 -6.792 -22.604) 23.924 45.361 ( -0.079 0.144 0.277) 0.322 45.388 ( 0.150 0.469 -0.324) 0.589 ======================= Grid point 111 (49/115) ======================= q-point: (-0.11 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 7.633 12.727 -3.925) 15.351 0.875 ( -9.448 2.130 2.977) 10.133 1.185 ( -6.167 11.119 0.907) 12.747 1.253 ( 3.007 6.076 1.090) 6.867 1.481 ( 5.506 2.033 0.212) 5.874 1.692 ( 2.031 -2.635 -5.533) 6.456 1.795 ( -2.740 -0.833 -2.393) 3.732 1.863 ( 3.512 1.203 -2.175) 4.302 1.933 ( 2.426 4.023 -4.181) 6.289 2.028 ( -0.268 -0.559 -5.190) 5.226 2.052 ( -0.393 -3.239 3.187) 4.561 2.209 ( 0.313 6.912 -0.115) 6.920 2.229 ( -2.352 -0.069 -0.455) 2.397 2.269 ( 0.222 -1.557 2.991) 3.380 2.299 ( 2.076 3.242 1.355) 4.082 2.366 ( -0.305 -3.587 -2.425) 4.340 2.416 ( -2.905 -1.814 -0.387) 3.447 2.541 ( -3.295 0.477 0.647) 3.392 2.662 ( 1.400 -0.152 1.112) 1.794 2.757 ( -0.272 -2.159 -2.780) 3.530 2.901 ( -1.350 2.356 -3.035) 4.072 2.955 ( 0.963 -0.473 -0.916) 1.411 3.108 ( 2.423 1.326 -0.305) 2.778 3.141 ( -1.036 0.043 0.420) 1.119 3.254 ( 2.203 -0.515 -2.444) 3.331 3.351 ( -3.040 1.362 2.383) 4.096 3.374 ( -0.301 0.759 2.929) 3.041 3.415 ( 1.262 -0.186 -2.637) 2.929 3.448 ( 2.284 -1.878 -0.427) 2.988 3.538 ( -1.600 0.095 1.487) 2.186 3.574 ( -0.598 -0.462 1.300) 1.504 3.618 ( 2.880 -5.150 1.060) 5.995 3.692 ( 3.741 0.488 1.118) 3.935 3.758 ( -1.983 -1.346 4.054) 4.709 3.995 ( -2.334 1.773 -1.267) 3.193 4.044 ( 1.918 1.028 -0.155) 2.182 4.193 ( 0.270 1.073 3.366) 3.543 4.287 ( 0.174 -2.548 -0.091) 2.556 4.510 ( -3.367 1.348 0.314) 3.640 4.616 ( 2.533 1.531 -0.580) 3.016 9.055 ( -2.318 2.026 0.382) 3.102 9.122 ( 1.808 3.498 -0.560) 3.978 9.646 ( -32.390 17.140 11.090) 38.287 11.181 ( 20.347 -0.633 -15.776) 25.754 12.470 ( -2.341 -1.215 0.038) 2.638 12.517 ( 3.286 -1.423 -0.339) 3.597 12.635 ( -2.449 1.164 0.852) 2.842 12.721 ( 1.545 1.064 -0.596) 1.968 13.429 ( -7.993 6.085 1.117) 10.108 13.928 ( 28.242 2.893 -7.481) 29.359 15.122 ( -0.478 1.320 0.643) 1.544 15.187 ( 1.904 1.616 0.150) 2.502 17.061 ( -0.403 0.606 0.080) 0.732 17.143 ( 0.285 1.463 -2.675) 3.062 17.226 ( -1.016 -0.799 0.158) 1.302 17.252 ( 1.066 -0.071 -0.389) 1.137 17.289 ( -1.050 -0.716 1.738) 2.154 17.358 ( -0.529 -1.164 0.142) 1.287 17.651 ( -3.818 -0.807 0.569) 3.944 17.718 ( 1.955 -1.062 -0.001) 2.225 19.762 ( -0.861 1.992 4.440) 4.942 20.313 ( 3.667 -4.025 -4.891) 7.319 20.329 ( 0.469 -1.073 1.099) 1.606 20.537 ( 2.178 -3.090 -7.639) 8.523 27.180 ( -2.324 0.288 0.040) 2.342 27.218 ( 2.163 0.011 0.087) 2.165 27.441 ( -0.138 0.625 0.511) 0.819 27.497 ( -0.016 0.025 -1.125) 1.125 30.404 ( -1.602 -1.622 1.715) 2.853 30.573 ( 1.386 -2.677 -1.680) 3.451 33.154 ( -1.402 0.823 2.106) 2.661 33.260 ( 0.547 -4.315 2.430) 4.982 33.607 ( 0.481 2.942 1.122) 3.186 33.908 ( 0.735 -6.842 -3.852) 7.886 34.200 ( 2.963 2.358 1.669) 4.138 34.303 ( -3.755 4.593 -5.568) 8.136 34.737 ( 1.337 5.570 8.336) 10.114 35.195 ( -0.208 1.119 -8.971) 9.043 35.562 ( -3.948 -1.841 8.521) 9.570 35.941 ( -0.642 -2.913 -2.821) 4.105 39.440 ( -3.889 13.738 17.737) 22.770 41.341 ( -2.251 0.350 -30.528) 30.613 45.359 ( -0.015 0.007 0.212) 0.212 45.384 ( 0.709 0.164 -0.234) 0.765 ======================= Grid point 115 (50/115) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 2.691 0.000 7.956) 8.399 0.974 ( 2.221 0.000 -7.660) 7.976 1.070 ( 3.204 0.000 9.611) 10.131 1.096 ( 4.269 0.000 -11.337) 12.115 1.313 ( 3.729 0.000 -9.016) 9.757 1.661 ( -9.711 -0.000 0.459) 9.722 1.670 ( -6.782 -0.000 -7.649) 10.223 1.748 ( 0.086 0.000 -4.272) 4.273 1.786 ( 3.277 0.000 13.318) 13.715 1.906 ( -7.873 -0.000 2.688) 8.319 2.011 ( 8.340 0.000 4.044) 9.269 2.059 ( 0.985 0.000 5.498) 5.586 2.121 ( -1.058 -0.000 -0.284) 1.095 2.286 ( 2.705 0.000 -6.164) 6.731 2.323 ( -3.193 -0.000 -0.033) 3.193 2.423 ( 0.511 0.000 -3.626) 3.662 2.466 ( -2.603 -0.000 -1.292) 2.906 2.638 ( 2.946 0.000 -1.987) 3.554 2.723 ( 0.908 0.000 -0.326) 0.965 2.810 ( 6.972 0.000 -2.701) 7.477 2.916 ( 4.106 0.000 0.986) 4.223 2.982 ( 0.484 0.000 -4.845) 4.869 3.141 ( 2.885 0.000 1.540) 3.270 3.155 ( 2.479 0.000 -3.056) 3.935 3.203 ( -6.526 -0.000 0.353) 6.536 3.219 ( -1.546 -0.000 0.812) 1.747 3.314 ( -0.734 -0.000 1.655) 1.810 3.407 ( -2.765 -0.000 3.236) 4.256 3.422 ( -3.180 -0.000 1.445) 3.492 3.453 ( 2.832 0.000 -3.714) 4.670 3.554 ( -4.246 -0.000 4.701) 6.335 3.591 ( -7.373 -0.000 5.653) 9.291 3.749 ( -2.629 -0.000 -0.407) 2.660 3.865 ( 2.266 0.000 -3.649) 4.295 3.901 ( -0.390 -0.000 0.500) 0.635 3.913 ( -0.447 -0.000 0.405) 0.604 4.083 ( 1.091 0.000 3.020) 3.211 4.283 ( 0.353 0.000 1.049) 1.106 4.369 ( -4.268 -0.000 1.235) 4.443 4.398 ( -1.052 -0.000 -0.618) 1.220 9.105 ( 3.605 0.000 -0.305) 3.618 9.115 ( 3.281 0.000 -0.051) 3.282 10.999 ( 20.773 0.000 21.533) 29.919 11.801 ( 13.693 0.000 -16.500) 21.442 12.408 ( -2.045 -0.000 0.923) 2.244 12.490 ( -1.832 -0.000 -0.816) 2.006 12.707 ( 1.555 0.000 0.594) 1.665 12.741 ( 1.857 0.000 -0.526) 1.930 14.313 ( 31.990 0.000 17.222) 36.331 15.095 ( 2.436 0.000 -1.246) 2.736 15.150 ( 0.870 0.000 0.441) 0.976 15.639 ( 46.320 0.000 -42.346) 62.759 17.050 ( 1.322 0.000 -1.582) 2.061 17.111 ( 0.419 0.000 0.757) 0.865 17.169 ( -1.728 -0.000 1.241) 2.128 17.236 ( 1.208 0.000 -0.664) 1.379 17.278 ( 0.516 0.000 0.684) 0.856 17.353 ( -2.591 -0.000 -0.228) 2.601 17.552 ( -4.307 -0.000 -0.820) 4.385 17.681 ( -2.681 -0.000 -0.901) 2.828 20.191 ( 10.166 0.000 13.676) 17.041 20.352 ( -2.274 -0.000 0.181) 2.282 20.396 ( 3.692 0.000 -7.279) 8.162 21.600 ( 60.229 0.000 -51.915) 79.516 27.132 ( -1.659 -0.000 0.146) 1.666 27.197 ( -1.403 -0.000 0.154) 1.412 27.430 ( 0.128 0.000 -0.107) 0.167 27.434 ( 1.610 0.000 -1.038) 1.916 30.377 ( -2.876 -0.000 2.398) 3.744 30.676 ( 0.569 0.000 -2.766) 2.824 33.133 ( -1.716 -0.000 6.462) 6.686 33.494 ( 1.515 0.000 -2.850) 3.228 33.583 ( -4.805 -0.000 11.765) 12.708 33.946 ( -4.387 -0.000 3.376) 5.535 34.025 ( 2.748 0.000 -1.260) 3.023 34.144 ( 1.307 0.000 -0.001) 1.307 34.392 ( -2.220 -0.000 4.677) 5.177 34.677 ( -1.834 -0.000 -0.334) 1.864 35.473 ( -2.695 -0.000 5.019) 5.696 35.872 ( -4.459 -0.000 -1.617) 4.743 38.728 ( -1.098 -0.000 12.537) 12.585 39.782 ( -1.519 -0.000 -3.861) 4.149 45.375 ( 0.443 0.000 0.314) 0.543 45.460 ( 0.782 0.000 -1.834) 1.993 ======================= Grid point 116 (51/115) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 9.681 -2.497 -4.668) 11.034 1.038 ( -0.020 -0.852 -3.509) 3.611 1.129 ( 5.384 -3.858 1.663) 6.829 1.242 ( 5.603 -3.147 6.220) 8.944 1.333 ( 1.478 -4.032 -8.219) 9.273 1.525 ( -7.614 0.127 -7.421) 10.633 1.694 ( -8.724 -7.480 -6.602) 13.253 1.740 ( -0.761 -0.529 -2.602) 2.762 1.819 ( -2.965 -0.316 4.170) 5.126 1.943 ( -3.696 -2.456 7.538) 8.747 2.013 ( -0.677 0.875 1.881) 2.182 2.065 ( 0.766 0.861 8.549) 8.627 2.211 ( 6.980 -4.050 3.476) 8.787 2.275 ( -1.202 1.151 -1.745) 2.412 2.321 ( 3.079 -2.439 -5.508) 6.765 2.387 ( -0.053 3.858 -3.277) 5.062 2.437 ( -2.277 -0.467 -2.353) 3.308 2.625 ( 3.437 2.806 0.337) 4.450 2.739 ( 3.680 0.327 -1.020) 3.833 2.800 ( 2.496 5.168 -1.524) 5.938 2.933 ( 1.979 0.013 -0.625) 2.075 2.994 ( 1.185 0.479 -1.126) 1.703 3.109 ( -1.003 0.926 1.543) 2.060 3.170 ( -3.270 1.041 2.946) 4.522 3.177 ( 1.079 0.137 -2.149) 2.409 3.233 ( 1.484 -3.475 -2.193) 4.369 3.340 ( -0.543 -1.444 0.345) 1.581 3.392 ( -3.841 -0.204 1.656) 4.187 3.423 ( -2.168 -2.469 0.523) 3.327 3.496 ( 1.173 -3.137 -2.028) 3.915 3.538 ( -2.044 -1.198 3.542) 4.262 3.594 ( -5.746 -2.121 4.249) 7.455 3.697 ( -1.969 2.944 0.178) 3.546 3.838 ( 3.119 3.220 -0.991) 4.591 3.892 ( -0.854 -2.065 -0.790) 2.371 3.955 ( -3.499 -1.422 0.102) 3.778 4.109 ( 2.384 -0.355 0.668) 2.501 4.218 ( -2.201 2.263 0.157) 3.161 4.353 ( -0.635 -1.259 2.634) 2.988 4.495 ( -0.848 -6.318 -0.878) 6.435 9.116 ( 3.417 0.379 -0.010) 3.438 9.161 ( 1.339 -1.714 -0.050) 2.176 11.044 ( 19.278 9.710 13.548) 25.485 11.784 ( 6.784 7.748 -9.798) 14.214 12.400 ( -1.421 -0.357 0.907) 1.723 12.480 ( -1.324 -0.219 -0.848) 1.588 12.714 ( 1.480 0.337 0.369) 1.562 12.750 ( 0.767 0.170 -0.365) 0.866 14.368 ( 28.951 16.598 12.481) 35.629 15.119 ( 1.119 -1.022 -0.343) 1.554 15.133 ( 2.992 2.217 -1.157) 3.899 15.692 ( 21.600 17.074 -22.575) 35.605 17.054 ( 1.350 0.578 -1.146) 1.863 17.107 ( 0.419 0.397 0.395) 0.699 17.149 ( -2.503 1.088 0.440) 2.764 17.248 ( 1.781 -0.027 -0.211) 1.793 17.287 ( 0.288 -0.377 0.475) 0.671 17.332 ( -3.181 -0.235 -0.971) 3.334 17.538 ( -0.950 -0.872 -0.661) 1.449 17.651 ( -2.737 0.388 -0.262) 2.777 20.220 ( 8.663 3.368 4.769) 10.447 20.322 ( -2.579 1.197 0.193) 2.850 20.511 ( 2.737 -6.246 1.793) 7.051 21.614 ( 37.681 30.290 -33.756) 58.964 27.135 ( 0.539 -1.129 -0.186) 1.265 27.205 ( -1.620 -1.625 0.202) 2.304 27.438 ( 1.430 0.117 -0.138) 1.441 27.447 ( -0.248 -1.173 -0.805) 1.444 30.386 ( -1.115 -1.650 1.211) 2.331 30.655 ( 0.059 2.018 -2.574) 3.271 33.121 ( -1.571 0.882 6.270) 6.524 33.464 ( -0.695 3.402 0.991) 3.611 33.598 ( -0.046 -1.970 6.474) 6.767 33.938 ( -1.650 -2.113 2.313) 3.541 34.124 ( 1.984 -2.995 -3.529) 5.036 34.187 ( -1.627 -6.543 -0.478) 6.759 34.462 ( -0.244 -7.365 2.483) 7.776 34.668 ( -3.639 -1.864 0.371) 4.106 35.460 ( -1.666 0.451 4.369) 4.697 35.847 ( -3.402 -0.729 -2.442) 4.251 38.870 ( -0.810 -12.523 13.779) 18.637 39.986 ( -2.861 -21.774 -8.614) 23.590 45.377 ( 0.310 0.148 0.398) 0.526 45.452 ( 0.656 0.944 -1.395) 1.808 ======================= Grid point 117 (52/115) ======================= q-point: ( 0.56 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 4.976 -1.464 -4.770) 7.047 1.089 ( 1.925 -9.969 -1.242) 10.229 1.221 ( 7.763 -4.550 -0.988) 9.052 1.263 ( 3.637 2.677 9.989) 10.962 1.480 ( 2.411 -8.488 -2.477) 9.165 1.555 ( -3.398 -6.337 -10.098) 12.396 1.726 ( -5.145 1.665 1.634) 5.649 1.769 ( -4.307 -3.922 -2.403) 6.301 1.798 ( -3.895 -3.459 0.913) 5.289 1.968 ( -2.251 -5.776 -0.455) 6.216 2.015 ( -2.486 -0.034 2.075) 3.238 2.083 ( -0.722 -1.366 2.608) 3.031 2.249 ( 0.628 0.510 -1.325) 1.552 2.266 ( -0.477 0.309 -1.748) 1.838 2.291 ( 1.484 6.216 -4.043) 7.562 2.343 ( 2.483 1.018 -5.201) 5.852 2.509 ( 3.161 -0.962 1.850) 3.786 2.619 ( 3.533 -0.421 6.186) 7.136 2.671 ( 4.109 4.995 -2.712) 7.013 2.761 ( 2.849 2.500 -0.160) 3.794 2.926 ( -5.167 1.855 -0.321) 5.499 2.963 ( 3.811 0.811 0.629) 3.947 3.131 ( 1.060 -1.636 0.976) 2.180 3.150 ( -2.755 -1.627 1.310) 3.457 3.209 ( 3.060 -1.079 -2.029) 3.827 3.295 ( 0.639 -1.760 -1.524) 2.414 3.316 ( -5.032 -0.188 -0.167) 5.038 3.399 ( -0.993 -0.665 0.341) 1.242 3.441 ( -2.399 0.222 0.630) 2.491 3.516 ( -2.039 0.689 -0.820) 2.303 3.553 ( -4.403 -0.838 3.458) 5.661 3.619 ( 1.512 -3.032 2.398) 4.151 3.647 ( -2.056 -0.025 0.933) 2.258 3.807 ( 3.013 3.358 -1.348) 4.709 3.925 ( -1.139 -2.785 -0.945) 3.153 3.963 ( -1.738 -2.851 -0.120) 3.341 4.121 ( 1.064 -0.319 0.906) 1.433 4.203 ( -2.058 -0.808 0.385) 2.244 4.405 ( 1.584 -3.282 2.531) 4.437 4.575 ( -0.953 -3.054 -0.949) 3.337 9.141 ( 3.208 -0.234 0.259) 3.227 9.186 ( -1.407 -0.909 0.245) 1.693 11.035 ( 21.411 8.261 5.648) 23.634 11.565 ( -1.253 17.135 -5.727) 18.111 12.404 ( -0.700 -0.699 0.772) 1.255 12.473 ( -0.754 0.007 -0.790) 1.092 12.719 ( 1.958 0.513 0.091) 2.026 12.743 ( -0.834 0.419 -0.080) 0.937 14.261 ( 22.812 15.652 6.546) 28.429 15.051 ( 5.730 18.287 -6.427) 20.213 15.141 ( -0.179 -0.876 -0.125) 0.903 15.301 ( -5.971 17.065 -6.521) 19.219 17.054 ( 0.316 -0.592 -0.016) 0.671 17.085 ( -1.268 1.035 0.197) 1.648 17.142 ( 0.086 -1.181 0.549) 1.306 17.256 ( 0.671 0.238 -0.418) 0.825 17.297 ( 0.328 -0.452 0.048) 0.560 17.313 ( -1.962 0.073 -0.798) 2.119 17.566 ( 3.085 -1.167 -0.334) 3.315 17.637 ( -3.276 -1.080 0.306) 3.463 20.230 ( 7.625 2.691 1.015) 8.150 20.269 ( -4.217 1.831 0.158) 4.600 20.593 ( 2.193 0.303 1.480) 2.663 21.056 ( 11.377 37.944 -11.163) 41.155 27.174 ( 2.486 -1.450 -0.211) 2.885 27.222 ( -1.854 -1.325 0.170) 2.285 27.437 ( 0.084 0.241 0.226) 0.341 27.473 ( 0.439 -1.284 -0.584) 1.477 30.405 ( 1.045 0.016 0.317) 1.092 30.597 ( -1.133 3.123 -2.029) 3.893 33.107 ( -1.130 0.441 4.896) 5.044 33.389 ( -0.738 4.029 1.185) 4.264 33.631 ( 0.076 -0.394 3.051) 3.077 33.980 ( -0.098 -1.539 0.534) 1.632 34.149 ( 3.669 1.364 -4.816) 6.206 34.291 ( -4.277 -6.347 -0.754) 7.691 34.653 ( 5.642 -9.635 1.597) 11.279 34.730 ( -6.215 -8.675 1.512) 10.778 35.449 ( -0.925 0.349 4.422) 4.532 35.840 ( -1.921 -1.028 -3.114) 3.800 39.172 ( -2.197 -16.727 15.244) 22.738 40.427 ( 0.924 -26.014 -13.558) 29.350 45.375 ( 0.106 0.280 0.415) 0.512 45.433 ( 0.428 1.188 -0.910) 1.557 ======================= Grid point 118 (53/115) ======================= q-point: (-0.33 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 2.302 1.071 -2.732) 3.730 1.246 ( 0.838 -5.017 0.855) 5.158 1.267 ( -1.389 -1.777 3.655) 4.295 1.363 ( 0.080 1.925 -0.979) 2.161 1.578 ( 4.697 -5.969 -1.271) 7.701 1.629 ( -1.394 3.285 0.267) 3.578 1.703 ( -0.704 -9.495 -1.748) 9.680 1.787 ( -7.332 -2.926 2.201) 8.196 1.935 ( 3.902 -6.354 -2.741) 7.944 1.990 ( 1.201 -1.800 -0.775) 2.299 2.075 ( -4.422 2.154 0.037) 4.919 2.090 ( -0.683 -5.691 -3.981) 6.979 2.168 ( 2.231 6.609 -5.468) 8.864 2.218 ( 2.163 3.098 -3.524) 5.167 2.280 ( -1.788 -2.863 -2.976) 4.500 2.321 ( 0.326 -0.071 2.333) 2.357 2.497 ( 2.404 2.724 1.606) 3.973 2.592 ( 1.720 -0.070 -0.303) 1.748 2.695 ( 4.664 5.685 0.628) 7.380 2.776 ( 1.513 -3.865 4.200) 5.905 2.848 ( -5.960 1.793 -2.964) 6.893 2.990 ( 4.832 0.040 0.360) 4.846 3.149 ( -2.079 2.006 1.740) 3.372 3.164 ( -1.445 -2.083 0.613) 2.608 3.250 ( 4.820 -0.943 -1.835) 5.243 3.276 ( -3.758 -0.645 0.577) 3.856 3.329 ( -0.601 -1.707 -2.094) 2.768 3.388 ( -0.415 1.771 -0.738) 1.963 3.402 ( -4.030 -0.341 0.731) 4.110 3.486 ( 1.815 0.973 -2.377) 3.145 3.540 ( -2.832 -0.419 2.406) 3.739 3.633 ( 0.707 1.834 -0.079) 1.967 3.696 ( -1.486 -3.152 3.267) 4.777 3.770 ( 1.039 1.321 2.109) 2.697 3.981 ( 1.141 -2.751 -1.175) 3.202 4.016 ( -0.839 -3.187 -0.889) 3.413 4.151 ( -0.400 -2.082 2.064) 2.959 4.202 ( -0.693 -0.309 0.624) 0.982 4.488 ( 2.258 -3.007 2.096) 4.305 4.602 ( -0.753 -1.147 -0.598) 1.497 9.158 ( -0.615 0.519 0.572) 0.988 9.185 ( 0.102 -0.364 -0.055) 0.382 11.050 ( -21.700 4.113 -0.873) 22.103 11.102 ( 23.268 26.696 -1.121) 35.430 12.417 ( -0.428 -0.981 0.543) 1.200 12.468 ( 0.299 0.089 -0.588) 0.666 12.716 ( 0.119 1.341 0.216) 1.363 12.731 ( -0.083 -0.163 -0.196) 0.269 14.122 ( -4.136 10.229 2.066) 11.225 14.441 ( 8.183 33.546 -5.360) 34.943 15.149 ( -1.054 -0.482 0.399) 1.226 15.205 ( -0.837 -0.518 -0.613) 1.159 17.071 ( 0.231 -0.149 0.617) 0.676 17.093 ( 0.414 -2.646 0.197) 2.685 17.169 ( 0.371 -1.209 0.458) 1.346 17.248 ( -0.761 0.325 -1.068) 1.351 17.297 ( -0.119 0.730 -0.048) 0.741 17.308 ( -0.074 -0.533 -0.207) 0.576 17.616 ( 2.767 -1.378 0.332) 3.109 17.639 ( -2.297 -1.436 0.133) 2.712 20.156 ( -5.421 7.409 0.694) 9.206 20.240 ( 4.181 1.618 -0.431) 4.504 20.502 ( -5.681 12.263 -1.172) 13.566 20.578 ( 10.715 11.805 -0.136) 15.943 27.209 ( 1.267 -0.465 0.134) 1.356 27.226 ( -0.935 -0.308 -0.035) 0.985 27.438 ( -0.241 -0.304 0.596) 0.711 27.493 ( 0.500 -0.527 -0.573) 0.926 30.400 ( 0.580 1.182 0.719) 1.500 30.533 ( -0.485 2.159 -1.897) 2.914 33.109 ( -0.510 -0.636 3.654) 3.744 33.309 ( -0.707 4.078 0.384) 4.157 33.641 ( -0.630 -1.145 1.064) 1.685 33.937 ( 1.351 6.244 -4.153) 7.619 34.167 ( 3.223 -1.626 1.065) 3.764 34.358 ( -5.151 -4.420 -2.149) 7.119 34.808 ( -1.507 -4.971 1.858) 5.517 34.928 ( 4.498 -10.798 -0.076) 11.697 35.454 ( -0.315 -0.564 5.755) 5.791 35.846 ( -0.968 -1.257 -3.485) 3.829 39.464 ( -3.540 -12.989 15.456) 20.497 40.859 ( 5.923 -18.959 -16.194) 25.627 45.370 ( -0.056 0.328 0.378) 0.503 45.414 ( 0.171 0.978 -0.605) 1.163 ======================= Grid point 119 (54/115) ======================= q-point: (-0.22 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -4.386 2.994 -0.764) 5.365 1.124 ( 2.146 11.128 -3.330) 11.812 1.331 ( -0.562 -0.930 3.338) 3.511 1.410 ( -1.856 -7.597 2.751) 8.290 1.526 ( 1.093 6.522 -2.015) 6.913 1.746 ( 5.151 -3.797 -6.365) 9.026 1.776 ( -5.491 -0.106 1.952) 5.828 1.839 ( -4.034 -6.916 -0.835) 8.049 1.928 ( 1.383 4.504 -4.074) 6.229 1.963 ( -4.738 2.518 -0.081) 5.366 2.050 ( -0.045 -0.094 -2.751) 2.753 2.115 ( 3.229 1.141 -2.572) 4.283 2.165 ( 7.351 -1.036 -3.101) 8.045 2.245 ( -0.638 -5.482 -1.140) 5.636 2.319 ( 2.586 -1.345 -0.360) 2.937 2.372 ( -4.185 -4.758 1.258) 6.460 2.505 ( 0.122 -1.631 1.440) 2.179 2.590 ( -0.352 2.815 3.632) 4.608 2.629 ( 5.903 4.281 -1.973) 7.554 2.735 ( -6.833 3.442 -0.533) 7.670 2.857 ( 0.553 -4.335 0.866) 4.455 3.018 ( 4.813 2.625 0.888) 5.553 3.092 ( -1.543 -0.219 -1.417) 2.106 3.178 ( 1.834 1.219 -0.515) 2.262 3.272 ( -1.535 -1.220 -0.941) 2.175 3.314 ( 2.254 -1.682 0.263) 2.825 3.341 ( 0.783 0.830 -2.864) 3.083 3.367 ( 0.469 -1.873 -2.133) 2.877 3.402 ( -2.686 -1.641 -0.426) 3.176 3.503 ( 2.545 -0.907 -1.076) 2.909 3.537 ( -1.512 -0.703 2.079) 2.665 3.585 ( 0.440 3.097 0.998) 3.284 3.729 ( -2.707 -1.697 3.792) 4.959 3.764 ( 1.305 1.411 3.479) 3.975 4.021 ( -1.078 -0.961 -0.418) 1.504 4.052 ( 0.688 -1.146 -1.293) 1.860 4.188 ( -2.338 -2.407 1.957) 3.885 4.216 ( 2.425 -0.434 1.204) 2.742 4.531 ( -1.654 -0.664 1.734) 2.486 4.627 ( 3.020 -0.938 -0.249) 3.172 9.118 ( -3.810 1.235 0.240) 4.013 9.201 ( 3.081 0.456 -0.199) 3.121 10.373 ( -42.499 23.052 3.280) 48.460 11.152 ( 22.070 2.937 -4.091) 22.637 12.430 ( -1.310 -0.894 0.181) 1.596 12.479 ( 2.315 -0.490 -0.263) 2.381 12.681 ( -2.552 1.266 0.407) 2.877 12.739 ( 1.536 0.064 -0.313) 1.569 13.746 ( -24.093 10.973 -0.725) 26.484 14.192 ( 31.329 14.783 -1.663) 34.681 15.146 ( -1.063 -0.013 0.809) 1.336 15.214 ( 0.425 -0.335 -0.442) 0.699 17.078 ( 0.163 -0.057 0.804) 0.822 17.150 ( 1.125 -2.216 -0.847) 2.626 17.191 ( 0.178 -0.863 0.273) 0.923 17.236 ( -0.523 -0.099 -0.867) 1.017 17.283 ( 0.147 0.799 0.561) 0.988 17.318 ( -0.288 -0.732 -0.116) 0.795 17.625 ( -4.546 -1.044 0.388) 4.680 17.678 ( 3.761 -1.163 0.204) 3.942 19.936 ( -6.898 8.438 2.477) 11.176 20.243 ( 4.607 1.017 -1.135) 4.853 20.351 ( 2.247 3.715 1.244) 4.516 20.500 ( 1.749 2.947 -2.683) 4.352 27.202 ( -2.059 0.406 0.104) 2.101 27.231 ( 1.782 0.399 0.033) 1.826 27.445 ( -0.207 -0.366 0.644) 0.769 27.499 ( 0.240 0.016 -0.522) 0.574 30.377 ( -1.983 0.596 1.058) 2.325 30.515 ( 1.977 0.034 -1.634) 2.565 33.137 ( -0.029 -1.916 2.814) 3.405 33.233 ( -0.894 3.271 0.517) 3.431 33.682 ( -0.424 -3.839 -1.110) 4.019 33.804 ( 1.328 7.317 -3.245) 8.114 34.226 ( 2.722 -1.252 2.762) 4.075 34.373 ( -3.469 -1.253 -3.576) 5.137 34.851 ( -2.502 -0.974 3.142) 4.133 35.116 ( 4.440 -5.539 -3.881) 8.091 35.487 ( -0.292 -1.799 7.944) 8.150 35.860 ( -0.467 -1.531 -3.359) 3.721 39.633 ( -3.778 -4.672 15.580) 16.698 41.147 ( 6.069 -10.158 -18.581) 22.029 45.364 ( -0.099 0.263 0.324) 0.429 45.399 ( 0.129 0.639 -0.437) 0.785 ======================= Grid point 120 (55/115) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -12.280 3.326 3.015) 13.075 0.969 ( 14.462 13.469 -5.187) 20.432 1.316 ( -1.567 4.564 2.429) 5.402 1.364 ( -1.893 5.923 -0.225) 6.222 1.526 ( 1.377 -2.075 -2.184) 3.312 1.684 ( -2.218 2.126 -0.766) 3.167 1.791 ( 0.804 3.897 -6.190) 7.358 1.847 ( 2.242 -3.368 -3.408) 5.290 1.949 ( 1.232 -2.740 -1.106) 3.202 1.977 ( -3.828 -2.016 -1.266) 4.507 2.047 ( 0.905 -1.657 -3.912) 4.344 2.118 ( -0.637 -1.650 0.640) 1.881 2.232 ( 1.855 -1.413 0.974) 2.527 2.304 ( -2.884 3.783 -2.734) 5.487 2.322 ( -2.508 -4.287 0.507) 4.993 2.378 ( 0.433 0.887 -0.960) 1.377 2.515 ( 5.035 4.732 2.615) 7.388 2.538 ( -0.271 3.323 5.017) 6.024 2.622 ( -1.575 -0.525 -0.011) 1.660 2.676 ( -1.762 -4.548 -2.685) 5.567 2.939 ( -1.066 0.983 -0.396) 1.503 2.968 ( 2.290 1.471 0.487) 2.765 3.127 ( 1.017 -1.874 -0.613) 2.219 3.162 ( 4.497 2.070 -2.588) 5.586 3.267 ( 1.150 0.447 -1.112) 1.661 3.340 ( -2.643 -0.544 -0.019) 2.698 3.355 ( -0.779 -1.868 1.968) 2.823 3.410 ( 0.583 -2.785 -2.403) 3.725 3.418 ( 1.700 -0.832 -3.018) 3.562 3.540 ( 0.304 0.040 0.876) 0.928 3.554 ( 0.207 -1.216 1.670) 2.076 3.559 ( 1.716 -1.775 1.700) 2.998 3.735 ( -2.548 -0.388 3.661) 4.478 3.749 ( 2.681 1.816 2.139) 3.880 3.997 ( -3.315 0.989 -0.395) 3.482 4.071 ( 1.750 0.232 -0.682) 1.892 4.206 ( -1.576 -0.543 2.628) 3.112 4.252 ( 1.839 -1.361 0.537) 2.350 4.505 ( -4.008 1.022 0.444) 4.160 4.662 ( 4.198 0.509 0.128) 4.231 9.070 ( -2.738 1.449 0.181) 3.102 9.201 ( 3.461 2.346 -0.489) 4.210 9.691 ( -41.561 15.999 6.374) 44.988 11.275 ( 17.728 -1.447 -6.266) 18.858 12.435 ( -1.654 -0.850 -0.008) 1.860 12.517 ( 3.453 -1.188 -0.178) 3.656 12.636 ( -3.468 1.223 0.474) 3.708 12.746 ( 1.552 0.432 -0.288) 1.636 13.473 ( -9.818 5.494 0.079) 11.251 14.220 ( 30.131 5.785 -3.810) 30.917 15.137 ( -0.427 0.538 1.039) 1.246 15.219 ( 1.288 0.339 -0.009) 1.332 17.074 ( 0.142 0.692 0.512) 0.873 17.165 ( 0.322 0.769 -2.154) 2.310 17.207 ( -0.002 -0.779 0.108) 0.786 17.253 ( 1.210 -1.104 -0.540) 1.725 17.272 ( -0.993 0.190 1.417) 1.741 17.332 ( -0.624 -1.114 0.213) 1.295 17.605 ( -4.982 -0.606 0.280) 5.027 17.719 ( 2.223 -0.681 0.233) 2.336 19.799 ( -2.838 2.847 3.407) 5.269 20.273 ( 2.093 -1.427 -0.830) 2.666 20.343 ( 4.579 0.208 0.097) 4.585 20.489 ( 1.463 -1.603 -4.651) 5.132 27.176 ( -1.785 0.718 -0.012) 1.924 27.236 ( 1.674 0.289 0.112) 1.702 27.447 ( -0.243 0.089 0.605) 0.658 27.497 ( 0.090 0.143 -0.666) 0.687 30.364 ( -2.686 -0.984 1.041) 3.044 30.544 ( 2.198 -1.465 -1.253) 2.924 33.166 ( -1.531 0.881 1.731) 2.473 33.202 ( 0.710 -2.199 1.864) 2.969 33.687 ( 0.571 4.950 -0.935) 5.069 33.779 ( 0.864 -6.172 -3.223) 7.016 34.245 ( -0.224 0.800 0.839) 1.181 34.349 ( 0.984 2.178 -2.049) 3.148 34.828 ( -1.771 2.336 4.929) 5.735 35.186 ( 1.349 -0.811 -6.946) 7.122 35.523 ( -2.858 -1.175 8.017) 8.592 35.887 ( 0.010 -2.019 -2.402) 3.138 39.627 ( -3.580 5.337 16.457) 17.667 41.264 ( 1.391 -2.861 -22.370) 22.595 45.361 ( -0.015 0.118 0.268) 0.293 45.391 ( 0.423 0.254 -0.353) 0.607 ======================= Grid point 125 (56/115) ======================= q-point: ( 0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 0.039 0.000 -3.198) 3.198 0.943 ( -2.687 -0.000 -14.561) 14.807 1.083 ( -0.087 -0.000 0.970) 0.974 1.214 ( 11.671 0.000 -5.139) 12.752 1.427 ( 10.484 0.000 -1.043) 10.536 1.428 ( -15.904 -0.000 -3.953) 16.388 1.590 ( -1.183 -0.000 -2.451) 2.722 1.719 ( -2.196 -0.000 -1.730) 2.795 1.814 ( -5.238 -0.000 3.547) 6.326 1.864 ( 0.586 0.000 8.084) 8.105 2.104 ( 2.253 0.000 5.681) 6.112 2.106 ( -1.258 -0.000 1.370) 1.861 2.185 ( -8.963 -0.000 -2.493) 9.303 2.216 ( 11.243 0.000 8.223) 13.929 2.324 ( -0.191 -0.000 -1.393) 1.406 2.410 ( -1.825 -0.000 -4.387) 4.752 2.423 ( 1.076 0.000 -3.238) 3.412 2.678 ( 3.212 0.000 -0.498) 3.250 2.745 ( 1.849 0.000 0.840) 2.031 2.871 ( 1.626 0.000 -0.703) 1.771 2.979 ( 3.742 0.000 0.640) 3.796 2.982 ( 1.836 0.000 -5.893) 6.172 3.101 ( -7.205 -0.000 -0.682) 7.237 3.164 ( 0.399 0.000 1.750) 1.795 3.193 ( -2.621 -0.000 3.634) 4.481 3.212 ( 5.738 0.000 -5.497) 7.946 3.316 ( 0.476 0.000 2.154) 2.206 3.369 ( -4.564 -0.000 1.369) 4.765 3.388 ( -0.592 -0.000 2.028) 2.113 3.471 ( 0.109 0.000 -3.327) 3.329 3.507 ( -4.445 -0.000 5.430) 7.017 3.548 ( -0.139 -0.000 2.548) 2.551 3.716 ( -1.426 -0.000 -1.458) 2.039 3.868 ( -0.599 -0.000 -0.788) 0.990 3.901 ( 0.618 0.000 -2.193) 2.278 3.910 ( -0.167 -0.000 1.201) 1.213 4.118 ( 2.490 0.000 2.065) 3.235 4.276 ( -1.696 -0.000 -1.079) 2.010 4.335 ( -0.577 -0.000 2.367) 2.436 4.389 ( -0.015 -0.000 -0.303) 0.303 9.144 ( 1.625 0.000 -0.335) 1.659 9.149 ( 1.217 0.000 -0.165) 1.228 11.187 ( -1.215 -0.000 14.294) 14.346 11.900 ( 6.814 0.000 -7.984) 10.497 12.389 ( -0.951 -0.000 0.950) 1.344 12.469 ( -0.557 -0.000 -0.883) 1.044 12.722 ( 0.320 0.000 0.421) 0.528 12.758 ( 0.714 0.000 -0.546) 0.899 14.686 ( 7.647 0.000 17.608) 19.197 15.114 ( 0.687 0.000 -0.322) 0.759 15.147 ( -1.158 -0.000 0.044) 1.159 16.027 ( 22.811 0.000 -20.906) 30.943 17.082 ( 3.634 0.000 -1.503) 3.933 17.115 ( -0.445 -0.000 0.468) 0.646 17.157 ( -0.103 -0.000 -0.472) 0.483 17.259 ( 1.151 0.000 -0.864) 1.440 17.284 ( -0.088 -0.000 0.616) 0.622 17.301 ( -2.408 -0.000 -1.435) 2.803 17.516 ( -0.378 -0.000 0.439) 0.579 17.642 ( -1.931 -0.000 -1.251) 2.301 20.288 ( -5.667 -0.000 4.553) 7.269 20.361 ( 4.697 0.000 10.496) 11.499 20.415 ( 1.890 0.000 -4.103) 4.517 22.248 ( 49.828 0.000 -41.595) 64.908 27.118 ( -0.286 -0.000 0.565) 0.633 27.180 ( -0.805 -0.000 -0.166) 0.822 27.431 ( 0.081 0.000 -0.124) 0.148 27.455 ( 1.860 0.000 -0.994) 2.109 30.354 ( -1.378 -0.000 2.646) 2.983 30.676 ( 0.826 0.000 -3.576) 3.670 33.134 ( -1.408 -0.000 7.848) 7.973 33.505 ( 1.126 0.000 -2.483) 2.726 33.575 ( -2.089 -0.000 12.903) 13.071 33.908 ( -2.235 -0.000 2.923) 3.679 34.056 ( 1.915 0.000 -1.522) 2.446 34.148 ( -0.637 -0.000 -0.908) 1.109 34.377 ( -1.717 -0.000 2.390) 2.943 34.645 ( -1.624 -0.000 -1.995) 2.572 35.461 ( -1.124 -0.000 4.151) 4.300 35.813 ( -2.251 -0.000 -2.883) 3.658 38.770 ( 0.789 0.000 13.717) 13.740 39.742 ( -1.483 -0.000 -5.965) 6.147 45.381 ( 0.174 0.000 0.482) 0.512 45.464 ( 0.643 0.000 -1.505) 1.636 ======================= Grid point 126 (57/115) ======================= q-point: (-0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -2.285 -6.281 -8.998) 11.209 1.008 ( -4.075 -4.318 -6.033) 8.465 1.132 ( 2.608 -5.003 2.434) 6.144 1.316 ( -2.329 -7.977 -5.792) 10.129 1.410 ( 2.173 -4.898 -3.192) 6.237 1.473 ( 10.251 4.596 4.244) 12.009 1.578 ( -1.905 -3.113 -8.787) 9.515 1.692 ( -5.204 -0.564 0.154) 5.236 1.778 ( -2.722 1.017 2.089) 3.578 1.936 ( -1.253 -1.077 6.775) 6.973 2.001 ( -1.217 0.764 1.985) 2.450 2.090 ( -0.495 1.161 6.470) 6.592 2.229 ( -1.338 -3.670 0.783) 3.984 2.267 ( -3.650 1.737 -5.339) 6.696 2.346 ( 1.492 -0.035 -3.832) 4.112 2.392 ( 2.014 2.875 -3.186) 4.741 2.458 ( 6.489 -5.314 4.055) 9.316 2.685 ( 3.952 1.937 1.792) 4.752 2.777 ( 1.522 -1.036 0.304) 1.866 2.817 ( 0.742 5.787 -1.410) 6.002 2.924 ( -2.186 1.913 -2.044) 3.552 3.019 ( 1.204 1.016 0.196) 1.587 3.104 ( 1.201 -2.737 -1.410) 3.304 3.117 ( -3.410 1.487 2.954) 4.750 3.198 ( 1.063 -1.189 0.491) 1.669 3.256 ( -0.751 -1.373 -3.087) 3.461 3.317 ( -0.119 1.926 0.107) 1.933 3.369 ( 0.305 -3.082 1.376) 3.389 3.403 ( -1.479 -1.612 1.460) 2.630 3.478 ( -1.470 -1.874 -3.000) 3.830 3.509 ( -3.479 -1.106 4.376) 5.699 3.575 ( 0.391 -1.902 2.659) 3.292 3.676 ( -0.355 2.575 -0.930) 2.760 3.876 ( -0.632 -1.010 -2.033) 2.356 3.881 ( 2.872 1.276 -0.183) 3.148 3.913 ( -2.370 -0.335 0.975) 2.584 4.155 ( 3.527 -0.278 0.216) 3.544 4.189 ( -1.711 3.295 0.260) 3.721 4.356 ( -0.361 -2.622 2.934) 3.952 4.489 ( 0.610 -5.912 -1.060) 6.037 9.151 ( 1.133 -0.296 -0.142) 1.180 9.161 ( -1.222 -0.674 -0.029) 1.396 11.147 ( -8.834 2.148 10.071) 13.568 11.851 ( 6.235 9.162 -5.900) 12.555 12.390 ( -0.388 -0.399 0.879) 1.041 12.468 ( 0.143 -0.166 -0.873) 0.900 12.724 ( -0.338 -0.120 0.288) 0.460 12.755 ( 0.218 0.566 -0.383) 0.717 14.589 ( -7.603 11.381 12.953) 18.845 15.123 ( -0.330 -0.584 -0.285) 0.729 15.146 ( -0.179 -0.518 -0.368) 0.660 15.879 ( 13.678 26.638 -15.229) 33.595 17.076 ( 0.842 1.829 -0.191) 2.022 17.114 ( 2.097 1.735 -0.847) 2.851 17.131 ( -0.014 0.290 0.728) 0.784 17.256 ( -1.350 -0.004 -1.506) 2.023 17.285 ( -0.517 -0.451 0.064) 0.689 17.304 ( 0.887 -0.291 -0.456) 1.039 17.548 ( 1.966 -2.382 0.457) 3.123 17.618 ( -1.245 0.797 -0.803) 1.682 20.242 ( -6.633 0.139 1.569) 6.818 20.333 ( 3.383 3.309 2.024) 5.147 20.533 ( -1.501 -5.920 3.691) 7.136 22.035 ( 33.408 45.384 -26.082) 62.098 27.151 ( 1.391 -2.628 0.242) 2.984 27.185 ( -0.933 -0.956 -0.085) 1.338 27.440 ( -0.430 -0.435 -0.488) 0.783 27.462 ( 1.890 0.040 -0.271) 1.910 30.384 ( 0.281 -2.516 1.597) 2.993 30.648 ( 0.275 2.738 -3.379) 4.358 33.124 ( -1.125 1.108 7.070) 7.244 33.455 ( -1.112 3.742 1.780) 4.290 33.623 ( 0.304 -1.753 6.808) 7.036 33.929 ( -0.628 -2.766 2.553) 3.816 34.143 ( 1.407 -3.490 -2.814) 4.699 34.156 ( -0.891 -5.010 -1.746) 5.380 34.475 ( -0.586 -10.257 2.236) 10.514 34.626 ( -0.944 -0.442 -0.697) 1.254 35.458 ( -0.605 0.348 4.287) 4.343 35.806 ( -0.646 -0.824 -3.522) 3.674 38.914 ( 0.112 -11.217 15.149) 18.850 39.947 ( 1.884 -22.005 -8.947) 23.829 45.381 ( -0.023 0.183 0.503) 0.536 45.456 ( 0.510 0.975 -1.272) 1.682 ======================= Grid point 127 (58/115) ======================= q-point: (-0.33 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -10.626 -7.108 0.043) 12.784 1.073 ( 0.356 -6.131 -4.428) 7.571 1.290 ( -0.984 -7.993 -2.135) 8.331 1.382 ( 2.474 3.560 10.189) 11.072 1.495 ( -1.649 -4.094 -0.899) 4.504 1.549 ( 6.916 -6.390 -6.109) 11.224 1.622 ( -7.205 -3.425 -1.872) 8.194 1.688 ( 0.548 -2.063 -2.830) 3.545 1.793 ( 0.105 -7.407 -3.014) 7.998 1.944 ( -0.018 -0.755 -1.475) 1.658 2.003 ( -0.505 0.147 2.934) 2.981 2.098 ( 0.832 0.150 3.314) 3.420 2.222 ( -2.688 -0.611 -3.127) 4.169 2.270 ( 2.587 0.616 -2.598) 3.718 2.306 ( 2.637 4.693 -4.488) 7.008 2.354 ( 0.425 0.222 -1.557) 1.629 2.557 ( 1.185 -0.184 3.870) 4.052 2.636 ( -1.474 5.437 1.069) 5.733 2.751 ( 5.407 -0.342 1.082) 5.525 2.812 ( 1.145 2.437 1.996) 3.352 2.855 ( -1.032 2.043 -0.699) 2.393 3.018 ( 3.537 0.214 0.041) 3.543 3.100 ( -2.800 -2.537 0.290) 3.790 3.169 ( 0.696 -0.364 1.077) 1.333 3.211 ( -4.235 -0.558 -1.100) 4.411 3.246 ( 0.271 -2.164 -0.529) 2.244 3.325 ( 2.666 0.029 -1.263) 2.950 3.396 ( 0.766 1.164 -1.090) 1.769 3.404 ( -2.528 0.257 1.345) 2.875 3.501 ( -0.654 -1.447 -1.768) 2.376 3.509 ( -1.434 -0.566 2.303) 2.772 3.606 ( -2.937 -1.941 2.514) 4.326 3.664 ( 2.123 -1.140 0.595) 2.482 3.833 ( 1.002 3.616 -0.578) 3.796 3.922 ( 0.361 -3.023 -0.337) 3.063 3.948 ( 0.282 -3.588 -0.230) 3.607 4.133 ( -0.326 0.788 1.005) 1.318 4.194 ( 1.054 -0.774 0.142) 1.315 4.434 ( 1.016 -4.243 3.036) 5.315 4.572 ( 1.086 -2.636 -1.165) 3.080 9.144 ( -3.633 0.192 0.334) 3.654 9.177 ( 0.782 -1.187 0.052) 1.422 10.967 ( -29.325 6.525 3.134) 30.205 11.638 ( 10.266 17.546 -3.109) 20.565 12.400 ( -0.133 -0.653 0.620) 0.910 12.474 ( 1.152 -0.094 -0.687) 1.344 12.716 ( -2.083 0.325 0.024) 2.108 12.746 ( 0.906 0.531 -0.034) 1.050 14.229 ( -27.058 14.535 4.917) 31.106 15.123 ( -0.270 1.888 -1.803) 2.624 15.148 ( 2.240 3.015 0.366) 3.773 15.309 ( 12.866 32.661 -8.611) 36.145 17.067 ( 0.418 -0.502 0.393) 0.763 17.092 ( 3.280 1.424 0.127) 3.578 17.154 ( 1.182 -1.036 1.157) 1.952 17.239 ( -1.882 0.099 -1.382) 2.337 17.293 ( -0.449 -0.666 -0.142) 0.816 17.311 ( 0.949 0.289 -0.527) 1.123 17.593 ( -2.661 -0.589 0.180) 2.731 17.620 ( 3.906 -1.603 -0.012) 4.222 20.172 ( -9.233 2.032 -0.295) 9.459 20.308 ( 3.065 2.219 1.072) 3.933 20.547 ( -6.370 1.840 0.018) 6.631 21.274 ( 19.257 44.844 -7.003) 49.304 27.193 ( -1.899 -0.899 0.133) 2.106 27.211 ( 2.226 -1.790 -0.044) 2.857 27.434 ( -0.464 0.116 0.153) 0.502 27.485 ( 1.243 -0.766 -0.430) 1.522 30.418 ( 0.150 0.046 0.775) 0.791 30.582 ( 0.495 3.247 -2.674) 4.235 33.112 ( -0.558 0.479 5.233) 5.284 33.377 ( -1.406 3.876 1.140) 4.278 33.635 ( -0.897 0.484 3.020) 3.188 33.983 ( 0.260 -1.515 0.017) 1.537 34.187 ( 1.408 -1.080 -4.096) 4.464 34.235 ( -0.038 -3.131 -1.253) 3.372 34.639 ( -6.881 -8.359 1.648) 10.952 34.778 ( 9.902 -11.726 1.998) 15.477 35.458 ( -0.067 0.104 5.251) 5.252 35.817 ( 0.554 -0.904 -4.101) 4.236 39.190 ( -2.667 -15.288 15.615) 22.015 40.463 ( 10.372 -26.782 -12.888) 31.479 45.376 ( -0.181 0.306 0.456) 0.578 45.435 ( 0.136 1.263 -0.931) 1.575 ======================= Grid point 128 (59/115) ======================= q-point: (-0.22 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -6.455 0.400 3.087) 7.166 1.184 ( -6.569 -8.570 0.677) 10.819 1.306 ( 4.373 2.359 -8.123) 9.522 1.353 ( -1.731 1.558 7.802) 8.142 1.556 ( -9.043 -6.855 5.626) 12.665 1.661 ( 4.665 -1.625 -1.005) 5.041 1.703 ( -4.755 -4.304 -0.604) 6.442 1.723 ( 6.767 -2.987 -7.922) 10.839 1.928 ( -5.697 -3.108 -1.329) 6.624 1.949 ( -3.044 -3.464 -4.079) 6.156 2.065 ( 2.655 1.573 -2.373) 3.894 2.089 ( 1.699 -5.159 1.163) 5.554 2.207 ( 2.636 2.892 -4.042) 5.625 2.242 ( 5.250 1.006 -4.637) 7.076 2.278 ( 1.876 -0.350 -2.465) 3.118 2.332 ( 0.173 1.601 2.051) 2.608 2.518 ( -0.213 3.795 1.388) 4.046 2.599 ( -2.081 -1.907 2.653) 3.874 2.725 ( -4.652 2.630 -1.678) 5.601 2.797 ( 6.930 4.514 2.621) 8.675 2.822 ( 0.825 0.906 1.171) 1.695 3.058 ( 4.008 -1.341 -0.330) 4.239 3.112 ( -3.135 1.525 0.471) 3.518 3.171 ( 0.853 -2.191 1.298) 2.686 3.209 ( -3.441 -1.893 -0.202) 3.932 3.296 ( -0.483 -2.358 -0.001) 2.407 3.344 ( 2.538 -0.782 -2.458) 3.619 3.367 ( 1.676 1.302 -2.487) 3.270 3.387 ( 0.946 0.875 -0.911) 1.578 3.509 ( 0.338 0.002 1.354) 1.395 3.518 ( 0.225 -0.685 -0.471) 0.861 3.628 ( -1.652 -0.348 1.591) 2.319 3.688 ( -0.697 -0.561 1.967) 2.161 3.799 ( 1.786 1.046 2.565) 3.296 3.974 ( -1.673 -2.667 -0.639) 3.212 4.020 ( 1.827 -2.922 -1.442) 3.736 4.136 ( -1.833 -1.414 1.976) 3.043 4.221 ( 2.261 -0.945 0.610) 2.526 4.504 ( -0.322 -1.730 2.096) 2.737 4.624 ( 3.268 -2.027 -0.353) 3.862 9.104 ( -4.629 0.642 0.184) 4.677 9.207 ( 0.618 -1.327 0.250) 1.485 10.399 ( -54.640 18.871 -0.936) 57.814 11.445 ( 15.428 11.763 -0.774) 19.416 12.411 ( -0.363 -0.545 0.217) 0.690 12.490 ( 2.518 -0.347 -0.272) 2.556 12.682 ( -3.227 1.115 0.054) 3.415 12.750 ( 1.100 -0.009 -0.058) 1.102 13.765 ( -26.174 11.008 0.095) 28.395 14.770 ( 18.968 25.271 -4.233) 31.880 15.137 ( -0.546 -0.329 1.484) 1.615 15.201 ( 0.437 -0.758 -0.855) 1.224 17.079 ( 0.466 -0.256 0.596) 0.798 17.122 ( 3.123 -1.545 0.048) 3.484 17.182 ( 1.230 -0.674 1.129) 1.800 17.227 ( -0.771 -0.218 -1.012) 1.291 17.299 ( -0.049 0.098 -0.126) 0.167 17.307 ( 0.100 0.184 -0.422) 0.472 17.580 ( -3.408 -0.544 0.231) 3.459 17.679 ( 3.300 -1.536 0.145) 3.643 20.012 ( -11.263 6.307 0.019) 12.908 20.292 ( 1.749 1.657 0.730) 2.517 20.437 ( -2.573 3.873 -0.685) 4.700 20.762 ( 11.622 22.220 -0.968) 25.094 27.189 ( -2.090 -0.234 0.129) 2.107 27.243 ( 1.396 -0.330 0.022) 1.435 27.436 ( -0.256 -0.421 0.540) 0.731 27.499 ( 0.571 -0.175 -0.551) 0.813 30.387 ( -2.109 1.935 0.578) 2.920 30.546 ( 2.515 1.491 -1.760) 3.413 33.119 ( 0.072 -0.640 3.796) 3.851 33.294 ( -1.378 3.919 0.346) 4.169 33.632 ( -1.007 -1.053 0.768) 1.648 33.938 ( 0.637 5.887 -3.874) 7.076 34.212 ( 0.467 -1.728 -0.181) 1.799 34.305 ( 1.031 -3.816 -0.204) 3.958 34.743 ( -6.204 -6.952 1.145) 9.388 35.042 ( 8.828 -7.488 -1.141) 11.632 35.476 ( 0.331 -0.799 7.246) 7.298 35.833 ( 1.239 -0.930 -3.883) 4.181 39.461 ( -3.982 -12.685 15.444) 20.378 40.942 ( 12.793 -16.293 -16.337) 26.383 45.369 ( -0.228 0.308 0.382) 0.541 45.412 ( -0.125 0.923 -0.649) 1.135 ======================= Grid point 129 (60/115) ======================= q-point: (-0.11 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -12.206 5.174 4.310) 13.940 1.229 ( 9.550 4.960 -7.352) 13.033 1.330 ( -0.872 0.062 2.881) 3.010 1.396 ( -0.780 -7.813 3.714) 8.686 1.532 ( -0.399 7.137 -1.157) 7.241 1.666 ( -6.862 -2.291 2.046) 7.518 1.768 ( -4.416 -5.068 -0.511) 6.742 1.815 ( 5.066 -2.354 -7.476) 9.333 1.887 ( -2.164 -0.333 -3.013) 3.725 1.965 ( 1.573 0.976 -1.842) 2.611 2.046 ( 1.719 2.281 -5.066) 5.815 2.138 ( 0.683 -1.117 -0.511) 1.406 2.203 ( -3.991 -2.731 0.801) 4.902 2.260 ( 4.975 1.726 -2.572) 5.860 2.320 ( -2.378 -2.016 1.087) 3.302 2.355 ( 2.220 -1.578 -1.193) 2.974 2.502 ( 0.193 -0.728 1.500) 1.678 2.589 ( -0.769 0.275 2.892) 3.005 2.632 ( -4.965 2.645 -2.677) 6.230 2.740 ( 5.380 5.367 1.606) 7.767 2.882 ( 2.494 -5.204 1.828) 6.053 3.030 ( -3.024 4.142 -0.984) 5.222 3.114 ( 4.684 -1.054 -1.007) 4.905 3.209 ( 1.132 -0.059 -0.610) 1.287 3.238 ( -1.723 -3.149 1.186) 3.781 3.315 ( -2.494 -0.610 -0.682) 2.657 3.356 ( 2.146 0.908 -0.469) 2.377 3.378 ( 2.193 -0.640 -3.751) 4.392 3.399 ( 2.500 -1.204 -2.547) 3.766 3.523 ( -1.159 -1.450 2.447) 3.072 3.537 ( 2.088 -0.713 -0.405) 2.243 3.591 ( -0.205 2.500 0.895) 2.663 3.705 ( -2.293 -1.473 4.180) 4.990 3.801 ( 2.222 1.186 2.564) 3.594 3.983 ( -2.897 -0.176 -0.173) 2.908 4.071 ( 1.672 -1.370 -1.286) 2.515 4.163 ( -1.797 -2.297 1.917) 3.490 4.256 ( 2.158 -0.645 0.692) 2.356 4.501 ( -2.116 0.985 0.940) 2.516 4.686 ( 3.588 -1.245 0.400) 3.819 9.066 ( -2.843 0.260 0.018) 2.855 9.234 ( 0.986 -0.893 0.128) 1.336 9.679 ( -43.412 15.174 2.346) 46.048 11.394 ( 10.571 4.293 -2.222) 11.623 12.415 ( -0.555 -0.362 0.001) 0.663 12.523 ( 3.465 -0.858 -0.059) 3.570 12.633 ( -3.780 1.272 0.167) 3.992 12.758 ( 0.871 -0.037 -0.138) 0.883 13.490 ( -10.913 4.464 -0.150) 11.792 14.547 ( 14.849 11.523 -3.775) 19.170 15.142 ( 0.090 -0.081 1.954) 1.958 15.218 ( 0.226 -0.793 -0.419) 0.925 17.085 ( 0.324 0.152 0.817) 0.891 17.164 ( 0.864 -0.871 -1.540) 1.969 17.200 ( 0.951 -0.345 0.596) 1.175 17.239 ( 1.581 -0.896 0.450) 1.872 17.284 ( -0.234 1.037 -0.197) 1.082 17.310 ( -0.686 -0.621 0.044) 0.926 17.563 ( -3.551 -0.392 0.125) 3.575 17.721 ( 1.894 -0.838 0.210) 2.082 19.839 ( -5.975 4.223 1.947) 7.572 20.278 ( 0.531 0.652 0.712) 1.102 20.389 ( 1.256 1.209 -0.211) 1.756 20.544 ( 4.584 7.984 -2.766) 9.612 27.175 ( -1.496 0.270 0.025) 1.520 27.251 ( 0.801 0.222 0.103) 0.838 27.444 ( -0.187 -0.350 0.615) 0.732 27.500 ( 0.175 0.176 -0.534) 0.589 30.343 ( -2.089 0.746 0.532) 2.282 30.547 ( 2.194 0.164 -1.103) 2.461 33.149 ( 0.312 -1.638 2.824) 3.280 33.219 ( -1.217 2.854 0.594) 3.159 33.672 ( -0.299 -3.800 -1.389) 4.057 33.810 ( 0.842 6.654 -2.966) 7.334 34.231 ( -2.463 -0.904 -1.429) 2.987 34.381 ( 4.794 -1.327 2.297) 5.479 34.800 ( -4.908 -3.243 1.523) 6.077 35.169 ( 4.071 -1.972 -4.863) 6.642 35.504 ( -1.248 -0.579 7.715) 7.837 35.859 ( 1.714 -1.216 -2.297) 3.113 39.629 ( -3.886 -4.994 15.611) 16.845 41.187 ( 8.053 -5.304 -18.884) 21.204 45.364 ( -0.147 0.188 0.318) 0.398 45.398 ( -0.007 0.401 -0.473) 0.620 ======================= Grid point 135 (61/115) ======================= q-point: (-0.44 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -11.135 -0.000 -10.617) 15.385 0.890 ( 3.991 0.000 -9.412) 10.224 1.114 ( -17.947 -0.000 -2.546) 18.126 1.130 ( 5.681 0.000 -2.159) 6.078 1.430 ( 12.935 0.000 -5.277) 13.970 1.525 ( 6.600 0.000 -10.891) 12.735 1.603 ( -1.480 -0.000 7.996) 8.132 1.649 ( -8.383 -0.000 1.453) 8.508 1.827 ( 6.367 0.000 6.235) 8.912 1.893 ( 0.608 0.000 6.511) 6.539 2.031 ( -8.347 -0.000 1.310) 8.449 2.095 ( -0.741 -0.000 1.120) 1.342 2.161 ( 2.760 0.000 5.925) 6.536 2.240 ( -6.122 -0.000 -7.884) 9.982 2.355 ( 2.983 0.000 0.802) 3.089 2.427 ( 0.615 0.000 -3.285) 3.342 2.473 ( 8.697 0.000 2.529) 9.057 2.731 ( 3.823 0.000 1.011) 3.955 2.768 ( 0.335 0.000 0.224) 0.403 2.859 ( -2.642 -0.000 -0.519) 2.692 2.991 ( -6.343 -0.000 -2.037) 6.662 2.994 ( 2.527 0.000 -5.866) 6.387 3.024 ( 1.789 0.000 0.246) 1.806 3.164 ( -1.109 -0.000 1.158) 1.603 3.187 ( 0.461 0.000 3.678) 3.707 3.225 ( -3.149 -0.000 -3.499) 4.707 3.321 ( -2.324 -0.000 1.040) 2.546 3.344 ( 1.541 0.000 1.059) 1.870 3.402 ( 1.329 0.000 2.514) 2.844 3.445 ( -1.464 -0.000 -2.981) 3.321 3.477 ( -0.587 -0.000 4.597) 4.634 3.574 ( 1.702 0.000 2.168) 2.757 3.704 ( 0.744 0.000 -1.600) 1.764 3.853 ( -0.956 -0.000 -1.296) 1.610 3.897 ( -0.417 -0.000 -1.485) 1.542 3.921 ( 1.111 0.000 1.338) 1.739 4.162 ( 2.045 0.000 2.872) 3.525 4.247 ( -1.156 -0.000 -1.146) 1.628 4.351 ( 1.296 0.000 1.812) 2.228 4.396 ( 1.182 0.000 -0.225) 1.203 9.146 ( -1.317 -0.000 -0.254) 1.341 9.146 ( -1.217 -0.000 -0.247) 1.242 11.083 ( -19.086 -0.000 10.191) 21.636 11.966 ( 5.477 0.000 -4.765) 7.260 12.388 ( 0.333 0.000 0.939) 0.996 12.468 ( 0.766 0.000 -0.914) 1.193 12.719 ( -0.914 -0.000 0.321) 0.969 12.759 ( -0.422 -0.000 -0.495) 0.650 14.603 ( -24.983 -0.000 12.586) 27.974 15.114 ( -0.626 -0.000 -0.279) 0.685 15.137 ( 0.007 0.000 -0.657) 0.657 16.192 ( 8.081 0.000 -12.134) 14.578 17.098 ( -1.626 -0.000 -0.465) 1.691 17.120 ( 0.793 0.000 0.731) 1.078 17.181 ( 4.367 0.000 -1.228) 4.536 17.241 ( -0.455 -0.000 -1.953) 2.006 17.279 ( -0.872 -0.000 0.152) 0.885 17.313 ( 1.767 0.000 -0.324) 1.797 17.540 ( 3.017 0.000 1.374) 3.315 17.623 ( 0.315 0.000 -2.159) 2.182 20.177 ( -10.711 -0.000 2.841) 11.082 20.427 ( 1.518 0.000 -2.807) 3.191 20.431 ( 0.256 0.000 9.232) 9.236 22.765 ( 37.963 0.000 -34.729) 51.452 27.127 ( 1.165 0.000 0.969) 1.515 27.174 ( 0.212 0.000 -0.536) 0.576 27.431 ( -0.003 -0.000 -0.144) 0.144 27.481 ( 2.128 0.000 -1.070) 2.382 30.357 ( 0.559 0.000 2.912) 2.965 30.675 ( 0.819 0.000 -4.377) 4.453 33.144 ( -0.939 -0.000 8.249) 8.302 33.510 ( 0.673 0.000 -2.267) 2.365 33.611 ( 0.421 0.000 17.318) 17.323 33.902 ( 0.029 0.000 2.723) 2.723 34.061 ( -1.095 -0.000 -1.274) 1.680 34.122 ( -1.474 -0.000 -2.461) 2.869 34.353 ( -2.540 -0.000 1.697) 3.054 34.625 ( 0.089 0.000 -2.775) 2.777 35.466 ( -0.208 -0.000 4.652) 4.656 35.793 ( 1.078 0.000 -3.688) 3.842 38.847 ( 2.939 0.000 16.949) 17.202 39.705 ( -0.169 -0.000 -7.994) 7.996 45.383 ( -0.198 -0.000 0.551) 0.585 45.468 ( 0.589 0.000 -1.535) 1.644 ======================= Grid point 136 (62/115) ======================= q-point: (-0.33 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -13.681 -5.653 -6.111) 16.014 0.971 ( 0.695 -4.224 -4.389) 6.131 1.110 ( -13.155 -13.097 -6.955) 19.824 1.208 ( 0.590 -3.809 2.525) 4.608 1.531 ( 4.440 -1.356 -5.796) 7.427 1.557 ( 1.089 1.474 3.533) 3.980 1.580 ( 4.151 0.729 -3.587) 5.534 1.609 ( -1.425 -3.694 0.213) 3.965 1.804 ( 6.034 4.155 2.006) 7.596 1.946 ( 0.146 0.407 2.439) 2.477 2.016 ( 2.011 -1.203 4.731) 5.279 2.097 ( -0.938 -0.605 3.492) 3.666 2.167 ( -4.190 -0.694 -5.033) 6.586 2.247 ( 1.657 -4.377 1.378) 4.879 2.354 ( 1.089 1.769 -2.233) 3.050 2.396 ( 0.306 2.818 -3.804) 4.744 2.556 ( 3.388 -1.223 2.721) 4.514 2.719 ( -0.285 3.325 -0.290) 3.350 2.804 ( 0.374 1.839 -0.895) 2.080 2.810 ( -0.450 -2.063 0.328) 2.137 2.887 ( -0.586 2.118 0.222) 2.209 3.016 ( -0.391 -1.454 -2.610) 3.013 3.105 ( 0.475 2.472 2.892) 3.834 3.132 ( 1.372 -3.431 -0.419) 3.719 3.175 ( -4.696 0.617 -3.188) 5.709 3.215 ( 0.248 -1.549 -0.204) 1.582 3.328 ( -2.200 -1.819 1.545) 3.246 3.379 ( 0.001 -1.578 0.636) 1.701 3.404 ( 2.387 -0.153 2.153) 3.218 3.444 ( -1.231 -1.483 -2.897) 3.479 3.513 ( 2.002 -0.873 3.036) 3.741 3.589 ( 0.700 0.459 2.100) 2.260 3.681 ( 1.055 1.832 -0.754) 2.244 3.859 ( -0.477 -0.877 -2.208) 2.423 3.884 ( -1.898 0.038 1.859) 2.657 3.927 ( 2.739 -0.203 -0.227) 2.756 4.166 ( -1.148 1.690 1.408) 2.481 4.215 ( 3.870 2.061 -0.057) 4.385 4.365 ( 0.598 -3.536 2.576) 4.416 4.503 ( 1.556 -5.506 -0.639) 5.757 9.123 ( -3.596 0.403 0.112) 3.620 9.151 ( -1.436 -1.256 -0.247) 1.924 10.863 ( -34.854 5.974 6.546) 35.963 11.922 ( 5.382 8.205 -3.811) 10.526 12.396 ( 0.814 -0.175 0.801) 1.155 12.478 ( 1.493 -0.327 -0.835) 1.742 12.708 ( -1.893 0.306 0.193) 1.928 12.752 ( -0.523 0.052 -0.266) 0.589 14.275 ( -34.948 12.232 7.039) 37.690 15.109 ( -1.355 -0.238 -0.516) 1.469 15.142 ( -0.265 -0.732 -0.478) 0.914 15.959 ( 1.574 25.250 -11.661) 27.857 17.072 ( -0.201 0.730 -0.260) 0.801 17.135 ( 0.002 -0.501 0.431) 0.661 17.187 ( 6.487 2.384 1.026) 6.987 17.231 ( -0.567 0.629 -1.179) 1.451 17.276 ( -0.821 -0.598 -0.194) 1.034 17.321 ( 0.962 0.110 -0.719) 1.206 17.577 ( 1.245 -0.351 0.402) 1.354 17.625 ( 2.830 -0.396 -1.107) 3.064 20.108 ( -11.652 -0.589 0.827) 11.696 20.375 ( 1.693 2.908 1.524) 3.694 20.502 ( -3.237 -2.372 1.931) 4.454 22.369 ( 21.450 52.728 -24.367) 61.920 27.161 ( -0.116 -1.392 0.335) 1.437 27.191 ( 1.714 -1.679 -0.205) 2.408 27.432 ( -0.517 -0.002 -0.190) 0.551 27.490 ( 2.083 0.178 -0.814) 2.244 30.402 ( 1.170 -2.265 1.746) 3.090 30.641 ( 0.550 2.906 -3.900) 4.895 33.135 ( -0.748 1.286 7.027) 7.183 33.445 ( -1.117 4.527 2.156) 5.137 33.648 ( -0.642 0.611 8.441) 8.488 33.937 ( 0.648 -2.690 1.847) 3.327 34.113 ( -1.763 -2.171 -3.243) 4.282 34.195 ( 4.862 -8.090 -1.192) 9.514 34.439 ( -4.669 -8.585 2.634) 10.121 34.658 ( 5.142 -5.926 -0.050) 7.846 35.472 ( 0.345 0.256 5.632) 5.649 35.807 ( 2.525 -0.595 -4.119) 4.867 38.973 ( 0.287 -8.073 17.452) 19.231 39.995 ( 9.696 -27.604 -9.745) 30.838 45.380 ( -0.340 0.187 0.524) 0.652 45.458 ( 0.217 1.144 -1.498) 1.897 ======================= Grid point 137 (63/115) ======================= q-point: (-0.22 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -7.267 -13.380 4.562) 15.895 1.060 ( -1.138 -4.122 -0.630) 4.322 1.183 ( -11.911 -2.082 2.542) 12.356 1.300 ( -11.361 -12.273 -0.824) 16.745 1.498 ( -1.136 0.578 0.294) 1.308 1.542 ( -0.960 -0.165 -4.216) 4.327 1.670 ( 9.650 -2.821 -3.460) 10.633 1.711 ( 3.122 -2.587 -2.466) 4.746 1.839 ( 6.094 -1.882 -0.148) 6.379 1.933 ( -0.273 -0.194 -4.437) 4.449 2.014 ( 0.387 -1.422 2.184) 2.635 2.104 ( -0.988 1.579 -0.812) 2.032 2.203 ( 1.173 -2.689 0.937) 3.080 2.308 ( 3.481 2.157 -3.260) 5.234 2.332 ( 1.203 3.079 -3.029) 4.484 2.350 ( 1.195 -2.067 0.345) 2.412 2.546 ( -3.863 -0.008 3.204) 5.019 2.619 ( -1.366 6.112 0.008) 6.263 2.776 ( -1.660 3.628 -1.793) 4.374 2.802 ( 0.331 -0.685 2.037) 2.174 2.925 ( 4.720 -0.289 2.450) 5.326 3.057 ( 0.217 -3.099 -3.564) 4.728 3.080 ( 1.187 0.147 4.334) 4.496 3.092 ( -5.661 0.148 0.234) 5.668 3.226 ( -1.953 -3.165 -1.300) 3.940 3.238 ( 4.156 0.830 -2.621) 4.983 3.347 ( 0.170 -0.830 0.826) 1.183 3.393 ( 0.203 -0.208 0.444) 0.531 3.415 ( 2.117 0.802 -2.674) 3.504 3.487 ( 0.255 -2.084 0.950) 2.304 3.533 ( 3.288 1.032 0.393) 3.469 3.575 ( -2.348 -1.258 2.231) 3.475 3.686 ( 0.654 -0.829 0.415) 1.134 3.843 ( 0.238 1.463 1.925) 2.429 3.911 ( -1.181 -2.712 -0.211) 2.966 3.974 ( 2.621 -2.692 -1.249) 3.960 4.128 ( -0.464 1.139 1.617) 2.032 4.225 ( 2.716 -0.189 0.054) 2.723 4.463 ( 1.992 -3.992 2.605) 5.166 4.593 ( 1.862 -3.271 -0.604) 3.812 9.080 ( -4.978 0.675 0.307) 5.033 9.168 ( -2.243 -1.927 0.064) 2.957 10.311 ( -58.102 16.193 0.388) 60.317 11.752 ( 5.697 12.312 -1.994) 13.712 12.406 ( 0.865 -0.142 0.374) 0.953 12.499 ( 2.495 -0.557 -0.440) 2.593 12.678 ( -3.098 0.948 0.033) 3.240 12.751 ( -0.210 -0.222 -0.051) 0.309 13.779 ( -29.453 12.056 1.396) 31.855 15.095 ( -2.199 1.381 -2.780) 3.804 15.151 ( -1.174 -0.123 0.387) 1.242 15.395 ( -2.924 26.143 -6.107) 27.006 17.074 ( 0.528 -0.469 0.222) 0.740 17.138 ( 1.100 0.215 -0.434) 1.202 17.198 ( 2.308 0.673 2.120) 3.206 17.226 ( 3.783 0.376 -0.320) 3.815 17.286 ( -0.496 -0.814 -0.107) 0.959 17.319 ( 0.282 0.495 -0.902) 1.067 17.565 ( -0.846 0.821 -0.365) 1.234 17.673 ( 3.292 -1.517 0.080) 3.625 20.007 ( -12.019 2.373 -0.618) 12.267 20.340 ( 0.946 2.335 1.213) 2.796 20.469 ( -3.609 2.209 -0.605) 4.274 21.454 ( 5.506 44.482 -8.053) 45.539 27.168 ( -1.308 -0.405 0.020) 1.369 27.238 ( 1.247 -1.320 0.042) 1.816 27.428 ( -0.449 -0.216 0.259) 0.562 27.502 ( 1.214 -0.054 -0.813) 1.462 30.414 ( -0.751 1.603 0.616) 1.874 30.593 ( 1.869 2.079 -2.432) 3.706 33.124 ( -0.129 0.411 5.083) 5.102 33.358 ( -1.652 4.058 1.451) 4.616 33.625 ( -1.923 0.918 3.117) 3.776 33.986 ( 0.501 -0.586 -1.003) 1.266 34.152 ( -1.733 -3.325 -4.415) 5.793 34.297 ( 5.955 -0.383 0.810) 6.022 34.543 ( -6.743 -8.408 1.178) 10.842 34.941 ( 11.336 -11.613 0.134) 16.229 35.486 ( 1.043 -0.074 7.442) 7.515 35.832 ( 3.564 -0.378 -4.175) 5.503 39.198 ( -3.612 -13.724 16.346) 21.647 40.651 ( 21.694 -26.287 -14.718) 37.125 45.373 ( -0.389 0.277 0.444) 0.652 45.429 ( -0.473 1.309 -1.129) 1.792 ======================= Grid point 138 (64/115) ======================= q-point: (-0.11 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -10.983 6.857 5.102) 13.916 1.128 ( -0.539 -13.344 2.277) 13.548 1.286 ( -6.141 -10.332 2.980) 12.383 1.358 ( -0.259 0.107 2.092) 2.110 1.491 ( 0.030 1.876 1.064) 2.157 1.600 ( -8.358 -9.036 -4.265) 13.026 1.705 ( 2.523 0.191 -3.224) 4.098 1.792 ( 3.828 -2.390 -7.961) 9.151 1.872 ( 2.077 1.399 -1.854) 3.116 1.912 ( -1.103 -0.876 -1.017) 1.737 2.064 ( -0.415 -0.684 -0.083) 0.804 2.136 ( 3.778 -1.086 -4.183) 5.741 2.206 ( -0.272 -0.077 -1.748) 1.770 2.290 ( -0.405 -1.672 0.768) 1.884 2.336 ( 5.388 1.303 -2.136) 5.941 2.350 ( 3.948 3.089 -1.212) 5.157 2.513 ( -1.002 2.229 1.446) 2.840 2.548 ( -5.047 -1.843 3.609) 6.472 2.680 ( -0.602 4.653 -2.506) 5.319 2.820 ( -0.963 -0.284 2.438) 2.637 2.898 ( 2.861 4.407 0.750) 5.308 3.068 ( -2.172 1.108 1.501) 2.863 3.109 ( 2.673 -2.061 -1.605) 3.737 3.139 ( -2.713 -4.465 1.835) 5.537 3.226 ( 2.004 1.184 -1.590) 2.818 3.259 ( -1.624 -2.620 0.405) 3.109 3.373 ( 1.973 -0.012 -0.427) 2.018 3.385 ( 1.666 -0.014 -2.780) 3.241 3.431 ( 3.765 0.301 -2.864) 4.740 3.500 ( -0.720 -0.238 2.282) 2.405 3.546 ( 2.170 -0.066 -0.175) 2.178 3.605 ( -1.951 -1.461 2.058) 3.191 3.684 ( -0.798 0.641 1.366) 1.707 3.835 ( 1.370 0.616 3.155) 3.495 3.946 ( -1.129 -1.814 -0.943) 2.335 4.041 ( 1.426 -2.688 -1.537) 3.409 4.125 ( -0.335 -0.765 2.159) 2.315 4.256 ( 1.946 -0.912 0.413) 2.188 4.513 ( 0.765 0.281 1.175) 1.429 4.667 ( 1.850 -2.924 0.258) 3.470 9.038 ( -4.337 -0.393 -0.063) 4.355 9.188 ( -3.787 -2.545 0.761) 4.626 9.621 ( -42.962 11.800 0.004) 44.553 11.577 ( 3.692 9.480 -1.635) 10.304 12.413 ( 0.714 0.061 0.014) 0.717 12.533 ( 3.380 -0.787 -0.003) 3.470 12.630 ( -3.749 1.354 -0.000) 3.986 12.756 ( -0.187 -0.411 -0.090) 0.460 13.481 ( -12.797 3.901 0.053) 13.378 14.820 ( -9.278 15.520 -6.699) 19.283 15.139 ( -1.073 -0.578 2.941) 3.184 15.207 ( 0.110 0.032 -0.640) 0.651 17.085 ( -0.077 -0.355 0.662) 0.755 17.150 ( 0.716 -0.827 -1.454) 1.820 17.205 ( 0.784 -0.109 0.803) 1.128 17.257 ( 4.939 0.434 1.620) 5.216 17.294 ( -0.308 -0.232 -0.286) 0.480 17.304 ( -0.368 0.716 -0.583) 0.994 17.546 ( -0.670 0.405 -0.268) 0.828 17.717 ( 1.780 -0.998 0.150) 2.047 19.866 ( -8.343 3.629 0.781) 9.131 20.304 ( -0.246 1.843 0.954) 2.089 20.412 ( -0.867 1.655 -0.767) 2.019 20.848 ( -0.119 22.344 -3.298) 22.586 27.165 ( -1.068 -0.220 0.042) 1.091 27.255 ( 0.036 -0.162 0.091) 0.189 27.435 ( -0.093 -0.547 0.494) 0.743 27.504 ( 0.361 0.192 -0.699) 0.810 30.364 ( -0.734 2.328 0.407) 2.474 30.574 ( 1.719 1.314 -1.360) 2.556 33.135 ( 0.410 -0.653 3.608) 3.689 33.274 ( -1.572 3.832 0.742) 4.208 33.618 ( -1.083 -1.373 0.572) 1.840 33.931 ( 0.132 5.691 -3.574) 6.722 34.181 ( -1.890 -2.059 -3.278) 4.308 34.380 ( 5.651 -2.986 4.473) 7.801 34.655 ( -5.680 -7.686 0.241) 9.560 35.147 ( 6.413 -3.960 -4.276) 8.665 35.510 ( 0.540 0.012 8.166) 8.184 35.860 ( 3.851 -0.344 -2.714) 4.724 39.453 ( -4.297 -12.666 15.862) 20.748 41.111 ( 17.820 -9.956 -18.860) 27.791 45.366 ( -0.326 0.224 0.358) 0.533 45.405 ( -0.599 0.648 -0.701) 1.127 ======================= Grid point 145 (65/115) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -13.461 -0.000 -7.018) 15.180 0.738 ( -17.809 -0.000 -21.121) 27.627 1.002 ( -1.050 -0.000 10.592) 10.643 1.203 ( 4.126 0.000 0.454) 4.151 1.490 ( -8.864 -0.000 2.825) 9.303 1.548 ( -2.051 -0.000 -0.180) 2.059 1.605 ( 10.435 0.000 -5.648) 11.866 1.637 ( 8.204 0.000 -3.990) 9.123 1.931 ( 1.397 0.000 5.950) 6.111 1.968 ( -2.474 -0.000 0.316) 2.494 1.988 ( 9.706 0.000 7.345) 12.172 2.097 ( 0.927 0.000 1.794) 2.019 2.132 ( -3.098 -0.000 -8.107) 8.678 2.221 ( 2.996 0.000 4.676) 5.553 2.378 ( 0.766 0.000 -0.747) 1.070 2.409 ( -1.543 -0.000 -4.033) 4.318 2.583 ( 5.159 0.000 -0.790) 5.219 2.740 ( -3.798 -0.000 -1.943) 4.267 2.778 ( -1.770 -0.000 -1.513) 2.328 2.799 ( -2.154 -0.000 1.348) 2.541 2.902 ( -4.384 -0.000 -1.577) 4.659 3.016 ( 2.580 0.000 -4.125) 4.865 3.064 ( 4.121 0.000 -1.459) 4.372 3.139 ( -3.163 -0.000 -5.220) 6.104 3.149 ( -3.282 -0.000 2.062) 3.876 3.223 ( 2.262 0.000 4.550) 5.081 3.262 ( -5.171 -0.000 0.987) 5.264 3.376 ( 2.594 0.000 1.251) 2.880 3.413 ( -1.602 -0.000 -2.626) 3.076 3.441 ( 2.386 0.000 3.558) 4.284 3.516 ( 2.665 0.000 2.588) 3.714 3.604 ( 1.151 0.000 3.092) 3.299 3.735 ( 3.956 0.000 -0.102) 3.957 3.829 ( -1.528 -0.000 -2.674) 3.080 3.880 ( -1.479 -0.000 -0.171) 1.489 3.949 ( 1.851 0.000 1.142) 2.175 4.191 ( 0.349 0.000 4.189) 4.203 4.241 ( 0.517 0.000 0.009) 0.518 4.381 ( 2.220 0.000 0.889) 2.391 4.422 ( 2.311 0.000 -0.004) 2.311 9.109 ( -3.336 -0.000 -0.283) 3.348 9.112 ( -3.304 -0.000 -0.072) 3.305 10.660 ( -44.576 -0.000 7.202) 45.154 12.029 ( 5.039 0.000 -4.559) 6.795 12.406 ( 1.684 0.000 0.970) 1.943 12.484 ( 1.875 0.000 -0.972) 2.112 12.698 ( -2.049 -0.000 0.346) 2.078 12.743 ( -1.469 -0.000 -0.382) 1.518 14.146 ( -37.305 -0.000 5.946) 37.776 15.096 ( -1.535 -0.000 -0.490) 1.611 15.130 ( -0.817 -0.000 -0.615) 1.023 16.186 ( -2.960 -0.000 -16.119) 16.388 17.079 ( -0.421 -0.000 -0.843) 0.943 17.124 ( -0.064 -0.000 0.065) 0.091 17.246 ( 1.475 0.000 -0.711) 1.637 17.252 ( 4.170 0.000 2.568) 4.897 17.261 ( -1.131 -0.000 -0.449) 1.217 17.325 ( 0.186 0.000 -0.843) 0.863 17.600 ( 4.160 0.000 1.349) 4.374 17.639 ( 2.881 0.000 -3.137) 4.259 20.008 ( -12.776 -0.000 1.555) 12.870 20.441 ( 1.426 0.000 -2.141) 2.572 20.443 ( -1.619 -0.000 5.725) 5.949 23.080 ( 21.402 0.000 -47.087) 51.723 27.155 ( 1.895 0.000 1.122) 2.202 27.182 ( 1.088 0.000 -0.819) 1.362 27.430 ( -0.060 -0.000 -0.159) 0.170 27.508 ( 2.093 0.000 -2.101) 2.966 30.386 ( 1.808 0.000 3.022) 3.522 30.669 ( 0.611 0.000 -4.922) 4.960 33.158 ( -0.863 -0.000 7.076) 7.128 33.508 ( 0.067 0.000 -2.339) 2.339 33.714 ( 4.429 0.000 23.465) 23.880 33.932 ( 2.796 0.000 4.785) 5.542 34.012 ( -3.908 -0.000 -2.449) 4.612 34.104 ( -0.349 -0.000 -1.875) 1.907 34.318 ( -3.012 -0.000 3.439) 4.572 34.628 ( 1.443 0.000 -2.330) 2.741 35.491 ( 1.205 0.000 7.051) 7.153 35.817 ( 3.818 0.000 -3.985) 5.519 38.979 ( 6.543 0.000 22.359) 23.296 39.686 ( 1.705 0.000 -9.214) 9.370 45.380 ( -0.458 -0.000 0.538) 0.706 45.469 ( 0.230 0.000 -2.183) 2.195 ======================= Grid point 146 (66/115) ======================= q-point: (-0.22 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( -11.560 -11.124 -1.494) 16.113 0.848 ( -13.081 -19.264 -15.076) 27.740 0.983 ( -6.124 -0.935 13.758) 15.089 1.193 ( -3.721 3.989 3.972) 6.748 1.464 ( -3.574 -1.034 0.482) 3.752 1.545 ( -0.798 -0.853 -0.758) 1.393 1.678 ( 9.453 -1.643 -7.199) 11.995 1.731 ( 10.587 -2.137 0.261) 10.803 1.898 ( 4.565 2.497 0.418) 5.220 1.921 ( -3.692 2.021 -4.361) 6.061 2.063 ( 0.876 3.545 0.672) 3.713 2.116 ( 4.912 -0.868 3.489) 6.087 2.146 ( 1.836 -3.773 1.070) 4.331 2.285 ( 2.497 -4.023 2.222) 5.231 2.357 ( -0.671 2.287 -1.583) 2.862 2.378 ( -0.299 0.950 -3.692) 3.824 2.560 ( -3.250 3.257 0.557) 4.635 2.687 ( -3.595 2.444 -2.215) 4.879 2.778 ( -3.348 -2.837 1.461) 4.625 2.782 ( -1.151 0.828 -4.015) 4.258 2.906 ( 0.077 -2.708 0.100) 2.710 3.013 ( 0.935 -0.161 0.070) 0.952 3.072 ( -4.597 2.693 -3.509) 6.380 3.134 ( 1.747 -1.774 -1.621) 2.971 3.179 ( 4.022 -0.986 0.495) 4.170 3.221 ( 1.066 -3.039 -1.852) 3.715 3.300 ( -1.301 -3.185 3.093) 4.626 3.389 ( 0.615 0.365 0.565) 0.911 3.409 ( -0.408 -0.882 -2.836) 2.998 3.478 ( 4.471 -0.964 3.234) 5.602 3.541 ( -0.087 -1.011 2.498) 2.697 3.636 ( 4.447 1.610 3.223) 5.723 3.688 ( -0.208 2.901 -0.784) 3.012 3.850 ( -1.274 0.025 1.130) 1.703 3.863 ( -0.613 -1.397 0.246) 1.545 3.959 ( 1.663 -0.669 -0.521) 1.867 4.162 ( -0.342 2.069 2.611) 3.349 4.269 ( 3.434 1.475 0.349) 3.753 4.400 ( 3.258 -4.177 2.479) 5.849 4.524 ( 1.303 -5.077 -0.198) 5.245 9.062 ( -4.649 1.131 0.252) 4.791 9.111 ( -3.696 -1.608 -0.228) 4.037 10.155 ( -62.703 13.238 2.854) 64.149 11.972 ( 2.781 8.324 -4.808) 10.007 12.419 ( 2.039 0.234 0.735) 2.180 12.505 ( 2.501 -0.634 -0.759) 2.689 12.673 ( -2.938 0.843 0.239) 3.066 12.737 ( -1.478 -0.571 -0.182) 1.595 13.779 ( -30.777 10.250 2.130) 32.509 15.082 ( -1.824 0.005 -1.195) 2.180 15.130 ( -1.137 -0.758 -0.396) 1.422 15.798 ( -18.865 27.041 -17.778) 37.458 17.075 ( 0.583 0.049 -0.198) 0.618 17.132 ( -0.380 -0.596 -0.548) 0.894 17.223 ( 0.155 1.524 0.905) 1.779 17.263 ( -0.475 -0.824 -0.266) 0.988 17.297 ( 6.250 0.410 1.878) 6.538 17.323 ( -0.205 0.083 -0.645) 0.681 17.601 ( 2.679 2.372 -0.971) 3.707 17.673 ( 3.473 -1.178 -0.464) 3.696 19.931 ( -11.862 -0.675 -0.268) 11.884 20.396 ( 0.302 2.683 1.750) 3.218 20.467 ( -1.729 -0.095 -0.111) 1.735 22.397 ( -7.629 57.146 -37.024) 68.518 27.164 ( 0.593 0.361 -0.077) 0.698 27.215 ( 1.383 -1.920 0.023) 2.367 27.424 ( -0.482 0.249 0.039) 0.544 27.513 ( 1.482 0.314 -2.084) 2.576 30.425 ( 1.073 -0.793 1.526) 2.027 30.639 ( 0.954 2.137 -3.657) 4.341 33.147 ( -0.719 1.150 5.971) 6.123 33.438 ( -0.870 5.296 2.020) 5.735 33.656 ( -2.488 4.356 9.779) 10.990 33.960 ( 1.965 -2.159 0.374) 2.944 34.083 ( -0.741 -2.090 -3.391) 4.052 34.265 ( 3.155 -8.716 -2.986) 9.738 34.397 ( -0.746 -4.638 6.524) 8.039 34.768 ( 9.773 -14.502 1.083) 17.521 35.514 ( 2.467 0.360 9.272) 9.601 35.851 ( 5.285 -0.614 -3.991) 6.651 39.032 ( -1.060 -2.608 19.495) 19.697 40.193 ( 23.501 -38.407 -11.584) 46.492 45.375 ( -0.499 0.173 0.482) 0.715 45.449 ( -0.721 1.424 -2.217) 2.732 ======================= Grid point 147 (67/115) ======================= q-point: (-0.11 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -2.846 -17.279 6.596) 18.713 1.003 ( -11.690 5.753 4.089) 13.656 1.044 ( -3.467 -8.909 7.962) 12.442 1.127 ( -8.997 -16.332 -4.651) 19.218 1.450 ( -4.489 -0.315 0.975) 4.604 1.567 ( 5.775 0.313 -5.807) 8.196 1.729 ( -0.484 3.053 -1.494) 3.433 1.791 ( 8.145 -0.898 -3.921) 9.085 1.902 ( 2.593 -1.473 -5.726) 6.456 1.934 ( 1.995 -0.074 -0.458) 2.048 2.024 ( 0.136 -1.429 1.177) 1.856 2.092 ( 1.293 1.687 -1.778) 2.771 2.231 ( 1.287 -0.633 0.861) 1.672 2.292 ( -2.430 1.532 0.232) 2.883 2.379 ( 4.845 -0.537 -2.671) 5.559 2.394 ( 4.036 -2.004 -0.368) 4.521 2.494 ( -4.127 0.362 3.563) 5.464 2.588 ( -2.401 5.122 -1.573) 5.871 2.744 ( -2.509 2.123 -2.244) 3.979 2.801 ( -1.210 -1.071 3.170) 3.558 2.937 ( -1.662 0.316 -5.449) 5.706 3.009 ( -4.530 -2.457 0.608) 5.189 3.049 ( -0.105 -2.382 1.673) 2.913 3.158 ( 2.597 0.286 0.126) 2.616 3.211 ( 3.232 -0.049 2.028) 3.816 3.288 ( 3.242 0.773 -4.299) 5.439 3.352 ( 0.291 -3.218 0.985) 3.378 3.389 ( -0.568 -0.366 0.562) 0.879 3.425 ( 0.408 -1.024 -2.491) 2.724 3.514 ( 1.861 0.501 2.294) 2.996 3.555 ( -0.971 -1.008 1.358) 1.950 3.601 ( 4.977 2.927 0.633) 5.808 3.688 ( -0.475 -0.121 0.714) 0.866 3.840 ( -2.623 -0.788 4.373) 5.160 3.908 ( 1.658 -2.109 -0.997) 2.862 3.999 ( 1.254 -2.301 -1.662) 3.103 4.136 ( 0.553 1.027 2.711) 2.951 4.267 ( 3.098 0.710 -0.313) 3.193 4.512 ( 3.151 -2.479 2.052) 4.504 4.610 ( 0.220 -3.767 -0.159) 3.777 8.993 ( -8.361 0.806 0.012) 8.399 9.108 ( -5.924 -1.805 0.609) 6.223 9.486 ( -43.025 7.376 -0.748) 43.659 11.772 ( -2.785 11.055 -4.142) 12.130 12.428 ( 1.982 0.464 0.188) 2.044 12.541 ( 3.206 -0.999 -0.124) 3.361 12.628 ( -3.629 1.291 0.028) 3.852 12.739 ( -1.342 -0.756 -0.114) 1.545 13.459 ( -14.685 4.699 0.260) 15.421 14.961 ( -23.031 14.502 -11.551) 29.567 15.118 ( -3.279 0.042 1.775) 3.729 15.215 ( -10.537 4.532 -1.795) 11.610 17.079 ( -0.076 -0.148 0.420) 0.452 17.137 ( -0.149 -0.575 -1.668) 1.770 17.213 ( 0.753 0.252 0.967) 1.251 17.277 ( -0.255 -0.738 0.117) 0.790 17.311 ( -0.852 0.510 -0.944) 1.370 17.329 ( 5.731 1.417 2.269) 6.325 17.575 ( 2.769 2.023 -0.791) 3.520 17.713 ( 2.038 -0.840 0.038) 2.205 19.847 ( -9.083 1.067 0.021) 9.145 20.346 ( -0.622 2.717 1.139) 3.011 20.436 ( -0.821 1.619 -0.877) 2.016 21.324 ( -18.429 35.834 -13.536) 42.508 27.159 ( 0.166 0.223 -0.056) 0.283 27.246 ( -0.196 -0.708 0.072) 0.738 27.424 ( -0.182 -0.510 0.348) 0.643 27.511 ( 0.553 0.348 -1.438) 1.579 30.410 ( 0.128 2.285 0.815) 2.429 30.611 ( 1.399 1.596 -2.045) 2.947 33.140 ( -0.047 0.181 4.385) 4.389 33.341 ( -1.361 4.457 2.062) 5.096 33.603 ( -2.432 0.712 3.381) 4.226 33.993 ( 1.094 0.980 -1.948) 2.440 34.121 ( -0.664 -2.645 -3.761) 4.646 34.377 ( 2.579 -2.900 -1.808) 4.282 34.468 ( -2.680 -6.474 5.009) 8.613 35.088 ( 9.097 -8.077 -4.708) 13.044 35.541 ( 2.379 0.712 9.933) 10.239 35.893 ( 6.259 0.299 -3.228) 7.048 39.194 ( -4.655 -12.786 17.340) 22.041 40.981 ( 30.513 -20.650 -22.007) 42.916 45.368 ( -0.454 0.224 0.385) 0.636 45.411 ( -1.426 1.034 -1.281) 2.178 ======================= Grid point 155 (68/115) ======================= q-point: (-0.22 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -11.951 -0.000 0.076) 11.951 0.375 ( -21.174 -0.000 -18.606) 28.188 0.949 ( -13.988 -0.000 21.081) 25.299 1.241 ( -0.520 -0.000 5.143) 5.169 1.471 ( 6.081 0.000 0.011) 6.081 1.519 ( -0.475 -0.000 -2.113) 2.166 1.718 ( 7.491 0.000 -7.811) 10.822 1.775 ( 11.014 0.000 -3.047) 11.428 1.881 ( -6.978 -0.000 -6.707) 9.679 1.984 ( 2.966 0.000 4.816) 5.656 2.065 ( -0.154 -0.000 1.703) 1.710 2.147 ( 6.565 0.000 -1.837) 6.817 2.192 ( 8.215 0.000 5.735) 10.019 2.279 ( 3.557 0.000 2.780) 4.515 2.355 ( -3.305 -0.000 -4.819) 5.844 2.375 ( -0.858 -0.000 -0.783) 1.162 2.611 ( -0.043 -0.000 -5.925) 5.925 2.642 ( -12.271 -0.000 -0.050) 12.271 2.659 ( -5.096 -0.000 -3.796) 6.354 2.814 ( 1.304 0.000 -5.161) 5.323 2.853 ( -2.173 -0.000 -0.112) 2.176 3.027 ( -0.454 -0.000 0.561) 0.722 3.068 ( -2.284 -0.000 -6.506) 6.895 3.124 ( 4.635 0.000 -3.044) 5.545 3.138 ( -0.271 -0.000 -1.001) 1.037 3.227 ( 0.771 0.000 2.426) 2.546 3.279 ( 3.089 0.000 5.572) 6.371 3.381 ( -1.397 -0.000 -3.050) 3.355 3.427 ( 3.731 0.000 0.889) 3.835 3.495 ( 2.904 0.000 4.780) 5.593 3.555 ( 1.929 0.000 1.701) 2.572 3.633 ( 1.374 0.000 4.291) 4.506 3.788 ( -3.101 -0.000 -2.037) 3.710 3.807 ( 4.693 0.000 2.440) 5.290 3.854 ( -1.848 -0.000 -0.009) 1.848 3.974 ( 0.857 0.000 0.858) 1.213 4.212 ( 0.932 0.000 6.002) 6.074 4.260 ( 1.362 0.000 2.741) 3.060 4.423 ( 3.223 0.000 -0.074) 3.224 4.457 ( 2.098 0.000 0.410) 2.138 9.055 ( -3.664 -0.000 -0.230) 3.671 9.057 ( -3.923 -0.000 0.096) 3.924 9.829 ( -68.442 -0.000 2.964) 68.506 12.065 ( 1.670 0.000 -9.306) 9.455 12.443 ( 2.857 0.000 1.050) 3.044 12.514 ( 2.667 0.000 -1.041) 2.863 12.663 ( -2.944 -0.000 0.517) 2.989 12.714 ( -2.310 -0.000 -0.276) 2.327 13.677 ( -25.925 -0.000 1.256) 25.956 15.068 ( -1.921 -0.000 -1.330) 2.336 15.111 ( -1.366 -0.000 -0.585) 1.486 15.937 ( -23.317 -0.000 -39.483) 45.854 17.079 ( 0.680 0.000 -0.598) 0.906 17.122 ( -0.186 -0.000 -0.362) 0.407 17.237 ( -1.156 -0.000 -1.076) 1.579 17.271 ( 1.630 0.000 0.446) 1.690 17.318 ( -0.352 -0.000 -1.391) 1.435 17.325 ( 3.640 0.000 4.488) 5.779 17.661 ( 3.338 0.000 0.979) 3.479 17.680 ( 3.923 0.000 -2.929) 4.896 19.837 ( -10.106 -0.000 -0.165) 10.107 20.431 ( -1.914 -0.000 3.513) 4.000 20.454 ( 1.324 0.000 -1.689) 2.146 22.915 ( -20.540 -0.000 -96.094) 98.265 27.185 ( 1.662 0.000 0.985) 1.931 27.198 ( 1.406 0.000 -0.869) 1.653 27.429 ( -0.059 -0.000 -0.149) 0.160 27.518 ( 0.371 0.000 -4.811) 4.825 30.424 ( 1.817 0.000 2.918) 3.438 30.661 ( 0.629 0.000 -4.524) 4.568 33.163 ( -1.281 -0.000 5.149) 5.306 33.496 ( -0.517 -0.000 -2.726) 2.775 33.858 ( 4.498 0.000 10.740) 11.644 33.954 ( -2.394 -0.000 -2.700) 3.608 34.040 ( 6.764 0.000 11.417) 13.270 34.092 ( -0.636 -0.000 -0.931) 1.128 34.336 ( 5.151 0.000 17.891) 18.618 34.646 ( 1.687 0.000 -1.244) 2.095 35.570 ( 6.210 0.000 13.492) 14.853 35.871 ( 5.055 0.000 -3.521) 6.161 39.208 ( 13.833 0.000 27.858) 31.103 39.693 ( 3.458 0.000 -9.245) 9.870 45.374 ( -0.528 -0.000 0.461) 0.701 45.454 ( -1.197 -0.000 -3.782) 3.967 ======================= Grid point 156 (69/115) ======================= q-point: (-0.11 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( -0.902 -19.878 5.944) 20.768 0.623 ( -11.180 -21.357 -6.741) 25.031 0.907 ( -11.265 -3.559 23.847) 26.613 1.160 ( -3.090 7.092 5.491) 9.487 1.438 ( -1.707 3.516 0.211) 3.914 1.578 ( 7.121 -2.198 -6.177) 9.680 1.758 ( 2.982 -0.296 -7.252) 7.846 1.831 ( -2.468 -1.743 -7.578) 8.158 1.882 ( 9.117 -0.910 2.005) 9.379 1.948 ( 1.380 3.158 0.357) 3.465 2.063 ( -0.883 2.149 -0.584) 2.396 2.170 ( 1.131 3.017 -1.847) 3.714 2.224 ( 4.278 1.566 5.436) 7.093 2.311 ( 0.856 1.106 -5.035) 5.226 2.353 ( 3.173 -4.123 1.568) 5.434 2.371 ( -0.425 -1.823 0.846) 2.054 2.490 ( -5.504 1.553 1.336) 5.873 2.617 ( -3.936 0.876 -3.819) 5.554 2.696 ( -5.814 -3.851 -3.569) 7.834 2.783 ( 0.448 0.401 -0.950) 1.124 2.877 ( -2.272 -2.592 -3.951) 5.243 3.002 ( -2.127 2.140 -2.338) 3.817 3.041 ( 1.407 0.400 -0.547) 1.561 3.142 ( 1.217 -0.987 -2.253) 2.745 3.225 ( 0.715 -5.657 -4.676) 7.374 3.271 ( 5.413 -1.694 2.423) 6.168 3.314 ( 1.717 -0.278 3.982) 4.345 3.379 ( -0.411 -1.296 -3.198) 3.475 3.428 ( 2.989 1.814 -0.356) 3.514 3.539 ( -1.097 -0.332 3.362) 3.552 3.556 ( 3.654 0.723 3.576) 5.164 3.664 ( -2.056 1.626 -1.226) 2.893 3.722 ( 4.888 0.312 5.205) 7.148 3.819 ( -2.610 1.749 2.580) 4.065 3.881 ( 1.943 -2.225 0.977) 3.112 3.970 ( 0.241 -0.752 -0.810) 1.131 4.175 ( 0.652 2.525 4.274) 5.007 4.322 ( 3.819 1.149 0.881) 4.085 4.474 ( 5.021 -4.625 2.947) 7.436 4.534 ( -0.051 -4.177 -0.028) 4.177 8.961 ( -15.018 5.255 0.158) 15.911 9.045 ( -4.829 -0.749 0.105) 4.888 9.268 ( -42.525 2.530 -0.654) 42.605 11.918 ( -10.338 10.371 -13.252) 19.750 12.459 ( 3.020 0.711 0.659) 3.172 12.544 ( 3.099 -0.978 -0.544) 3.295 12.626 ( -3.619 1.223 0.316) 3.833 12.709 ( -2.250 -1.017 -0.196) 2.477 13.447 ( -15.273 5.555 -0.034) 16.252 15.006 ( -19.609 9.408 -16.750) 27.451 15.106 ( -2.524 0.444 -0.654) 2.645 15.223 ( -40.426 18.466 -20.277) 48.851 17.082 ( 0.209 0.238 0.023) 0.317 17.123 ( -0.301 -0.354 -1.488) 1.559 17.227 ( 0.143 0.432 0.083) 0.463 17.266 ( 0.671 -0.028 1.301) 1.464 17.308 ( -1.114 0.262 -0.878) 1.443 17.378 ( 3.271 -0.384 1.768) 3.738 17.649 ( 3.895 2.704 -0.497) 4.768 17.716 ( 2.579 -0.654 -0.373) 2.687 19.783 ( -7.786 -0.773 -0.448) 7.838 20.393 ( -1.435 2.605 1.739) 3.445 20.455 ( 0.350 0.805 -1.131) 1.432 21.785 ( -55.489 43.924 -56.433) 90.515 27.178 ( 1.361 1.105 -0.112) 1.757 27.228 ( 0.246 -1.126 0.034) 1.153 27.418 ( -0.390 0.198 0.256) 0.507 27.514 ( -0.126 -0.229 -3.546) 3.555 30.442 ( 0.575 0.561 1.743) 1.919 30.645 ( 1.319 1.298 -2.895) 3.436 33.152 ( -0.937 0.609 4.557) 4.692 33.433 ( -0.401 5.290 0.923) 5.385 33.644 ( -3.650 7.173 10.717) 13.402 33.996 ( 3.053 -1.598 -1.269) 3.672 34.069 ( 0.219 -1.703 -2.532) 3.060 34.230 ( -4.284 -7.044 -3.609) 9.000 34.476 ( 5.351 0.728 7.009) 8.848 34.936 ( 12.045 -16.675 -3.890) 20.935 35.619 ( 6.261 2.945 13.764) 15.405 35.936 ( 8.130 -1.412 -2.922) 8.754 39.061 ( -4.753 2.777 20.538) 21.263 40.607 ( 39.365 -46.780 -26.155) 66.498 45.369 ( -0.486 0.154 0.378) 0.634 45.416 ( -2.629 1.284 -2.744) 4.011 ======================= Grid point 165 (70/115) ======================= q-point: (-0.11 -0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.161 ( 7.665 0.000 18.735) 20.243 0.281 ( -1.707 -0.000 14.613) 14.713 0.803 ( -15.590 -0.000 30.892) 34.603 1.221 ( -4.893 -0.000 7.667) 9.095 1.521 ( 1.527 0.000 -3.911) 4.198 1.584 ( 6.118 0.000 -6.407) 8.859 1.739 ( -1.170 -0.000 -7.720) 7.809 1.798 ( 1.808 0.000 -3.443) 3.889 1.899 ( 5.701 0.000 -2.561) 6.250 2.051 ( -1.884 -0.000 0.722) 2.018 2.054 ( 4.550 0.000 2.815) 5.350 2.255 ( -0.598 -0.000 -1.989) 2.077 2.256 ( 6.669 0.000 -2.325) 7.063 2.310 ( 0.180 0.000 2.503) 2.509 2.345 ( -2.523 -0.000 0.354) 2.548 2.368 ( 2.934 0.000 -0.373) 2.958 2.475 ( -6.178 -0.000 -0.748) 6.223 2.522 ( -9.916 -0.000 -8.263) 12.907 2.589 ( -2.159 -0.000 -3.762) 4.338 2.799 ( 0.121 0.000 -8.960) 8.960 2.828 ( -1.696 -0.000 0.556) 1.785 3.001 ( -1.520 -0.000 -1.489) 2.128 3.058 ( 2.277 0.000 -4.014) 4.615 3.119 ( -1.374 -0.000 -1.760) 2.233 3.174 ( 3.929 0.000 -3.644) 5.359 3.278 ( 3.384 0.000 2.659) 4.303 3.347 ( 1.082 0.000 0.492) 1.188 3.362 ( 3.219 0.000 1.109) 3.405 3.482 ( 2.920 0.000 0.570) 2.975 3.542 ( 0.494 0.000 4.772) 4.798 3.596 ( 3.042 0.000 1.844) 3.557 3.679 ( 1.606 0.000 -1.290) 2.060 3.739 ( -0.518 -0.000 6.311) 6.332 3.838 ( 0.112 0.000 0.016) 0.113 3.872 ( 2.175 0.000 3.674) 4.269 3.974 ( -1.121 -0.000 0.377) 1.183 4.294 ( 0.698 0.000 6.644) 6.681 4.309 ( 12.411 0.000 10.510) 16.263 4.467 ( 2.569 0.000 -0.526) 2.623 4.481 ( 0.989 0.000 0.827) 1.289 8.886 ( -50.513 -0.000 0.102) 50.513 9.009 ( -2.294 -0.000 -0.137) 2.298 9.009 ( -3.188 -0.000 -0.066) 3.189 11.851 ( -39.939 -0.000 -40.573) 56.932 12.494 ( 3.463 0.000 1.135) 3.645 12.554 ( 3.145 0.000 -0.993) 3.298 12.617 ( -3.614 -0.000 0.505) 3.649 12.675 ( -2.811 -0.000 -0.318) 2.828 13.416 ( -10.618 -0.000 -0.878) 10.654 14.797 ( -97.530 -0.000 -83.742) 128.549 15.092 ( -0.836 -0.000 -0.484) 0.966 15.101 ( -17.820 -0.000 -10.178) 20.522 17.090 ( 0.797 0.000 -0.304) 0.853 17.113 ( -0.814 -0.000 -0.492) 0.951 17.225 ( -0.020 -0.000 -0.586) 0.587 17.281 ( -0.697 -0.000 0.157) 0.715 17.320 ( 1.497 0.000 -0.619) 1.620 17.379 ( 1.620 0.000 1.332) 2.098 17.701 ( 1.678 0.000 0.754) 1.840 17.728 ( 3.529 0.000 -1.360) 3.782 19.728 ( -4.243 -0.000 -0.794) 4.316 20.414 ( -1.675 -0.000 2.282) 2.830 20.468 ( 1.220 0.000 -1.173) 1.692 21.496 (-122.582 -0.000 -122.209) 173.094 27.206 ( 0.687 0.000 0.660) 0.952 27.215 ( 1.196 0.000 -0.566) 1.323 27.428 ( -0.027 -0.000 -0.109) 0.112 27.477 ( -3.388 -0.000 -4.560) 5.681 30.453 ( 0.787 0.000 2.690) 2.802 30.663 ( 1.368 0.000 -3.003) 3.300 33.157 ( -1.523 -0.000 4.012) 4.292 33.478 ( -0.424 -0.000 -3.178) 3.207 33.909 ( 0.355 0.000 0.753) 0.833 33.929 ( -0.079 -0.000 -1.876) 1.878 34.081 ( -0.533 -0.000 -0.351) 0.638 34.083 ( -1.420 -0.000 0.247) 1.441 34.632 ( 17.799 0.000 15.486) 23.592 34.667 ( 1.371 0.000 -0.024) 1.372 35.808 ( 18.305 0.000 15.710) 24.123 35.933 ( 4.432 0.000 -2.205) 4.950 39.515 ( 10.428 0.000 10.819) 15.026 39.723 ( 4.463 0.000 -7.962) 9.127 45.368 ( -0.439 -0.000 0.317) 0.541 45.400 ( -3.996 -0.000 -3.689) 5.439 ======================= Grid point 166 (71/115) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 8.650 0.000 17.967) 19.941 0.890 ( 8.131 0.000 17.063) 18.902 1.206 ( -4.599 -0.000 -13.930) 14.670 1.289 ( -7.176 -0.000 -10.391) 12.628 1.356 ( -8.014 -0.000 7.603) 11.046 1.479 ( -0.957 -0.000 29.110) 29.125 1.604 ( 6.997 0.000 -7.809) 10.485 1.886 ( 4.168 0.000 2.704) 4.968 1.897 ( 4.301 0.000 0.325) 4.313 1.983 ( -12.249 -0.000 -3.361) 12.702 1.984 ( -2.516 -0.000 -2.836) 3.791 2.062 ( -1.944 -0.000 -18.711) 18.811 2.200 ( 4.629 0.000 2.787) 5.403 2.267 ( -6.986 -0.000 -2.362) 7.375 2.326 ( 3.263 0.000 -0.506) 3.302 2.337 ( -5.051 -0.000 0.690) 5.098 2.483 ( 4.396 0.000 -2.902) 5.267 2.500 ( 4.885 0.000 -2.486) 5.481 2.527 ( 1.213 0.000 1.082) 1.626 2.561 ( -0.578 -0.000 -2.772) 2.832 2.854 ( -0.331 -0.000 3.052) 3.070 2.918 ( 0.753 0.000 -3.070) 3.162 3.099 ( 0.210 0.000 0.924) 0.948 3.138 ( 1.407 0.000 -3.046) 3.355 3.143 ( -1.494 -0.000 5.618) 5.814 3.259 ( 1.344 0.000 -5.179) 5.351 3.379 ( 0.572 0.000 3.344) 3.392 3.428 ( 0.646 0.000 -1.191) 1.355 3.516 ( -0.689 -0.000 1.188) 1.374 3.564 ( -0.618 -0.000 -3.298) 3.355 3.621 ( -2.178 -0.000 2.574) 3.372 3.656 ( 2.536 0.000 -0.752) 2.645 3.867 ( 2.801 0.000 1.608) 3.229 3.897 ( -2.275 -0.000 -1.034) 2.500 3.918 ( 2.778 0.000 1.909) 3.371 3.943 ( -2.753 -0.000 -0.397) 2.782 4.469 ( -0.596 -0.000 -0.158) 0.617 4.471 ( -0.639 -0.000 -0.200) 0.669 4.511 ( -5.861 -0.000 10.402) 11.940 4.704 ( 14.054 0.000 -8.067) 16.204 8.819 ( 39.077 0.000 11.836) 40.830 8.989 ( -0.053 -0.000 0.085) 0.100 8.991 ( 0.056 0.000 -0.088) 0.104 9.063 ( -76.728 -0.000 -11.474) 77.581 12.558 ( -3.448 -0.000 1.471) 3.749 12.582 ( 3.905 0.000 -0.829) 3.992 12.589 ( 2.765 0.000 0.812) 2.881 12.612 ( -3.235 -0.000 -1.358) 3.509 13.287 ( -6.535 -0.000 0.921) 6.599 13.312 ( 2.454 0.000 -1.493) 2.873 15.064 ( -0.511 -0.000 0.623) 0.806 15.077 ( 0.563 0.000 -0.579) 0.808 17.096 ( -0.990 -0.000 0.025) 0.991 17.097 ( 0.716 0.000 -0.059) 0.719 17.236 ( 1.365 0.000 0.400) 1.423 17.247 ( -1.480 -0.000 -0.737) 1.654 17.355 ( 2.187 0.000 0.360) 2.217 17.358 ( -2.987 -0.000 0.099) 2.989 17.727 ( -1.002 -0.000 0.873) 1.329 17.745 ( 1.183 0.000 -0.888) 1.479 19.730 ( 7.079 0.000 0.903) 7.137 19.750 ( -16.972 -0.000 -1.001) 17.001 20.436 ( -2.271 -0.000 1.906) 2.965 20.469 ( 2.497 0.000 -1.233) 2.785 27.215 ( -0.985 -0.000 0.398) 1.063 27.223 ( 0.979 0.000 -0.312) 1.028 27.422 ( -0.722 -0.000 0.144) 0.737 27.425 ( 0.156 0.000 -0.130) 0.202 30.530 ( -1.476 -0.000 3.967) 4.233 30.612 ( 1.813 0.000 -3.853) 4.259 33.249 ( -1.652 -0.000 5.890) 6.117 33.371 ( 1.122 0.000 -5.733) 5.841 33.886 ( -3.887 -0.000 1.198) 4.067 33.912 ( 2.630 0.000 -1.290) 2.930 34.071 ( -0.276 -0.000 0.136) 0.308 34.075 ( 0.374 0.000 -0.165) 0.409 34.709 ( 1.732 0.000 1.346) 2.194 34.735 ( -2.768 -0.000 -1.103) 2.979 35.943 ( -6.706 -0.000 0.825) 6.757 35.961 ( 4.083 0.000 -0.932) 4.188 39.405 ( -19.080 -0.000 9.737) 21.421 39.606 ( 9.647 0.000 -9.450) 13.504 45.368 ( -0.546 -0.000 0.234) 0.594 45.373 ( 1.176 0.000 -0.241) 1.201 ======================= Grid point 167 (72/115) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.025 8.759 14.047) 16.554 0.963 ( -4.600 9.180 2.619) 10.597 1.024 ( 0.848 -6.378 6.346) 9.037 1.294 ( -6.908 1.921 7.751) 10.558 1.327 ( 0.110 -6.113 -16.024) 17.151 1.511 ( 5.895 4.658 -0.995) 7.579 1.720 ( 6.084 -10.117 13.313) 17.794 1.777 ( -4.928 3.024 -5.013) 7.652 1.850 ( 2.143 1.102 3.001) 3.849 1.974 ( -0.333 0.560 -6.840) 6.871 2.030 ( 2.448 1.104 3.675) 4.552 2.123 ( -3.101 -6.440 -8.017) 10.740 2.218 ( -6.899 -0.540 0.986) 6.990 2.264 ( -2.455 -3.816 -1.664) 4.833 2.315 ( 0.260 1.539 -0.643) 1.688 2.390 ( 2.542 -4.367 0.954) 5.142 2.488 ( 0.708 0.980 -0.185) 1.223 2.505 ( 0.641 0.928 -0.029) 1.129 2.529 ( -1.917 0.370 -3.588) 4.085 2.595 ( 5.514 -2.257 -3.479) 6.899 2.854 ( -0.275 -0.008 2.163) 2.181 2.916 ( 1.821 0.000 -3.260) 3.734 3.118 ( -0.576 -1.030 0.389) 1.243 3.157 ( 1.748 -1.246 -2.429) 3.242 3.169 ( -1.213 -2.093 5.007) 5.561 3.285 ( 2.342 -1.930 -4.888) 5.754 3.377 ( -2.326 1.145 2.723) 3.760 3.420 ( -1.388 -0.726 -0.023) 1.566 3.511 ( -2.220 -0.214 -1.886) 2.920 3.522 ( 2.701 1.508 0.978) 3.244 3.615 ( -0.390 -0.048 0.938) 1.017 3.653 ( 1.984 1.276 -0.215) 2.369 3.800 ( -5.319 4.272 3.309) 7.582 3.902 ( 0.008 -0.519 -2.100) 2.164 3.963 ( -0.207 -2.059 1.240) 2.412 3.988 ( 2.101 -3.031 -0.249) 3.696 4.345 ( -6.837 6.357 3.035) 9.817 4.454 ( -3.231 3.509 -0.857) 4.846 4.504 ( 1.260 -2.000 0.548) 2.426 4.585 ( 3.333 9.123 -0.057) 9.713 8.911 ( -25.354 -10.964 -1.799) 27.681 9.018 ( 2.538 -1.909 0.530) 3.220 9.057 ( -10.659 -11.746 -0.184) 15.862 9.990 ( 87.863 -46.575 -1.159) 99.451 12.519 ( -3.515 1.144 0.556) 3.738 12.578 ( 4.014 1.932 0.038) 4.455 12.598 ( -3.645 -1.359 -0.428) 3.913 12.650 ( 3.557 -1.840 -0.204) 4.010 13.299 ( -0.399 -1.715 0.831) 1.947 13.480 ( 23.574 -9.731 -2.096) 25.589 15.076 ( -0.172 -1.201 0.600) 1.354 15.104 ( 2.009 -1.934 -0.714) 2.879 17.072 ( -1.043 1.187 0.373) 1.624 17.091 ( 0.647 0.814 -0.289) 1.079 17.238 ( -1.213 -0.111 -0.437) 1.294 17.250 ( 1.277 -0.202 0.286) 1.324 17.332 ( -3.370 0.081 1.038) 3.527 17.372 ( 1.269 -0.158 0.054) 1.280 17.707 ( -2.990 0.948 0.477) 3.173 17.742 ( 0.104 0.423 -0.650) 0.782 19.737 ( -4.631 -5.037 2.910) 7.435 19.952 ( 15.794 -11.844 -3.136) 19.989 20.415 ( -2.090 0.849 1.610) 2.772 20.477 ( 3.222 0.945 -1.117) 3.538 27.198 ( -2.144 0.773 0.237) 2.291 27.227 ( 1.239 0.159 -0.130) 1.256 27.424 ( -0.311 -0.655 0.703) 1.011 27.439 ( 0.048 -1.125 -0.806) 1.385 30.513 ( -2.329 1.049 3.486) 4.322 30.605 ( 1.549 1.214 -3.630) 4.129 33.241 ( -1.360 0.725 5.705) 5.910 33.359 ( 1.778 1.318 -5.248) 5.696 33.803 ( -3.278 4.354 7.320) 9.126 33.953 ( 2.735 -0.219 -5.693) 6.319 34.062 ( -3.103 -1.129 0.222) 3.309 34.110 ( 3.307 -2.389 0.074) 4.080 34.736 ( 0.243 -3.431 5.605) 6.577 34.802 ( -4.090 -7.066 -6.059) 10.168 35.834 ( -8.751 3.855 5.275) 10.921 35.966 ( 0.889 1.745 -2.876) 3.480 39.389 ( -12.700 -11.563 24.425) 29.859 39.937 ( 3.069 -23.918 -25.332) 34.974 45.365 ( -0.180 0.036 0.160) 0.244 45.380 ( 1.421 0.209 -0.541) 1.535 ======================= Grid point 168 (73/115) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -3.747 3.174 11.763) 12.747 0.902 ( 3.471 3.736 1.103) 5.218 1.172 ( -0.069 -8.150 2.975) 8.676 1.225 ( -3.348 0.575 11.384) 11.880 1.417 ( 4.453 -4.522 -16.758) 17.919 1.497 ( 6.116 0.618 -3.498) 7.073 1.748 ( -5.414 -3.604 -0.660) 6.537 1.851 ( 2.053 2.529 1.035) 3.418 1.920 ( 1.265 2.039 -4.247) 4.878 1.983 ( 5.044 2.119 0.591) 5.503 2.051 ( 3.280 -9.239 7.218) 12.174 2.118 ( -3.280 4.002 -4.823) 7.074 2.208 ( -2.304 -3.903 -2.025) 4.964 2.270 ( -1.470 0.159 0.770) 1.667 2.293 ( -4.534 -1.603 -0.262) 4.816 2.401 ( -2.391 2.504 2.454) 4.243 2.472 ( -0.158 1.815 1.885) 2.621 2.522 ( 1.689 -0.339 -0.783) 1.893 2.543 ( -3.467 -5.564 -4.286) 7.833 2.675 ( 4.873 -2.084 -0.725) 5.349 2.863 ( 0.162 0.052 1.947) 1.954 2.936 ( 2.224 -0.725 -2.029) 3.096 3.122 ( -0.145 -0.387 0.203) 0.461 3.179 ( 0.633 0.121 2.148) 2.242 3.206 ( -0.072 -2.180 0.316) 2.204 3.326 ( 2.216 -1.297 -4.595) 5.264 3.355 ( -4.042 -0.900 2.098) 4.642 3.440 ( -1.380 -0.835 1.907) 2.498 3.506 ( 2.140 2.122 -1.714) 3.467 3.522 ( 1.632 -0.249 -1.060) 1.961 3.608 ( -3.004 0.282 2.046) 3.646 3.646 ( 0.673 0.013 -0.276) 0.727 3.712 ( -1.802 0.728 1.723) 2.597 3.918 ( 1.114 -0.473 -2.883) 3.126 3.964 ( -0.617 2.633 1.605) 3.145 4.025 ( 0.257 -0.870 -0.539) 1.055 4.259 ( -0.820 0.606 1.615) 1.910 4.331 ( -2.294 5.113 -2.856) 6.290 4.484 ( -1.955 2.006 3.595) 4.558 4.587 ( 2.763 -3.261 -0.147) 4.276 8.948 ( -8.913 -6.119 0.030) 10.811 9.091 ( 4.047 -2.858 1.087) 5.072 9.223 ( -16.508 -15.125 0.596) 22.397 11.045 ( 50.058 -11.595 -2.973) 51.469 12.474 ( -2.559 1.248 -0.037) 2.847 12.572 ( 4.008 1.867 0.040) 4.422 12.597 ( -3.956 -1.491 -0.042) 4.228 12.703 ( 2.745 -1.388 -0.145) 3.080 13.336 ( 0.417 -2.088 0.399) 2.166 13.928 ( 42.619 -8.297 -3.149) 43.533 15.106 ( 0.156 -1.789 0.603) 1.894 15.166 ( 3.746 -2.277 -0.953) 4.486 17.056 ( -0.372 -0.149 0.793) 0.889 17.089 ( 0.787 -0.280 -0.642) 1.053 17.230 ( -0.669 0.259 -0.108) 0.725 17.260 ( 1.203 0.213 0.129) 1.228 17.308 ( -3.690 -0.129 0.981) 3.820 17.379 ( 0.815 0.464 0.371) 1.009 17.648 ( -5.303 1.789 -0.171) 5.599 17.736 ( 0.055 0.157 -0.213) 0.270 19.807 ( -1.561 -3.592 2.531) 4.663 20.239 ( 17.736 -2.838 -4.096) 18.423 20.386 ( -0.900 0.971 2.005) 2.403 20.485 ( 6.230 1.574 -1.273) 6.550 27.167 ( -2.365 0.459 0.193) 2.417 27.236 ( 1.623 0.024 0.010) 1.623 27.439 ( -0.253 -0.955 0.757) 1.245 27.459 ( 0.193 -0.901 -0.997) 1.358 30.465 ( -3.418 2.267 1.906) 4.523 30.584 ( 1.949 1.710 -2.341) 3.493 33.222 ( -1.469 1.098 4.829) 5.165 33.330 ( 1.841 2.402 -3.851) 4.897 33.725 ( -1.734 3.196 8.578) 9.317 33.905 ( 2.577 5.484 -7.764) 9.849 34.093 ( -3.631 -4.217 -1.115) 5.675 34.212 ( 5.277 -4.863 1.647) 7.363 34.819 ( -3.413 -4.515 4.100) 6.989 34.901 ( -2.192 -7.087 -5.264) 9.096 35.719 ( -8.321 2.494 6.118) 10.625 35.921 ( 0.308 2.448 -3.183) 4.027 39.655 ( -9.879 -17.979 30.551) 36.800 40.316 ( 0.892 -18.980 -32.784) 37.892 45.365 ( 0.153 -0.012 0.266) 0.307 45.384 ( 1.115 0.287 -0.617) 1.306 ======================= Grid point 169 (74/115) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 6.423 -8.010 5.268) 11.540 0.881 ( 5.240 -1.362 1.983) 5.766 1.251 ( -1.424 -3.950 8.322) 9.321 1.358 ( 3.335 -7.019 1.196) 7.863 1.493 ( 4.190 -2.541 -4.708) 6.796 1.549 ( 1.177 -3.287 -5.801) 6.770 1.730 ( 0.617 3.641 1.670) 4.053 1.834 ( 2.352 1.834 -2.579) 3.943 1.878 ( -1.017 -0.107 -3.417) 3.567 1.949 ( 1.163 3.654 -1.492) 4.114 2.010 ( -1.522 2.594 -5.763) 6.501 2.129 ( -4.152 -3.572 -2.725) 6.117 2.210 ( -4.426 3.659 2.651) 6.325 2.264 ( -1.006 -0.561 -3.328) 3.522 2.350 ( -2.726 -0.029 2.251) 3.536 2.415 ( 1.690 0.182 0.799) 1.879 2.463 ( 0.612 -7.201 3.255) 7.926 2.539 ( 1.759 -1.650 -0.320) 2.433 2.615 ( -0.489 -1.866 0.674) 2.044 2.711 ( -0.387 -0.822 0.045) 0.909 2.845 ( -0.490 0.917 1.725) 2.014 2.973 ( 2.019 -1.658 0.637) 2.689 3.133 ( 1.842 0.318 -0.816) 2.039 3.186 ( 0.633 -0.183 2.448) 2.535 3.253 ( 2.671 -1.720 -1.515) 3.519 3.328 ( -4.420 0.169 0.475) 4.449 3.343 ( 0.947 0.141 -3.563) 3.689 3.408 ( -2.387 2.038 1.273) 3.387 3.465 ( 1.813 3.737 -1.524) 4.424 3.543 ( 0.314 -0.940 -0.299) 1.035 3.591 ( -1.025 -0.191 0.651) 1.229 3.647 ( 0.823 2.135 -0.875) 2.450 3.737 ( 0.693 -2.463 0.434) 2.595 3.860 ( 1.978 5.122 1.431) 5.674 3.942 ( -2.813 -1.552 0.242) 3.222 4.051 ( 0.232 -1.564 -0.708) 1.732 4.243 ( -3.052 0.943 -0.335) 3.212 4.277 ( 0.599 -0.270 -0.278) 0.714 4.458 ( -3.471 -0.698 2.444) 4.302 4.667 ( 2.855 -2.688 0.269) 3.930 9.002 ( -2.596 -3.952 0.160) 4.731 9.175 ( 3.745 -2.585 0.916) 4.642 9.353 ( -11.070 -9.141 1.288) 14.414 11.336 ( 19.840 2.323 -1.153) 20.009 12.437 ( -1.596 0.917 -0.167) 1.848 12.567 ( 3.330 1.568 -0.031) 3.681 12.595 ( -3.525 -1.190 0.173) 3.724 12.740 ( 1.666 -0.823 -0.123) 1.863 13.379 ( 1.094 -1.748 0.142) 2.068 14.292 ( 32.424 -1.196 -2.306) 32.528 15.143 ( 0.776 -1.647 0.891) 2.027 15.223 ( 3.537 -0.640 -0.922) 3.711 17.073 ( 0.266 -1.228 1.233) 1.760 17.108 ( 0.718 -1.158 -0.992) 1.685 17.219 ( -0.159 0.484 -0.016) 0.510 17.262 ( 1.189 0.412 -0.039) 1.259 17.289 ( -2.914 -0.297 1.085) 3.124 17.362 ( -0.290 1.588 0.154) 1.622 17.580 ( -5.232 0.957 -0.407) 5.334 17.737 ( 0.116 -0.129 -0.006) 0.174 19.844 ( 0.188 -0.533 1.882) 1.965 20.298 ( 5.171 2.070 -1.447) 5.755 20.384 ( 2.023 0.625 0.755) 2.248 20.483 ( 8.310 4.860 -0.908) 9.670 27.154 ( -1.218 -0.460 0.187) 1.315 27.247 ( 1.364 -0.040 0.066) 1.366 27.455 ( -0.216 -0.680 0.825) 1.091 27.471 ( 0.139 -0.551 -0.888) 1.054 30.396 ( -3.179 2.425 0.679) 4.056 30.563 ( 1.616 1.653 -1.211) 2.610 33.201 ( -1.444 0.649 3.548) 3.885 33.286 ( 1.123 2.781 -1.738) 3.467 33.688 ( -0.224 1.320 5.378) 5.542 33.794 ( 1.708 6.027 -6.844) 9.278 34.140 ( -2.875 -3.339 -1.553) 4.672 34.361 ( 7.036 -5.344 2.946) 9.314 34.849 ( -6.493 -2.251 -0.563) 6.895 35.008 ( 0.049 -5.299 -1.578) 5.529 35.641 ( -6.464 1.100 4.755) 8.100 35.883 ( 0.675 1.408 -2.039) 2.568 39.941 ( -8.119 -12.789 30.045) 33.648 40.547 ( 1.715 -11.134 -31.486) 33.441 45.367 ( 0.213 -0.033 0.405) 0.459 45.385 ( 0.718 0.192 -0.604) 0.958 ======================= Grid point 170 (75/115) ======================= q-point: ( 0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -0.308 -0.889 2.564) 2.731 1.058 ( 7.582 -5.765 -1.866) 9.706 1.349 ( 0.373 -5.211 1.294) 5.382 1.407 ( 0.171 1.181 2.509) 2.778 1.540 ( 0.364 0.088 2.379) 2.408 1.649 ( 1.148 -5.310 0.934) 5.512 1.697 ( 3.891 1.762 -3.785) 5.707 1.777 ( -0.760 2.520 -3.563) 4.430 1.877 ( 0.371 0.619 -3.825) 3.892 1.901 ( 1.841 1.498 -3.680) 4.378 1.986 ( -1.818 -0.945 -1.112) 2.331 2.107 ( -1.551 1.715 0.164) 2.318 2.205 ( -3.296 -1.505 -0.633) 3.679 2.246 ( 1.519 -2.303 -1.325) 3.060 2.333 ( -1.661 0.183 1.896) 2.527 2.376 ( -1.829 3.815 0.640) 4.279 2.518 ( -2.401 -1.014 -1.489) 3.002 2.552 ( -1.612 1.670 -0.010) 2.321 2.690 ( 0.955 -6.077 -0.285) 6.158 2.707 ( 4.053 2.870 2.624) 5.617 2.894 ( 0.455 -5.053 2.308) 5.573 2.992 ( -1.966 1.098 0.316) 2.274 3.147 ( 3.086 0.016 -2.650) 4.068 3.201 ( 2.913 0.354 1.778) 3.431 3.272 ( -0.871 0.281 -0.650) 1.122 3.304 ( -0.482 1.352 -0.753) 1.621 3.340 ( -0.089 -0.130 -0.956) 0.969 3.358 ( -0.978 1.067 -1.683) 2.220 3.389 ( -0.341 2.992 -0.579) 3.067 3.557 ( -0.095 -0.346 0.264) 0.445 3.587 ( -0.010 1.625 0.256) 1.645 3.590 ( 0.509 1.259 -0.093) 1.362 3.781 ( -0.277 -1.095 1.620) 1.975 3.838 ( 0.658 -0.509 2.173) 2.326 3.950 ( -1.390 -0.837 -0.356) 1.661 4.074 ( 0.478 -0.427 -0.569) 0.857 4.210 ( -2.024 0.592 0.041) 2.109 4.286 ( 0.363 -0.091 0.403) 0.550 4.462 ( -1.827 -1.336 1.151) 2.540 4.719 ( 1.216 -1.040 0.388) 1.647 9.046 ( -0.423 -1.513 0.107) 1.575 9.234 ( 1.485 -1.289 0.104) 1.970 9.409 ( -3.936 -2.559 2.106) 5.145 11.369 ( 5.624 1.788 -1.214) 6.025 12.417 ( -0.543 0.360 -0.066) 0.655 12.563 ( 1.382 0.668 -0.074) 1.537 12.592 ( -1.543 -0.517 0.177) 1.637 12.758 ( 0.573 -0.262 -0.094) 0.637 13.410 ( 0.652 -0.661 0.014) 0.928 14.453 ( 11.415 0.087 -2.258) 11.637 15.180 ( 1.040 -1.305 1.328) 2.132 15.232 ( 0.792 1.101 -0.627) 1.494 17.099 ( 0.042 -0.932 1.320) 1.617 17.130 ( 0.451 -0.716 -1.277) 1.532 17.213 ( 0.263 0.081 0.039) 0.278 17.264 ( 0.573 0.057 -0.121) 0.588 17.282 ( -0.545 -0.343 0.990) 1.182 17.324 ( -0.999 1.572 -0.247) 1.879 17.542 ( -2.343 0.086 -0.216) 2.355 17.740 ( 0.068 -0.090 0.103) 0.153 19.846 ( 0.242 0.534 1.744) 1.840 20.295 ( 1.279 0.447 0.323) 1.393 20.374 ( -0.488 1.074 -1.044) 1.575 20.451 ( 4.315 1.782 -0.805) 4.737 27.160 ( -0.268 -0.462 0.065) 0.538 27.256 ( 0.534 -0.022 0.082) 0.540 27.462 ( -0.255 -0.111 0.950) 0.990 27.480 ( 0.184 -0.367 -0.903) 0.992 30.344 ( -1.413 1.047 0.310) 1.786 30.546 ( 0.719 0.803 -0.692) 1.281 33.193 ( -0.997 -0.451 2.020) 2.298 33.245 ( 0.422 1.898 0.318) 1.970 33.681 ( 0.200 1.150 -0.544) 1.288 33.709 ( 0.941 1.666 -2.336) 3.019 34.165 ( -1.665 -1.319 -1.151) 2.416 34.499 ( 6.297 -2.740 3.427) 7.675 34.815 ( -5.681 0.512 -1.292) 5.849 35.081 ( 0.434 -2.463 -1.645) 2.994 35.602 ( -3.559 -0.140 3.419) 4.937 35.869 ( 1.191 0.674 -0.971) 1.678 40.089 ( -6.902 -3.541 27.777) 28.840 40.669 ( 5.019 -5.067 -29.538) 30.387 45.370 ( 0.033 -0.037 0.472) 0.474 45.385 ( 0.307 0.089 -0.580) 0.662 ======================= Grid point 171 (76/115) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -5.895 -0.411 3.345) 6.790 1.124 ( 0.936 0.543 -7.874) 7.948 1.338 ( 0.791 3.164 0.217) 3.268 1.484 ( -2.172 -4.311 -1.194) 4.972 1.554 ( -1.283 -0.327 2.455) 2.789 1.666 ( -3.244 3.229 -3.452) 5.733 1.684 ( 0.392 2.366 4.799) 5.365 1.703 ( 2.060 2.873 -2.679) 4.435 1.820 ( -1.024 2.660 0.079) 2.852 1.919 ( 0.680 -1.811 -4.750) 5.129 1.974 ( 3.530 2.226 -0.930) 4.276 2.127 ( 1.705 -0.947 -1.353) 2.373 2.183 ( -2.414 -2.120 2.354) 3.982 2.247 ( 2.624 2.883 -2.138) 4.446 2.328 ( -0.380 -1.097 1.635) 2.005 2.396 ( 2.161 -2.897 0.155) 3.617 2.507 ( -1.746 -0.142 -1.090) 2.063 2.555 ( 2.640 -0.902 -0.541) 2.842 2.647 ( 0.535 4.507 2.343) 5.108 2.781 ( -1.440 -3.181 -2.641) 4.378 2.913 ( -3.877 3.260 0.128) 5.067 3.005 ( 3.317 -4.619 1.406) 5.858 3.112 ( -2.360 3.068 -1.157) 4.040 3.220 ( -1.799 -0.371 0.713) 1.971 3.253 ( -1.622 2.122 1.110) 2.892 3.280 ( 1.365 -1.504 -0.120) 2.034 3.337 ( -0.532 0.306 -0.695) 0.927 3.370 ( 3.053 -0.237 -2.029) 3.674 3.388 ( 2.304 -2.524 -0.489) 3.452 3.553 ( -1.343 0.360 0.834) 1.621 3.574 ( 0.634 -0.136 0.797) 1.028 3.587 ( -0.344 -0.775 0.389) 0.932 3.770 ( -1.091 2.026 2.700) 3.548 3.857 ( -0.722 -0.839 0.332) 1.155 3.952 ( 1.113 0.314 -0.483) 1.254 4.068 ( 0.098 1.106 -0.159) 1.122 4.192 ( 0.583 0.743 1.616) 1.872 4.287 ( 0.162 0.234 0.296) 0.410 4.481 ( 0.112 -1.248 -0.499) 1.349 4.720 ( -0.979 1.080 0.290) 1.487 9.047 ( 0.359 1.368 0.018) 1.414 9.237 ( -1.178 1.181 -0.146) 1.674 9.405 ( 2.213 2.724 2.482) 4.298 11.387 ( -4.017 -3.471 -2.676) 5.945 12.416 ( 0.567 -0.193 0.059) 0.602 12.563 ( -1.160 -0.617 -0.085) 1.317 12.593 ( 1.231 0.368 0.130) 1.291 12.758 ( -0.530 0.275 -0.086) 0.604 13.410 ( -0.541 0.708 0.024) 0.891 14.462 ( -11.218 -1.576 -3.074) 11.738 15.200 ( -1.186 1.771 -0.033) 2.132 15.206 ( -0.279 -0.678 1.249) 1.448 17.106 ( -0.540 0.171 1.019) 1.165 17.131 ( 0.181 0.682 -1.644) 1.789 17.216 ( 0.366 -0.026 -0.141) 0.393 17.264 ( -1.598 -0.558 -0.225) 1.707 17.296 ( 1.506 0.328 -0.219) 1.557 17.312 ( 1.205 -1.160 0.915) 1.906 17.539 ( 1.516 -0.114 0.028) 1.520 17.739 ( -0.073 0.199 0.171) 0.272 19.842 ( -0.569 0.053 2.006) 2.085 20.293 ( -2.193 -0.458 0.498) 2.295 20.364 ( -1.141 -1.239 -0.357) 1.722 20.490 ( -1.203 -4.759 -3.878) 6.256 27.162 ( 0.171 0.201 -0.121) 0.290 27.256 ( -0.530 0.040 0.081) 0.537 27.460 ( -0.166 0.376 0.903) 0.992 27.484 ( 0.185 -0.071 -0.981) 1.001 30.343 ( 0.974 -1.044 0.418) 1.487 30.544 ( -0.206 -0.493 -0.526) 0.750 33.212 ( -0.193 -1.570 0.923) 1.831 33.226 ( -0.272 0.242 1.520) 1.563 33.650 ( -0.266 0.656 0.521) 0.879 33.740 ( 0.370 -3.384 -3.347) 4.774 34.160 ( -0.049 0.961 -0.652) 1.163 34.530 ( -1.454 2.343 0.837) 2.881 34.767 ( 1.517 2.471 2.389) 3.757 35.101 ( 0.655 0.192 -3.150) 3.223 35.609 ( -0.075 -1.528 2.838) 3.224 35.866 ( 1.643 0.562 -0.821) 1.921 40.069 ( -5.704 5.544 26.741) 27.899 40.713 ( 8.975 0.616 -30.444) 31.745 45.371 ( -0.234 -0.068 0.474) 0.533 45.384 ( -0.113 0.045 -0.549) 0.562 ======================= Grid point 172 (77/115) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -10.336 -4.999 2.560) 11.763 1.029 ( -4.221 7.380 -13.265) 15.756 1.256 ( 1.452 8.704 7.144) 11.354 1.402 ( -4.841 10.222 -1.411) 11.398 1.449 ( -4.951 1.582 -1.011) 5.295 1.538 ( -2.767 2.765 -3.370) 5.163 1.715 ( 4.361 -0.817 6.649) 7.994 1.754 ( 0.728 -5.043 1.738) 5.384 1.841 ( 0.213 -4.510 -0.278) 4.523 1.907 ( 5.727 6.664 -1.425) 8.902 2.035 ( -0.074 -5.772 -6.705) 8.848 2.100 ( 5.001 2.731 1.059) 5.796 2.203 ( 1.339 2.952 1.820) 3.717 2.265 ( 2.082 -1.894 -2.475) 3.748 2.374 ( 0.884 -2.884 0.857) 3.135 2.401 ( -0.032 -0.062 0.968) 0.971 2.474 ( -3.601 1.101 -0.414) 3.788 2.567 ( 3.546 3.053 -1.452) 4.900 2.655 ( 1.850 -3.577 -0.881) 4.122 2.763 ( -6.597 4.164 -5.225) 9.390 2.848 ( -0.925 -0.715 1.229) 1.696 3.018 ( -2.861 3.181 -2.834) 5.132 3.117 ( -0.891 -3.074 1.117) 3.390 3.190 ( -3.293 2.094 2.114) 4.438 3.218 ( 1.053 -0.715 1.279) 1.804 3.326 ( 3.022 0.575 0.652) 3.145 3.333 ( 2.477 -0.737 -2.457) 3.566 3.414 ( 1.354 -2.375 0.827) 2.856 3.438 ( 0.738 -0.884 0.849) 1.431 3.533 ( -0.837 0.739 0.304) 1.158 3.585 ( 1.414 -0.574 1.042) 1.848 3.623 ( -0.316 -1.732 1.331) 2.207 3.716 ( -1.550 1.864 2.511) 3.490 3.861 ( -3.186 -1.148 0.198) 3.392 3.956 ( 3.538 0.908 -0.249) 3.661 4.036 ( -0.350 2.049 0.471) 2.131 4.201 ( 2.460 -0.159 2.810) 3.738 4.280 ( 0.468 0.574 -0.084) 0.746 4.508 ( 0.891 -1.361 -1.804) 2.429 4.669 ( -2.668 2.816 0.087) 3.881 9.006 ( 2.527 3.838 -0.176) 4.598 9.179 ( -2.137 3.406 0.697) 4.081 9.344 ( 7.283 8.089 1.892) 11.048 11.401 ( -16.819 -5.356 -6.575) 18.836 12.433 ( 1.655 -0.771 0.196) 1.836 12.568 ( -3.103 -1.509 -0.064) 3.451 12.596 ( 3.266 1.149 0.102) 3.464 12.740 ( -1.621 0.784 -0.132) 1.805 13.380 ( -1.270 1.575 0.060) 2.024 14.330 ( -32.195 -1.533 -5.704) 32.732 15.155 ( -1.108 2.011 0.106) 2.299 15.197 ( -2.664 0.779 1.122) 2.993 17.093 ( -0.913 0.620 0.606) 1.259 17.107 ( -0.194 1.251 -2.027) 2.390 17.221 ( 0.567 -0.223 -0.190) 0.638 17.264 ( -1.596 -0.755 -0.340) 1.798 17.302 ( 1.733 0.181 -0.101) 1.745 17.358 ( 1.326 -1.827 0.651) 2.350 17.572 ( 5.049 -0.867 0.289) 5.131 17.734 ( -0.131 0.233 0.205) 0.337 19.836 ( -0.783 0.675 2.326) 2.546 20.294 ( -4.422 -2.254 -0.606) 5.000 20.388 ( -0.619 -1.756 0.062) 1.863 20.569 ( -10.729 -8.076 -8.424) 15.853 27.159 ( 0.987 0.305 -0.246) 1.062 27.247 ( -1.371 0.076 0.084) 1.376 27.450 ( -0.025 0.729 0.791) 1.076 27.481 ( 0.070 0.284 -1.249) 1.283 30.394 ( 2.624 -2.558 0.892) 3.772 30.557 ( -0.815 -1.299 -0.738) 1.702 33.224 ( -0.883 -0.473 3.692) 3.825 33.260 ( 0.397 -2.965 -1.620) 3.402 33.662 ( -1.517 -2.132 5.216) 5.836 33.815 ( 0.715 -4.892 -6.379) 8.071 34.129 ( 1.503 2.700 -0.376) 3.113 34.414 ( -6.152 5.745 -2.261) 8.716 34.741 ( 5.613 4.562 7.252) 10.242 35.075 ( 1.216 2.593 -5.547) 6.243 35.665 ( 2.708 -2.762 3.062) 4.933 35.872 ( 2.261 -0.093 -1.524) 2.728 39.901 ( -4.460 12.731 27.215) 30.375 40.663 ( 11.885 7.416 -35.411) 38.081 45.371 ( -0.465 -0.123 0.407) 0.630 45.380 ( -0.472 0.052 -0.452) 0.656 ======================= Grid point 173 (78/115) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -1.654 11.508 -4.119) 12.334 0.888 ( -11.029 -13.055 2.511) 17.274 1.074 ( 3.716 12.666 11.326) 17.393 1.295 ( 0.504 -0.856 -1.745) 2.008 1.412 ( -0.562 1.226 -3.295) 3.561 1.473 ( -5.194 0.233 -4.814) 7.086 1.737 ( 5.928 6.708 8.117) 12.084 1.784 ( 4.035 4.605 -3.679) 7.143 1.883 ( -1.795 -6.669 5.197) 8.643 1.922 ( -1.251 -3.004 -0.549) 3.300 2.037 ( -2.989 -0.496 -1.709) 3.479 2.130 ( 4.064 3.899 0.545) 5.658 2.205 ( 7.591 -2.570 -1.749) 8.203 2.301 ( -2.838 -1.828 0.216) 3.382 2.390 ( 0.085 1.248 -4.399) 4.573 2.426 ( -0.957 1.290 -0.348) 1.644 2.453 ( 1.596 -2.411 -2.168) 3.614 2.530 ( 2.506 2.683 -0.808) 3.759 2.610 ( -6.352 3.269 -4.020) 8.197 2.687 ( -2.094 1.204 -5.571) 6.072 2.860 ( -0.408 0.231 2.141) 2.191 2.937 ( -2.639 2.235 -1.504) 3.771 3.125 ( 0.609 0.383 -0.466) 0.857 3.144 ( -1.629 0.780 3.987) 4.377 3.251 ( -0.265 0.798 -0.152) 0.855 3.299 ( 1.188 1.794 -3.919) 4.471 3.376 ( 4.479 0.059 0.150) 4.482 3.432 ( -1.871 0.987 2.426) 3.219 3.439 ( 0.352 0.901 3.639) 3.765 3.539 ( -0.243 -2.246 -1.723) 2.841 3.594 ( 0.678 0.995 2.241) 2.544 3.653 ( 0.193 -0.706 0.190) 0.756 3.744 ( 4.907 -4.258 -0.387) 6.508 3.856 ( -3.865 -0.913 2.377) 4.628 3.964 ( 2.468 1.030 1.210) 2.935 4.001 ( -0.551 1.269 1.537) 2.068 4.236 ( 1.271 -1.328 3.687) 4.120 4.301 ( 2.936 -2.715 -0.328) 4.012 4.537 ( -0.872 -1.862 -1.266) 2.415 4.588 ( -2.716 3.302 -0.220) 4.281 8.947 ( 9.165 7.067 0.116) 11.574 9.093 ( -2.029 3.957 1.143) 4.591 9.212 ( 10.127 12.864 1.061) 16.406 11.216 ( -44.780 3.352 -17.124) 48.059 12.469 ( 2.633 -1.353 0.330) 2.979 12.573 ( -3.825 -1.731 0.045) 4.199 12.595 ( 3.812 1.691 0.104) 4.171 12.705 ( -2.603 1.210 -0.316) 2.888 13.340 ( -1.100 1.607 -0.010) 1.948 14.007 ( -45.556 4.393 -10.614) 46.982 15.113 ( -0.445 1.863 0.217) 1.928 15.148 ( -2.846 2.081 0.520) 3.563 17.078 ( -0.472 0.419 -0.354) 0.723 17.086 ( -0.661 0.026 -1.210) 1.379 17.229 ( 0.686 -0.104 -0.086) 0.699 17.266 ( -1.368 -0.516 -0.479) 1.538 17.312 ( 2.343 0.280 0.556) 2.424 17.387 ( -0.550 -0.846 -0.294) 1.051 17.642 ( 5.792 -1.934 0.411) 6.120 17.732 ( -0.000 -0.032 0.150) 0.153 19.804 ( 0.336 3.111 2.378) 3.930 20.288 ( -10.947 -1.981 -5.230) 12.293 20.417 ( 0.292 -1.422 -0.555) 1.554 20.549 ( -16.792 -1.689 -10.722) 19.995 27.171 ( 2.067 -0.474 -0.192) 2.129 27.235 ( -1.617 0.059 0.102) 1.621 27.436 ( 0.055 0.846 0.684) 1.089 27.469 ( -0.146 0.734 -1.623) 1.787 30.467 ( 2.396 -2.627 2.017) 4.088 30.574 ( -0.446 -1.267 -1.707) 2.172 33.236 ( -1.546 -0.842 4.704) 5.023 33.317 ( 0.654 -2.917 -3.644) 4.714 33.723 ( -2.287 -4.533 8.749) 10.115 33.898 ( 1.434 -3.845 -7.147) 8.241 34.087 ( 2.516 2.997 -0.340) 3.928 34.251 ( -5.684 6.082 -2.424) 8.670 34.703 ( 5.280 4.829 8.336) 10.986 34.999 ( 1.206 5.512 -7.571) 9.442 35.756 ( 3.584 -3.750 4.000) 6.551 35.905 ( 3.065 -1.754 -2.929) 4.588 39.649 ( -3.627 14.738 26.488) 30.528 40.456 ( 10.716 17.759 -41.320) 46.234 45.370 ( -0.516 -0.083 0.085) 0.530 45.374 ( -0.626 0.010 -0.014) 0.626 ======================= Grid point 174 (79/115) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 6.596 0.747 13.999) 15.493 0.905 ( 6.610 9.652 19.010) 22.321 1.098 ( -8.189 -13.858 -4.686) 16.765 1.340 ( 0.601 1.093 -6.290) 6.412 1.392 ( -4.922 -1.498 4.194) 6.638 1.447 ( 2.046 -2.452 -1.724) 3.629 1.627 ( 3.243 7.506 4.601) 9.382 1.782 ( 3.463 -0.714 1.749) 3.945 1.919 ( -7.647 -4.443 -4.971) 10.146 1.968 ( 2.506 1.747 2.931) 4.233 2.035 ( -3.456 -0.921 -7.309) 8.137 2.109 ( 3.991 0.570 3.933) 5.632 2.244 ( 5.219 4.049 -4.267) 7.864 2.297 ( -2.490 -1.395 -3.982) 4.899 2.370 ( 0.728 0.265 -5.464) 5.519 2.385 ( -5.787 2.779 0.819) 6.471 2.473 ( 2.140 -0.229 1.082) 2.409 2.497 ( -1.299 2.802 1.593) 3.475 2.539 ( 1.874 2.911 -4.779) 5.902 2.592 ( -3.346 2.246 -4.518) 6.054 2.852 ( -0.336 0.245 2.492) 2.527 2.910 ( -0.082 -0.487 -2.644) 2.689 3.116 ( 0.503 1.406 1.043) 1.822 3.140 ( 0.819 0.474 0.028) 0.946 3.183 ( -2.115 3.445 3.113) 5.103 3.278 ( 1.004 1.370 -5.005) 5.285 3.377 ( 0.990 1.119 2.854) 3.222 3.421 ( 1.519 0.380 0.456) 1.631 3.465 ( 3.026 -2.712 0.719) 4.126 3.568 ( -3.080 -1.635 -2.510) 4.296 3.603 ( 0.826 -1.000 2.326) 2.664 3.644 ( -0.865 0.196 0.477) 1.007 3.851 ( -1.886 -0.669 2.831) 3.467 3.859 ( 6.265 -1.610 -2.087) 6.797 3.953 ( 0.789 2.226 1.834) 2.990 3.978 ( -1.002 1.198 1.146) 1.938 4.356 ( 8.105 -9.230 3.879) 12.881 4.406 ( 2.483 -4.813 2.088) 5.805 4.507 ( -1.388 2.375 -0.010) 2.751 4.573 ( -2.433 -2.809 0.588) 3.763 8.862 ( 23.717 15.677 2.392) 28.530 9.018 ( -1.508 2.552 0.695) 3.045 9.051 ( 2.672 7.701 -0.203) 8.154 10.340 (-101.146 32.209 -33.001) 111.162 12.521 ( 3.367 -1.696 0.381) 3.789 12.575 ( -3.710 -1.332 0.319) 3.954 12.590 ( 3.399 1.629 0.161) 3.773 12.657 ( -3.273 1.454 -0.771) 3.663 13.309 ( -0.972 0.764 -0.179) 1.249 13.537 ( -31.811 9.519 -8.139) 34.187 15.081 ( -0.501 1.214 0.467) 1.394 15.095 ( -1.001 1.721 -0.284) 2.011 17.079 ( 0.338 -0.784 -0.219) 0.881 17.091 ( -0.764 -0.962 -0.405) 1.293 17.232 ( 1.009 0.413 0.097) 1.094 17.260 ( -1.446 -0.067 -0.639) 1.582 17.330 ( 2.282 -0.283 1.032) 2.520 17.382 ( -1.588 0.259 -0.811) 1.801 17.710 ( 2.995 -1.380 0.405) 3.322 17.735 ( 0.467 -0.106 -0.195) 0.517 19.742 ( 2.062 4.162 1.782) 4.974 20.065 ( -26.502 9.213 -13.992) 31.353 20.445 ( 1.175 -1.015 -0.790) 1.742 20.454 ( -3.801 0.442 0.262) 3.835 27.201 ( 1.954 -0.900 -0.055) 2.152 27.224 ( -1.162 0.024 0.120) 1.169 27.424 ( -0.017 0.443 0.513) 0.678 27.446 ( -0.394 1.192 -1.321) 1.822 30.519 ( -0.033 -1.275 3.721) 3.933 30.594 ( 1.448 -0.980 -3.419) 3.840 33.246 ( -1.874 -0.629 5.480) 5.826 33.359 ( 0.731 -1.647 -5.338) 5.634 33.818 ( -2.157 -5.394 7.125) 9.193 33.938 ( 1.784 0.085 -5.504) 5.786 34.066 ( 2.494 0.940 -0.196) 2.672 34.117 ( -4.043 3.518 -0.689) 5.404 34.683 ( 3.783 1.732 5.597) 6.974 34.861 ( -0.274 7.924 -6.562) 10.292 35.866 ( 2.625 -4.638 3.452) 6.350 35.959 ( 1.999 -1.715 -3.446) 4.337 39.446 ( -5.010 6.029 20.254) 21.718 40.001 ( 3.324 28.070 -33.516) 43.844 45.368 ( 0.133 0.020 -0.109) 0.173 45.371 ( -0.670 -0.094 0.353) 0.763 ======================= Grid point 176 (80/115) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -4.543 -0.000 -4.117) 6.131 0.989 ( 10.004 0.000 15.737) 18.647 1.094 ( -12.038 -0.000 -15.571) 19.681 1.131 ( -5.464 -0.000 5.008) 7.412 1.277 ( -6.527 -0.000 8.596) 10.793 1.583 ( 5.577 0.000 4.274) 7.026 1.699 ( 6.634 0.000 14.363) 15.821 1.838 ( -1.946 -0.000 -2.658) 3.294 1.848 ( -9.405 -0.000 -6.392) 11.371 1.955 ( 1.727 0.000 -12.837) 12.953 1.971 ( 2.095 0.000 3.246) 3.863 2.040 ( 2.686 0.000 1.333) 2.998 2.189 ( -2.768 -0.000 -1.153) 2.998 2.227 ( -2.910 -0.000 1.588) 3.315 2.318 ( 2.538 0.000 3.959) 4.703 2.361 ( 0.877 0.000 -1.015) 1.342 2.515 ( -0.449 -0.000 -3.670) 3.698 2.533 ( 4.341 0.000 -3.374) 5.498 2.543 ( 0.623 0.000 -3.626) 3.679 2.589 ( 6.110 0.000 -1.949) 6.413 2.870 ( 0.933 0.000 2.934) 3.079 2.921 ( 0.969 0.000 -3.575) 3.704 3.100 ( -0.317 -0.000 0.222) 0.387 3.145 ( 1.417 0.000 -3.639) 3.905 3.156 ( 0.458 0.000 5.583) 5.601 3.274 ( 3.012 0.000 -5.297) 6.094 3.381 ( -1.576 -0.000 2.231) 2.732 3.398 ( -4.001 -0.000 -1.712) 4.352 3.505 ( -1.215 -0.000 2.280) 2.583 3.521 ( -3.933 -0.000 0.306) 3.945 3.627 ( 2.836 0.000 -2.265) 3.629 3.656 ( -1.564 -0.000 -0.426) 1.621 3.882 ( -4.664 -0.000 -0.899) 4.750 3.887 ( 1.056 0.000 -0.440) 1.144 3.914 ( 1.762 0.000 0.876) 1.968 3.936 ( -1.077 -0.000 1.561) 1.896 4.382 ( -7.640 -0.000 3.438) 8.377 4.443 ( -2.620 -0.000 -0.043) 2.621 4.487 ( -1.743 -0.000 1.474) 2.282 4.565 ( -23.941 -0.000 0.456) 23.945 9.003 ( 2.191 0.000 0.158) 2.197 9.012 ( 2.592 0.000 -0.078) 2.593 9.293 ( 93.913 0.000 -25.502) 97.314 9.946 ( 84.645 0.000 36.170) 92.049 12.506 ( -3.604 -0.000 1.179) 3.792 12.555 ( -3.424 -0.000 -1.292) 3.660 12.643 ( 4.194 0.000 -0.850) 4.279 12.643 ( 3.406 0.000 1.001) 3.550 13.412 ( 23.388 0.000 -3.589) 23.662 13.497 ( 24.550 0.000 5.708) 25.205 15.070 ( 0.972 0.000 0.470) 1.079 15.094 ( 1.916 0.000 -0.461) 1.970 17.079 ( -1.429 -0.000 0.234) 1.448 17.105 ( 0.493 0.000 0.181) 0.525 17.226 ( -1.009 -0.000 -0.688) 1.221 17.258 ( 1.420 0.000 0.616) 1.548 17.304 ( -4.389 -0.000 1.081) 4.520 17.380 ( 0.861 0.000 0.484) 0.988 17.693 ( -3.996 -0.000 0.435) 4.020 17.738 ( -1.498 -0.000 -0.839) 1.717 19.715 ( 10.188 0.000 -0.772) 10.217 19.933 ( 18.033 0.000 9.317) 20.298 20.413 ( -1.723 -0.000 1.490) 2.278 20.513 ( 4.625 0.000 -1.527) 4.870 27.195 ( -1.920 -0.000 0.346) 1.951 27.228 ( -0.151 -0.000 -0.253) 0.295 27.416 ( -0.315 -0.000 0.512) 0.601 27.427 ( 0.127 0.000 0.091) 0.157 30.512 ( -2.731 -0.000 3.771) 4.656 30.617 ( 0.734 0.000 -4.118) 4.183 33.252 ( -0.824 -0.000 6.443) 6.495 33.376 ( 2.131 0.000 -5.465) 5.866 33.830 ( -4.361 -0.000 2.825) 5.196 33.944 ( 2.092 0.000 -0.918) 2.285 34.068 ( -0.580 -0.000 0.297) 0.652 34.088 ( 1.607 0.000 -0.185) 1.617 34.660 ( -6.969 -0.000 1.408) 7.110 34.724 ( -0.427 -0.000 1.185) 1.259 35.802 ( -11.877 -0.000 4.852) 12.830 35.977 ( -1.737 -0.000 -0.731) 1.884 39.188 ( -15.365 -0.000 17.302) 23.140 39.698 ( 5.562 0.000 -5.732) 7.987 45.365 ( 0.172 0.000 0.141) 0.223 45.394 ( 1.720 0.000 -1.081) 2.032 ======================= Grid point 177 (81/115) ======================= q-point: ( 0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -8.192 12.741 -1.401) 15.212 0.958 ( -2.332 -3.166 1.816) 4.331 1.075 ( 6.052 -0.591 5.224) 8.017 1.237 ( -5.554 0.161 11.069) 12.386 1.273 ( -0.622 -8.594 -10.851) 13.856 1.595 ( 6.374 2.630 -4.245) 8.098 1.689 ( -5.857 2.726 -5.339) 8.381 1.860 ( 0.648 -9.075 10.972) 14.254 1.891 ( 2.908 0.869 0.330) 3.053 1.967 ( 1.177 0.873 -6.523) 6.685 2.011 ( 1.329 -7.784 -2.244) 8.209 2.078 ( -0.843 -1.670 3.832) 4.264 2.155 ( -1.225 2.089 1.144) 2.678 2.226 ( -1.735 -0.680 -1.002) 2.116 2.332 ( -0.641 2.736 -0.481) 2.851 2.382 ( -2.400 -1.762 3.787) 4.817 2.475 ( -2.211 1.199 -4.510) 5.164 2.526 ( 4.780 1.396 -1.281) 5.142 2.544 ( 2.714 1.021 0.454) 2.935 2.679 ( 6.750 -2.637 -1.457) 7.392 2.864 ( 1.040 0.458 0.852) 1.421 2.931 ( 1.592 -0.773 -2.469) 3.038 3.107 ( -0.603 -0.817 -0.813) 1.301 3.172 ( 1.189 -1.716 -0.767) 2.224 3.181 ( 0.304 -0.688 3.537) 3.616 3.309 ( 2.892 -1.706 -4.647) 5.733 3.328 ( -4.794 1.785 0.863) 5.188 3.399 ( -1.378 -2.369 0.703) 2.829 3.470 ( -1.745 -1.041 -2.389) 3.136 3.557 ( -0.097 -1.875 2.029) 2.764 3.602 ( -1.221 1.800 0.821) 2.325 3.669 ( 0.376 0.460 -0.473) 0.759 3.762 ( -1.082 5.639 0.536) 5.767 3.876 ( -1.820 -1.127 -0.770) 2.275 3.949 ( -2.521 -2.254 0.053) 3.382 4.005 ( 0.116 -2.744 -0.787) 2.857 4.278 ( -3.193 2.929 0.437) 4.355 4.339 ( -11.203 3.094 0.786) 11.648 4.498 ( -7.155 -3.005 3.079) 8.349 4.531 ( -2.866 -2.968 1.236) 4.307 9.001 ( 6.425 2.719 -0.274) 6.983 9.069 ( 3.658 -2.826 -0.461) 4.645 9.375 ( 72.544 27.979 -4.528) 77.884 11.091 ( 50.562 -23.770 6.399) 56.236 12.475 ( -2.745 0.783 0.587) 2.915 12.541 ( -3.572 -1.188 -0.848) 3.859 12.638 ( 3.808 1.813 0.094) 4.219 12.697 ( 2.778 -1.390 0.008) 3.106 13.435 ( 19.735 7.519 0.126) 21.119 14.054 ( 51.679 -16.212 0.397) 54.164 15.084 ( 1.053 -0.838 0.402) 1.404 15.144 ( 3.905 -2.936 -0.721) 4.938 17.060 ( -0.878 0.592 0.589) 1.211 17.099 ( 0.560 0.762 0.171) 0.961 17.224 ( -0.481 -0.346 -0.199) 0.625 17.269 ( -0.014 0.014 0.672) 0.673 17.277 ( -3.127 -0.210 0.959) 3.278 17.386 ( 0.034 -0.131 0.447) 0.467 17.644 ( -5.384 1.645 -0.314) 5.638 17.725 ( -2.015 -0.301 -0.445) 2.086 19.791 ( 11.394 -0.017 -0.808) 11.423 20.262 ( 20.787 -9.904 5.661) 23.711 20.397 ( -0.846 0.489 1.708) 1.968 20.556 ( 10.055 -0.578 -0.890) 10.111 27.166 ( -2.198 1.072 0.281) 2.462 27.236 ( 0.026 -0.761 -0.116) 0.770 27.422 ( -0.121 -0.713 0.482) 0.869 27.440 ( 0.186 -1.030 -0.205) 1.067 30.482 ( -3.106 1.497 2.814) 4.451 30.610 ( 0.606 0.507 -3.492) 3.580 33.245 ( -0.865 1.220 6.306) 6.481 33.373 ( 2.433 1.231 -5.147) 5.825 33.778 ( -3.133 2.484 7.042) 8.098 33.974 ( 2.266 -0.873 -4.199) 4.851 34.029 ( -1.434 1.505 -0.066) 2.080 34.160 ( 3.221 -4.316 0.502) 5.409 34.668 ( -8.411 -5.741 -1.518) 10.296 34.769 ( -1.309 -4.963 2.782) 5.838 35.707 ( -9.737 1.909 6.428) 11.822 35.940 ( -3.481 1.260 -2.505) 4.470 39.283 ( -11.229 -15.890 22.620) 29.837 39.906 ( 0.741 -17.769 -14.423) 22.898 45.368 ( 0.498 0.026 0.314) 0.589 45.399 ( 1.440 0.422 -1.165) 1.899 ======================= Grid point 178 (82/115) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 7.416 -6.463 6.982) 12.063 0.961 ( 4.631 4.252 2.676) 6.833 1.167 ( -1.611 -6.805 2.523) 7.434 1.261 ( 3.038 -3.188 9.529) 10.497 1.410 ( 1.421 -7.779 -15.681) 17.562 1.566 ( 2.341 3.606 -1.769) 4.649 1.676 ( -2.815 -5.768 0.781) 6.465 1.890 ( 0.282 2.536 2.804) 3.791 1.915 ( 1.410 0.929 -9.525) 9.674 2.027 ( -1.328 -1.269 0.356) 1.871 2.041 ( -2.296 0.964 -0.238) 2.501 2.077 ( 1.917 2.975 -5.324) 6.393 2.165 ( -2.124 -2.749 -5.560) 6.556 2.257 ( -2.257 3.043 1.113) 3.948 2.294 ( 1.294 -6.501 7.509) 10.016 2.348 ( -4.334 0.572 3.601) 5.663 2.468 ( -1.565 -0.671 -2.592) 3.101 2.505 ( 2.864 0.587 -0.761) 3.021 2.587 ( 4.493 -1.390 5.743) 7.423 2.729 ( 2.604 1.186 0.107) 2.864 2.878 ( 1.197 0.367 0.363) 1.304 2.963 ( 2.141 -1.158 -0.415) 2.470 3.125 ( 0.132 -1.356 -0.396) 1.418 3.183 ( -0.692 -0.179 3.599) 3.669 3.221 ( 1.701 -2.623 -1.785) 3.600 3.293 ( -4.456 -0.276 1.275) 4.643 3.340 ( 1.384 -0.685 -5.066) 5.296 3.418 ( -2.159 -0.083 1.034) 2.395 3.504 ( -0.282 -1.487 -0.972) 1.799 3.560 ( -3.063 -1.684 0.416) 3.520 3.564 ( 2.300 3.275 -0.445) 4.026 3.651 ( -0.017 0.292 -0.689) 0.748 3.717 ( 1.132 -0.461 0.081) 1.224 3.887 ( -3.988 -1.547 1.333) 4.481 3.952 ( -1.715 1.910 -1.600) 3.025 4.011 ( -1.737 -1.147 -0.768) 2.219 4.224 ( -7.109 1.140 0.129) 7.201 4.263 ( -0.989 -1.212 -1.323) 2.049 4.457 ( -3.773 1.231 4.912) 6.315 4.609 ( -0.121 -4.461 -0.047) 4.463 9.010 ( 7.818 1.688 -0.293) 8.003 9.152 ( 3.282 -3.050 -0.287) 4.489 9.457 ( 51.099 12.492 -0.247) 52.604 11.492 ( 14.482 0.001 1.597) 14.570 12.443 ( -1.643 0.865 0.010) 1.857 12.538 ( -3.813 -1.316 -0.258) 4.042 12.632 ( 3.816 1.786 0.024) 4.213 12.735 ( 1.547 -0.930 -0.020) 1.805 13.452 ( 15.774 4.723 0.396) 16.470 14.540 ( 35.428 0.230 -1.018) 35.444 15.119 ( 1.263 -1.723 0.507) 2.196 15.235 ( 6.090 -1.825 -1.380) 6.506 17.059 ( 0.208 -0.667 1.074) 1.281 17.097 ( 0.561 -0.206 -0.140) 0.614 17.224 ( -0.383 0.299 -0.278) 0.560 17.251 ( -3.786 -0.578 1.696) 4.189 17.280 ( 1.005 0.091 0.152) 1.021 17.378 ( -1.439 0.642 -0.007) 1.575 17.568 ( -4.577 1.683 -0.642) 4.919 17.721 ( -1.919 -0.794 -0.111) 2.080 19.871 ( 9.383 0.158 -0.317) 9.390 20.348 ( -0.417 1.658 0.730) 1.859 20.431 ( 5.122 1.593 -0.169) 5.367 20.679 ( 17.042 3.931 2.705) 17.697 27.143 ( -0.837 -0.021 0.331) 0.900 27.250 ( 0.298 -0.540 -0.020) 0.617 27.439 ( -0.026 -0.962 0.532) 1.100 27.459 ( 0.112 -0.812 -0.521) 0.971 30.425 ( -2.382 2.525 1.201) 3.673 30.594 ( 0.186 1.113 -2.133) 2.413 33.219 ( -1.230 1.586 5.386) 5.748 33.344 ( 1.819 2.669 -4.018) 5.155 33.731 ( -1.305 2.201 7.901) 8.305 33.918 ( 2.558 6.321 -7.387) 10.053 34.053 ( -1.355 -3.853 -0.199) 4.090 34.295 ( 4.783 -6.558 1.828) 8.321 34.716 ( -8.099 -5.824 -3.948) 10.728 34.881 ( -1.897 -7.107 3.226) 8.032 35.626 ( -6.638 1.394 6.037) 9.080 35.889 ( -3.083 0.733 -3.350) 4.611 39.609 ( -8.969 -20.020 26.576) 34.460 40.220 ( -1.201 -18.033 -23.204) 29.412 45.372 ( 0.532 0.089 0.500) 0.735 45.397 ( 1.016 0.535 -0.951) 1.491 ======================= Grid point 179 (83/115) ======================= q-point: ( 0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( 7.662 0.416 4.349) 8.820 0.998 ( 8.965 -6.105 0.415) 10.855 1.267 ( -0.297 -4.243 9.271) 10.200 1.426 ( 5.243 -4.507 -2.883) 7.491 1.518 ( 1.099 -7.257 -4.186) 8.450 1.537 ( -0.422 -0.813 0.358) 0.983 1.771 ( 2.673 0.591 3.179) 4.195 1.844 ( -1.854 -1.909 1.505) 3.057 1.877 ( 3.160 6.351 -6.657) 9.728 1.919 ( -1.417 0.044 -7.309) 7.445 1.987 ( 1.157 5.898 -5.107) 7.887 2.107 ( 1.761 -4.324 -2.976) 5.537 2.150 ( -4.534 4.075 2.179) 6.474 2.231 ( -0.934 -3.188 -4.146) 5.312 2.293 ( -5.831 -0.730 2.359) 6.333 2.410 ( -2.501 0.652 0.448) 2.623 2.469 ( -0.957 -4.651 3.369) 5.822 2.532 ( 0.548 -0.716 -1.909) 2.111 2.643 ( 0.889 2.713 1.036) 3.038 2.752 ( 4.612 -4.236 6.000) 8.673 2.862 ( 1.677 1.807 1.480) 2.875 2.986 ( -0.797 -0.265 -0.128) 0.849 3.145 ( 0.349 -0.984 -0.744) 1.282 3.207 ( 0.843 -1.413 1.905) 2.517 3.247 ( -3.749 -0.417 -0.126) 3.775 3.304 ( 1.548 -2.841 -0.800) 3.333 3.339 ( 0.821 1.444 -3.677) 4.035 3.377 ( -1.949 1.674 -0.294) 2.586 3.470 ( -0.786 5.197 -2.357) 5.761 3.527 ( -2.757 -1.065 0.534) 3.003 3.586 ( 0.424 -0.587 -0.430) 0.843 3.649 ( -0.261 1.767 -0.846) 1.977 3.752 ( 1.006 -1.920 0.218) 2.178 3.839 ( -4.750 0.944 3.521) 5.988 3.927 ( 0.654 -0.761 -1.051) 1.453 4.042 ( -0.955 -2.538 -0.763) 2.817 4.187 ( -2.973 -0.720 -0.513) 3.102 4.275 ( -1.102 -0.787 -0.091) 1.357 4.445 ( 0.145 -0.437 3.609) 3.638 4.676 ( -1.620 -3.252 0.134) 3.636 9.043 ( 5.215 0.153 -0.185) 5.220 9.217 ( 1.372 -1.820 0.146) 2.284 9.604 ( 43.032 9.443 0.460) 44.058 11.472 ( 0.632 5.950 0.397) 5.996 12.422 ( -0.480 0.496 -0.117) 0.700 12.531 ( -3.869 -1.026 -0.012) 4.003 12.629 ( 3.847 1.452 0.042) 4.112 12.754 ( 0.321 -0.435 -0.050) 0.542 13.481 ( 13.072 3.832 0.055) 13.623 14.615 ( 11.258 8.005 -1.138) 13.861 15.161 ( 0.901 -1.612 0.715) 1.980 15.260 ( 0.820 1.450 -1.192) 2.048 17.083 ( 0.271 -1.114 1.302) 1.735 17.112 ( 0.063 -1.013 -0.592) 1.175 17.210 ( -1.770 -0.248 0.035) 1.788 17.247 ( -1.680 -0.456 1.250) 2.143 17.286 ( 1.210 -0.022 -0.033) 1.210 17.342 ( -2.329 1.364 -0.773) 2.807 17.533 ( -0.345 0.054 -0.043) 0.352 17.724 ( -1.707 -0.946 0.005) 1.952 19.908 ( 7.827 2.609 0.088) 8.251 20.313 ( -1.176 1.322 0.884) 1.978 20.411 ( 1.966 2.639 -0.837) 3.396 20.606 ( 4.944 10.385 1.593) 11.611 27.152 ( 0.879 -0.648 0.300) 1.133 27.258 ( -0.003 -0.113 0.023) 0.116 27.455 ( -0.136 -0.621 0.874) 1.081 27.471 ( 0.179 -0.563 -0.803) 0.997 30.370 ( -0.446 2.147 0.489) 2.247 30.564 ( -0.925 1.340 -1.276) 2.068 33.194 ( -1.159 0.845 4.098) 4.342 33.294 ( 0.830 2.914 -2.243) 3.770 33.701 ( -0.574 1.457 5.150) 5.383 33.799 ( 2.162 6.270 -6.827) 9.518 34.115 ( 0.038 -3.120 -0.139) 3.123 34.455 ( 2.919 -5.952 1.795) 6.868 34.750 ( -3.900 -3.506 -2.710) 5.903 34.996 ( -1.933 -5.880 1.228) 6.310 35.582 ( -3.667 0.195 5.170) 6.342 35.862 ( -2.283 -0.456 -2.959) 3.765 39.920 ( -7.822 -13.702 27.628) 31.816 40.471 ( 1.613 -13.288 -26.998) 30.134 45.373 ( 0.309 0.162 0.559) 0.659 45.392 ( 0.584 0.442 -0.750) 1.048 ======================= Grid point 180 (84/115) ======================= q-point: ( 0.56 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 3.012 4.187 4.305) 6.719 1.126 ( 3.082 -0.799 -6.030) 6.819 1.374 ( 1.861 -5.191 2.876) 6.220 1.415 ( 1.024 3.270 -0.742) 3.505 1.542 ( -1.563 -0.099 3.065) 3.442 1.669 ( -1.019 -1.084 1.678) 2.242 1.747 ( 3.633 2.358 -4.630) 6.340 1.782 ( 5.410 2.190 -1.960) 6.157 1.886 ( 1.596 2.616 -1.354) 3.350 1.897 ( -0.761 0.635 -4.286) 4.399 1.990 ( 3.914 -4.093 -2.557) 6.214 2.081 ( -2.143 -1.406 -0.010) 2.563 2.142 ( -4.692 0.586 -0.569) 4.762 2.267 ( -3.230 -2.290 2.923) 4.921 2.310 ( 1.661 -2.801 -2.479) 4.093 2.356 ( 0.168 1.309 1.020) 1.668 2.492 ( -0.639 0.438 1.693) 1.862 2.553 ( 1.521 -1.441 -1.120) 2.375 2.680 ( -1.811 -5.430 0.099) 5.724 2.769 ( 2.924 5.143 -0.215) 5.920 2.900 ( -2.130 -2.026 4.328) 5.232 2.968 ( -0.384 -0.714 -1.249) 1.489 3.145 ( -1.595 1.378 -2.611) 3.356 3.217 ( -4.132 1.894 0.061) 4.546 3.253 ( 2.339 -1.819 1.653) 3.393 3.285 ( -1.708 0.947 -1.060) 2.222 3.320 ( -1.757 2.440 -0.475) 3.044 3.374 ( 2.550 -1.182 -1.509) 3.190 3.386 ( 0.612 0.120 -2.059) 2.152 3.520 ( -3.897 -0.661 -0.000) 3.953 3.587 ( -0.137 0.318 0.506) 0.613 3.600 ( 0.085 1.707 0.058) 1.710 3.787 ( 0.373 -0.412 1.965) 2.042 3.835 ( -1.694 -0.998 1.741) 2.626 3.955 ( 1.971 -1.030 -0.099) 2.226 4.070 ( -0.671 -0.835 -0.866) 1.378 4.193 ( -0.153 -0.963 0.788) 1.254 4.278 ( -1.483 -0.654 0.273) 1.644 4.474 ( 2.440 -0.786 1.942) 3.216 4.702 ( -3.379 -1.297 0.107) 3.622 9.070 ( 3.284 0.436 -0.060) 3.313 9.234 ( -1.587 0.050 0.092) 1.591 9.720 ( 41.660 11.326 1.689) 43.205 11.338 ( -9.433 3.930 -1.284) 10.299 12.418 ( 0.674 -0.055 -0.040) 0.677 12.521 ( -3.692 -0.937 -0.040) 3.809 12.634 ( 3.874 1.045 0.152) 4.015 12.756 ( -0.853 0.056 -0.095) 0.860 13.492 ( 10.978 4.439 -0.175) 11.843 14.444 ( -11.707 8.832 -1.290) 14.721 15.190 ( -0.342 -0.971 0.998) 1.434 15.221 ( -1.686 1.465 -0.866) 2.395 17.101 ( -0.362 -0.550 1.331) 1.485 17.129 ( -0.043 -0.760 -1.162) 1.389 17.212 ( -0.665 -0.685 -0.032) 0.955 17.240 ( -1.878 -0.135 0.035) 1.883 17.301 ( 0.803 -0.674 0.162) 1.061 17.308 ( -0.420 0.567 -0.328) 0.778 17.552 ( 3.329 -0.600 0.367) 3.402 17.728 ( -1.763 -0.720 0.071) 1.906 19.898 ( 6.104 3.559 1.141) 7.158 20.276 ( -4.239 1.372 0.549) 4.490 20.365 ( -0.291 2.294 0.486) 2.363 20.476 ( -0.453 3.505 -1.765) 3.950 27.170 ( 1.507 -0.069 0.128) 1.514 27.254 ( -0.797 0.234 0.039) 0.831 27.462 ( -0.205 -0.124 1.007) 1.035 27.480 ( 0.290 -0.338 -0.907) 1.010 30.350 ( 1.917 0.487 0.497) 2.040 30.533 ( -2.043 0.434 -0.899) 2.274 33.189 ( -0.593 -0.515 2.551) 2.669 33.249 ( 0.036 1.900 -0.283) 1.921 33.684 ( 0.305 1.244 -0.220) 1.300 33.713 ( 0.737 2.301 -2.644) 3.582 34.164 ( 1.657 -1.221 0.527) 2.124 34.516 ( -5.271 -1.098 -1.115) 5.498 34.803 ( 4.895 -1.716 1.394) 5.371 35.067 ( -1.649 -3.093 -1.094) 3.672 35.586 ( -0.504 -1.351 4.828) 5.039 35.858 ( -1.828 -1.004 -2.672) 3.390 40.082 ( -6.775 -4.317 27.030) 28.199 40.648 ( 5.503 -7.602 -28.513) 30.018 45.372 ( 0.023 0.178 0.530) 0.559 45.386 ( 0.190 0.341 -0.609) 0.723 ======================= Grid point 182 (85/115) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( -1.198 5.686 5.073) 7.714 1.071 ( -3.792 4.005 -10.033) 11.449 1.366 ( 2.664 2.701 0.048) 3.794 1.450 ( -2.853 -0.353 3.303) 4.378 1.501 ( -4.771 3.878 0.056) 6.149 1.593 ( -2.215 4.757 -6.128) 8.068 1.737 ( 2.651 1.743 0.712) 3.252 1.774 ( 6.626 2.799 -0.337) 7.201 1.813 ( -0.221 1.971 0.507) 2.047 1.930 ( 2.826 -4.099 -6.553) 8.230 2.017 ( 3.594 0.969 -0.774) 3.802 2.142 ( -3.840 -5.044 1.696) 6.562 2.175 ( 4.392 -1.715 1.307) 4.893 2.281 ( 2.054 0.242 -0.488) 2.125 2.316 ( -1.369 -3.282 0.896) 3.667 2.416 ( -0.557 1.176 -0.850) 1.554 2.469 ( -2.631 1.588 2.407) 3.903 2.607 ( 4.173 -2.310 0.842) 4.843 2.655 ( -1.237 3.414 -1.251) 3.840 2.751 ( -1.287 -1.161 -3.168) 3.611 2.881 ( 0.568 2.786 1.314) 3.132 3.012 ( -4.974 -2.707 3.785) 6.812 3.065 ( -0.021 1.953 -3.110) 3.673 3.171 ( -4.541 -0.828 -0.919) 4.707 3.238 ( -0.217 1.759 0.685) 1.900 3.303 ( 0.043 -2.175 -2.954) 3.669 3.338 ( 2.159 -1.874 1.446) 3.204 3.396 ( 0.958 -1.066 -0.737) 1.611 3.426 ( 2.940 -1.487 -0.998) 3.442 3.505 ( -4.052 -1.103 0.307) 4.211 3.584 ( -0.259 -0.153 1.117) 1.157 3.591 ( 0.215 -0.524 0.606) 0.830 3.768 ( -0.400 2.799 2.843) 4.010 3.833 ( -2.174 0.035 0.176) 2.181 3.986 ( 3.019 -0.252 -0.228) 3.039 4.059 ( -1.217 0.990 -0.421) 1.625 4.216 ( 1.483 -0.534 2.195) 2.702 4.280 ( -1.051 -0.453 0.088) 1.148 4.509 ( 3.568 -0.267 0.618) 3.631 4.676 ( -4.533 0.826 -0.155) 4.611 9.072 ( 2.881 1.660 0.176) 3.330 9.196 ( -3.824 1.633 -0.385) 4.176 9.800 ( 44.675 14.222 4.801) 47.129 11.187 ( -22.656 -0.135 -5.269) 23.261 12.433 ( 1.739 -0.589 0.042) 1.836 12.515 ( -3.528 -1.207 -0.126) 3.731 12.645 ( 3.840 0.973 0.306) 3.973 12.740 ( -1.864 0.557 -0.191) 1.955 13.477 ( 10.222 5.265 0.017) 11.498 14.148 ( -28.018 6.241 -2.162) 28.786 15.181 ( -1.110 1.294 0.559) 1.794 15.195 ( -1.023 0.395 -0.082) 1.100 17.099 ( -0.818 0.499 1.070) 1.436 17.126 ( 0.122 0.866 -1.823) 2.022 17.219 ( 0.270 -0.308 -0.530) 0.670 17.235 ( -1.804 -0.904 -0.111) 2.021 17.307 ( 0.411 -0.480 0.738) 0.971 17.331 ( 0.576 -1.542 -0.105) 1.650 17.598 ( 5.379 -0.716 0.453) 5.445 17.724 ( -2.088 -0.418 0.123) 2.133 19.882 ( 4.577 2.520 3.169) 6.111 20.210 ( -8.352 -0.436 -2.260) 8.664 20.354 ( -0.509 -0.853 1.543) 1.835 20.447 ( -1.735 -0.814 -4.152) 4.573 27.177 ( 1.763 0.482 -0.024) 1.828 27.239 ( -1.733 0.325 0.055) 1.764 27.461 ( -0.060 0.314 0.886) 0.942 27.483 ( 0.146 0.051 -0.942) 0.955 30.381 ( 3.467 -1.374 0.971) 3.854 30.519 ( -2.580 -1.005 -1.007) 2.946 33.214 ( 0.205 -1.939 0.860) 2.131 33.225 ( -0.686 0.534 1.562) 1.787 33.653 ( 0.466 1.117 0.647) 1.372 33.729 ( -0.171 -3.220 -3.401) 4.686 34.184 ( 3.125 1.129 1.023) 3.476 34.441 ( -7.757 2.895 -2.951) 8.789 34.856 ( 6.083 1.670 5.439) 8.329 35.087 ( -0.814 -0.513 -4.076) 4.188 35.639 ( 2.109 -2.611 5.054) 6.067 35.860 ( -1.506 -1.082 -3.118) 3.628 40.078 ( -5.579 4.587 27.715) 28.640 40.730 ( 7.718 -1.193 -31.858) 32.801 45.369 ( -0.186 0.126 0.470) 0.521 45.380 ( -0.080 0.283 -0.492) 0.574 ======================= Grid point 183 (86/115) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( -6.650 0.538 7.288) 9.880 0.913 ( -4.375 6.173 -12.166) 14.327 1.311 ( 0.984 9.134 8.498) 12.515 1.326 ( -5.871 5.682 3.511) 8.892 1.395 ( -0.106 0.336 -3.598) 3.615 1.508 ( 1.784 4.392 -8.321) 9.576 1.771 ( 2.852 -2.710 -1.977) 4.403 1.786 ( 0.725 -2.835 1.298) 3.201 1.852 ( 1.898 -2.359 1.555) 3.404 1.983 ( -2.444 -1.286 -4.553) 5.325 2.034 ( 10.635 6.551 -0.488) 12.500 2.196 ( -1.048 -2.191 3.808) 4.516 2.201 ( 2.188 -1.628 -1.871) 3.307 2.253 ( -1.480 4.196 -0.658) 4.498 2.369 ( -1.706 -2.600 0.438) 3.140 2.381 ( -1.243 -2.535 0.554) 2.878 2.451 ( -0.548 -0.048 1.776) 1.859 2.591 ( -1.461 1.560 -4.642) 5.111 2.662 ( -2.659 5.048 2.444) 6.207 2.689 ( 2.388 0.606 -4.819) 5.412 2.859 ( 1.874 0.183 1.670) 2.517 2.955 ( -3.774 2.456 -2.121) 4.977 3.116 ( 0.743 -2.340 1.031) 2.663 3.150 ( -2.529 0.386 0.564) 2.620 3.237 ( 0.262 -1.035 1.718) 2.023 3.321 ( 0.501 -0.137 -4.903) 4.931 3.393 ( 3.541 -1.322 0.919) 3.890 3.419 ( -1.095 -0.680 1.186) 1.752 3.455 ( -0.153 -0.223 2.479) 2.494 3.516 ( -0.212 -1.604 -2.131) 2.676 3.606 ( 0.769 -1.686 1.437) 2.345 3.626 ( -0.053 -2.680 0.854) 2.813 3.716 ( 0.650 1.411 3.441) 3.776 3.806 ( -3.396 0.087 -0.855) 3.503 4.004 ( 2.965 0.731 -0.353) 3.074 4.022 ( -1.798 1.485 0.667) 2.425 4.236 ( 0.846 -0.113 2.821) 2.947 4.282 ( -0.121 -0.526 -0.721) 0.901 4.533 ( 3.196 0.478 0.083) 3.232 4.611 ( -4.538 2.195 -0.573) 5.073 9.056 ( 3.250 2.387 0.345) 4.047 9.124 ( -4.122 2.579 -0.687) 4.911 9.856 ( 49.312 18.455 11.269) 53.845 10.927 ( -41.558 3.616 -15.210) 44.402 12.466 ( 2.666 -1.148 0.131) 2.906 12.515 ( -3.423 -1.500 -0.210) 3.743 12.651 ( 3.378 1.273 0.571) 3.655 12.708 ( -2.470 1.084 -0.494) 2.742 13.452 ( 11.291 5.752 1.074) 12.717 13.813 ( -30.213 5.682 -4.851) 31.123 15.149 ( -0.247 1.815 0.827) 2.010 15.168 ( -1.046 1.554 -0.315) 1.899 17.080 ( -1.050 0.784 0.683) 1.477 17.100 ( 0.216 1.406 -1.962) 2.423 17.229 ( 0.826 -0.424 -0.400) 1.011 17.241 ( -1.369 -0.906 -0.150) 1.649 17.325 ( 1.031 -0.554 1.181) 1.663 17.359 ( -0.609 -1.339 -0.381) 1.519 17.655 ( 5.175 -1.103 0.501) 5.315 17.717 ( -2.358 -0.595 0.014) 2.432 19.879 ( 3.507 2.141 6.250) 7.480 20.165 ( -8.702 -1.616 -7.887) 11.855 20.378 ( -1.183 -1.935 1.609) 2.780 20.445 ( -2.322 -1.118 -4.845) 5.487 27.184 ( 2.289 0.164 -0.042) 2.296 27.219 ( -2.385 0.078 0.070) 2.387 27.453 ( 0.033 0.701 0.821) 1.080 27.477 ( -0.030 0.447 -1.192) 1.274 30.444 ( 2.751 -2.230 2.137) 4.136 30.529 ( -1.756 -2.053 -1.992) 3.356 33.220 ( -1.253 -0.389 3.262) 3.516 33.265 ( 0.836 -2.810 -1.363) 3.233 33.663 ( -0.862 -1.777 5.476) 5.822 33.804 ( 0.804 -5.161 -6.562) 8.387 34.171 ( 3.991 3.078 1.122) 5.164 34.306 ( -6.629 4.918 -3.162) 8.839 34.844 ( 4.037 4.443 8.271) 10.220 35.059 ( -0.362 2.208 -7.158) 7.499 35.719 ( 1.768 -3.103 6.106) 7.074 35.872 ( -0.438 -1.920 -4.498) 4.911 39.930 ( -5.102 12.015 30.151) 32.855 40.679 ( 7.260 7.006 -38.417) 39.719 45.367 ( -0.267 0.032 0.397) 0.480 45.374 ( -0.062 0.225 -0.361) 0.430 ======================= Grid point 184 (87/115) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -11.526 -6.217 9.954) 16.449 0.843 ( 3.854 -1.931 -2.260) 4.867 1.149 ( 1.123 9.333 8.385) 12.596 1.265 ( -4.893 -2.908 5.894) 8.194 1.409 ( 1.474 -0.227 -8.497) 8.627 1.434 ( 4.997 3.062 -9.359) 11.043 1.814 ( 0.991 1.336 1.423) 2.189 1.838 ( -3.863 -1.539 -0.268) 4.167 1.866 ( 7.609 9.393 1.476) 12.178 1.946 ( 0.240 -2.432 7.687) 8.066 1.978 ( -0.078 0.345 -4.447) 4.461 2.181 ( 0.335 1.658 -3.886) 4.238 2.223 ( -4.094 -2.512 1.974) 5.193 2.284 ( 2.531 -2.015 -2.933) 4.367 2.384 ( -6.197 0.367 1.354) 6.354 2.392 ( 2.245 -0.455 -2.112) 3.116 2.464 ( 0.678 -0.644 1.226) 1.542 2.529 ( -2.776 1.878 0.481) 3.386 2.594 ( 4.338 2.104 -3.484) 5.949 2.627 ( -2.415 5.648 -5.952) 8.553 2.862 ( -0.761 0.322 2.632) 2.759 2.915 ( 0.985 0.630 -2.421) 2.688 3.131 ( -1.379 0.060 2.010) 2.439 3.148 ( 2.361 -0.310 0.087) 2.383 3.228 ( -2.687 1.981 1.534) 3.674 3.308 ( 2.229 1.313 -4.821) 5.471 3.397 ( -2.748 1.287 2.753) 4.097 3.434 ( 2.112 0.123 -0.094) 2.118 3.464 ( 1.464 -0.865 2.543) 3.060 3.529 ( -0.161 -0.219 -2.670) 2.683 3.612 ( 0.507 0.657 2.788) 2.909 3.645 ( -0.431 0.350 -0.341) 0.652 3.773 ( -6.267 -3.544 3.703) 8.096 3.851 ( 7.424 -4.943 -3.160) 9.462 3.983 ( -1.968 0.528 2.354) 3.113 4.006 ( 2.121 1.446 0.013) 2.567 4.263 ( 0.143 -3.201 3.725) 4.914 4.316 ( 1.327 -4.014 -1.678) 4.548 4.524 ( -2.572 1.456 1.146) 3.170 4.551 ( 0.721 1.585 -1.396) 2.232 9.033 ( 1.538 2.242 0.526) 2.769 9.047 ( -1.905 2.733 -0.759) 3.417 9.767 ( 7.115 24.894 23.072) 34.679 10.355 ( -12.222 26.102 -34.376) 44.860 12.513 ( 1.002 -1.599 0.445) 1.939 12.521 ( -0.895 -1.624 -0.361) 1.889 12.643 ( 0.096 1.486 1.068) 1.832 12.667 ( -0.065 1.665 -1.226) 2.069 13.410 ( 0.179 5.877 4.155) 7.199 13.534 ( -1.476 7.300 -8.587) 11.367 15.110 ( -0.882 1.958 1.043) 2.388 15.131 ( 1.228 2.124 -0.873) 2.604 17.065 ( -1.026 -0.108 0.422) 1.115 17.082 ( 0.513 0.364 -1.284) 1.430 17.242 ( 1.012 -0.161 -0.059) 1.026 17.245 ( -1.162 -0.455 -0.305) 1.285 17.340 ( -0.134 -0.201 1.870) 1.885 17.369 ( -0.510 -0.397 -1.003) 1.193 17.702 ( -0.263 -1.098 1.010) 1.515 17.721 ( 0.603 -1.121 -0.796) 1.501 19.851 ( -1.124 3.986 8.721) 9.655 20.083 ( -0.988 4.965 -14.276) 15.147 20.406 ( -2.358 -1.804 1.524) 3.337 20.445 ( 1.088 -0.629 -2.538) 2.833 27.202 ( -0.784 -0.365 0.309) 0.918 27.207 ( 0.663 -0.460 -0.203) 0.833 27.439 ( -0.041 0.884 0.852) 1.229 27.462 ( -0.077 0.902 -1.445) 1.705 30.494 ( -0.893 -1.772 3.411) 3.946 30.565 ( 1.207 -2.279 -3.331) 4.213 33.229 ( -1.578 -0.807 4.609) 4.938 33.319 ( 1.336 -2.476 -3.764) 4.699 33.723 ( -1.981 -4.147 9.043) 10.144 33.897 ( 2.046 -4.542 -7.762) 9.223 34.138 ( 4.185 3.630 0.790) 5.596 34.163 ( -5.140 5.011 -1.962) 7.442 34.791 ( 2.631 4.947 8.622) 10.282 34.966 ( -1.774 5.609 -8.961) 10.720 35.790 ( -2.876 -3.686 7.032) 8.444 35.915 ( 1.499 -2.992 -5.414) 6.365 39.675 ( -6.741 15.526 31.108) 35.415 40.413 ( 3.691 18.939 -41.982) 46.204 45.366 ( -0.324 -0.046 0.302) 0.446 45.372 ( 0.554 0.046 -0.278) 0.622 ======================= Grid point 187 (88/115) ======================= q-point: ( 0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -1.233 -0.000 -14.533) 14.586 0.857 ( -11.382 -0.000 -19.198) 22.319 1.069 ( -5.384 -0.000 10.261) 11.588 1.164 ( 5.289 0.000 7.127) 8.875 1.242 ( -0.433 -0.000 12.446) 12.454 1.636 ( 2.074 0.000 -4.414) 4.877 1.679 ( -8.967 -0.000 -7.064) 11.415 1.748 ( -4.806 -0.000 -2.985) 5.658 1.941 ( 7.580 0.000 14.932) 16.746 1.942 ( 1.654 0.000 -11.225) 11.346 2.008 ( 5.129 0.000 6.185) 8.035 2.054 ( -1.660 -0.000 3.283) 3.679 2.182 ( 0.778 0.000 1.525) 1.712 2.206 ( -0.306 -0.000 2.919) 2.935 2.350 ( -0.480 -0.000 -2.511) 2.557 2.361 ( 1.003 0.000 2.353) 2.557 2.471 ( -3.741 -0.000 -4.263) 5.672 2.566 ( 3.381 0.000 -1.850) 3.853 2.604 ( 7.361 0.000 -3.993) 8.374 2.677 ( 5.975 0.000 -0.931) 6.047 2.902 ( 2.294 0.000 2.899) 3.697 2.919 ( 0.436 0.000 -3.520) 3.547 3.090 ( -0.880 -0.000 -0.916) 1.270 3.161 ( 2.171 0.000 -2.992) 3.696 3.185 ( 0.883 0.000 5.105) 5.180 3.306 ( 1.357 0.000 -3.076) 3.362 3.314 ( -3.446 -0.000 -3.762) 5.102 3.358 ( -1.798 -0.000 0.827) 1.979 3.472 ( -2.786 -0.000 -0.068) 2.787 3.497 ( -1.700 -0.000 3.903) 4.257 3.634 ( -0.996 -0.000 -0.000) 0.996 3.666 ( 3.567 0.000 -4.483) 5.729 3.805 ( -5.121 -0.000 -0.390) 5.136 3.858 ( -8.126 -0.000 -0.064) 8.126 3.911 ( 1.608 0.000 -0.159) 1.616 3.944 ( -0.083 -0.000 2.230) 2.231 4.274 ( -14.094 -0.000 6.689) 15.600 4.314 ( -2.966 -0.000 0.773) 3.065 4.413 ( -1.980 -0.000 -0.052) 1.981 4.452 ( -3.585 -0.000 1.101) 3.750 9.048 ( 3.639 0.000 0.063) 3.640 9.060 ( 3.755 0.000 -0.086) 3.756 10.636 ( 84.897 0.000 -38.737) 93.317 11.047 ( 42.029 0.000 35.691) 55.139 12.463 ( -2.825 -0.000 1.250) 3.089 12.504 ( -2.816 -0.000 -1.479) 3.181 12.690 ( 2.470 0.000 0.804) 2.598 12.694 ( 3.061 0.000 -0.769) 3.156 13.963 ( 57.153 0.000 -21.129) 60.933 14.101 ( 47.293 0.000 25.172) 53.575 15.093 ( 1.918 0.000 0.175) 1.926 15.129 ( 2.899 0.000 0.313) 2.916 17.057 ( -1.510 -0.000 0.463) 1.579 17.114 ( 0.597 0.000 0.405) 0.722 17.216 ( 0.065 0.000 -0.451) 0.455 17.244 ( -4.162 -0.000 1.534) 4.436 17.280 ( 1.105 0.000 0.841) 1.388 17.380 ( -1.204 -0.000 -0.044) 1.205 17.619 ( -5.728 -0.000 -0.011) 5.728 17.703 ( -2.635 -0.000 -0.997) 2.817 19.964 ( 23.038 0.000 -9.303) 24.845 20.287 ( 20.352 0.000 22.454) 30.305 20.398 ( -0.234 -0.000 2.691) 2.701 20.620 ( 13.260 0.000 -5.188) 14.239 27.166 ( -2.110 -0.000 0.493) 2.167 27.217 ( -1.191 -0.000 -0.302) 1.229 27.417 ( 0.269 0.000 0.368) 0.456 27.429 ( 0.091 0.000 0.302) 0.315 30.479 ( -3.323 -0.000 3.887) 5.114 30.607 ( 0.025 0.000 -4.680) 4.680 33.267 ( -0.272 -0.000 7.352) 7.357 33.394 ( 2.604 0.000 -5.229) 5.841 33.787 ( -3.029 -0.000 5.230) 6.044 33.967 ( 1.708 0.000 -1.518) 2.285 34.051 ( -2.282 -0.000 1.409) 2.682 34.117 ( 2.065 0.000 -0.144) 2.070 34.562 ( -7.119 -0.000 4.134) 8.232 34.701 ( -2.885 -0.000 -0.815) 2.998 35.667 ( -8.736 -0.000 6.704) 11.012 35.910 ( -5.994 -0.000 -2.951) 6.681 39.081 ( -8.107 -0.000 19.043) 20.697 39.715 ( -0.653 -0.000 -5.846) 5.882 45.374 ( 0.763 0.000 0.541) 0.935 45.412 ( 1.350 0.000 -1.536) 2.045 ======================= Grid point 188 (89/115) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.649 ( 0.167 2.469 -6.285) 6.755 0.940 ( 1.994 -9.096 -9.795) 13.515 1.142 ( -1.917 3.082 4.715) 5.950 1.175 ( -1.934 -9.125 -3.253) 9.878 1.306 ( 4.626 -0.907 9.223) 10.358 1.568 ( -7.024 1.867 -2.783) 7.782 1.656 ( 2.122 -1.560 -2.235) 3.454 1.765 ( -8.257 -6.170 -4.318) 11.176 1.934 ( -0.767 1.846 4.320) 4.760 1.951 ( 2.792 -1.837 -9.504) 10.074 2.068 ( -1.299 0.859 2.940) 3.327 2.151 ( 8.498 -2.734 4.156) 9.847 2.162 ( 0.717 2.343 0.779) 2.571 2.223 ( 0.414 -2.000 5.788) 6.138 2.288 ( -2.376 2.351 -1.791) 3.793 2.378 ( -1.326 2.623 0.932) 3.083 2.422 ( -1.995 -0.285 -2.600) 3.289 2.596 ( 3.760 0.279 1.827) 4.190 2.613 ( 7.341 1.788 -0.389) 7.565 2.757 ( 3.540 -1.366 -0.185) 3.799 2.885 ( 1.679 0.549 -1.786) 2.511 2.956 ( 2.763 -1.388 0.399) 3.118 3.098 ( -0.165 -1.368 -1.358) 1.934 3.179 ( -1.018 -0.474 -1.932) 2.235 3.194 ( 0.446 -0.290 3.595) 3.634 3.266 ( -2.832 -0.036 0.726) 2.924 3.332 ( 1.637 -0.273 -4.123) 4.445 3.388 ( 0.093 -2.133 -0.269) 2.151 3.448 ( -0.304 -2.477 -1.589) 2.958 3.515 ( -5.030 -0.182 1.601) 5.282 3.609 ( 0.082 0.507 2.231) 2.289 3.660 ( -1.774 1.618 -1.422) 2.790 3.748 ( 0.217 1.622 -3.113) 3.517 3.832 ( -5.667 -1.284 1.389) 5.974 3.907 ( -1.545 -1.814 0.335) 2.406 3.989 ( -1.739 -1.332 -0.817) 2.338 4.188 ( -7.179 0.955 3.187) 7.912 4.251 ( -2.127 2.348 0.596) 3.224 4.419 ( -3.460 -2.116 2.332) 4.679 4.509 ( -1.881 -5.421 0.098) 5.739 9.064 ( 3.921 0.425 0.212) 3.949 9.121 ( 3.371 -2.577 -0.406) 4.262 10.540 ( 72.219 39.005 -6.063) 82.302 11.532 ( 12.579 -7.080 4.984) 15.271 12.443 ( -1.963 0.365 0.754) 2.134 12.491 ( -2.761 -0.836 -1.025) 3.061 12.687 ( 2.840 1.375 0.031) 3.155 12.729 ( 1.548 -0.897 -0.071) 1.790 13.908 ( 44.858 23.492 -0.042) 50.637 14.759 ( 36.539 -6.258 1.541) 37.103 15.105 ( 1.463 -0.618 0.381) 1.633 15.225 ( 8.287 -5.089 -0.175) 9.726 17.050 ( -0.684 -0.279 0.676) 1.001 17.110 ( 0.726 0.751 0.591) 1.200 17.217 ( -3.958 0.258 1.016) 4.094 17.226 ( 0.672 -0.589 0.356) 0.962 17.288 ( 0.831 0.040 0.596) 1.024 17.365 ( -3.194 -0.050 -0.738) 3.278 17.566 ( -4.151 1.267 -0.292) 4.350 17.686 ( -2.920 -0.644 -0.541) 3.038 20.020 ( 18.581 5.393 -3.476) 19.658 20.366 ( -1.547 0.956 1.322) 2.248 20.514 ( 10.447 0.854 7.506) 12.892 20.820 ( 21.951 -4.796 2.007) 22.559 27.142 ( -1.064 0.520 0.472) 1.274 27.227 ( -1.138 -1.519 -0.172) 1.906 27.425 ( 0.414 -0.593 0.204) 0.751 27.442 ( 0.023 -0.933 0.114) 0.940 30.450 ( -2.429 1.330 2.825) 3.956 30.598 ( -0.385 0.153 -3.947) 3.969 33.258 ( -0.622 1.914 7.121) 7.399 33.392 ( 2.376 1.437 -5.056) 5.769 33.767 ( -1.631 1.288 7.829) 8.100 33.989 ( 0.836 -2.032 -0.308) 2.218 34.017 ( 0.528 2.893 -3.408) 4.501 34.197 ( 0.916 -6.116 0.620) 6.215 34.548 ( -6.437 -3.929 0.032) 7.541 34.739 ( -3.933 -5.970 1.792) 7.370 35.613 ( -6.062 0.949 6.530) 8.960 35.857 ( -5.725 0.113 -4.386) 7.212 39.229 ( -6.197 -16.244 20.961) 27.233 39.845 ( -3.077 -15.016 -11.790) 19.338 45.380 ( 0.738 0.121 0.756) 1.063 45.413 ( 1.086 0.496 -1.416) 1.853 ======================= Grid point 189 (90/115) ======================= q-point: ( 0.44 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 11.628 -11.368 1.013) 16.293 1.058 ( 6.166 4.554 1.856) 7.887 1.153 ( -0.759 -10.203 2.364) 10.501 1.344 ( -1.459 -10.581 -8.732) 13.796 1.367 ( 5.812 -2.246 2.362) 6.664 1.513 ( -6.135 -1.019 1.918) 6.508 1.711 ( 4.340 -2.059 0.567) 4.837 1.825 ( -6.901 -4.943 -3.423) 9.153 1.929 ( -1.267 -0.539 1.915) 2.359 1.991 ( -1.456 5.094 -3.730) 6.480 2.016 ( 1.585 -4.486 -8.360) 9.620 2.090 ( -0.635 4.245 0.619) 4.337 2.156 ( 3.184 1.687 -2.949) 4.656 2.211 ( -3.134 3.386 -1.228) 4.774 2.283 ( -2.291 1.618 0.709) 2.893 2.314 ( -4.534 -2.077 2.726) 5.684 2.485 ( 3.878 -0.663 2.013) 4.419 2.573 ( 5.717 2.936 1.040) 6.510 2.686 ( 5.326 -2.783 7.591) 9.682 2.749 ( -0.020 2.747 0.760) 2.850 2.898 ( 1.850 -0.375 -2.014) 2.760 2.985 ( -0.215 0.745 1.325) 1.536 3.120 ( 0.226 -1.513 -0.698) 1.681 3.185 ( -0.365 -1.481 1.544) 2.170 3.230 ( -1.804 1.092 0.846) 2.272 3.251 ( 0.050 -2.998 -0.090) 3.000 3.330 ( -0.816 -0.766 -4.705) 4.836 3.397 ( -0.325 0.590 -0.231) 0.712 3.481 ( -3.066 -0.924 1.003) 3.356 3.531 ( -1.648 -0.670 -3.068) 3.546 3.579 ( 1.279 0.240 -0.483) 1.388 3.644 ( -0.757 -0.173 0.091) 0.782 3.736 ( 1.792 -0.575 -1.593) 2.466 3.807 ( -7.477 0.140 3.829) 8.402 3.924 ( -1.017 -0.146 -1.047) 1.467 3.978 ( -2.137 -2.002 -0.849) 3.049 4.151 ( -2.271 -0.686 1.001) 2.575 4.239 ( -2.274 -1.434 -0.368) 2.714 4.439 ( -0.197 -1.279 3.624) 3.848 4.588 ( -2.237 -4.356 -0.446) 4.918 9.089 ( 4.423 0.295 0.148) 4.435 9.187 ( 1.414 -2.321 -0.320) 2.737 10.403 ( 65.165 28.543 -1.494) 71.158 11.573 ( -2.238 4.724 1.632) 5.476 12.426 ( -0.672 0.347 0.212) 0.785 12.486 ( -2.957 -0.940 -0.433) 3.133 12.682 ( 3.082 1.379 -0.020) 3.376 12.748 ( 0.249 -0.442 -0.000) 0.507 13.823 ( 35.008 16.888 0.774) 38.876 14.869 ( 11.086 9.091 -0.139) 14.338 15.138 ( 0.797 -1.530 0.379) 1.766 15.297 ( 0.374 2.516 -1.768) 3.098 17.062 ( -0.445 -1.161 0.701) 1.427 17.106 ( 0.304 0.356 0.673) 0.820 17.182 ( -3.870 -0.080 0.976) 3.992 17.241 ( 0.542 -0.204 0.310) 0.657 17.293 ( 0.626 0.018 0.160) 0.646 17.333 ( -3.643 0.263 -1.572) 3.976 17.537 ( 0.520 0.129 0.207) 0.575 17.684 ( -2.949 -1.358 -0.136) 3.250 20.052 ( 14.433 4.063 -1.608) 15.080 20.329 ( -2.221 1.505 1.152) 2.920 20.516 ( 7.933 5.383 -0.462) 9.598 20.863 ( 4.471 11.339 4.247) 12.907 27.147 ( 1.242 -0.837 0.488) 1.575 27.244 ( -1.031 -1.054 -0.094) 1.477 27.443 ( 0.261 -0.792 0.472) 0.958 27.458 ( -0.002 -0.809 -0.393) 0.899 30.411 ( -0.026 1.987 1.369) 2.413 30.575 ( -1.572 1.108 -2.578) 3.217 33.222 ( -1.000 2.077 6.079) 6.502 33.354 ( 1.317 3.062 -4.223) 5.380 33.741 ( -0.913 2.030 7.735) 8.049 33.926 ( 1.801 6.247 -6.953) 9.519 34.055 ( 1.718 -3.709 0.451) 4.112 34.331 ( -1.727 -7.549 -0.200) 7.746 34.624 ( -1.059 -6.984 -1.705) 7.267 34.846 ( -4.481 -7.758 3.240) 9.527 35.573 ( -3.355 0.564 6.117) 7.000 35.817 ( -4.352 -0.757 -4.929) 6.619 39.583 ( -6.299 -20.020 24.260) 32.078 40.126 ( -1.260 -18.536 -20.016) 27.309 45.382 ( 0.461 0.275 0.781) 0.948 45.406 ( 0.751 0.677 -1.096) 1.491 ======================= Grid point 191 (91/115) ======================= q-point: ( 0.56 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 4.643 3.037 3.961) 6.817 1.110 ( 6.774 -3.366 -5.298) 9.235 1.312 ( 1.839 -4.949 7.393) 9.085 1.443 ( 0.924 -1.977 -8.528) 8.803 1.497 ( -3.230 -4.048 6.321) 8.172 1.588 ( 5.334 -8.520 0.724) 10.078 1.793 ( -4.724 1.913 2.607) 5.725 1.814 ( 1.848 -5.973 0.190) 6.255 1.875 ( 2.559 4.645 -7.624) 9.287 1.939 ( 4.486 -0.434 -4.808) 6.590 2.003 ( -0.060 4.385 0.762) 4.451 2.093 ( -2.336 -3.541 -4.165) 5.945 2.104 ( -1.410 4.637 -0.871) 4.924 2.188 ( -5.593 -1.122 -1.511) 5.901 2.260 ( 4.069 -2.754 -2.570) 5.545 2.347 ( -5.709 -3.742 1.292) 6.948 2.483 ( 1.508 -0.223 3.391) 3.717 2.556 ( 1.663 1.615 0.097) 2.320 2.657 ( 1.991 5.293 1.166) 5.774 2.836 ( 2.954 -4.499 5.360) 7.596 2.888 ( -0.294 3.757 0.339) 3.784 2.943 ( -2.776 -0.314 -1.818) 3.333 3.157 ( 1.742 -0.159 -1.102) 2.067 3.195 ( -2.613 0.078 -0.161) 2.619 3.221 ( 0.030 -2.757 2.041) 3.430 3.297 ( -0.733 -0.050 -0.114) 0.743 3.347 ( -2.022 -1.028 -1.712) 2.842 3.371 ( 2.746 0.314 -1.719) 3.255 3.425 ( -2.785 6.042 -3.192) 7.379 3.475 ( -4.026 -0.814 0.566) 4.147 3.599 ( 1.567 0.508 -1.013) 1.934 3.628 ( -2.527 1.751 0.982) 3.227 3.768 ( 0.992 -2.125 0.702) 2.448 3.792 ( -2.643 -2.400 2.715) 4.485 3.942 ( 1.689 -1.746 -0.222) 2.439 4.020 ( -1.553 -3.161 -0.939) 3.645 4.170 ( 0.419 -1.503 0.681) 1.702 4.245 ( -2.703 -1.201 0.114) 2.960 4.481 ( 2.971 -1.342 2.847) 4.328 4.633 ( -3.736 -2.823 -0.375) 4.697 9.114 ( 4.670 0.670 -0.033) 4.718 9.216 ( -1.523 -0.710 0.072) 1.682 10.394 ( 56.192 20.374 -0.826) 59.777 11.380 ( -13.651 9.064 0.505) 16.394 12.423 ( 0.634 -0.005 0.065) 0.637 12.480 ( -3.005 -0.777 -0.163) 3.108 12.682 ( 3.286 1.135 0.052) 3.476 12.749 ( -1.046 0.012 -0.042) 1.047 13.779 ( 27.959 12.818 -0.125) 30.758 14.602 ( -13.236 17.509 -0.405) 21.952 15.168 ( -0.258 -1.279 0.579) 1.427 15.225 ( -3.692 1.201 -1.450) 4.144 17.085 ( -0.336 -1.262 0.819) 1.542 17.104 ( -0.988 -0.876 0.138) 1.327 17.182 ( -1.131 -1.275 0.811) 1.887 17.237 ( -0.607 0.422 -0.782) 1.077 17.298 ( 0.284 -0.134 -0.100) 0.330 17.309 ( -1.137 0.134 -0.620) 1.302 17.564 ( 3.730 -0.985 0.554) 3.897 17.689 ( -3.048 -1.444 -0.057) 3.373 20.058 ( 12.044 5.607 -0.921) 13.317 20.280 ( -4.084 1.929 1.086) 4.646 20.450 ( 4.231 6.045 -0.873) 7.429 20.604 ( -5.454 12.124 2.058) 13.453 27.179 ( 2.329 -0.651 0.354) 2.444 27.248 ( -1.299 -0.218 -0.069) 1.319 27.456 ( -0.240 -0.497 1.026) 1.165 27.472 ( 0.405 -0.643 -0.925) 1.197 30.387 ( 2.387 1.509 0.898) 2.964 30.529 ( -2.953 1.381 -1.737) 3.694 33.195 ( -0.787 0.993 4.648) 4.817 33.294 ( 0.356 3.032 -2.702) 4.076 33.705 ( -1.207 1.873 4.956) 5.434 33.810 ( 2.364 6.164 -6.735) 9.431 34.142 ( 3.224 -3.148 1.559) 4.768 34.413 ( -7.091 -4.540 -2.585) 8.807 34.774 ( 6.502 -6.096 0.569) 8.931 34.956 ( -4.199 -6.565 1.456) 7.928 35.570 ( -0.720 -0.807 6.275) 6.368 35.804 ( -3.458 -1.621 -4.898) 6.211 39.902 ( -7.069 -13.844 26.131) 30.405 40.421 ( 3.839 -15.253 -25.416) 29.889 45.379 ( 0.143 0.354 0.685) 0.784 45.397 ( 0.398 0.622 -0.821) 1.104 ======================= Grid point 192 (92/115) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 4.747 6.282 3.643) 8.676 1.107 ( -2.196 3.715 -7.396) 8.563 1.398 ( -0.970 -2.296 4.377) 5.037 1.449 ( 4.255 1.423 -2.997) 5.395 1.523 ( -1.953 1.160 3.681) 4.325 1.631 ( -2.366 1.350 -1.917) 3.331 1.794 ( 3.852 1.325 -2.439) 4.748 1.853 ( -2.552 -1.053 -2.508) 3.729 1.873 ( 3.455 2.901 0.531) 4.543 1.920 ( 4.231 2.403 -3.659) 6.088 2.030 ( -0.796 0.107 -0.583) 0.992 2.048 ( -1.221 -0.269 -0.791) 1.480 2.116 ( 4.288 -5.623 -2.613) 7.539 2.174 ( -7.468 -6.139 1.172) 9.738 2.335 ( 0.204 0.820 2.719) 2.847 2.396 ( 3.167 -3.899 -2.142) 5.461 2.517 ( 3.533 1.554 3.338) 5.103 2.585 ( 1.398 -3.334 0.656) 3.674 2.635 ( -3.068 -2.312 0.299) 3.853 2.751 ( -4.027 4.372 -4.959) 7.741 2.906 ( 0.772 -0.516 4.035) 4.141 2.958 ( -0.031 -1.231 -0.459) 1.314 3.119 ( -0.224 3.667 -1.353) 3.915 3.152 ( -3.843 2.727 -0.564) 4.746 3.270 ( 0.271 -0.482 -1.409) 1.514 3.283 ( -0.382 3.332 -1.328) 3.607 3.304 ( 1.074 -2.736 2.293) 3.728 3.367 ( -1.247 -2.052 -1.039) 2.617 3.424 ( 3.576 -1.203 -1.844) 4.199 3.459 ( -4.150 -0.851 -0.012) 4.236 3.590 ( 0.223 0.750 0.355) 0.859 3.592 ( -1.011 0.681 0.915) 1.524 3.803 ( 0.648 0.109 1.829) 1.944 3.815 ( -1.661 -0.989 1.767) 2.619 3.992 ( 2.709 -1.384 0.325) 3.059 4.049 ( -1.685 -1.017 -1.188) 2.299 4.210 ( 1.689 -1.517 1.286) 2.609 4.250 ( -2.360 -1.354 0.509) 2.768 4.535 ( 4.603 -0.821 1.965) 5.072 4.638 ( -4.721 -1.045 -0.555) 4.867 9.129 ( 4.400 1.409 0.048) 4.621 9.192 ( -3.804 0.986 -0.053) 3.931 10.438 ( 47.743 16.196 2.704) 50.488 11.066 ( -27.162 7.401 -3.117) 28.325 12.436 ( 1.715 -0.474 0.108) 1.782 12.473 ( -2.798 -0.768 -0.167) 2.906 12.688 ( 3.167 0.842 0.317) 3.292 12.733 ( -2.050 0.365 -0.252) 2.097 13.745 ( 24.066 10.957 -0.695) 26.452 14.134 ( -27.693 13.742 -0.412) 30.918 15.180 ( -1.175 -0.349 1.054) 1.617 15.199 ( -0.406 0.230 -1.120) 1.213 17.099 ( -0.478 -0.342 1.301) 1.427 17.124 ( 0.100 -1.041 -1.158) 1.560 17.200 ( -0.629 -1.090 0.513) 1.358 17.222 ( -0.543 0.258 -1.176) 1.320 17.300 ( -0.252 -0.264 0.760) 0.843 17.313 ( 0.293 -0.729 -0.469) 0.915 17.619 ( 4.923 -1.184 0.523) 5.090 17.689 ( -3.499 -1.093 -0.020) 3.666 20.018 ( 8.265 6.509 2.191) 10.746 20.178 ( -7.615 3.432 -1.313) 8.455 20.371 ( 0.428 2.836 2.124) 3.568 20.449 ( -1.301 2.647 -2.842) 4.096 27.200 ( 2.273 0.245 0.164) 2.292 27.234 ( -1.838 0.425 -0.037) 1.887 27.463 ( -0.244 -0.206 1.020) 1.069 27.482 ( 0.351 -0.220 -0.925) 1.013 30.396 ( 3.415 0.068 1.308) 3.658 30.486 ( -3.298 0.190 -1.679) 3.706 33.193 ( -0.207 -0.569 2.993) 3.054 33.244 ( -0.369 1.892 -0.737) 2.064 33.684 ( -0.623 -0.087 0.658) 0.910 33.717 ( 1.456 4.093 -3.514) 5.587 34.216 ( 4.722 -1.134 2.483) 5.455 34.398 ( -8.059 -0.686 -3.671) 8.882 34.905 ( 5.648 -1.956 3.442) 6.897 35.029 ( -2.232 -3.937 -2.358) 5.103 35.615 ( 1.484 -2.371 7.030) 7.566 35.806 ( -2.855 -1.908 -5.079) 6.131 40.074 ( -6.575 -5.180 26.578) 27.865 40.640 ( 6.592 -8.431 -28.245) 30.205 45.374 ( -0.072 0.323 0.580) 0.668 45.387 ( 0.160 0.496 -0.639) 0.825 ======================= Grid point 193 (93/115) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 4.568 9.704 5.031) 11.847 0.963 ( -5.930 5.824 -7.964) 11.512 1.392 ( -1.215 4.821 2.246) 5.456 1.411 ( -3.608 1.068 3.099) 4.875 1.465 ( 1.310 4.906 0.523) 5.105 1.580 ( 3.596 2.396 -8.784) 9.790 1.761 ( -0.931 1.631 1.413) 2.350 1.793 ( 0.201 3.178 -1.930) 3.724 1.852 ( 2.017 -0.469 0.014) 2.071 1.934 ( 1.056 -0.789 -7.009) 7.132 2.070 ( -5.540 -4.046 1.937) 7.128 2.100 ( 6.481 -4.487 -1.322) 7.993 2.230 ( -1.346 -3.751 2.748) 4.841 2.287 ( 3.100 -5.244 -2.543) 6.601 2.330 ( 0.003 0.052 0.902) 0.904 2.367 ( -2.011 5.500 -2.030) 6.198 2.491 ( 3.476 4.274 5.751) 7.964 2.600 ( -3.588 1.114 -3.918) 5.428 2.658 ( 0.635 -1.405 3.143) 3.501 2.709 ( -3.311 -0.780 -1.896) 3.895 2.935 ( 4.498 3.288 1.734) 5.835 2.958 ( -2.309 -0.452 0.193) 2.360 3.080 ( 2.389 -0.461 -0.372) 2.461 3.101 ( -2.702 -2.339 -2.111) 4.151 3.239 ( -0.254 0.794 0.846) 1.188 3.297 ( 1.589 -1.681 -4.506) 5.065 3.376 ( 1.454 -2.606 1.509) 3.344 3.390 ( -1.567 -1.543 0.056) 2.200 3.440 ( -2.634 -0.417 1.183) 2.917 3.478 ( 2.647 -2.088 -2.150) 3.999 3.585 ( 0.047 -0.504 1.249) 1.348 3.590 ( -0.438 -0.782 0.742) 1.163 3.778 ( 0.400 2.834 2.895) 4.071 3.806 ( -1.354 0.932 0.393) 1.690 4.026 ( 0.572 -0.009 0.001) 0.572 4.033 ( -0.387 0.669 -0.715) 1.053 4.244 ( 1.303 -0.468 1.877) 2.332 4.262 ( -1.301 -1.214 0.137) 1.785 4.572 ( 1.488 0.548 2.035) 2.580 4.608 ( -1.617 0.672 -1.395) 2.239 9.119 ( 0.048 2.076 1.019) 2.313 9.141 ( -0.049 1.942 -1.175) 2.271 10.408 ( -1.033 13.812 17.613) 22.406 10.780 ( 0.522 4.937 -17.947) 18.621 12.463 ( 0.158 -1.011 0.356) 1.083 12.472 ( -0.112 -0.916 -0.480) 1.040 12.688 ( -0.266 0.945 1.161) 1.520 12.711 ( 0.260 0.663 -1.043) 1.263 13.691 ( -1.610 10.051 3.127) 10.649 13.774 ( 2.076 7.135 -4.869) 8.884 15.168 ( -1.216 0.774 1.245) 1.905 15.192 ( 1.046 0.814 -0.944) 1.627 17.092 ( -0.549 0.822 1.228) 1.576 17.124 ( 0.429 0.948 -1.860) 2.131 17.214 ( -0.785 -0.957 0.236) 1.261 17.225 ( 0.711 -0.603 -0.766) 1.206 17.312 ( -0.393 -1.013 1.433) 1.799 17.332 ( 0.073 -1.223 -0.571) 1.352 17.672 ( 2.185 -0.626 0.541) 2.337 17.680 ( -1.967 -1.046 -0.192) 2.236 19.950 ( -2.186 3.560 7.539) 8.619 20.110 ( 2.470 0.523 -7.589) 7.998 20.356 ( -0.111 -0.121 2.551) 2.556 20.419 ( -0.478 -0.150 -3.635) 3.669 27.208 ( 2.038 0.537 0.062) 2.108 27.208 ( -2.090 0.529 0.027) 2.156 27.463 ( -0.131 0.220 0.893) 0.929 27.482 ( 0.125 0.223 -0.926) 0.960 30.427 ( -0.202 -1.230 2.512) 2.804 30.481 ( 0.331 -1.557 -2.616) 3.062 33.216 ( -1.057 0.215 1.445) 1.803 33.224 ( 0.501 -1.685 0.961) 2.003 33.666 ( 0.848 1.524 0.764) 1.904 33.714 ( -0.154 -3.400 -3.531) 4.904 34.254 ( 4.907 1.537 2.898) 5.902 34.322 ( -5.925 2.318 -3.776) 7.398 34.936 ( 1.066 1.613 6.260) 6.552 35.060 ( 0.198 -0.583 -6.046) 6.077 35.686 ( -0.027 -2.522 7.589) 7.997 35.819 ( -0.666 -2.138 -5.480) 5.920 40.090 ( -5.991 3.619 28.537) 29.383 40.723 ( 6.160 -0.578 -32.232) 32.820 45.369 ( -0.151 0.220 0.484) 0.553 45.379 ( 0.192 0.343 -0.513) 0.646 ======================= Grid point 194 (94/115) ======================= q-point: (-0.11 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 0.296 8.792 8.730) 12.394 0.848 ( 0.127 0.879 -5.962) 6.027 1.264 ( -4.167 4.454 6.354) 8.807 1.327 ( -0.519 7.462 5.424) 9.239 1.435 ( 5.363 1.706 -3.779) 6.779 1.529 ( 4.529 4.304 -9.550) 11.413 1.757 ( -3.358 -2.536 -0.269) 4.216 1.806 ( 2.523 -3.357 -1.956) 4.632 1.902 ( 3.109 -2.425 0.604) 3.988 1.927 ( -2.208 1.175 -4.659) 5.288 2.084 ( -6.954 -2.869 -1.624) 7.696 2.173 ( 2.715 4.650 -0.034) 5.385 2.237 ( 0.982 0.007 -0.040) 0.983 2.267 ( 2.082 0.080 -2.004) 2.891 2.352 ( -0.057 1.689 1.909) 2.549 2.368 ( 0.010 -1.731 1.429) 2.244 2.453 ( -1.008 0.534 5.428) 5.547 2.536 ( -1.758 1.547 -2.694) 3.569 2.644 ( -1.685 1.426 -0.751) 2.332 2.714 ( 1.628 2.066 -2.452) 3.596 2.870 ( -2.788 2.271 1.144) 3.774 2.933 ( 2.713 1.014 -0.920) 3.039 3.118 ( -0.380 -1.269 0.348) 1.370 3.158 ( 2.701 -1.041 0.766) 2.995 3.234 ( -0.478 0.387 0.983) 1.160 3.328 ( 2.402 -0.456 -4.818) 5.402 3.389 ( -3.487 -0.248 1.085) 3.660 3.434 ( 0.293 -2.353 -0.045) 2.372 3.441 ( -0.585 -1.184 2.637) 2.949 3.527 ( 2.023 -0.516 -2.058) 2.931 3.606 ( -1.294 -0.999 1.446) 2.183 3.634 ( 1.016 -2.845 0.042) 3.021 3.735 ( -0.640 2.054 1.957) 2.909 3.800 ( 3.971 -2.715 -0.317) 4.820 3.987 ( -3.097 1.373 0.846) 3.492 4.039 ( 1.724 0.795 -0.601) 1.992 4.252 ( 0.384 0.194 2.239) 2.280 4.277 ( -0.062 -1.149 -1.130) 1.613 4.524 ( -5.456 1.638 0.851) 5.759 4.607 ( 4.572 1.835 -0.194) 4.931 9.060 ( -3.694 2.393 0.027) 4.401 9.116 ( 3.911 2.812 0.057) 4.818 9.892 ( -54.835 17.425 9.304) 58.284 10.862 ( 44.955 6.581 -10.754) 46.690 12.469 ( -2.571 -1.249 -0.131) 2.861 12.513 ( 3.554 -1.453 -0.059) 3.840 12.651 ( -3.650 1.248 0.580) 3.900 12.708 ( 2.692 1.126 -0.500) 2.960 13.454 ( -12.029 5.626 0.941) 13.313 13.799 ( 30.730 6.758 -3.678) 31.679 15.140 ( -0.773 1.608 0.997) 2.044 15.180 ( 2.441 1.548 -0.824) 3.006 17.070 ( -0.496 1.070 0.946) 1.512 17.101 ( 0.694 1.310 -1.509) 2.115 17.225 ( -0.786 -0.750 0.004) 1.086 17.243 ( 1.245 -0.553 -0.339) 1.404 17.324 ( -2.040 -0.596 1.329) 2.507 17.357 ( 0.662 -1.160 -0.196) 1.350 17.659 ( -4.864 -1.019 0.122) 4.971 17.717 ( 2.582 -0.736 -0.060) 2.686 19.884 ( -6.185 1.856 6.409) 9.098 20.154 ( 11.907 -0.355 -7.996) 14.347 20.369 ( -0.754 -0.961 2.492) 2.775 20.430 ( 1.388 -1.468 -3.117) 3.715 27.182 ( -2.473 0.227 0.119) 2.487 27.220 ( 2.311 0.047 0.043) 2.312 27.455 ( -0.140 0.670 0.874) 1.110 27.473 ( 0.067 0.564 -1.100) 1.238 30.446 ( -3.516 -2.122 1.950) 4.546 30.531 ( 2.962 -2.252 -2.100) 4.273 33.211 ( -1.489 -0.473 3.226) 3.584 33.274 ( 1.122 -2.723 -1.415) 3.268 33.673 ( -0.339 -1.467 5.531) 5.732 33.796 ( 1.190 -5.594 -6.751) 8.848 34.205 ( -4.821 3.765 -2.046) 6.449 34.255 ( 5.742 4.256 1.659) 7.337 34.898 ( -0.978 3.456 7.004) 7.871 35.024 ( -0.492 3.332 -7.623) 8.334 35.718 ( -5.370 -2.032 6.416) 8.610 35.865 ( 2.233 -2.721 -4.153) 5.444 39.948 ( -6.892 11.907 31.531) 34.402 40.627 ( 3.506 8.897 -36.743) 37.967 45.365 ( -0.090 0.103 0.360) 0.385 45.377 ( 0.566 0.089 -0.433) 0.718 ======================= Grid point 198 (95/115) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -3.409 -0.000 -19.029) 19.332 0.781 ( -0.550 -0.000 -13.311) 13.322 1.066 ( 1.736 0.000 4.999) 5.292 1.171 ( -2.133 -0.000 2.238) 3.092 1.312 ( -0.686 -0.000 4.482) 4.534 1.551 ( -11.763 -0.000 -4.364) 12.547 1.603 ( 2.311 0.000 2.146) 3.154 1.702 ( 1.179 0.000 -2.243) 2.533 1.912 ( -2.354 -0.000 -3.112) 3.902 1.984 ( -0.331 -0.000 4.823) 4.834 2.051 ( 1.091 0.000 -1.058) 1.519 2.193 ( 0.318 0.000 0.072) 0.326 2.193 ( 6.592 0.000 2.676) 7.114 2.230 ( 2.685 0.000 9.438) 9.813 2.347 ( 0.985 0.000 -1.353) 1.674 2.361 ( -1.278 -0.000 0.416) 1.344 2.389 ( -4.332 -0.000 -1.860) 4.714 2.615 ( 3.880 0.000 -1.326) 4.101 2.712 ( 8.217 0.000 -4.185) 9.222 2.741 ( 2.667 0.000 1.242) 2.942 2.919 ( 1.399 0.000 -2.576) 2.931 2.958 ( 3.722 0.000 3.109) 4.850 3.076 ( 0.226 0.000 -2.513) 2.523 3.155 ( -3.410 -0.000 -3.056) 4.579 3.210 ( 0.117 0.000 4.168) 4.169 3.245 ( -1.134 -0.000 0.019) 1.134 3.341 ( -0.682 -0.000 0.340) 0.762 3.358 ( 4.777 0.000 -5.170) 7.039 3.436 ( -2.213 -0.000 -0.314) 2.236 3.469 ( -3.986 -0.000 3.170) 5.092 3.626 ( -0.818 -0.000 1.907) 2.075 3.661 ( -5.524 -0.000 -0.174) 5.527 3.737 ( -3.857 -0.000 -0.101) 3.858 3.758 ( -0.562 -0.000 -4.119) 4.157 3.927 ( 0.477 0.000 0.340) 0.586 3.939 ( -1.385 -0.000 1.882) 2.337 4.173 ( -3.679 -0.000 4.506) 5.817 4.285 ( -1.663 -0.000 -0.686) 1.799 4.393 ( -0.875 -0.000 0.060) 0.877 4.401 ( -3.424 -0.000 1.338) 3.677 9.101 ( 3.405 0.000 -0.023) 3.405 9.113 ( 3.176 0.000 -0.134) 3.179 11.384 ( 36.231 0.000 -23.160) 43.001 11.465 ( 7.197 0.000 22.371) 23.500 12.432 ( -2.018 -0.000 1.344) 2.424 12.465 ( -1.735 -0.000 -1.512) 2.301 12.720 ( 1.334 0.000 0.664) 1.490 12.727 ( 1.884 0.000 -0.822) 2.055 14.795 ( 60.421 0.000 -29.231) 67.121 14.809 ( 29.460 0.000 28.467) 40.967 15.131 ( 5.117 0.000 -2.294) 5.607 15.185 ( 3.827 0.000 5.738) 6.897 17.045 ( -0.024 -0.000 0.574) 0.574 17.124 ( 0.529 0.000 0.481) 0.715 17.195 ( -3.123 -0.000 1.316) 3.389 17.229 ( 1.648 0.000 0.052) 1.648 17.295 ( 0.466 0.000 0.858) 0.977 17.331 ( -5.179 -0.000 -1.777) 5.475 17.548 ( -3.196 -0.000 0.617) 3.255 17.658 ( -3.002 -0.000 -1.338) 3.287 20.217 ( 13.673 0.000 -8.596) 16.150 20.364 ( -2.091 -0.000 1.292) 2.458 20.663 ( 11.885 0.000 35.370) 37.313 20.925 ( 34.748 0.000 -20.645) 40.419 27.142 ( -1.325 -0.000 0.794) 1.544 27.194 ( -1.604 -0.000 -0.475) 1.673 27.425 ( 0.789 0.000 -0.059) 0.792 27.431 ( 0.011 0.000 0.417) 0.417 30.447 ( -2.793 -0.000 4.385) 5.199 30.589 ( -0.129 -0.000 -5.553) 5.554 33.290 ( -0.374 -0.000 8.101) 8.109 33.414 ( 2.498 0.000 -4.990) 5.580 33.784 ( -0.229 -0.000 8.348) 8.351 33.987 ( 2.053 0.000 -2.466) 3.208 34.014 ( -3.439 -0.000 2.951) 4.531 34.136 ( 0.407 0.000 -0.774) 0.874 34.489 ( -4.888 -0.000 4.559) 6.684 34.638 ( -4.278 -0.000 -4.012) 5.865 35.593 ( -4.635 -0.000 6.380) 7.887 35.805 ( -5.796 -0.000 -5.155) 7.757 39.067 ( -2.861 -0.000 18.901) 19.117 39.650 ( -4.077 -0.000 -9.205) 10.067 45.388 ( 0.682 0.000 1.020) 1.227 45.423 ( 0.986 0.000 -1.632) 1.906 ======================= Grid point 200 (96/115) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 7.560 -8.470 -6.224) 12.947 0.913 ( -1.900 -12.491 -9.865) 16.029 1.134 ( 2.976 -1.754 0.029) 3.455 1.170 ( 0.544 -3.093 -3.140) 4.441 1.342 ( -3.332 -3.873 0.577) 5.142 1.536 ( -9.292 -7.840 -0.527) 12.169 1.563 ( 2.649 4.657 4.321) 6.883 1.734 ( 1.617 -1.226 0.032) 2.029 1.889 ( -4.263 0.018 2.311) 4.849 2.004 ( 4.803 -1.334 -2.302) 5.491 2.050 ( -1.938 1.822 0.721) 2.756 2.166 ( -1.113 3.747 0.282) 3.919 2.197 ( -0.248 0.590 -1.648) 1.768 2.239 ( -3.032 0.224 -2.577) 3.986 2.263 ( 0.823 4.311 -1.506) 4.640 2.353 ( -1.379 2.859 0.192) 3.180 2.461 ( 5.977 -5.268 6.956) 10.577 2.661 ( 3.917 -0.879 2.592) 4.778 2.717 ( 5.809 2.191 -2.047) 6.538 2.777 ( -0.007 -0.137 0.533) 0.550 2.902 ( 1.882 1.166 -2.088) 3.043 3.008 ( 2.548 -0.065 1.749) 3.092 3.091 ( -0.184 -1.356 -1.761) 2.231 3.148 ( -0.036 -2.707 -1.563) 3.126 3.209 ( -0.726 -0.610 1.949) 2.168 3.245 ( -1.457 0.595 1.499) 2.173 3.324 ( -0.584 1.552 -1.713) 2.384 3.397 ( 0.723 -0.353 -0.306) 0.861 3.443 ( -3.088 -1.130 0.931) 3.417 3.446 ( -1.820 -3.316 -2.668) 4.629 3.591 ( -1.908 0.638 0.786) 2.160 3.629 ( -1.593 -0.219 0.494) 1.683 3.737 ( -3.650 -1.442 2.135) 4.468 3.774 ( 1.309 -0.035 -3.941) 4.153 3.901 ( -0.375 0.198 1.450) 1.511 3.955 ( -2.291 -0.028 -0.385) 2.323 4.145 ( -0.650 1.048 2.269) 2.583 4.219 ( -2.392 2.037 -0.136) 3.144 4.405 ( 0.120 -2.544 1.852) 3.149 4.478 ( -2.067 -5.695 -0.502) 6.079 9.118 ( 3.206 0.018 0.204) 3.213 9.156 ( 1.449 -1.842 -0.357) 2.371 11.268 ( 29.412 20.024 1.630) 35.619 11.615 ( 0.794 0.676 -0.774) 1.299 12.423 ( -1.217 -0.115 1.121) 1.659 12.456 ( -1.389 -0.391 -1.277) 1.926 12.720 ( 1.717 0.729 0.090) 1.868 12.742 ( 0.442 -0.330 -0.207) 0.589 14.632 ( 45.313 30.391 6.252) 54.918 15.065 ( 10.442 3.113 -2.737) 11.234 15.123 ( 0.729 -0.004 0.131) 0.741 15.358 ( 6.317 1.629 -2.999) 7.180 17.049 ( 0.649 0.008 0.522) 0.834 17.122 ( 0.065 0.709 0.883) 1.134 17.165 ( -3.162 0.838 1.081) 3.445 17.242 ( 0.447 -0.164 -0.435) 0.645 17.296 ( -2.051 -0.328 -1.494) 2.559 17.298 ( -1.531 -0.297 -0.101) 1.563 17.539 ( 0.221 -0.377 0.800) 0.912 17.639 ( -3.075 -0.735 -0.857) 3.276 20.233 ( 10.628 4.349 -3.179) 11.915 20.338 ( -2.909 1.077 1.279) 3.355 20.724 ( 10.687 5.803 16.192) 20.250 21.100 ( 19.585 7.665 -12.440) 24.436 27.141 ( 0.644 -0.709 0.682) 1.176 27.204 ( -1.760 -1.821 -0.332) 2.555 27.435 ( 0.855 -0.431 -0.168) 0.972 27.441 ( -0.179 -0.784 0.192) 0.827 30.435 ( -0.931 0.346 3.510) 3.648 30.574 ( -0.751 0.506 -4.886) 4.969 33.273 ( -0.814 2.444 7.680) 8.101 33.406 ( 1.775 1.936 -4.931) 5.587 33.786 ( 0.269 1.679 9.414) 9.566 33.989 ( -1.325 0.082 1.622) 2.096 34.028 ( 3.399 -0.772 -4.989) 6.086 34.177 ( -3.622 -5.330 -0.550) 6.468 34.504 ( 0.156 -4.831 1.294) 5.003 34.669 ( -5.647 -6.548 -0.326) 8.653 35.572 ( -2.712 0.415 6.226) 6.804 35.763 ( -4.176 -0.517 -5.773) 7.144 39.239 ( -2.237 -15.165 20.493) 25.592 39.751 ( -3.059 -14.811 -13.941) 20.569 45.391 ( 0.399 0.234 1.063) 1.159 45.422 ( 0.772 0.535 -1.484) 1.756 ======================= Grid point 201 (97/115) ======================= q-point: ( 0.56 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 6.530 -8.135 -0.824) 10.464 1.067 ( -3.288 -7.895 -0.191) 8.555 1.201 ( 2.696 -3.929 0.161) 4.768 1.294 ( 1.819 -9.660 -10.958) 14.721 1.464 ( 4.433 -9.093 0.686) 10.140 1.510 ( 5.067 3.724 10.719) 12.428 1.678 ( -9.684 -11.894 -2.770) 15.586 1.755 ( -0.921 -1.025 -1.146) 1.793 1.866 ( -5.519 -1.125 3.585) 6.676 1.966 ( 0.508 3.838 -6.000) 7.141 2.037 ( -4.854 2.680 4.269) 6.998 2.080 ( 5.011 1.793 -3.565) 6.406 2.172 ( -0.933 2.348 -2.485) 3.544 2.208 ( 3.430 2.496 -4.170) 5.948 2.241 ( -2.249 -2.313 -0.226) 3.234 2.268 ( -1.152 2.757 -0.848) 3.106 2.558 ( 4.489 2.458 2.687) 5.780 2.643 ( 1.436 5.573 -0.519) 5.779 2.744 ( 1.292 -4.305 4.463) 6.334 2.791 ( 4.797 1.481 3.316) 6.017 2.909 ( -0.546 -1.105 -2.278) 2.590 2.955 ( -2.359 4.146 -0.397) 4.786 3.147 ( 2.483 -2.342 1.050) 3.572 3.188 ( 0.737 -0.502 0.057) 0.894 3.190 ( -2.512 0.150 1.608) 2.986 3.274 ( -0.737 -3.394 -2.000) 4.008 3.288 ( -0.074 0.123 -0.387) 0.413 3.390 ( -2.289 0.311 -1.347) 2.674 3.445 ( -0.330 -0.305 -0.241) 0.510 3.479 ( -3.103 0.379 -1.812) 3.613 3.615 ( 1.858 -1.512 0.174) 2.402 3.624 ( -1.440 0.159 0.979) 1.748 3.724 ( -5.064 -1.134 4.583) 6.923 3.763 ( 2.756 0.768 -3.124) 4.236 3.915 ( 0.012 -1.728 0.363) 1.765 3.949 ( -1.225 -2.187 -1.050) 2.718 4.150 ( 0.853 -1.038 1.560) 2.059 4.202 ( -2.252 -1.117 -0.552) 2.574 4.467 ( 1.948 -2.694 2.964) 4.454 4.550 ( -2.170 -3.650 -1.411) 4.474 9.147 ( 3.257 -0.376 0.298) 3.293 9.187 ( -1.280 -1.191 -0.179) 1.758 11.134 ( 32.274 18.338 1.766) 37.162 11.467 ( -11.056 10.668 -1.620) 15.449 12.423 ( -0.238 -0.341 0.925) 1.014 12.452 ( -1.113 -0.348 -1.017) 1.547 12.720 ( 2.088 0.753 -0.017) 2.219 12.742 ( -0.974 0.137 -0.010) 0.984 14.409 ( 36.776 25.855 5.275) 45.264 14.894 ( -6.984 22.507 -5.007) 24.092 15.142 ( -0.116 -1.265 0.360) 1.320 15.209 ( -7.421 2.256 -2.589) 8.177 17.060 ( 0.559 -0.836 0.550) 1.146 17.092 ( -2.174 0.552 0.328) 2.267 17.162 ( 0.681 -0.775 1.510) 1.829 17.234 ( -1.535 0.118 -1.808) 2.375 17.295 ( -0.152 -0.398 -0.622) 0.754 17.298 ( -0.277 -0.246 0.067) 0.376 17.570 ( 3.299 -1.235 0.673) 3.587 17.636 ( -3.381 -1.420 -0.351) 3.683 20.227 ( 8.988 3.576 -1.337) 9.765 20.287 ( -4.546 1.841 1.360) 5.090 20.669 ( 8.025 9.097 4.373) 12.895 20.857 ( 0.459 20.139 -5.319) 20.835 27.177 ( 2.405 -1.440 0.500) 2.848 27.221 ( -1.945 -1.336 -0.261) 2.374 27.446 ( -0.194 -0.462 0.693) 0.856 27.459 ( 0.553 -0.945 -0.788) 1.350 30.431 ( 1.622 0.922 2.252) 2.924 30.536 ( -2.067 1.733 -3.504) 4.422 33.230 ( -0.910 2.356 6.561) 7.031 33.354 ( 0.670 3.409 -4.314) 5.539 33.753 ( -1.156 2.982 8.054) 8.666 33.924 ( 1.087 4.998 -6.766) 8.482 34.106 ( 4.683 -3.660 1.256) 6.075 34.252 ( -6.522 -6.206 -2.666) 9.389 34.678 ( 7.002 -9.180 0.621) 11.562 34.772 ( -6.688 -8.653 2.057) 11.128 35.566 ( -0.694 -0.220 6.664) 6.704 35.744 ( -2.702 -1.123 -6.193) 6.849 39.585 ( -4.841 -18.416 23.771) 30.457 40.065 ( 3.059 -20.387 -21.133) 29.523 45.389 ( 0.084 0.415 0.908) 1.002 45.411 ( 0.456 0.762 -1.162) 1.462 ======================= Grid point 202 (98/115) ======================= q-point: (-0.33 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 1.881 0.812 2.962) 3.602 1.148 ( 1.366 1.932 -8.435) 8.761 1.315 ( -4.727 -7.872 4.943) 10.428 1.453 ( 4.356 -4.803 -8.053) 10.339 1.507 ( 0.871 0.117 9.665) 9.705 1.626 ( 0.556 -1.173 -1.184) 1.757 1.749 ( -3.087 -3.227 3.247) 5.522 1.838 ( 1.203 -5.051 -2.392) 5.717 1.882 ( -5.039 -2.984 0.435) 5.872 1.961 ( 1.598 -1.781 -5.756) 6.234 1.973 ( 0.106 -2.524 1.919) 3.172 2.078 ( 2.997 1.144 -3.070) 4.441 2.090 ( -2.937 3.602 -0.712) 4.701 2.133 ( 1.588 4.943 -3.645) 6.344 2.267 ( -4.624 -4.071 2.093) 6.506 2.327 ( 4.344 -4.319 -2.324) 6.551 2.529 ( 2.283 2.112 1.596) 3.496 2.562 ( 0.986 0.902 -1.544) 2.042 2.733 ( 6.858 6.648 2.774) 9.946 2.790 ( -7.931 4.722 -2.566) 9.580 2.878 ( -0.624 -2.827 4.644) 5.472 2.960 ( 3.406 -1.026 -3.163) 4.760 3.155 ( -1.861 0.863 0.729) 2.178 3.182 ( 1.242 1.091 -1.228) 2.059 3.249 ( 2.363 -3.408 2.381) 4.782 3.290 ( -4.629 -2.525 -0.883) 5.347 3.305 ( 1.567 1.900 1.166) 2.724 3.352 ( -1.445 2.108 -2.604) 3.649 3.416 ( -4.292 0.590 0.812) 4.408 3.441 ( 3.667 0.924 -1.756) 4.169 3.591 ( -2.859 0.549 2.161) 3.625 3.622 ( 1.818 1.624 -0.945) 2.614 3.763 ( -2.022 -3.258 2.839) 4.771 3.795 ( 1.731 -1.794 -0.137) 2.497 3.971 ( 1.866 -2.813 0.440) 3.404 3.992 ( -1.573 -3.031 -1.341) 3.669 4.190 ( 0.386 -2.006 1.589) 2.588 4.209 ( -0.972 -1.137 -0.192) 1.508 4.539 ( 2.380 -2.314 2.579) 4.204 4.581 ( -1.575 -1.832 -1.545) 2.868 9.171 ( -0.781 0.385 0.649) 1.086 9.181 ( 0.460 0.063 -0.324) 0.566 11.044 ( -28.004 11.908 0.501) 30.435 11.070 ( 28.999 19.220 -1.762) 34.834 12.433 ( -0.698 -0.661 0.920) 1.331 12.452 ( 0.622 -0.231 -0.931) 1.144 12.721 ( 0.184 0.867 0.244) 0.919 12.726 ( -0.166 0.277 -0.247) 0.407 14.191 ( -7.910 16.721 4.770) 19.103 14.311 ( 10.256 25.482 -6.746) 28.285 15.163 ( -0.300 -0.885 1.021) 1.384 15.186 ( -0.711 -0.897 -1.159) 1.629 17.086 ( 0.011 -0.791 0.674) 1.039 17.094 ( 0.393 -1.755 -0.121) 1.802 17.186 ( 0.857 -0.652 1.270) 1.665 17.218 ( -1.203 0.069 -1.720) 2.101 17.298 ( 0.082 0.036 0.160) 0.184 17.303 ( -0.121 -0.424 -0.270) 0.516 17.626 ( 3.440 -1.539 0.647) 3.823 17.637 ( -3.155 -1.470 -0.364) 3.500 20.183 ( -7.735 5.375 1.877) 9.604 20.221 ( 7.042 3.643 -1.546) 8.078 20.504 ( -6.473 9.604 1.391) 11.665 20.548 ( 9.440 11.571 -2.438) 15.131 27.214 ( 1.528 -0.470 0.402) 1.648 27.223 ( -1.330 -0.339 -0.328) 1.411 27.455 ( -0.426 -0.516 1.014) 1.215 27.476 ( 0.582 -0.561 -1.038) 1.316 30.429 ( 0.787 1.044 2.130) 2.500 30.482 ( -0.752 1.571 -2.875) 3.361 33.202 ( -0.499 1.043 4.965) 5.098 33.287 ( -0.070 3.085 -2.875) 4.218 33.699 ( -1.820 2.326 4.823) 5.655 33.821 ( 2.160 5.744 -6.599) 9.011 34.216 ( 4.916 -3.346 3.480) 6.890 34.293 ( -6.006 -3.804 -3.857) 8.088 34.860 ( -2.446 -5.970 2.899) 7.073 34.910 ( 3.946 -7.687 -1.764) 8.819 35.597 ( 0.809 -1.693 7.721) 7.946 35.744 ( -1.388 -1.690 -6.393) 6.757 39.889 ( -6.602 -13.584 25.171) 29.355 40.420 ( 8.059 -15.832 -25.657) 31.207 45.381 ( -0.120 0.445 0.722) 0.857 45.398 ( 0.186 0.688 -0.865) 1.121 ======================= Grid point 203 (99/115) ======================= q-point: (-0.22 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.611 4.924 0.847) 5.033 1.042 ( 0.351 6.389 -4.403) 7.767 1.377 ( -3.090 -2.020 2.633) 4.534 1.493 ( 2.539 3.248 -3.102) 5.159 1.516 ( -1.304 0.940 6.292) 6.494 1.619 ( 2.496 0.211 -4.614) 5.250 1.805 ( -2.912 -3.381 -1.593) 4.738 1.816 ( -4.210 5.175 0.763) 6.715 1.858 ( 1.120 1.994 -0.623) 2.371 1.938 ( -3.471 1.242 -2.821) 4.642 2.013 ( -1.840 -2.767 -0.251) 3.332 2.061 ( 2.838 -0.712 -1.326) 3.212 2.113 ( 2.878 -2.610 -2.244) 4.487 2.206 ( 6.759 -6.796 -2.147) 9.822 2.331 ( -2.600 -3.754 2.659) 5.284 2.394 ( -1.742 -0.215 -1.053) 2.047 2.534 ( -3.040 -3.170 1.168) 4.544 2.625 ( 0.116 3.196 -0.742) 3.283 2.636 ( 2.612 -0.721 0.724) 2.805 2.682 ( 1.280 3.047 -0.759) 3.391 2.907 ( -0.834 -1.876 2.659) 3.360 2.999 ( 4.710 -1.138 -3.022) 5.711 3.086 ( -3.327 4.311 1.379) 5.618 3.155 ( 3.452 3.382 -0.788) 4.897 3.261 ( -0.334 0.925 -0.541) 1.122 3.286 ( 1.396 0.721 -1.724) 2.332 3.336 ( 1.330 -2.411 1.389) 3.084 3.341 ( -1.237 -2.211 -0.719) 2.633 3.401 ( -3.685 -1.468 0.384) 3.985 3.472 ( 3.677 -0.895 -1.401) 4.035 3.578 ( -1.027 -0.281 1.504) 1.842 3.599 ( 0.484 1.407 0.217) 1.503 3.796 ( -1.672 -1.169 2.226) 3.019 3.820 ( 0.986 0.508 1.415) 1.798 4.011 ( -2.382 -0.908 -0.946) 2.719 4.032 ( 2.007 -1.458 -0.007) 2.481 4.217 ( -2.227 -2.044 0.634) 3.089 4.243 ( 2.081 -1.163 1.101) 2.626 4.557 ( -4.092 -0.309 0.248) 4.111 4.625 ( 5.066 -1.129 0.290) 5.199 9.125 ( -4.500 1.249 0.341) 4.682 9.195 ( 3.823 1.013 -0.292) 3.966 10.441 ( -48.808 15.586 2.419) 51.293 11.066 ( 28.945 8.576 -3.118) 30.349 12.435 ( -1.827 -0.610 0.217) 1.939 12.474 ( 2.863 -0.665 -0.234) 2.949 12.689 ( -3.251 0.869 0.229) 3.372 12.733 ( 2.174 0.338 -0.207) 2.210 13.737 ( -23.395 10.686 -0.026) 25.720 14.151 ( 28.898 14.596 -1.890) 32.430 15.171 ( -0.243 0.048 1.483) 1.504 15.200 ( 0.757 -0.525 -0.896) 1.285 17.099 ( 0.032 -0.218 1.231) 1.251 17.127 ( 0.737 -0.820 -1.358) 1.749 17.201 ( 0.385 -0.325 0.752) 0.905 17.216 ( 0.414 -0.616 -0.952) 1.207 17.299 ( -0.342 -0.206 0.839) 0.929 17.313 ( -0.073 -0.791 -0.443) 0.910 17.627 ( -4.735 -1.046 -0.211) 4.854 17.685 ( 3.667 -1.213 0.358) 3.879 19.999 ( -9.693 5.613 3.195) 11.647 20.201 ( 9.036 3.929 -2.655) 10.205 20.385 ( 0.140 2.572 1.936) 3.222 20.437 ( 1.722 4.178 -2.908) 5.373 27.203 ( -2.222 0.420 -0.079) 2.263 27.232 ( 1.896 0.345 0.108) 1.930 27.462 ( -0.331 -0.313 0.983) 1.084 27.483 ( 0.308 -0.054 -0.963) 1.013 30.402 ( -3.814 0.255 1.022) 3.957 30.480 ( 3.781 -0.095 -1.352) 4.017 33.202 ( -0.040 -0.518 3.125) 3.168 33.234 ( -0.538 1.801 -0.797) 2.042 33.671 ( -1.162 -0.317 0.567) 1.331 33.730 ( 1.693 4.294 -3.457) 5.767 34.265 ( -5.020 -0.979 -1.037) 5.219 34.330 ( 6.179 -0.871 1.491) 6.416 34.916 ( -5.530 -3.061 2.530) 6.808 35.038 ( 4.612 -2.642 -3.289) 6.250 35.648 ( -1.638 -1.952 6.710) 7.177 35.772 ( 2.008 -2.344 -4.651) 5.582 40.069 ( -6.404 -5.841 26.294) 27.686 40.651 ( 7.996 -7.036 -28.417) 30.347 45.374 ( -0.175 0.354 0.574) 0.696 45.387 ( 0.149 0.465 -0.657) 0.818 ======================= Grid point 204 (100/115) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -3.799 5.806 -1.616) 7.124 0.939 ( 7.498 8.434 1.705) 11.413 1.357 ( -2.122 6.147 1.020) 6.582 1.397 ( -0.757 0.638 3.924) 4.047 1.510 ( 3.155 1.792 0.428) 3.654 1.620 ( 4.502 3.089 -5.972) 8.092 1.712 ( -4.716 0.532 0.728) 4.802 1.794 ( -0.119 1.373 -1.731) 2.213 1.868 ( 1.940 -1.907 -3.214) 4.211 1.915 ( -0.875 -0.834 -5.115) 5.256 2.015 ( -2.090 -0.087 -0.105) 2.094 2.137 ( -2.043 -5.233 0.727) 5.665 2.218 ( 1.411 -4.376 -1.388) 4.803 2.272 ( -4.441 5.765 -0.099) 7.278 2.331 ( 1.974 -2.492 -0.694) 3.254 2.381 ( 0.523 -1.720 1.620) 2.420 2.548 ( -1.554 0.836 -3.398) 3.829 2.599 ( 5.797 5.720 3.441) 8.842 2.626 ( -3.568 -0.032 -0.227) 3.576 2.677 ( -0.409 -3.291 3.389) 4.742 2.914 ( -2.880 3.266 -1.531) 4.615 2.996 ( 1.347 2.960 2.446) 4.070 3.092 ( 4.219 -2.832 -3.275) 6.045 3.146 ( 4.078 -1.309 1.252) 4.462 3.249 ( 1.932 0.388 -0.336) 1.999 3.313 ( 1.964 -1.789 -3.616) 4.487 3.354 ( -2.723 -0.920 -0.160) 2.878 3.384 ( -1.099 -2.328 0.131) 2.578 3.406 ( -2.068 -1.500 1.182) 2.815 3.522 ( 3.696 -1.810 -1.419) 4.353 3.587 ( -0.209 -0.659 0.883) 1.121 3.590 ( -0.118 -0.868 0.787) 1.177 3.783 ( -0.670 1.965 1.342) 2.472 3.811 ( 1.362 0.827 2.258) 2.763 3.987 ( -2.993 0.856 -0.398) 3.138 4.059 ( 1.651 0.043 -0.350) 1.688 4.239 ( -1.777 -1.455 0.184) 2.304 4.270 ( 1.247 -0.243 1.006) 1.621 4.513 ( -4.937 1.263 0.216) 5.101 4.669 ( 4.909 0.701 0.472) 4.981 9.073 ( -3.020 1.513 0.098) 3.380 9.193 ( 3.840 2.123 -0.168) 4.391 9.812 ( -47.364 13.488 3.848) 49.397 11.162 ( 24.873 1.716 -3.183) 25.134 12.434 ( -1.707 -0.734 -0.054) 1.859 12.514 ( 3.566 -1.151 -0.068) 3.748 12.645 ( -3.961 1.039 0.272) 4.104 12.740 ( 1.953 0.527 -0.201) 2.032 13.475 ( -10.147 5.075 0.142) 11.346 14.150 ( 28.683 7.326 -2.281) 29.691 15.163 ( 0.149 1.007 1.361) 1.700 15.212 ( 1.846 0.107 -0.759) 1.999 17.093 ( 0.017 1.054 1.348) 1.711 17.126 ( 0.648 0.879 -1.593) 1.931 17.210 ( -0.001 -0.456 0.292) 0.541 17.239 ( 1.631 -0.871 -0.548) 1.929 17.302 ( -1.510 -0.424 1.143) 1.941 17.332 ( -0.079 -1.494 -0.158) 1.505 17.605 ( -5.293 -0.648 -0.230) 5.338 17.724 ( 2.167 -0.555 0.169) 2.244 19.879 ( -5.775 1.853 3.362) 6.934 20.220 ( 9.690 0.416 -3.198) 10.213 20.369 ( 0.862 0.373 2.037) 2.243 20.408 ( 0.868 -0.589 -2.584) 2.788 27.176 ( -1.856 0.660 0.025) 1.970 27.238 ( 1.713 0.291 0.092) 1.740 27.463 ( -0.253 0.146 0.910) 0.956 27.480 ( 0.131 0.333 -0.915) 0.983 30.384 ( -3.903 -1.341 0.674) 4.181 30.518 ( 3.208 -1.244 -0.936) 3.566 33.204 ( -1.208 0.398 1.603) 2.046 33.235 ( 0.612 -1.882 0.787) 2.130 33.679 ( 0.380 0.929 0.490) 1.117 33.705 ( 0.653 -3.086 -3.328) 4.586 34.218 ( -4.625 1.577 -2.201) 5.360 34.375 ( 7.844 2.418 3.191) 8.807 34.909 ( -5.790 -0.297 1.790) 6.068 35.068 ( 2.307 1.438 -3.544) 4.466 35.658 ( -5.226 -1.116 4.145) 6.763 35.835 ( 3.405 -2.208 -1.765) 4.425 40.094 ( -6.624 3.211 28.517) 29.452 40.698 ( 5.207 1.926 -31.154) 31.645 45.368 ( -0.062 0.200 0.452) 0.498 45.382 ( 0.369 0.174 -0.538) 0.675 ======================= Grid point 210 (101/115) ======================= q-point: ( 0.44 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 4.103 0.000 -11.980) 12.663 0.722 ( -2.841 -0.000 -9.179) 9.609 1.133 ( -4.328 -0.000 3.956) 5.864 1.141 ( 6.845 0.000 -2.456) 7.272 1.288 ( 1.697 0.000 -6.332) 6.555 1.345 ( -12.522 -0.000 -2.979) 12.871 1.706 ( 4.990 0.000 6.176) 7.940 1.719 ( 0.694 0.000 1.167) 1.357 1.884 ( 0.575 0.000 4.242) 4.281 1.996 ( 0.066 0.000 4.321) 4.321 2.064 ( 0.822 0.000 -1.840) 2.016 2.177 ( -5.335 -0.000 -0.028) 5.335 2.200 ( -7.181 -0.000 -6.668) 9.799 2.203 ( 1.879 0.000 -1.374) 2.328 2.352 ( -0.340 -0.000 1.564) 1.600 2.361 ( 1.117 0.000 -0.863) 1.412 2.452 ( 7.050 0.000 9.997) 12.233 2.664 ( 3.464 0.000 -2.954) 4.553 2.767 ( 0.564 0.000 0.922) 1.081 2.779 ( 2.600 0.000 -4.353) 5.071 2.947 ( 2.349 0.000 0.766) 2.470 3.018 ( 2.418 0.000 2.587) 3.541 3.069 ( -6.099 -0.000 -1.852) 6.374 3.100 ( 4.798 0.000 -4.782) 6.775 3.214 ( -0.882 -0.000 2.669) 2.811 3.236 ( -1.348 -0.000 0.694) 1.516 3.341 ( 0.244 0.000 0.496) 0.553 3.390 ( 1.032 0.000 -3.661) 3.803 3.409 ( -4.841 -0.000 2.592) 5.492 3.413 ( 0.058 0.000 -0.683) 0.686 3.593 ( -1.541 -0.000 1.720) 2.309 3.612 ( -2.577 -0.000 3.245) 4.144 3.695 ( -2.063 -0.000 0.802) 2.214 3.770 ( 2.549 0.000 -6.119) 6.629 3.924 ( -1.209 -0.000 1.729) 2.110 3.931 ( 0.134 0.000 0.444) 0.464 4.171 ( 1.185 0.000 2.754) 2.998 4.250 ( -2.442 -0.000 -1.545) 2.889 4.374 ( -0.753 -0.000 1.270) 1.476 4.385 ( -0.180 -0.000 -0.087) 0.200 9.139 ( 1.565 0.000 -0.067) 1.566 9.145 ( 1.101 0.000 -0.194) 1.117 11.515 ( -7.586 -0.000 16.410) 18.078 11.677 ( 15.681 0.000 -13.858) 20.927 12.414 ( -0.998 -0.000 1.426) 1.741 12.445 ( -0.400 -0.000 -1.466) 1.520 12.733 ( 0.171 0.000 0.613) 0.637 12.744 ( 0.838 0.000 -0.769) 1.137 15.084 ( 4.706 0.000 7.597) 8.936 15.110 ( 1.664 0.000 -0.081) 1.666 15.240 ( -8.303 -0.000 21.539) 23.084 15.512 ( 39.375 0.000 -27.597) 48.083 17.073 ( 3.906 0.000 0.441) 3.930 17.126 ( -1.134 -0.000 0.655) 1.309 17.161 ( -2.087 -0.000 0.934) 2.287 17.220 ( -3.977 -0.000 -2.956) 4.955 17.279 ( 1.760 0.000 -0.386) 1.802 17.297 ( -0.645 -0.000 0.561) 0.855 17.536 ( 0.774 0.000 1.574) 1.754 17.610 ( -2.595 -0.000 -1.805) 3.161 20.324 ( 5.376 0.000 -4.331) 6.904 20.326 ( -4.053 -0.000 1.700) 4.395 20.832 ( -5.609 -0.000 35.072) 35.518 21.410 ( 41.367 0.000 -38.594) 56.575 27.135 ( 0.092 0.000 1.087) 1.091 27.171 ( -1.177 -0.000 -0.764) 1.403 27.432 ( -0.129 -0.000 0.349) 0.372 27.438 ( 1.073 0.000 -0.679) 1.270 30.432 ( -1.298 -0.000 5.066) 5.229 30.568 ( 0.186 0.000 -6.408) 6.410 33.307 ( -1.164 -0.000 8.015) 8.099 33.431 ( 1.985 0.000 -4.827) 5.219 33.841 ( 3.177 0.000 11.683) 12.107 33.979 ( -2.595 -0.000 3.689) 4.510 34.010 ( 2.246 0.000 -3.051) 3.789 34.111 ( -3.080 -0.000 -3.117) 4.382 34.447 ( -3.051 -0.000 4.470) 5.411 34.569 ( -2.198 -0.000 -5.688) 6.098 35.570 ( -1.561 -0.000 6.156) 6.351 35.723 ( -2.515 -0.000 -5.832) 6.351 39.120 ( 1.254 0.000 18.863) 18.905 39.553 ( -3.601 -0.000 -12.699) 13.200 45.398 ( 0.148 0.000 1.210) 1.219 45.430 ( 0.673 0.000 -1.703) 1.831 ======================= Grid point 211 (102/115) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( -0.875 -12.813 -1.174) 12.897 0.846 ( -1.429 -11.759 -8.593) 14.634 1.148 ( -3.074 -4.383 -0.665) 5.395 1.187 ( 2.431 -1.172 -3.283) 4.250 1.338 ( 5.619 -7.041 -1.539) 9.139 1.387 ( -3.123 -8.083 -5.593) 10.314 1.680 ( 4.557 4.814 7.461) 9.980 1.727 ( -3.878 0.088 1.606) 4.198 1.863 ( -0.085 2.706 6.747) 7.270 2.013 ( -1.611 3.133 -1.854) 3.981 2.072 ( 0.161 -0.040 3.298) 3.302 2.090 ( -4.286 0.130 -3.909) 5.802 2.172 ( -2.588 -2.167 -1.936) 3.891 2.210 ( 2.291 0.872 -2.895) 3.793 2.294 ( 2.473 4.437 0.545) 5.109 2.335 ( -0.632 3.797 -2.040) 4.356 2.572 ( 4.594 -4.587 6.357) 9.086 2.692 ( -0.977 -0.296 -3.872) 4.005 2.754 ( 3.166 2.594 0.349) 4.108 2.789 ( -0.171 -1.960 -1.658) 2.573 2.931 ( 1.213 1.913 2.553) 3.413 2.991 ( -2.851 1.842 -2.739) 4.361 3.110 ( 0.879 -5.133 2.163) 5.639 3.160 ( -0.330 -1.386 -1.247) 1.893 3.195 ( 0.687 0.603 1.063) 1.402 3.225 ( -1.470 0.291 -0.545) 1.594 3.328 ( 1.538 2.046 1.728) 3.088 3.382 ( -1.736 0.741 -1.583) 2.463 3.416 ( -1.510 -2.817 -1.213) 3.419 3.418 ( 0.723 -1.709 -0.105) 1.859 3.584 ( -2.381 -0.451 2.419) 3.424 3.618 ( 1.829 -1.010 -0.480) 2.143 3.691 ( -3.600 -0.383 4.258) 5.589 3.794 ( 2.275 -0.645 -4.889) 5.431 3.907 ( 0.901 0.978 1.578) 2.064 3.928 ( -1.190 0.238 -0.077) 1.216 4.167 ( 2.441 1.528 1.034) 3.059 4.187 ( -1.513 1.741 -0.604) 2.385 4.415 ( -0.674 -3.767 2.621) 4.638 4.459 ( 0.820 -4.985 -1.820) 5.370 9.152 ( 1.025 -0.690 0.199) 1.251 9.157 ( -1.081 -0.873 -0.292) 1.420 11.405 ( -13.135 6.165 14.136) 20.258 11.673 ( 11.432 8.502 -11.501) 18.310 12.414 ( -0.511 -0.284 1.438) 1.553 12.444 ( 0.374 -0.223 -1.427) 1.492 12.733 ( -0.468 0.058 0.543) 0.719 12.745 ( 0.392 0.277 -0.600) 0.769 14.959 ( -15.025 17.914 22.160) 32.214 15.120 ( -0.802 -0.390 0.007) 0.892 15.139 ( -2.177 -0.326 0.170) 2.208 15.465 ( 22.246 24.138 -24.115) 40.731 17.080 ( 1.514 1.475 0.617) 2.202 17.096 ( -0.117 1.583 -0.838) 1.795 17.160 ( 0.634 -0.819 2.033) 2.282 17.210 ( -1.565 -0.777 -2.718) 3.232 17.289 ( -0.499 -0.088 0.257) 0.568 17.295 ( 0.928 -0.114 -0.393) 1.014 17.566 ( 2.507 -1.497 1.278) 3.187 17.595 ( -2.117 -0.516 -1.398) 2.589 20.281 ( -6.023 1.296 2.182) 6.536 20.326 ( 4.342 2.244 -2.054) 5.301 20.791 ( -11.161 3.711 22.086) 25.023 21.383 ( 28.649 22.867 -34.256) 50.171 27.162 ( 1.637 -1.901 0.779) 2.627 27.178 ( -1.401 -1.404 -0.653) 2.088 27.437 ( -0.410 -0.448 0.219) 0.645 27.448 ( 1.101 -0.501 -0.840) 1.473 30.444 ( 0.133 -0.647 4.280) 4.330 30.549 ( -0.021 1.163 -5.669) 5.787 33.283 ( -1.387 2.472 7.570) 8.083 33.410 ( 1.097 2.561 -4.798) 5.548 33.830 ( 0.641 4.047 10.434) 11.209 33.967 ( -1.619 0.874 -1.259) 2.229 34.078 ( 3.452 -3.254 -1.539) 4.988 34.110 ( -2.445 -4.172 -2.718) 5.548 34.535 ( 0.292 -9.415 3.396) 10.013 34.596 ( -1.213 -5.023 -2.354) 5.678 35.573 ( -0.048 0.035 6.608) 6.608 35.706 ( -0.717 -0.433 -6.105) 6.162 39.294 ( -0.161 -12.673 20.532) 24.129 39.683 ( 1.557 -17.139 -16.810) 24.057 45.397 ( -0.129 0.291 1.118) 1.163 45.425 ( 0.392 0.573 -1.600) 1.744 ======================= Grid point 212 (103/115) ======================= q-point: (-0.33 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( -2.437 -7.284 -2.528) 8.086 1.025 ( -3.037 -13.977 5.428) 15.298 1.185 ( -1.511 0.515 -4.719) 4.981 1.317 ( 2.423 -11.766 -8.842) 14.917 1.519 ( -3.796 -8.187 -4.061) 9.896 1.569 ( 4.747 -7.854 2.807) 9.596 1.633 ( -0.047 3.391 8.837) 9.465 1.709 ( 0.503 -3.412 1.039) 3.602 1.823 ( -2.334 0.492 4.033) 4.686 1.938 ( -7.995 2.732 2.029) 8.689 1.979 ( 2.937 0.143 -3.996) 4.961 2.137 ( -2.989 2.685 0.736) 4.084 2.163 ( 6.071 3.129 -2.569) 7.297 2.201 ( -0.308 1.556 -2.771) 3.193 2.246 ( 1.091 2.474 -1.446) 3.066 2.297 ( 5.222 -2.304 -3.297) 6.592 2.605 ( -2.823 2.943 -0.907) 4.177 2.624 ( 1.257 4.762 0.591) 4.961 2.791 ( 0.254 -0.754 1.073) 1.336 2.815 ( -1.239 -2.160 0.241) 2.501 2.884 ( -0.083 2.148 0.449) 2.196 2.966 ( 3.949 1.329 -2.330) 4.774 3.145 ( -1.750 -0.275 2.115) 2.759 3.196 ( -3.355 -2.041 0.631) 3.978 3.201 ( -1.352 -1.717 0.846) 2.343 3.224 ( 3.626 -0.979 -1.036) 3.896 3.323 ( -0.855 0.214 -0.574) 1.052 3.360 ( 3.055 0.773 -0.593) 3.207 3.426 ( -2.324 0.277 1.124) 2.596 3.472 ( 1.822 -0.650 -0.747) 2.074 3.575 ( -3.803 -0.288 3.107) 4.919 3.645 ( -0.293 -0.024 0.146) 0.329 3.692 ( -0.819 -2.927 3.064) 4.316 3.800 ( 3.609 0.894 -2.706) 4.598 3.925 ( 0.582 -1.713 0.433) 1.861 3.938 ( 0.483 -2.212 -0.692) 2.367 4.158 ( -1.116 -0.525 1.096) 1.650 4.194 ( 1.958 -1.062 -0.125) 2.231 4.488 ( -0.860 -3.617 1.707) 4.091 4.542 ( 2.514 -3.077 -1.357) 4.199 9.149 ( -3.585 -0.108 0.104) 3.588 9.181 ( 0.961 -1.360 0.331) 1.698 11.069 ( -35.691 14.904 6.014) 39.142 11.536 ( 15.174 13.225 -6.127) 21.040 12.418 ( -0.664 -0.282 1.084) 1.302 12.455 ( 1.768 -0.435 -1.009) 2.082 12.718 ( -2.151 0.600 0.138) 2.237 12.744 ( 0.991 0.245 -0.133) 1.030 14.365 ( -38.736 22.981 7.321) 45.631 14.986 ( 13.855 23.466 -10.949) 29.369 15.153 ( 0.078 -1.255 -0.255) 1.283 15.187 ( 9.196 5.711 -1.155) 10.887 17.070 ( -0.390 -0.603 -0.199) 0.745 17.094 ( 3.505 0.540 0.070) 3.547 17.186 ( 1.083 -0.794 1.517) 2.026 17.204 ( -0.524 0.016 -1.420) 1.514 17.291 ( -0.546 -0.580 -0.036) 0.798 17.302 ( 0.579 0.058 -0.317) 0.663 17.586 ( -3.035 -0.880 -0.721) 3.241 17.626 ( 3.771 -1.746 0.542) 4.191 20.190 ( -9.951 2.951 1.837) 10.541 20.312 ( 3.818 2.152 -0.777) 4.451 20.603 ( -11.712 8.025 5.549) 15.243 21.022 ( 18.373 25.818 -15.117) 35.109 27.189 ( -2.131 -1.181 -0.491) 2.485 27.214 ( 2.214 -1.561 0.339) 2.730 27.442 ( -0.547 -0.530 0.620) 0.982 27.467 ( 0.883 -0.722 -1.116) 1.595 30.449 ( -1.298 1.099 1.933) 2.575 30.516 ( 1.911 1.543 -3.008) 3.884 33.238 ( -1.024 2.257 6.541) 6.995 33.346 ( 0.222 3.668 -4.187) 5.571 33.757 ( -2.141 4.261 8.185) 9.473 33.916 ( 0.974 3.639 -6.653) 7.646 34.142 ( -4.122 -4.650 -1.223) 6.333 34.212 ( 6.252 -4.229 0.225) 7.551 34.672 ( -7.381 -8.568 1.171) 11.370 34.797 ( 8.545 -10.101 -0.205) 13.232 35.594 ( 1.088 -0.624 7.366) 7.472 35.708 ( 1.087 -0.877 -6.211) 6.366 39.593 ( -4.824 -16.358 22.559) 28.281 40.089 ( 10.544 -21.987 -22.702) 33.316 45.390 ( -0.304 0.450 0.900) 1.052 45.411 ( 0.027 0.774 -1.253) 1.474 ======================= Grid point 213 (104/115) ======================= q-point: (-0.22 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( -1.628 2.449 1.498) 3.301 1.105 ( -1.200 1.172 -8.361) 8.527 1.252 ( -5.033 -9.997 6.468) 12.927 1.488 ( 3.516 -4.812 -8.447) 10.338 1.542 ( 0.153 2.600 5.351) 5.952 1.646 ( 0.283 -4.224 -2.413) 4.873 1.688 ( -5.483 -4.043 2.465) 7.245 1.753 ( -7.670 -5.118 8.802) 12.747 1.865 ( -2.430 -2.625 -3.154) 4.769 1.903 ( 0.361 1.131 -2.720) 2.968 2.006 ( -3.002 5.386 -1.591) 6.368 2.096 ( 6.763 -4.952 -2.961) 8.890 2.128 ( 1.908 -0.238 0.290) 1.945 2.157 ( 3.125 0.877 -2.842) 4.314 2.244 ( 2.418 0.484 -0.439) 2.505 2.370 ( 1.931 -1.487 0.332) 2.459 2.532 ( -0.385 2.474 -0.365) 2.530 2.584 ( -0.364 -1.734 -2.945) 3.437 2.685 ( -3.942 5.501 -1.388) 6.909 2.842 ( 4.245 5.704 1.722) 7.316 2.882 ( 1.060 -1.625 3.440) 3.949 2.983 ( 1.819 -1.463 -5.402) 5.885 3.137 ( -0.905 1.579 1.165) 2.161 3.205 ( 2.068 0.332 -0.261) 2.111 3.221 ( -3.154 -3.347 1.433) 4.816 3.288 ( 0.530 -2.088 1.155) 2.444 3.326 ( -2.214 -2.254 -1.119) 3.352 3.346 ( 2.105 2.711 0.938) 3.558 3.377 ( 1.100 3.131 0.876) 3.432 3.489 ( 3.471 -0.192 -0.982) 3.612 3.565 ( -1.747 -0.478 2.387) 2.997 3.638 ( 0.389 1.760 -0.147) 1.809 3.743 ( -1.841 -3.040 2.611) 4.410 3.827 ( 2.797 -0.797 -0.210) 2.916 3.957 ( -2.059 -2.343 -1.151) 3.324 4.005 ( 1.933 -2.959 0.229) 3.542 4.169 ( -1.640 -1.434 0.932) 2.370 4.237 ( 2.389 -1.448 0.771) 2.898 4.522 ( -1.884 -0.978 -0.693) 2.233 4.623 ( 4.313 -2.875 0.401) 5.199 9.110 ( -4.875 0.794 0.327) 4.950 9.213 ( 1.078 -1.099 0.323) 1.573 10.386 ( -54.731 18.934 -0.181) 57.914 11.411 ( 14.809 10.926 -2.150) 18.528 12.418 ( -0.800 -0.178 0.434) 0.927 12.483 ( 3.032 -0.682 -0.335) 3.125 12.682 ( -3.281 1.041 -0.013) 3.442 12.749 ( 1.081 0.064 -0.026) 1.083 13.772 ( -27.142 12.573 0.443) 29.916 14.657 ( 15.817 20.153 -5.271) 26.155 15.178 ( 0.671 -0.955 0.864) 1.452 15.187 ( 2.057 0.253 0.726) 2.196 17.089 ( 0.464 -1.097 0.299) 1.228 17.115 ( 1.636 -0.576 -0.677) 1.862 17.202 ( 0.108 -0.527 -1.006) 1.141 17.212 ( 2.375 -0.097 1.374) 2.746 17.298 ( -0.337 -0.238 -0.026) 0.413 17.302 ( 0.178 -0.023 0.012) 0.180 17.576 ( -3.741 -0.809 -0.517) 3.862 17.684 ( 3.202 -1.538 0.339) 3.569 20.029 ( -11.489 5.110 1.471) 12.660 20.298 ( 3.139 1.978 -0.352) 3.727 20.433 ( -3.386 3.960 0.453) 5.229 20.689 ( 8.909 18.141 -5.226) 20.875 27.187 ( -2.209 -0.375 -0.327) 2.265 27.245 ( 1.425 -0.315 0.142) 1.466 27.451 ( -0.436 -0.626 0.920) 1.195 27.481 ( 0.511 -0.359 -1.169) 1.326 30.398 ( -2.984 1.935 0.190) 3.561 30.515 ( 3.571 0.839 -0.698) 3.734 33.212 ( -0.407 0.966 4.886) 4.997 33.275 ( -0.224 3.068 -2.672) 4.074 33.686 ( -2.129 2.534 4.788) 5.821 33.827 ( 1.610 5.247 -6.444) 8.465 34.183 ( -4.569 -3.278 -2.157) 6.022 34.345 ( 7.812 -3.681 3.404) 9.282 34.770 ( -7.533 -7.082 1.044) 10.392 35.000 ( 6.111 -5.478 -2.533) 8.589 35.623 ( -0.613 -0.615 4.867) 4.944 35.746 ( 4.199 -2.169 -3.010) 5.603 39.880 ( -5.983 -13.459 24.471) 28.562 40.482 ( 12.249 -14.026 -27.114) 32.893 45.380 ( -0.342 0.425 0.687) 0.878 45.396 ( -0.122 0.581 -0.882) 1.063 ======================= Grid point 214 (105/115) ======================= q-point: (-0.11 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -7.336 5.023 0.472) 8.903 1.098 ( 4.813 2.746 -3.745) 6.688 1.344 ( -1.762 -2.901 0.853) 3.499 1.503 ( 0.839 5.565 -3.068) 6.410 1.531 ( 0.106 -0.041 6.338) 6.340 1.654 ( 3.638 -0.166 -4.283) 5.622 1.727 ( -6.722 2.851 3.155) 7.954 1.752 ( -3.721 -3.952 -1.644) 5.672 1.858 ( -4.286 -2.231 0.310) 4.842 1.906 ( 3.975 2.492 -4.012) 6.173 1.965 ( -2.872 -4.622 -0.839) 5.506 2.102 ( 3.018 1.018 -2.324) 3.943 2.176 ( 4.363 -0.080 -2.851) 5.212 2.254 ( -3.187 -5.765 2.399) 7.011 2.305 ( 2.681 -3.561 -1.302) 4.644 2.378 ( -0.015 2.928 0.370) 2.952 2.522 ( 0.332 -1.101 1.080) 1.577 2.550 ( -2.941 1.059 -3.382) 4.606 2.652 ( -1.654 -1.416 2.099) 3.024 2.774 ( 4.718 4.695 0.507) 6.675 2.924 ( 2.045 -1.698 1.923) 3.280 2.995 ( -2.684 0.051 -2.889) 3.944 3.101 ( 3.209 0.865 0.745) 3.406 3.205 ( 2.799 2.129 0.712) 3.588 3.265 ( -0.348 -2.235 0.900) 2.434 3.287 ( -0.366 1.036 -1.344) 1.736 3.332 ( 1.875 0.040 -1.954) 2.708 3.356 ( -2.156 -2.202 -0.056) 3.082 3.364 ( 1.269 0.489 0.604) 1.489 3.522 ( 3.508 -0.807 -0.498) 3.634 3.574 ( -0.404 -0.826 1.891) 2.103 3.599 ( -0.654 1.696 0.030) 1.818 3.780 ( -1.509 -1.519 2.498) 3.290 3.844 ( 1.569 0.779 1.036) 2.035 3.968 ( -2.404 -0.700 -1.099) 2.735 4.058 ( 1.260 -1.332 0.089) 1.836 4.193 ( -1.200 -1.965 0.829) 2.448 4.273 ( 1.433 -0.668 0.745) 1.748 4.504 ( -2.650 0.836 -0.733) 2.874 4.697 ( 3.736 -1.326 0.529) 3.999 9.068 ( -3.065 0.233 0.119) 3.077 9.235 ( 1.458 -0.088 -0.030) 1.461 9.723 ( -42.574 11.457 1.427) 44.111 11.345 ( 10.784 5.390 -1.893) 12.204 12.416 ( -0.683 -0.221 0.097) 0.724 12.522 ( 3.653 -0.861 -0.054) 3.753 12.635 ( -3.912 1.072 0.030) 4.056 12.755 ( 0.910 0.040 -0.073) 0.913 13.489 ( -10.711 4.394 0.046) 11.577 14.465 ( 12.425 10.263 -3.197) 16.429 15.188 ( 1.446 0.862 2.121) 2.708 15.207 ( 0.339 -1.240 -0.642) 1.437 17.106 ( 0.123 -0.087 1.119) 1.129 17.131 ( 0.486 -0.458 -1.603) 1.737 17.209 ( 0.445 -0.050 0.285) 0.530 17.240 ( 3.192 -0.500 -0.110) 3.233 17.293 ( -0.888 0.150 0.802) 1.206 17.309 ( -0.274 -0.637 -0.221) 0.728 17.560 ( -3.714 -0.499 -0.375) 3.766 17.726 ( 1.803 -0.820 0.229) 1.993 19.886 ( -6.239 2.902 2.056) 7.182 20.286 ( 2.828 1.313 -0.140) 3.121 20.381 ( -0.755 0.908 -0.636) 1.342 20.480 ( 3.832 7.851 -2.462) 9.077 27.173 ( -1.527 0.193 -0.151) 1.546 27.253 ( 0.823 0.204 0.101) 0.854 27.460 ( -0.315 -0.377 0.938) 1.058 27.484 ( 0.234 0.066 -0.996) 1.026 30.353 ( -2.382 0.568 0.248) 2.461 30.528 ( 2.545 0.089 -0.489) 2.593 33.210 ( -0.222 0.202 2.363) 2.382 33.226 ( -0.302 1.080 0.052) 1.123 33.657 ( -0.921 -0.363 0.466) 1.095 33.740 ( 1.151 3.832 -3.363) 5.227 34.190 ( -3.374 -0.969 -1.935) 4.009 34.456 ( 7.844 -0.950 4.118) 8.910 34.821 ( -6.940 -3.898 0.116) 7.960 35.086 ( 2.876 -1.087 -2.839) 4.185 35.622 ( -2.657 -0.058 2.474) 3.631 35.822 ( 4.270 -2.133 -0.333) 4.784 40.066 ( -6.102 -6.013 26.250) 27.613 40.680 ( 9.041 -3.942 -29.099) 30.725 45.373 ( -0.228 0.263 0.524) 0.629 45.386 ( 0.029 0.248 -0.630) 0.677 ======================= Grid point 221 (106/115) ======================= q-point: (-0.44 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -8.774 -0.000 -10.309) 13.537 0.637 ( -2.630 -0.000 -2.420) 3.575 1.110 ( 0.974 0.000 0.397) 1.051 1.156 ( -3.835 -0.000 2.621) 4.645 1.297 ( 8.437 0.000 -6.650) 10.743 1.354 ( 9.768 0.000 -4.676) 10.830 1.713 ( -3.474 -0.000 3.705) 5.078 1.713 ( -4.154 -0.000 2.645) 4.925 1.995 ( 8.654 0.000 9.057) 12.527 2.007 ( -1.751 -0.000 0.767) 1.912 2.056 ( -5.540 -0.000 -7.204) 9.088 2.066 ( 1.022 0.000 -1.833) 2.099 2.099 ( -6.129 -0.000 5.768) 8.416 2.234 ( 2.377 0.000 -1.151) 2.641 2.360 ( 0.629 0.000 0.352) 0.721 2.369 ( 0.365 0.000 -0.867) 0.941 2.555 ( 3.066 0.000 5.373) 6.187 2.673 ( -0.016 -0.000 -9.589) 9.589 2.762 ( -1.792 -0.000 -0.582) 1.884 2.785 ( 0.423 0.000 -1.843) 1.891 2.963 ( -7.238 -0.000 -0.756) 7.278 2.988 ( 2.812 0.000 3.366) 4.386 3.038 ( -0.008 -0.000 1.373) 1.373 3.118 ( -1.800 -0.000 -4.656) 4.992 3.221 ( 0.328 0.000 2.004) 2.030 3.238 ( 1.789 0.000 0.878) 1.992 3.334 ( -2.020 -0.000 1.176) 2.337 3.375 ( -0.950 -0.000 -3.112) 3.254 3.381 ( 0.287 0.000 2.218) 2.236 3.440 ( 3.446 0.000 0.170) 3.450 3.583 ( -2.044 -0.000 4.208) 4.678 3.610 ( 1.880 0.000 1.480) 2.393 3.683 ( 0.439 0.000 0.681) 0.810 3.774 ( 0.600 0.000 -5.046) 5.082 3.917 ( -0.676 -0.000 1.717) 1.846 3.940 ( 1.003 0.000 0.249) 1.033 4.213 ( 2.938 0.000 2.128) 3.628 4.219 ( -0.496 -0.000 -1.858) 1.923 4.378 ( 0.581 0.000 0.776) 0.969 4.389 ( 1.000 0.000 -0.412) 1.081 9.141 ( -1.475 -0.000 -0.231) 1.493 9.143 ( -1.033 -0.000 -0.052) 1.035 11.364 ( -21.453 -0.000 16.025) 26.778 11.803 ( 8.216 0.000 -11.402) 14.053 12.414 ( 0.276 0.000 1.508) 1.533 12.444 ( 0.891 0.000 -1.405) 1.664 12.729 ( -0.950 -0.000 0.657) 1.155 12.746 ( -0.236 -0.000 -0.668) 0.709 14.972 ( -38.168 -0.000 22.476) 44.294 15.110 ( -1.090 -0.000 -0.057) 1.091 15.126 ( 0.503 0.000 0.263) 0.567 15.799 ( 11.648 0.000 -25.961) 28.455 17.086 ( -2.955 -0.000 -0.688) 3.034 17.139 ( -0.909 -0.000 -0.023) 0.909 17.166 ( 7.731 0.000 1.303) 7.840 17.195 ( 1.440 0.000 -2.249) 2.670 17.278 ( -1.901 -0.000 -0.131) 1.906 17.306 ( 1.283 0.000 -0.358) 1.332 17.573 ( 3.087 0.000 1.812) 3.580 17.576 ( -0.816 -0.000 -2.282) 2.424 20.245 ( -8.924 -0.000 3.592) 9.619 20.370 ( 2.885 0.000 -2.604) 3.886 20.762 ( -15.535 -0.000 24.319) 28.858 21.768 ( 25.978 0.000 -54.523) 60.396 27.150 ( 1.325 0.000 1.188) 1.780 27.158 ( -0.117 -0.000 -1.042) 1.049 27.430 ( -0.234 -0.000 0.113) 0.259 27.450 ( 0.975 0.000 -1.457) 1.753 30.443 ( 0.279 0.000 5.479) 5.486 30.553 ( 0.865 0.000 -6.621) 6.678 33.309 ( -2.077 -0.000 7.260) 7.551 33.438 ( 1.168 0.000 -4.940) 5.076 33.919 ( 0.240 0.000 7.999) 8.002 33.996 ( 4.445 0.000 7.593) 8.798 34.009 ( -3.103 -0.000 -4.719) 5.648 34.054 ( -0.006 -0.000 -3.896) 3.896 34.433 ( -0.784 -0.000 6.355) 6.403 34.546 ( 1.435 0.000 -4.822) 5.031 35.589 ( 1.352 0.000 6.940) 7.071 35.695 ( 1.220 0.000 -5.823) 5.949 39.231 ( 5.249 0.000 18.711) 19.433 39.471 ( -0.946 -0.000 -14.920) 14.949 45.400 ( -0.377 -0.000 1.179) 1.238 45.430 ( 0.167 0.000 -1.926) 1.933 ======================= Grid point 222 (107/115) ======================= q-point: (-0.33 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -9.442 -14.315 -0.797) 17.167 0.792 ( -4.859 -14.599 -3.024) 15.681 1.094 ( -1.468 -2.472 1.715) 3.348 1.210 ( 3.109 -1.432 -3.407) 4.830 1.406 ( 6.802 -4.817 -5.883) 10.202 1.489 ( 11.762 -6.138 0.522) 13.277 1.645 ( -6.960 1.531 1.208) 7.228 1.701 ( -3.655 -0.429 4.862) 6.098 1.915 ( -0.373 5.058 5.531) 7.505 1.949 ( -4.919 4.786 -2.588) 7.334 2.008 ( 1.773 2.627 -0.520) 3.211 2.130 ( -0.524 -1.496 2.701) 3.131 2.162 ( 3.168 -5.201 2.306) 6.512 2.240 ( 3.168 0.704 -3.466) 4.748 2.318 ( -0.455 3.774 -3.312) 5.042 2.334 ( 2.452 3.246 1.021) 4.195 2.591 ( -3.219 -0.470 -1.514) 3.589 2.680 ( 1.346 -1.313 -1.772) 2.584 2.738 ( -4.820 -1.237 -4.240) 6.538 2.795 ( 1.059 -0.860 -0.310) 1.399 2.890 ( -4.252 1.477 -1.700) 4.812 3.011 ( 3.632 0.124 2.190) 4.243 3.098 ( -2.461 -2.839 -1.515) 4.051 3.116 ( -3.546 -3.224 -0.217) 4.797 3.202 ( 0.215 2.181 4.104) 4.652 3.238 ( 0.702 -0.051 0.223) 0.738 3.345 ( -0.630 0.262 -2.226) 2.328 3.382 ( -0.322 -3.036 1.030) 3.222 3.399 ( 0.739 0.129 0.897) 1.169 3.446 ( 3.188 -0.550 0.878) 3.352 3.574 ( 1.994 1.760 1.833) 3.230 3.647 ( 0.449 -2.086 2.224) 3.082 3.665 ( -0.767 1.706 1.159) 2.201 3.807 ( 1.974 -2.102 -2.766) 3.996 3.917 ( -0.696 -0.046 0.461) 0.836 3.936 ( 2.000 0.555 1.168) 2.382 4.177 ( 0.620 2.237 -0.539) 2.383 4.215 ( 3.473 2.047 0.153) 4.034 4.409 ( -0.248 -4.193 1.378) 4.421 4.485 ( 2.582 -4.883 -0.983) 5.611 9.122 ( -3.319 0.032 -0.133) 3.322 9.150 ( -1.503 -1.577 0.189) 2.187 11.078 ( -38.872 12.500 13.270) 42.934 11.776 ( 6.582 6.042 -10.059) 13.454 12.419 ( 0.556 0.150 1.313) 1.434 12.456 ( 1.815 -0.618 -1.135) 2.228 12.715 ( -1.945 0.600 0.451) 2.085 12.745 ( -0.319 -0.274 -0.372) 0.562 14.484 ( -47.923 19.773 12.720) 53.380 15.093 ( -2.660 0.768 -1.385) 3.095 15.131 ( -0.140 -0.675 -0.530) 0.869 15.603 ( 1.737 17.625 -20.767) 27.293 17.063 ( -0.408 0.176 -0.629) 0.770 17.137 ( -0.052 0.313 -0.414) 0.521 17.190 ( 4.021 0.862 -1.150) 4.270 17.221 ( 3.912 0.486 1.122) 4.099 17.273 ( -0.635 -0.781 0.106) 1.012 17.308 ( 0.552 0.217 -0.538) 0.801 17.564 ( -0.551 0.303 -1.394) 1.529 17.621 ( 3.617 -1.656 0.705) 4.040 20.156 ( -12.688 1.737 3.544) 13.288 20.368 ( 2.506 1.588 -1.484) 3.317 20.641 ( -13.569 4.502 11.231) 18.180 21.580 ( 12.301 22.001 -43.654) 50.409 27.157 ( -0.658 -0.599 -0.711) 1.138 27.194 ( 1.986 -2.143 0.491) 2.963 27.431 ( -0.454 -0.292 0.113) 0.551 27.460 ( 0.904 -0.564 -1.546) 1.878 30.460 ( 0.049 0.155 3.472) 3.476 30.543 ( 1.726 0.604 -4.491) 4.849 33.282 ( -2.005 2.032 6.882) 7.451 33.406 ( 0.471 2.962 -4.800) 5.660 33.858 ( -1.814 6.421 8.803) 11.045 33.940 ( -0.692 0.243 -2.874) 2.966 34.043 ( -1.819 -2.482 -2.564) 4.005 34.173 ( 5.864 -5.638 -0.511) 8.151 34.498 ( -2.982 -4.693 2.128) 5.953 34.660 ( 7.128 -10.133 0.349) 12.393 35.616 ( 2.738 0.134 7.495) 7.981 35.703 ( 3.120 -0.348 -5.666) 6.478 39.355 ( -0.713 -8.329 17.119) 19.051 39.707 ( 10.053 -22.078 -16.638) 29.416 45.396 ( -0.537 0.290 1.052) 1.216 45.421 ( -0.267 0.573 -1.810) 1.917 ======================= Grid point 223 (108/115) ======================= q-point: (-0.22 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -4.098 -16.188 -4.968) 17.422 1.014 ( -3.136 -11.898 6.568) 13.947 1.136 ( -2.958 4.316 -0.521) 5.259 1.270 ( -3.147 -11.724 -5.673) 13.399 1.504 ( 1.591 -1.355 -6.465) 6.795 1.573 ( -1.361 -4.409 0.622) 4.656 1.611 ( -4.885 1.122 9.972) 11.160 1.799 ( 4.274 -2.997 0.014) 5.220 1.821 ( -2.617 5.348 3.442) 6.877 1.878 ( 3.728 -2.854 3.576) 5.902 2.011 ( 2.547 -2.667 -2.871) 4.673 2.092 ( -2.776 4.285 0.190) 5.109 2.182 ( -0.893 3.545 -3.682) 5.188 2.240 ( 5.278 3.597 -2.178) 6.748 2.282 ( 4.528 -0.205 -0.563) 4.568 2.355 ( 3.197 -2.579 -0.921) 4.210 2.544 ( -3.584 0.731 -2.864) 4.646 2.606 ( -3.847 4.646 -1.226) 6.155 2.755 ( -1.938 2.850 -0.208) 3.453 2.828 ( -1.277 -4.358 -2.477) 5.173 2.863 ( -0.843 -0.959 -2.663) 2.953 3.023 ( 1.967 0.938 -1.811) 2.833 3.115 ( -1.277 -2.450 1.125) 2.983 3.158 ( -0.225 -1.589 2.667) 3.113 3.208 ( -1.368 -2.008 2.938) 3.813 3.252 ( 0.988 -0.550 0.638) 1.299 3.310 ( 0.639 1.640 -3.527) 3.942 3.396 ( 1.531 0.443 -0.007) 1.594 3.444 ( 1.684 0.373 4.623) 4.935 3.494 ( 2.157 -1.429 -0.295) 2.604 3.556 ( 0.406 1.001 1.512) 1.859 3.628 ( -1.705 -0.160 2.183) 2.775 3.698 ( 0.104 -2.127 1.171) 2.431 3.851 ( 4.196 -0.471 -0.862) 4.309 3.919 ( -1.108 -0.126 0.189) 1.131 3.964 ( 2.298 -2.233 0.300) 3.218 4.154 ( 0.681 0.535 0.745) 1.142 4.230 ( 2.410 -0.959 0.419) 2.627 4.487 ( 1.234 -2.633 -0.589) 2.967 4.584 ( 2.701 -4.011 -0.129) 4.838 9.087 ( -4.860 0.613 0.285) 4.907 9.176 ( -1.930 -2.340 0.621) 3.096 10.348 ( -62.828 22.670 2.960) 66.858 11.663 ( 4.991 8.658 -5.828) 11.569 12.419 ( 0.446 0.347 0.742) 0.932 12.489 ( 3.007 -1.015 -0.508) 3.214 12.680 ( -3.090 1.188 0.151) 3.314 12.749 ( -0.232 -0.357 -0.116) 0.441 13.812 ( -33.449 15.235 1.507) 36.786 14.974 ( -6.829 9.895 -8.258) 14.586 15.148 ( -0.677 -1.498 -0.500) 1.718 15.296 ( -0.304 9.121 -2.160) 9.378 17.073 ( 0.751 -0.928 -0.325) 1.238 17.124 ( -0.329 0.496 -0.964) 1.133 17.201 ( 2.108 0.155 -0.876) 2.288 17.242 ( 3.832 0.279 0.629) 3.894 17.289 ( 0.529 -0.350 0.631) 0.895 17.309 ( 1.216 0.212 0.130) 1.241 17.550 ( -1.171 0.285 -0.909) 1.510 17.678 ( 3.112 -1.557 0.334) 3.495 20.017 ( -13.159 2.837 1.430) 13.537 20.349 ( 1.794 1.947 -0.491) 2.693 20.483 ( -6.078 4.578 1.915) 7.847 21.129 ( 1.660 23.621 -19.044) 30.387 27.161 ( -1.281 -0.648 -0.664) 1.582 27.241 ( 1.166 -1.212 0.220) 1.696 27.437 ( -0.440 -0.662 0.575) 0.981 27.474 ( 0.638 -0.546 -1.504) 1.723 30.428 ( -1.033 2.620 0.283) 2.831 30.550 ( 2.669 0.411 -0.869) 2.837 33.243 ( -1.278 1.787 5.955) 6.347 33.334 ( 0.099 3.748 -3.867) 5.386 33.747 ( -2.880 4.731 7.939) 9.680 33.908 ( 1.016 3.115 -6.300) 7.101 34.086 ( -2.110 -3.658 -2.113) 4.722 34.315 ( 5.613 -5.387 1.059) 7.852 34.583 ( -4.499 -7.034 2.214) 8.638 34.910 ( 7.185 -8.796 -2.682) 11.669 35.638 ( 1.977 0.814 4.481) 4.965 35.744 ( 5.719 -1.433 -2.332) 6.340 39.599 ( -4.270 -15.239 20.952) 26.257 40.212 ( 16.711 -21.368 -25.546) 37.262 45.386 ( -0.575 0.409 0.825) 1.085 45.403 ( -0.574 0.622 -1.281) 1.536 ======================= Grid point 224 (109/115) ======================= q-point: (-0.11 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -10.050 6.737 -0.609) 12.114 1.094 ( 0.867 -5.029 -10.101) 11.317 1.231 ( -1.458 -9.059 8.319) 12.385 1.478 ( -2.324 -10.277 -7.802) 13.111 1.528 ( -4.764 -3.134 -1.532) 5.905 1.578 ( -1.625 -3.311 1.589) 4.016 1.661 ( -3.271 -1.188 10.279) 10.852 1.737 ( 0.675 3.889 4.262) 5.809 1.834 ( 0.739 -1.887 -2.469) 3.194 1.892 ( -1.950 2.415 -1.542) 3.466 1.995 ( 4.105 4.070 -4.523) 7.340 2.105 ( -2.215 0.016 -1.113) 2.479 2.168 ( 2.780 -5.986 0.654) 6.633 2.217 ( 5.374 2.230 -4.125) 7.132 2.323 ( 6.467 0.704 -0.756) 6.548 2.387 ( -0.052 -0.227 2.660) 2.671 2.526 ( -1.753 1.061 -0.307) 2.072 2.542 ( -0.443 -2.155 -3.243) 3.919 2.653 ( -1.255 4.701 -0.152) 4.868 2.847 ( -1.667 1.951 -1.709) 3.083 2.879 ( -3.695 -3.247 -0.904) 5.001 3.022 ( 4.235 0.797 -3.539) 5.576 3.127 ( -1.177 1.315 1.354) 2.224 3.203 ( -0.555 -2.256 2.817) 3.652 3.230 ( -1.037 -1.508 2.086) 2.775 3.274 ( 0.391 -1.188 0.472) 1.337 3.314 ( 1.571 -1.019 -1.742) 2.558 3.380 ( 2.707 2.850 -0.137) 3.933 3.420 ( 1.983 2.330 1.533) 3.422 3.529 ( 1.590 -0.881 0.190) 1.828 3.561 ( 0.557 -0.681 1.836) 2.036 3.631 ( -1.157 1.117 0.816) 1.803 3.729 ( -1.288 -2.246 2.351) 3.497 3.872 ( 2.497 1.138 0.112) 2.746 3.927 ( -0.767 -1.913 -0.777) 2.202 4.029 ( 1.071 -2.619 0.293) 2.844 4.165 ( 0.835 -0.811 1.588) 1.969 4.267 ( 1.335 -1.127 0.609) 1.850 4.506 ( 0.181 0.636 -1.843) 1.958 4.674 ( 1.924 -3.309 0.354) 3.844 9.039 ( -4.881 -0.124 0.150) 4.885 9.208 ( -2.112 -2.446 0.959) 3.371 9.615 ( -42.048 9.687 -0.547) 43.153 11.517 ( 1.292 8.177 -3.465) 8.974 12.417 ( 0.464 0.317 0.293) 0.634 12.533 ( 3.783 -0.970 -0.075) 3.906 12.630 ( -3.816 1.367 -0.047) 4.054 12.754 ( -0.288 -0.397 -0.059) 0.494 13.481 ( -12.878 4.043 0.000) 13.498 14.671 ( -10.338 10.893 -6.182) 16.240 15.173 ( -0.952 -1.875 -0.215) 2.114 15.222 ( -0.388 1.344 2.211) 2.617 17.097 ( 0.173 -0.943 0.413) 1.044 17.118 ( -0.362 -0.528 -1.566) 1.691 17.211 ( 0.862 -0.102 -0.019) 0.868 17.267 ( 3.662 0.145 -0.664) 3.725 17.288 ( -1.007 0.013 -0.123) 1.015 17.317 ( 2.268 0.828 1.455) 2.819 17.538 ( -0.629 0.073 -0.440) 0.771 17.721 ( 1.698 -1.014 0.244) 1.993 19.891 ( -7.395 2.295 1.421) 7.873 20.320 ( 0.021 1.709 0.358) 1.746 20.401 ( -1.319 1.978 -0.070) 2.378 20.716 ( -3.025 16.263 -7.863) 18.316 27.160 ( -0.985 -0.387 -0.389) 1.127 27.257 ( 0.048 -0.167 0.104) 0.203 27.449 ( -0.256 -0.705 0.836) 1.123 27.483 ( 0.298 -0.236 -1.262) 1.318 30.373 ( -0.218 2.403 0.257) 2.427 30.553 ( 1.630 0.862 -0.395) 1.886 33.221 ( -0.552 0.741 4.386) 4.483 33.264 ( -0.030 3.030 -2.173) 3.728 33.671 ( -2.004 2.431 4.927) 5.848 33.824 ( 1.016 4.916 -6.337) 8.084 34.132 ( -1.453 -2.811 -1.603) 3.547 34.451 ( 3.119 -4.853 2.152) 6.157 34.687 ( -2.639 -5.994 2.692) 7.081 35.058 ( 3.442 -3.748 -4.119) 6.547 35.631 ( 0.734 1.387 2.029) 2.565 35.818 ( 5.137 -1.791 -0.122) 5.441 39.882 ( -5.045 -13.278 24.999) 28.752 40.581 ( 14.008 -10.490 -30.592) 35.244 45.376 ( -0.486 0.316 0.579) 0.819 45.389 ( -0.432 0.283 -0.757) 0.917 ======================= Grid point 231 (110/115) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( -10.845 -0.000 -1.989) 11.026 0.565 ( -6.307 -0.000 6.214) 8.854 1.151 ( 5.011 0.000 -4.131) 6.495 1.180 ( 5.308 0.000 4.050) 6.676 1.410 ( 8.957 0.000 -7.069) 11.410 1.524 ( 13.538 0.000 -0.743) 13.558 1.629 ( -9.287 -0.000 4.071) 10.140 1.645 ( -5.848 -0.000 2.914) 6.534 1.893 ( -8.214 -0.000 -5.127) 9.683 2.039 ( 1.155 0.000 0.936) 1.487 2.058 ( 0.867 0.000 -2.360) 2.514 2.090 ( 1.172 0.000 6.648) 6.751 2.171 ( 8.545 0.000 7.372) 11.286 2.246 ( -0.330 -0.000 -2.532) 2.553 2.366 ( 0.187 0.000 -0.877) 0.897 2.369 ( -0.182 -0.000 0.731) 0.753 2.577 ( -1.302 -0.000 0.982) 1.631 2.609 ( -2.307 -0.000 -15.253) 15.426 2.698 ( -6.337 -0.000 -1.552) 6.524 2.762 ( -3.906 -0.000 -0.989) 4.029 2.882 ( -3.050 -0.000 0.355) 3.071 3.030 ( -1.796 -0.000 -2.887) 3.401 3.055 ( 2.100 0.000 0.094) 2.102 3.074 ( 1.086 0.000 3.974) 4.120 3.212 ( -2.311 -0.000 3.395) 4.107 3.276 ( 2.764 0.000 -0.620) 2.833 3.281 ( -4.841 -0.000 1.474) 5.060 3.350 ( -1.088 -0.000 -1.955) 2.237 3.410 ( 2.224 0.000 1.835) 2.883 3.502 ( 4.373 0.000 1.043) 4.496 3.589 ( -0.360 -0.000 4.521) 4.535 3.637 ( 0.932 0.000 0.257) 0.967 3.734 ( 6.734 0.000 -0.067) 6.734 3.765 ( 0.632 0.000 -2.729) 2.801 3.909 ( -1.444 -0.000 1.966) 2.439 3.960 ( 1.560 0.000 -0.164) 1.569 4.233 ( 3.396 0.000 -1.320) 3.644 4.257 ( 1.988 0.000 2.228) 2.986 4.393 ( 1.204 0.000 0.218) 1.224 4.417 ( 2.906 0.000 -0.429) 2.938 9.104 ( -3.312 -0.000 -0.232) 3.320 9.111 ( -3.142 -0.000 0.003) 3.142 10.938 ( -47.795 -0.000 19.238) 51.521 11.841 ( 2.134 0.000 -14.074) 14.235 12.433 ( 1.643 0.000 1.591) 2.287 12.460 ( 1.936 0.000 -1.367) 2.369 12.710 ( -1.959 -0.000 0.772) 2.106 12.733 ( -1.300 -0.000 -0.596) 1.430 14.352 ( -50.765 -0.000 15.023) 52.941 15.077 ( -3.503 -0.000 -2.122) 4.096 15.120 ( -1.051 -0.000 -0.216) 1.073 15.663 ( -17.507 -0.000 -33.161) 37.499 17.061 ( -0.178 -0.000 -0.880) 0.897 17.128 ( -0.647 -0.000 0.159) 0.666 17.223 ( 2.963 0.000 -1.385) 3.271 17.241 ( -1.680 -0.000 -1.023) 1.967 17.293 ( 6.790 0.000 1.799) 7.024 17.310 ( -0.318 -0.000 -0.659) 0.732 17.579 ( 2.472 0.000 -2.379) 3.431 17.629 ( 3.585 0.000 1.453) 3.868 20.077 ( -15.706 -0.000 5.201) 16.545 20.397 ( 2.072 0.000 -1.952) 2.847 20.614 ( -11.373 -0.000 11.426) 16.122 21.720 ( -6.274 -0.000 -68.506) 68.793 27.161 ( 1.061 0.000 -1.099) 1.528 27.178 ( 1.768 0.000 1.082) 2.073 27.427 ( -0.197 -0.000 -0.153) 0.250 27.454 ( 0.412 0.000 -2.057) 2.098 30.473 ( 1.080 0.000 5.370) 5.477 30.551 ( 1.793 0.000 -5.834) 6.103 33.297 ( -2.646 -0.000 6.482) 7.002 33.430 ( 0.143 0.000 -5.430) 5.431 33.926 ( -0.651 -0.000 3.667) 3.724 33.929 ( -3.573 -0.000 -5.784) 6.798 34.064 ( 1.432 0.000 -2.079) 2.525 34.095 ( 3.379 0.000 4.660) 5.756 34.491 ( 5.369 0.000 10.575) 11.860 34.570 ( 3.471 0.000 -3.451) 4.895 35.663 ( 5.440 0.000 8.607) 10.182 35.718 ( 4.518 0.000 -5.712) 7.283 39.395 ( 8.627 0.000 16.646) 18.749 39.430 ( 2.497 0.000 -15.882) 16.077 45.396 ( -0.706 -0.000 1.076) 1.287 45.420 ( -0.726 -0.000 -2.180) 2.298 ======================= Grid point 232 (111/115) ======================= q-point: (-0.22 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -4.328 -15.883 2.734) 16.687 0.715 ( -4.410 -15.208 6.396) 17.078 1.149 ( 7.409 0.050 0.890) 7.462 1.238 ( 1.383 2.600 -1.882) 3.495 1.488 ( 4.755 -3.470 -1.788) 6.152 1.519 ( -6.240 3.156 -1.636) 7.182 1.605 ( -4.976 -0.088 6.446) 8.144 1.710 ( 7.294 -6.311 -4.115) 10.487 1.828 ( -2.473 -1.058 0.303) 2.707 1.986 ( 2.122 3.969 3.028) 5.424 2.039 ( 1.080 4.807 1.432) 5.131 2.131 ( 0.597 -0.002 -0.622) 0.862 2.209 ( 1.046 0.365 -0.741) 1.333 2.272 ( 1.195 -1.790 0.284) 2.171 2.314 ( 3.027 1.358 -1.902) 3.824 2.370 ( 1.593 1.617 1.348) 2.640 2.527 ( -2.662 1.230 -6.915) 7.511 2.632 ( -6.215 1.688 -2.733) 6.996 2.667 ( -3.532 -6.613 -5.097) 9.065 2.766 ( -4.244 -2.620 -1.753) 5.286 2.848 ( -1.085 0.677 0.003) 1.279 3.001 ( -4.296 -0.082 -3.146) 5.326 3.093 ( 2.519 -1.379 1.346) 3.172 3.110 ( 0.085 -1.945 2.977) 3.557 3.209 ( -1.078 -0.533 3.827) 4.012 3.248 ( 2.119 0.204 0.272) 2.146 3.317 ( -1.123 -0.839 -2.831) 3.159 3.378 ( -0.105 -3.739 1.494) 4.027 3.413 ( 0.591 0.406 1.428) 1.598 3.518 ( 5.069 0.677 0.990) 5.209 3.617 ( 0.416 -0.770 3.479) 3.588 3.657 ( -1.037 0.751 -2.030) 2.400 3.680 ( 4.949 3.367 2.056) 6.329 3.847 ( 3.645 -2.171 -0.361) 4.258 3.904 ( -1.372 -0.514 1.477) 2.080 3.966 ( 1.438 -0.102 1.143) 1.840 4.203 ( 2.713 2.533 1.122) 3.877 4.266 ( 3.822 2.939 -0.562) 4.854 4.436 ( 3.888 -4.595 0.706) 6.060 4.517 ( 1.918 -4.741 -0.475) 5.136 9.066 ( -4.249 0.668 0.066) 4.302 9.113 ( -3.561 -2.076 0.316) 4.134 10.311 ( -71.450 22.891 11.743) 75.941 11.775 ( -2.847 3.789 -13.618) 14.419 12.440 ( 1.734 0.782 1.017) 2.157 12.488 ( 2.856 -1.198 -0.711) 3.178 12.681 ( -2.883 1.183 0.474) 3.152 12.731 ( -1.417 -0.797 -0.296) 1.652 13.844 ( -38.822 14.698 4.094) 41.713 14.999 ( -12.662 3.559 -10.526) 16.846 15.117 ( -1.321 -0.751 -0.766) 1.702 15.356 ( -22.703 5.718 -17.741) 29.375 17.066 ( 0.743 -0.410 -0.704) 1.102 17.121 ( -1.121 0.265 -0.533) 1.269 17.223 ( 0.546 0.491 -0.312) 0.798 17.250 ( 1.749 -0.664 -1.150) 2.196 17.299 ( -0.286 0.418 -0.438) 0.669 17.343 ( 5.294 0.089 1.363) 5.467 17.575 ( 3.027 1.878 -1.141) 3.741 17.675 ( 3.245 -1.369 0.493) 3.556 19.953 ( -14.955 1.192 2.398) 15.192 20.394 ( 1.785 1.477 -1.295) 2.654 20.517 ( -7.092 3.631 3.982) 8.907 21.376 ( -19.493 11.958 -48.010) 53.178 27.154 ( 0.746 0.557 -0.688) 1.158 27.220 ( 1.260 -1.822 0.387) 2.249 27.425 ( -0.300 -0.230 0.089) 0.389 27.463 ( 0.323 -0.783 -1.982) 2.156 30.473 ( 0.668 1.871 2.204) 2.968 30.563 ( 2.195 -0.493 -2.465) 3.337 33.272 ( -2.323 1.444 6.104) 6.688 33.392 ( -0.070 2.795 -5.038) 5.761 33.841 ( -2.850 5.638 5.055) 8.091 33.933 ( 0.481 0.011 -1.904) 1.964 34.028 ( 0.405 -0.611 -1.527) 1.694 34.218 ( 0.033 -6.602 -1.600) 6.793 34.509 ( 3.375 -0.361 3.837) 5.123 34.770 ( 7.372 -11.293 -0.877) 13.515 35.697 ( 5.049 1.994 4.382) 6.976 35.767 ( 7.462 -1.133 -1.404) 7.677 39.390 ( -0.737 -5.875 11.949) 13.336 39.850 ( 15.934 -25.291 -17.481) 34.628 45.389 ( -0.769 0.264 0.928) 1.234 45.404 ( -1.148 0.426 -1.781) 2.161 ======================= Grid point 233 (112/115) ======================= q-point: (-0.11 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -3.530 -17.114 -8.642) 19.494 0.990 ( -0.411 -7.347 2.505) 7.773 1.063 ( -9.946 3.642 8.350) 13.488 1.262 ( 3.610 -5.381 -1.566) 6.666 1.459 ( -4.146 -0.954 -1.562) 4.532 1.561 ( -4.103 1.120 -1.528) 4.519 1.624 ( 4.871 -6.230 6.629) 10.319 1.760 ( 0.135 -2.401 -3.909) 4.590 1.882 ( 0.503 8.011 7.221) 10.797 1.935 ( 0.880 0.791 -0.427) 1.258 2.035 ( 1.561 -4.616 0.691) 4.922 2.091 ( 3.384 0.569 0.357) 3.450 2.150 ( -0.510 4.444 -5.732) 7.270 2.296 ( 3.031 2.668 -1.993) 4.503 2.360 ( 4.418 -3.117 1.680) 5.662 2.392 ( 3.453 -0.210 -0.337) 3.476 2.486 ( -2.894 -0.252 -4.650) 5.483 2.543 ( -2.922 2.194 -2.455) 4.402 2.720 ( -4.138 0.242 0.427) 4.167 2.742 ( -4.820 -2.615 -9.317) 10.811 2.862 ( -0.374 -0.678 1.504) 1.691 2.989 ( -3.388 -2.427 -1.990) 4.618 3.127 ( -0.074 -1.014 0.680) 1.223 3.154 ( -1.784 -2.739 3.399) 4.716 3.230 ( 3.218 0.661 0.532) 3.328 3.282 ( 2.425 -1.580 0.335) 2.913 3.315 ( 2.408 0.219 -2.269) 3.316 3.421 ( 1.174 -0.763 0.813) 1.619 3.450 ( -1.722 -1.847 4.006) 4.736 3.536 ( 1.662 1.844 0.895) 2.639 3.577 ( 1.325 1.851 -0.260) 2.292 3.628 ( 1.339 0.878 1.940) 2.515 3.706 ( 0.836 -0.716 0.903) 1.424 3.888 ( -1.102 -1.469 0.201) 1.848 3.920 ( 2.563 0.380 2.065) 3.313 3.993 ( 1.159 -1.662 0.827) 2.189 4.189 ( 3.205 1.509 2.449) 4.306 4.261 ( 2.066 -0.126 -0.311) 2.093 4.522 ( 3.221 -0.150 -1.265) 3.464 4.608 ( 0.351 -4.398 0.001) 4.412 9.000 ( -8.681 1.443 0.557) 8.818 9.131 ( -4.331 -2.942 1.432) 5.428 9.466 ( -45.777 8.997 -0.964) 46.663 11.621 ( -9.379 5.825 -9.076) 14.293 12.437 ( 1.633 0.910 0.525) 1.941 12.537 ( 3.757 -1.459 -0.165) 4.034 12.630 ( -3.741 1.617 0.125) 4.077 12.736 ( -1.484 -0.832 -0.151) 1.708 13.459 ( -15.444 4.884 -0.207) 16.199 14.676 ( -32.531 7.168 -13.031) 35.769 15.129 ( -1.484 -1.692 -0.288) 2.269 15.211 ( -6.598 -0.468 0.833) 6.667 17.081 ( 0.289 -0.837 -0.511) 1.023 17.105 ( -1.247 0.105 -1.144) 1.695 17.221 ( 0.727 0.281 0.121) 0.789 17.277 ( 1.829 -0.753 -0.502) 2.041 17.287 ( -0.564 0.430 -0.873) 1.125 17.367 ( 3.597 1.109 1.146) 3.935 17.563 ( 3.714 1.673 -0.214) 4.079 17.716 ( 1.887 -0.908 0.244) 2.108 19.857 ( -8.152 -0.091 0.826) 8.194 20.360 ( -0.646 2.701 -0.124) 2.780 20.428 ( -2.218 2.105 0.183) 3.063 20.921 ( -19.591 13.717 -19.890) 31.105 27.152 ( 0.511 0.052 -0.514) 0.726 27.248 ( -0.244 -0.660 0.147) 0.719 27.434 ( -0.160 -0.774 0.591) 0.987 27.475 ( 0.184 -0.565 -1.694) 1.795 30.432 ( 1.346 3.040 0.837) 3.428 30.575 ( 1.019 0.487 -0.803) 1.386 33.241 ( -1.469 1.215 5.169) 5.509 33.323 ( 0.231 3.468 -3.608) 5.010 33.732 ( -2.753 4.632 8.118) 9.743 33.902 ( 1.086 3.346 -6.425) 7.325 34.068 ( 0.456 -2.999 -1.441) 3.359 34.331 ( -3.272 -6.939 -1.894) 7.901 34.598 ( 4.355 -4.786 6.557) 9.212 34.981 ( 4.275 -6.736 -5.453) 9.664 35.689 ( 3.650 2.649 2.331) 5.076 35.837 ( 6.540 -0.555 -0.426) 6.577 39.616 ( -3.266 -14.842 22.103) 26.824 40.372 ( 17.245 -18.987 -32.952) 41.758 45.379 ( -0.739 0.333 0.589) 1.002 45.387 ( -0.942 0.233 -0.883) 1.312 ======================= Grid point 241 (113/115) ======================= q-point: (-0.22 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.405 ( 5.580 0.000 20.728) 21.466 0.538 ( -1.052 -0.000 13.577) 13.618 1.229 ( 7.852 0.000 -5.576) 9.630 1.302 ( 8.739 0.000 0.722) 8.768 1.467 ( -6.510 -0.000 9.906) 11.854 1.520 ( 1.041 0.000 -12.187) 12.231 1.556 ( -7.257 -0.000 4.874) 8.742 1.721 ( 12.049 0.000 -1.835) 12.188 1.785 ( -4.179 -0.000 0.677) 4.234 2.056 ( -0.116 -0.000 -2.387) 2.390 2.075 ( 2.674 0.000 2.184) 3.453 2.147 ( 3.699 0.000 2.244) 4.326 2.190 ( -3.628 -0.000 -6.962) 7.850 2.308 ( 5.791 0.000 3.908) 6.986 2.360 ( -0.384 -0.000 -1.402) 1.454 2.364 ( -0.858 -0.000 1.050) 1.356 2.521 ( -2.527 -0.000 -15.386) 15.593 2.534 ( -4.149 -0.000 -0.836) 4.232 2.597 ( -5.703 -0.000 -1.794) 5.978 2.661 ( -8.528 -0.000 0.071) 8.528 2.863 ( -0.782 -0.000 1.570) 1.754 2.969 ( -2.989 -0.000 -3.692) 4.750 3.092 ( 2.676 0.000 -0.796) 2.792 3.102 ( -1.210 -0.000 3.932) 4.113 3.186 ( -3.175 -0.000 4.923) 5.858 3.273 ( 3.457 0.000 2.291) 4.147 3.291 ( 0.119 0.000 -4.814) 4.816 3.351 ( 1.921 0.000 1.302) 2.321 3.454 ( 3.127 0.000 1.527) 3.480 3.567 ( 3.952 0.000 0.470) 3.980 3.593 ( -0.369 -0.000 2.472) 2.499 3.629 ( -1.460 -0.000 -1.998) 2.474 3.790 ( 3.228 0.000 1.014) 3.383 3.846 ( 6.895 0.000 1.209) 7.000 3.885 ( -2.820 -0.000 2.394) 3.699 3.976 ( 0.577 0.000 -0.738) 0.937 4.300 ( 3.756 0.000 2.415) 4.465 4.316 ( 7.876 0.000 1.576) 8.032 4.418 ( 2.359 0.000 -0.375) 2.388 4.462 ( 2.964 0.000 0.058) 2.965 9.050 ( -3.576 -0.000 -0.204) 3.581 9.058 ( -3.763 -0.000 0.066) 3.764 10.053 ( -80.148 -0.000 19.367) 82.455 11.702 ( -17.153 -0.000 -26.412) 31.493 12.471 ( 2.801 0.000 1.646) 3.249 12.490 ( 2.747 0.000 -1.335) 3.054 12.678 ( -2.929 -0.000 0.824) 3.043 12.705 ( -2.278 -0.000 -0.637) 2.365 13.735 ( -34.889 -0.000 5.206) 35.275 14.815 ( -45.595 -0.000 -38.370) 59.592 15.100 ( -1.433 -0.000 -0.460) 1.505 15.183 ( -16.552 -0.000 -11.177) 19.973 17.068 ( 1.118 0.000 -0.550) 1.246 17.119 ( -0.627 -0.000 -0.090) 0.634 17.218 ( -0.645 -0.000 -0.597) 0.879 17.267 ( 3.463 0.000 -0.777) 3.549 17.296 ( -1.213 -0.000 -0.768) 1.435 17.370 ( 2.709 0.000 1.001) 2.888 17.633 ( 5.382 0.000 -1.497) 5.586 17.682 ( 2.948 0.000 1.098) 3.146 19.860 ( -14.239 -0.000 2.514) 14.459 20.419 ( 1.812 0.000 -1.714) 2.494 20.519 ( -5.719 -0.000 4.885) 7.521 21.120 ( -42.261 -0.000 -63.351) 76.154 27.180 ( 1.777 0.000 -0.857) 1.973 27.205 ( 1.321 0.000 0.860) 1.577 27.424 ( -0.034 -0.000 -0.308) 0.310 27.448 ( -0.347 -0.000 -1.836) 1.869 30.505 ( 0.869 0.000 4.902) 4.978 30.566 ( 2.593 0.000 -4.607) 5.287 33.278 ( -2.751 -0.000 5.968) 6.572 33.407 ( -0.457 -0.000 -5.930) 5.948 33.882 ( -0.439 -0.000 -4.244) 4.267 33.930 ( -0.267 -0.000 2.013) 2.030 34.073 ( 0.522 0.000 -0.955) 1.088 34.111 ( -1.392 -0.000 0.525) 1.488 34.617 ( 3.993 0.000 -1.795) 4.378 34.634 ( 8.114 0.000 7.181) 10.835 35.785 ( 7.000 0.000 -5.003) 8.604 35.806 ( 9.517 0.000 8.088) 12.489 39.439 ( 6.126 0.000 -15.588) 16.748 39.565 ( 6.756 0.000 9.957) 12.033 45.388 ( -0.866 -0.000 0.907) 1.254 45.395 ( -1.609 -0.000 -1.787) 2.405 ======================= Grid point 242 (114/115) ======================= q-point: (-0.11 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 3.784 -7.999 9.037) 12.647 0.749 ( 4.359 -14.846 15.437) 21.857 1.203 ( -4.213 9.882 0.281) 10.746 1.294 ( 9.796 2.723 -6.037) 11.824 1.414 ( -6.229 0.119 4.678) 7.791 1.515 ( -6.970 -1.711 4.809) 8.639 1.566 ( 4.613 -3.514 -4.858) 7.565 1.738 ( 1.521 0.108 -0.007) 1.525 1.906 ( 6.513 -6.427 -0.180) 9.152 2.005 ( -0.671 2.402 -2.772) 3.728 2.040 ( -0.795 6.579 5.873) 8.855 2.130 ( -2.599 1.854 -2.948) 4.345 2.183 ( 1.788 -1.107 -5.840) 6.207 2.321 ( 3.150 0.414 2.982) 4.357 2.360 ( 2.698 -1.696 -3.717) 4.896 2.383 ( 0.532 0.378 0.743) 0.989 2.483 ( 0.167 -0.187 -8.507) 8.511 2.538 ( -5.610 -0.024 0.024) 5.610 2.580 ( -4.534 -4.602 -4.312) 7.767 2.676 ( -6.035 -4.762 -3.189) 8.323 2.847 ( 0.027 0.302 1.607) 1.636 2.939 ( -2.660 0.191 -2.284) 3.511 3.106 ( 0.420 -0.991 -0.286) 1.113 3.129 ( 0.284 -1.194 3.079) 3.314 3.200 ( -1.572 -2.975 2.945) 4.472 3.285 ( 0.729 -0.235 -4.507) 4.571 3.325 ( 4.280 -1.401 1.564) 4.768 3.391 ( 1.166 -2.300 2.052) 3.295 3.431 ( 1.517 2.028 0.726) 2.634 3.575 ( 1.856 1.255 0.813) 2.383 3.623 ( -2.357 0.769 -2.157) 3.286 3.638 ( 1.098 -1.588 3.080) 3.635 3.769 ( 6.111 3.607 -0.010) 7.096 3.860 ( -1.255 -0.375 0.885) 1.580 3.924 ( 2.391 -1.681 2.589) 3.905 3.982 ( 0.114 -0.608 1.396) 1.527 4.257 ( 3.843 3.779 2.930) 6.134 4.334 ( 5.476 4.068 0.538) 6.843 4.513 ( 3.184 -4.685 0.374) 5.677 4.542 ( 3.315 -2.919 0.833) 4.495 8.981 ( -12.264 4.892 1.456) 13.284 9.054 ( -4.319 -1.816 0.740) 4.743 9.287 ( -54.102 10.263 2.814) 55.139 11.485 ( -35.598 -3.205 -25.886) 44.131 12.475 ( 2.686 1.341 0.637) 3.069 12.534 ( 3.599 -1.707 -0.246) 3.991 12.634 ( -3.763 1.624 0.399) 4.118 12.702 ( -2.479 -1.181 -0.394) 2.774 13.441 ( -17.411 5.918 -0.415) 18.394 14.352 ( -60.084 -3.286 -28.337) 66.512 15.093 ( -1.313 -0.786 -0.490) 1.607 15.134 ( -5.008 -2.063 0.037) 5.417 17.074 ( 0.610 -0.000 -0.718) 0.942 17.105 ( -0.918 0.783 -0.416) 1.276 17.222 ( 0.262 -0.467 -0.170) 0.562 17.282 ( -0.638 0.268 -0.157) 0.709 17.289 ( 2.384 -0.004 -0.557) 2.448 17.391 ( 0.973 -0.337 -0.065) 1.031 17.642 ( 5.551 2.357 -0.136) 6.032 17.716 ( 2.116 -0.799 0.327) 2.285 19.781 ( -7.982 -1.285 0.256) 8.088 20.404 ( -2.218 2.974 -1.882) 4.160 20.444 ( -3.579 1.854 -0.567) 4.071 20.768 ( -37.726 -3.443 -32.461) 49.888 27.173 ( 1.865 1.143 -0.368) 2.218 27.231 ( 0.053 -1.004 0.269) 1.041 27.423 ( -0.071 -0.292 0.218) 0.371 27.456 ( -0.252 -1.048 -1.807) 2.104 30.496 ( 1.286 2.145 2.675) 3.662 30.583 ( 1.561 -0.191 -2.345) 2.823 33.258 ( -2.244 0.924 5.608) 6.111 33.372 ( -0.055 2.203 -5.288) 5.729 33.824 ( -1.825 5.164 5.388) 7.682 33.934 ( 0.902 0.220 -3.344) 3.471 34.039 ( 1.456 -0.158 -0.723) 1.633 34.180 ( -3.710 -5.470 -1.507) 6.779 34.596 ( 5.479 -0.155 4.757) 7.258 34.850 ( 4.275 -9.502 -4.283) 11.265 35.787 ( 6.015 3.501 0.974) 7.028 35.890 ( 7.883 0.287 0.512) 7.904 39.423 ( -0.601 -5.223 13.095) 14.111 39.997 ( 12.285 -26.727 -26.900) 39.860 45.379 ( -1.166 0.195 -0.357) 1.235 45.381 ( -0.992 0.104 0.101) 1.003 ======================= Grid point 251 (115/115) ======================= q-point: (-0.11 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 5.373 0.000 17.586) 18.388 0.643 ( 13.419 0.000 24.102) 27.586 1.322 ( 5.257 0.000 -4.093) 6.662 1.335 ( -4.905 -0.000 -14.306) 15.124 1.418 ( -1.968 -0.000 23.484) 23.566 1.460 ( -7.904 -0.000 3.553) 8.666 1.535 ( 5.010 0.000 -8.199) 9.609 1.800 ( 4.456 0.000 2.675) 5.197 1.838 ( 4.860 0.000 -2.653) 5.537 2.032 ( -2.180 -0.000 -2.918) 3.643 2.123 ( -0.046 -0.000 -12.141) 12.141 2.128 ( 3.500 0.000 2.980) 4.597 2.153 ( -4.762 -0.000 -5.364) 7.173 2.314 ( -1.070 -0.000 -4.038) 4.177 2.369 ( 2.032 0.000 -0.018) 2.032 2.400 ( -5.455 -0.000 -7.831) 9.544 2.420 ( 1.469 0.000 4.204) 4.454 2.469 ( -3.466 -0.000 1.219) 3.674 2.534 ( -2.027 -0.000 -1.189) 2.350 2.578 ( -1.483 -0.000 -2.905) 3.262 2.857 ( -1.042 -0.000 2.525) 2.732 2.929 ( -1.034 -0.000 -2.854) 3.035 3.094 ( -0.591 -0.000 2.087) 2.169 3.122 ( 1.972 0.000 -1.798) 2.669 3.158 ( -2.790 -0.000 5.036) 5.757 3.269 ( -0.232 -0.000 -5.166) 5.171 3.341 ( 3.194 0.000 3.371) 4.644 3.396 ( 3.172 0.000 0.490) 3.210 3.503 ( 2.174 0.000 1.460) 2.619 3.588 ( -0.918 -0.000 -5.134) 5.216 3.610 ( 2.585 0.000 0.094) 2.587 3.622 ( 1.299 0.000 2.802) 3.089 3.852 ( -0.026 -0.000 1.324) 1.324 3.856 ( 2.409 0.000 3.502) 4.251 3.916 ( 1.486 0.000 0.701) 1.643 3.969 ( -0.982 -0.000 -1.009) 1.408 4.410 ( 10.312 0.000 0.626) 10.331 4.439 ( 4.263 0.000 2.495) 4.939 4.476 ( 5.937 0.000 5.156) 7.863 4.505 ( 4.558 0.000 0.612) 4.599 8.978 ( -59.039 -0.000 8.960) 59.715 9.006 ( -2.177 -0.000 -0.158) 2.183 9.010 ( -2.737 -0.000 0.105) 2.739 10.825 ( -98.230 -0.000 -50.688) 110.536 12.523 ( 3.476 0.000 1.679) 3.860 12.531 ( 3.470 0.000 -1.239) 3.685 12.628 ( -4.194 -0.000 0.614) 4.238 12.663 ( -3.058 -0.000 -0.858) 3.176 13.396 ( -13.482 -0.000 -0.738) 13.502 13.746 ( -57.973 -0.000 -23.072) 62.395 15.081 ( -0.761 -0.000 -0.555) 0.942 15.084 ( -2.574 -0.000 0.436) 2.611 17.084 ( 1.128 0.000 -0.274) 1.160 17.108 ( -0.749 -0.000 -0.140) 0.762 17.219 ( 0.762 0.000 0.040) 0.763 17.273 ( -1.557 -0.000 -0.742) 1.724 17.315 ( 3.168 0.000 -0.161) 3.172 17.385 ( -0.565 -0.000 -0.075) 0.570 17.706 ( 4.488 0.000 -0.882) 4.574 17.719 ( 1.495 0.000 0.983) 1.789 19.717 ( -4.975 -0.000 -0.423) 4.993 20.260 ( -45.426 -0.000 -26.953) 52.820 20.443 ( 1.506 0.000 -1.496) 2.123 20.468 ( -3.315 -0.000 2.721) 4.289 27.204 ( 1.721 0.000 -0.522) 1.799 27.219 ( 0.252 0.000 0.602) 0.653 27.424 ( 0.118 0.000 -0.289) 0.312 27.435 ( -0.776 -0.000 -0.814) 1.125 30.527 ( -0.118 -0.000 4.374) 4.375 30.592 ( 2.640 0.000 -3.906) 4.715 33.259 ( -2.383 -0.000 5.759) 6.232 33.383 ( 0.008 0.000 -5.981) 5.981 33.883 ( 1.887 0.000 -2.509) 3.139 33.924 ( -1.615 -0.000 0.923) 1.860 34.074 ( -0.024 -0.000 -0.301) 0.302 34.085 ( -1.715 -0.000 0.128) 1.719 34.669 ( 3.307 0.000 0.077) 3.308 34.734 ( 3.285 0.000 0.630) 3.345 35.879 ( 7.357 0.000 -3.113) 7.989 35.948 ( 5.408 0.000 2.560) 5.984 39.503 ( 9.181 0.000 -13.508) 16.332 39.596 ( -7.130 -0.000 3.653) 8.012 45.370 ( -0.841 -0.000 -0.458) 0.957 45.377 ( -0.866 -0.000 0.606) 1.057 =================== 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 3/34020 10.0 5.408 5.820 8.057 0.000 2.301 0.000 3/34020 20.0 1.832 1.936 2.719 0.000 0.596 0.000 3/34020 30.0 1.087 1.108 1.527 0.000 0.292 0.000 3/34020 40.0 0.779 0.771 1.053 0.000 0.183 0.000 3/34020 50.0 0.613 0.592 0.805 0.000 0.131 0.000 3/34020 60.0 0.510 0.482 0.653 0.000 0.101 0.000 3/34020 70.0 0.439 0.407 0.551 0.000 0.082 0.000 3/34020 80.0 0.387 0.352 0.477 0.000 0.069 0.000 3/34020 90.0 0.346 0.310 0.420 0.000 0.059 0.000 3/34020 100.0 0.314 0.277 0.376 0.000 0.052 0.000 3/34020 110.0 0.287 0.251 0.340 0.000 0.046 0.000 3/34020 120.0 0.265 0.229 0.311 0.000 0.042 0.000 3/34020 130.0 0.246 0.210 0.286 0.000 0.038 0.000 3/34020 140.0 0.230 0.195 0.265 0.000 0.035 0.000 3/34020 150.0 0.216 0.181 0.247 0.000 0.032 0.000 3/34020 160.0 0.204 0.170 0.232 0.000 0.030 0.000 3/34020 170.0 0.193 0.160 0.218 0.000 0.028 0.000 3/34020 180.0 0.184 0.151 0.206 0.000 0.026 0.000 3/34020 190.0 0.175 0.143 0.195 0.000 0.025 0.000 3/34020 200.0 0.167 0.135 0.185 0.000 0.023 0.000 3/34020 210.0 0.160 0.129 0.177 0.000 0.022 0.000 3/34020 220.0 0.154 0.123 0.169 0.000 0.021 0.000 3/34020 230.0 0.148 0.118 0.162 0.000 0.020 0.000 3/34020 240.0 0.142 0.113 0.155 0.000 0.019 0.000 3/34020 250.0 0.137 0.109 0.149 0.000 0.018 0.000 3/34020 260.0 0.133 0.104 0.144 0.000 0.017 0.000 3/34020 270.0 0.128 0.101 0.139 0.000 0.017 0.000 3/34020 280.0 0.124 0.097 0.134 0.000 0.016 0.000 3/34020 290.0 0.120 0.094 0.130 0.000 0.015 0.000 3/34020 300.0 0.117 0.091 0.126 0.000 0.015 0.000 3/34020 310.0 0.113 0.088 0.122 0.000 0.014 0.000 3/34020 320.0 0.110 0.086 0.119 0.000 0.014 0.000 3/34020 330.0 0.107 0.083 0.115 0.000 0.013 0.000 3/34020 340.0 0.104 0.081 0.112 0.000 0.013 0.000 3/34020 350.0 0.102 0.079 0.109 0.000 0.012 0.000 3/34020 360.0 0.099 0.077 0.107 0.000 0.012 0.000 3/34020 370.0 0.097 0.075 0.104 0.000 0.012 0.000 3/34020 380.0 0.095 0.073 0.101 0.000 0.011 0.000 3/34020 390.0 0.092 0.071 0.099 0.000 0.011 0.000 3/34020 400.0 0.090 0.069 0.097 0.000 0.011 0.000 3/34020 410.0 0.088 0.068 0.095 0.000 0.010 0.000 3/34020 420.0 0.086 0.066 0.093 0.000 0.010 0.000 3/34020 430.0 0.085 0.065 0.091 0.000 0.010 0.000 3/34020 440.0 0.083 0.064 0.089 0.000 0.009 0.000 3/34020 450.0 0.081 0.062 0.087 0.000 0.009 0.000 3/34020 460.0 0.080 0.061 0.086 0.000 0.009 0.000 3/34020 470.0 0.078 0.060 0.084 0.000 0.009 0.000 3/34020 480.0 0.077 0.059 0.082 0.000 0.009 0.000 3/34020 490.0 0.075 0.058 0.081 0.000 0.008 0.000 3/34020 500.0 0.074 0.057 0.080 0.000 0.008 0.000 3/34020 510.0 0.073 0.056 0.078 0.000 0.008 0.000 3/34020 520.0 0.071 0.055 0.077 0.000 0.008 0.000 3/34020 530.0 0.070 0.054 0.076 0.000 0.008 0.000 3/34020 540.0 0.069 0.053 0.074 0.000 0.007 0.000 3/34020 550.0 0.068 0.052 0.073 0.000 0.007 0.000 3/34020 560.0 0.067 0.051 0.072 0.000 0.007 0.000 3/34020 570.0 0.065 0.050 0.071 0.000 0.007 0.000 3/34020 580.0 0.064 0.049 0.070 0.000 0.007 0.000 3/34020 590.0 0.063 0.049 0.069 0.000 0.007 0.000 3/34020 600.0 0.062 0.048 0.068 0.000 0.007 0.000 3/34020 610.0 0.062 0.047 0.067 0.000 0.006 0.000 3/34020 620.0 0.061 0.046 0.066 0.000 0.006 0.000 3/34020 630.0 0.060 0.046 0.065 0.000 0.006 0.000 3/34020 640.0 0.059 0.045 0.064 0.000 0.006 0.000 3/34020 650.0 0.058 0.044 0.063 0.000 0.006 0.000 3/34020 660.0 0.057 0.044 0.062 0.000 0.006 0.000 3/34020 670.0 0.056 0.043 0.061 0.000 0.006 0.000 3/34020 680.0 0.056 0.043 0.061 0.000 0.006 0.000 3/34020 690.0 0.055 0.042 0.060 0.000 0.006 0.000 3/34020 700.0 0.054 0.041 0.059 0.000 0.005 0.000 3/34020 710.0 0.053 0.041 0.058 0.000 0.005 0.000 3/34020 720.0 0.053 0.040 0.058 0.000 0.005 0.000 3/34020 730.0 0.052 0.040 0.057 0.000 0.005 0.000 3/34020 740.0 0.051 0.039 0.056 0.000 0.005 0.000 3/34020 750.0 0.051 0.039 0.056 0.000 0.005 0.000 3/34020 760.0 0.050 0.038 0.055 0.000 0.005 0.000 3/34020 770.0 0.050 0.038 0.054 0.000 0.005 0.000 3/34020 780.0 0.049 0.038 0.054 0.000 0.005 0.000 3/34020 790.0 0.048 0.037 0.053 0.000 0.005 0.000 3/34020 800.0 0.048 0.037 0.052 0.000 0.005 0.000 3/34020 810.0 0.047 0.036 0.052 0.000 0.005 0.000 3/34020 820.0 0.047 0.036 0.051 0.000 0.005 0.000 3/34020 830.0 0.046 0.035 0.051 0.000 0.004 0.000 3/34020 840.0 0.046 0.035 0.050 0.000 0.004 0.000 3/34020 850.0 0.045 0.035 0.050 0.000 0.004 0.000 3/34020 860.0 0.045 0.034 0.049 0.000 0.004 0.000 3/34020 870.0 0.044 0.034 0.048 0.000 0.004 0.000 3/34020 880.0 0.044 0.033 0.048 0.000 0.004 0.000 3/34020 890.0 0.043 0.033 0.047 0.000 0.004 0.000 3/34020 900.0 0.043 0.033 0.047 0.000 0.004 0.000 3/34020 910.0 0.042 0.032 0.047 0.000 0.004 0.000 3/34020 920.0 0.042 0.032 0.046 0.000 0.004 0.000 3/34020 930.0 0.041 0.032 0.046 0.000 0.004 0.000 3/34020 940.0 0.041 0.031 0.045 0.000 0.004 0.000 3/34020 950.0 0.041 0.031 0.045 0.000 0.004 0.000 3/34020 960.0 0.040 0.031 0.044 0.000 0.004 0.000 3/34020 970.0 0.040 0.031 0.044 0.000 0.004 0.000 3/34020 980.0 0.039 0.030 0.043 0.000 0.004 0.000 3/34020 990.0 0.039 0.030 0.043 0.000 0.004 0.000 3/34020 1000.0 0.039 0.030 0.043 0.000 0.004 0.000 3/34020 Thermal conductivity related properties were written into "kappa-m995.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:45:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|