----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:01:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.323999571200131 0.000000000000000 0.000000000000000 b 0.000000000000000 9.518212390000000 0.000000000000000 c -0.364190426694201 0.000000000000000 9.004561866973473 Atomic positions (fractional): *1 O 0.54989530584650 0.12714173318991 0.11963288749977 15.999 2 O 0.45010469415350 0.62714173318991 0.38036711250023 15.999 3 O 0.45010469415350 0.87285826681009 0.88036711250023 15.999 4 O 0.54989530584650 0.37285826681009 0.61963288749977 15.999 *5 O 0.79706932019818 0.36013808914259 0.00549627779591 15.999 6 O 0.20293067980182 0.86013808914259 0.49450372220409 15.999 7 O 0.20293067980182 0.63986191085741 0.99450372220409 15.999 8 O 0.79706932019818 0.13986191085741 0.50549627779591 15.999 *9 O 0.92992013586822 0.35818982052716 0.62211007550886 15.999 10 O 0.07007986413178 0.85818982052716 0.87788992449114 15.999 11 O 0.07007986413178 0.64181017947284 0.37788992449114 15.999 12 O 0.92992013586822 0.14181017947284 0.12211007550886 15.999 *13 O 0.43391524768655 0.19550722222791 0.37209316937873 15.999 14 O 0.56608475231345 0.69550722222791 0.12790683062127 15.999 15 O 0.56608475231345 0.80449277777209 0.62790683062127 15.999 16 O 0.43391524768655 0.30449277777209 0.87209316937873 15.999 *17 O 0.48313146911126 0.05366854490464 0.69022454546023 15.999 18 O 0.51686853088874 0.55366854490464 0.80977545453977 15.999 19 O 0.51686853088874 0.94633145509536 0.30977545453977 15.999 20 O 0.48313146911126 0.44633145509536 0.19022454546023 15.999 *21 O 0.02387371403527 0.38846160934669 0.19738928752508 15.999 22 O 0.97612628596473 0.88846160934669 0.30261071247492 15.999 23 O 0.97612628596473 0.61153839065331 0.80261071247492 15.999 24 O 0.02387371403527 0.11153839065331 0.69738928752508 15.999 *25 O 0.08150241963011 0.20797788649226 0.44630085406425 15.999 26 O 0.91849758036989 0.70797788649226 0.05369914593575 15.999 27 O 0.91849758036989 0.79202211350774 0.55369914593575 15.999 28 O 0.08150241963011 0.29202211350774 0.94630085406425 15.999 *29 O 0.26990282189105 0.06296312218361 0.17690677037598 15.999 30 O 0.73009717810895 0.56296312218361 0.32309322962402 15.999 31 O 0.73009717810895 0.93703687781639 0.82309322962402 15.999 32 O 0.26990282189105 0.43703687781639 0.67690677037598 15.999 *33 P 0.44094866754698 0.41605574725021 0.74823205857794 30.974 34 P 0.55905133245302 0.91605574725021 0.75176794142206 30.974 35 P 0.55905133245302 0.58394425274979 0.25176794142206 30.974 36 P 0.44094866754698 0.08394425274979 0.24823205857794 30.974 *37 P 0.95463110261850 0.20521488949923 0.56809468862221 30.974 38 P 0.04536889738150 0.70521488949923 0.93190531137779 30.974 39 P 0.04536889738150 0.79478511050077 0.43190531137779 30.974 40 P 0.95463110261850 0.29478511050077 0.06809468862221 30.974 *41 Zn 0.57973066109709 0.18044621065426 0.54931693953617 65.380 42 Zn 0.42026933890291 0.68044621065427 0.95068306046383 65.380 43 Zn 0.42026933890291 0.81955378934573 0.45068306046383 65.380 44 Zn 0.57973066109709 0.31955378934573 0.04931693953617 65.380 *45 Zn 0.92657976304667 0.92692377228934 0.71200503793760 65.380 46 Zn 0.07342023695333 0.42692377228934 0.78799496206240 65.380 47 Zn 0.07342023695333 0.07307622771066 0.28799496206240 65.380 48 Zn 0.92657976304667 0.57307622771066 0.21200503793760 65.380 *49 Sr 0.25444305283884 0.41831136605628 0.38947015101902 87.620 50 Sr 0.74555694716115 0.91831136605628 0.11052984898098 87.620 51 Sr 0.74555694716115 0.58168863394372 0.61052984898098 87.620 52 Sr 0.25444305283884 0.08168863394372 0.88947015101902 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.323999571200131 0.000000000000000 0.000000000000000 b 0.000000000000000 9.518212390000000 0.000000000000000 c -0.364190426694201 0.000000000000000 9.004561866973473 Atomic positions (fractional): *1 O 0.54989530584650 0.12714173318991 0.11963288749977 15.999 > 1 2 O 0.45010469415350 0.62714173318991 0.38036711250023 15.999 > 2 3 O 0.45010469415350 0.87285826681009 0.88036711250023 15.999 > 3 4 O 0.54989530584650 0.37285826681009 0.61963288749977 15.999 > 4 *5 O 0.79706932019818 0.36013808914259 0.00549627779591 15.999 > 5 6 O 0.20293067980182 0.86013808914259 0.49450372220409 15.999 > 6 7 O 0.20293067980182 0.63986191085741 0.99450372220409 15.999 > 7 8 O 0.79706932019818 0.13986191085741 0.50549627779591 15.999 > 8 *9 O 0.92992013586822 0.35818982052716 0.62211007550886 15.999 > 9 10 O 0.07007986413178 0.85818982052716 0.87788992449114 15.999 > 10 11 O 0.07007986413178 0.64181017947284 0.37788992449114 15.999 > 11 12 O 0.92992013586822 0.14181017947284 0.12211007550886 15.999 > 12 *13 O 0.43391524768655 0.19550722222791 0.37209316937873 15.999 > 13 14 O 0.56608475231345 0.69550722222791 0.12790683062127 15.999 > 14 15 O 0.56608475231345 0.80449277777209 0.62790683062127 15.999 > 15 16 O 0.43391524768655 0.30449277777209 0.87209316937873 15.999 > 16 *17 O 0.48313146911126 0.05366854490464 0.69022454546023 15.999 > 17 18 O 0.51686853088874 0.55366854490464 0.80977545453977 15.999 > 18 19 O 0.51686853088874 0.94633145509536 0.30977545453977 15.999 > 19 20 O 0.48313146911126 0.44633145509536 0.19022454546023 15.999 > 20 *21 O 0.02387371403527 0.38846160934669 0.19738928752508 15.999 > 21 22 O 0.97612628596473 0.88846160934669 0.30261071247492 15.999 > 22 23 O 0.97612628596473 0.61153839065331 0.80261071247492 15.999 > 23 24 O 0.02387371403527 0.11153839065331 0.69738928752508 15.999 > 24 *25 O 0.08150241963011 0.20797788649226 0.44630085406425 15.999 > 25 26 O 0.91849758036989 0.70797788649226 0.05369914593575 15.999 > 26 27 O 0.91849758036989 0.79202211350774 0.55369914593575 15.999 > 27 28 O 0.08150241963011 0.29202211350774 0.94630085406425 15.999 > 28 *29 O 0.26990282189105 0.06296312218361 0.17690677037598 15.999 > 29 30 O 0.73009717810895 0.56296312218361 0.32309322962402 15.999 > 30 31 O 0.73009717810895 0.93703687781639 0.82309322962402 15.999 > 31 32 O 0.26990282189105 0.43703687781639 0.67690677037598 15.999 > 32 *33 P 0.44094866754698 0.41605574725021 0.74823205857794 30.974 > 33 34 P 0.55905133245302 0.91605574725021 0.75176794142206 30.974 > 34 35 P 0.55905133245302 0.58394425274979 0.25176794142206 30.974 > 35 36 P 0.44094866754698 0.08394425274979 0.24823205857794 30.974 > 36 *37 P 0.95463110261850 0.20521488949923 0.56809468862221 30.974 > 37 38 P 0.04536889738150 0.70521488949923 0.93190531137779 30.974 > 38 39 P 0.04536889738150 0.79478511050077 0.43190531137779 30.974 > 39 40 P 0.95463110261850 0.29478511050077 0.06809468862221 30.974 > 40 *41 Zn 0.57973066109709 0.18044621065426 0.54931693953617 65.380 > 41 42 Zn 0.42026933890291 0.68044621065427 0.95068306046383 65.380 > 42 43 Zn 0.42026933890291 0.81955378934573 0.45068306046383 65.380 > 43 44 Zn 0.57973066109709 0.31955378934573 0.04931693953617 65.380 > 44 *45 Zn 0.92657976304667 0.92692377228934 0.71200503793760 65.380 > 45 46 Zn 0.07342023695333 0.42692377228934 0.78799496206240 65.380 > 46 47 Zn 0.07342023695333 0.07307622771066 0.28799496206240 65.380 > 47 48 Zn 0.92657976304667 0.57307622771066 0.21200503793760 65.380 > 48 *49 Sr 0.25444305283884 0.41831136605628 0.38947015101902 87.620 > 49 50 Sr 0.74555694716115 0.91831136605628 0.11052984898098 87.620 > 50 51 Sr 0.74555694716115 0.58168863394372 0.61052984898098 87.620 > 51 52 Sr 0.25444305283884 0.08168863394372 0.88947015101902 87.620 > 52 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.647999142400263 0.000000000000000 0.000000000000000 b 0.000000000000000 9.518212390000000 0.000000000000000 c -0.364190426694201 0.000000000000000 9.004561866973473 Atomic positions (fractional): *1 O 0.27494765292325 0.12714173318991 0.11963288749977 15.999 > 1 2 O 0.77494765292325 0.12714173318991 0.11963288749977 15.999 > 1 3 O 0.22505234707675 0.62714173318991 0.38036711250023 15.999 > 2 4 O 0.72505234707675 0.62714173318991 0.38036711250023 15.999 > 2 5 O 0.22505234707675 0.87285826681009 0.88036711250023 15.999 > 3 6 O 0.72505234707675 0.87285826681009 0.88036711250023 15.999 > 3 7 O 0.27494765292325 0.37285826681009 0.61963288749977 15.999 > 4 8 O 0.77494765292325 0.37285826681009 0.61963288749977 15.999 > 4 *9 O 0.39853466009909 0.36013808914259 0.00549627779591 15.999 > 5 10 O 0.89853466009909 0.36013808914259 0.00549627779591 15.999 > 5 11 O 0.10146533990091 0.86013808914259 0.49450372220409 15.999 > 6 12 O 0.60146533990091 0.86013808914259 0.49450372220409 15.999 > 6 13 O 0.10146533990091 0.63986191085741 0.99450372220409 15.999 > 7 14 O 0.60146533990091 0.63986191085741 0.99450372220409 15.999 > 7 15 O 0.39853466009909 0.13986191085741 0.50549627779591 15.999 > 8 16 O 0.89853466009909 0.13986191085741 0.50549627779591 15.999 > 8 *17 O 0.46496006793411 0.35818982052716 0.62211007550886 15.999 > 9 18 O 0.96496006793411 0.35818982052716 0.62211007550886 15.999 > 9 19 O 0.03503993206589 0.85818982052716 0.87788992449114 15.999 > 10 20 O 0.53503993206589 0.85818982052716 0.87788992449114 15.999 > 10 21 O 0.03503993206589 0.64181017947284 0.37788992449114 15.999 > 11 22 O 0.53503993206589 0.64181017947284 0.37788992449114 15.999 > 11 23 O 0.46496006793411 0.14181017947284 0.12211007550886 15.999 > 12 24 O 0.96496006793411 0.14181017947284 0.12211007550886 15.999 > 12 *25 O 0.21695762384328 0.19550722222791 0.37209316937873 15.999 > 13 26 O 0.71695762384328 0.19550722222791 0.37209316937873 15.999 > 13 27 O 0.28304237615672 0.69550722222791 0.12790683062127 15.999 > 14 28 O 0.78304237615672 0.69550722222791 0.12790683062127 15.999 > 14 29 O 0.28304237615672 0.80449277777209 0.62790683062127 15.999 > 15 30 O 0.78304237615672 0.80449277777209 0.62790683062127 15.999 > 15 31 O 0.21695762384328 0.30449277777209 0.87209316937873 15.999 > 16 32 O 0.71695762384328 0.30449277777209 0.87209316937873 15.999 > 16 *33 O 0.24156573455563 0.05366854490464 0.69022454546023 15.999 > 17 34 O 0.74156573455563 0.05366854490464 0.69022454546023 15.999 > 17 35 O 0.25843426544437 0.55366854490464 0.80977545453977 15.999 > 18 36 O 0.75843426544437 0.55366854490464 0.80977545453977 15.999 > 18 37 O 0.25843426544437 0.94633145509536 0.30977545453977 15.999 > 19 38 O 0.75843426544437 0.94633145509536 0.30977545453977 15.999 > 19 39 O 0.24156573455563 0.44633145509536 0.19022454546023 15.999 > 20 40 O 0.74156573455563 0.44633145509536 0.19022454546023 15.999 > 20 *41 O 0.01193685701763 0.38846160934669 0.19738928752508 15.999 > 21 42 O 0.51193685701763 0.38846160934669 0.19738928752508 15.999 > 21 43 O 0.48806314298237 0.88846160934669 0.30261071247492 15.999 > 22 44 O 0.98806314298237 0.88846160934669 0.30261071247492 15.999 > 22 45 O 0.48806314298237 0.61153839065331 0.80261071247492 15.999 > 23 46 O 0.98806314298237 0.61153839065331 0.80261071247492 15.999 > 23 47 O 0.01193685701763 0.11153839065331 0.69738928752508 15.999 > 24 48 O 0.51193685701763 0.11153839065331 0.69738928752508 15.999 > 24 *49 O 0.04075120981505 0.20797788649226 0.44630085406425 15.999 > 25 50 O 0.54075120981505 0.20797788649226 0.44630085406425 15.999 > 25 51 O 0.45924879018495 0.70797788649226 0.05369914593575 15.999 > 26 52 O 0.95924879018495 0.70797788649226 0.05369914593575 15.999 > 26 53 O 0.45924879018495 0.79202211350774 0.55369914593575 15.999 > 27 54 O 0.95924879018495 0.79202211350774 0.55369914593575 15.999 > 27 55 O 0.04075120981505 0.29202211350774 0.94630085406425 15.999 > 28 56 O 0.54075120981505 0.29202211350774 0.94630085406425 15.999 > 28 *57 O 0.13495141094553 0.06296312218361 0.17690677037598 15.999 > 29 58 O 0.63495141094553 0.06296312218361 0.17690677037598 15.999 > 29 59 O 0.36504858905447 0.56296312218361 0.32309322962402 15.999 > 30 60 O 0.86504858905447 0.56296312218361 0.32309322962402 15.999 > 30 61 O 0.36504858905447 0.93703687781639 0.82309322962402 15.999 > 31 62 O 0.86504858905447 0.93703687781639 0.82309322962402 15.999 > 31 63 O 0.13495141094553 0.43703687781639 0.67690677037598 15.999 > 32 64 O 0.63495141094553 0.43703687781639 0.67690677037598 15.999 > 32 *65 P 0.22047433377349 0.41605574725021 0.74823205857794 30.974 > 33 66 P 0.72047433377349 0.41605574725021 0.74823205857794 30.974 > 33 67 P 0.27952566622651 0.91605574725021 0.75176794142206 30.974 > 34 68 P 0.77952566622651 0.91605574725021 0.75176794142206 30.974 > 34 69 P 0.27952566622651 0.58394425274979 0.25176794142206 30.974 > 35 70 P 0.77952566622651 0.58394425274979 0.25176794142206 30.974 > 35 71 P 0.22047433377349 0.08394425274979 0.24823205857794 30.974 > 36 72 P 0.72047433377349 0.08394425274979 0.24823205857794 30.974 > 36 *73 P 0.47731555130925 0.20521488949923 0.56809468862221 30.974 > 37 74 P 0.97731555130925 0.20521488949923 0.56809468862221 30.974 > 37 75 P 0.02268444869075 0.70521488949923 0.93190531137779 30.974 > 38 76 P 0.52268444869075 0.70521488949923 0.93190531137779 30.974 > 38 77 P 0.02268444869075 0.79478511050077 0.43190531137779 30.974 > 39 78 P 0.52268444869075 0.79478511050077 0.43190531137779 30.974 > 39 79 P 0.47731555130925 0.29478511050077 0.06809468862221 30.974 > 40 80 P 0.97731555130925 0.29478511050077 0.06809468862221 30.974 > 40 *81 Zn 0.28986533054855 0.18044621065426 0.54931693953617 65.380 > 41 82 Zn 0.78986533054855 0.18044621065426 0.54931693953617 65.380 > 41 83 Zn 0.21013466945146 0.68044621065427 0.95068306046383 65.380 > 42 84 Zn 0.71013466945145 0.68044621065427 0.95068306046383 65.380 > 42 85 Zn 0.21013466945146 0.81955378934573 0.45068306046383 65.380 > 43 86 Zn 0.71013466945145 0.81955378934573 0.45068306046383 65.380 > 43 87 Zn 0.28986533054855 0.31955378934573 0.04931693953617 65.380 > 44 88 Zn 0.78986533054855 0.31955378934573 0.04931693953617 65.380 > 44 *89 Zn 0.46328988152334 0.92692377228934 0.71200503793760 65.380 > 45 90 Zn 0.96328988152334 0.92692377228934 0.71200503793760 65.380 > 45 91 Zn 0.03671011847666 0.42692377228934 0.78799496206240 65.380 > 46 92 Zn 0.53671011847666 0.42692377228934 0.78799496206240 65.380 > 46 93 Zn 0.03671011847666 0.07307622771066 0.28799496206240 65.380 > 47 94 Zn 0.53671011847666 0.07307622771066 0.28799496206240 65.380 > 47 95 Zn 0.46328988152334 0.57307622771066 0.21200503793760 65.380 > 48 96 Zn 0.96328988152334 0.57307622771066 0.21200503793760 65.380 > 48 *97 Sr 0.12722152641942 0.41831136605628 0.38947015101902 87.620 > 49 98 Sr 0.62722152641942 0.41831136605628 0.38947015101902 87.620 > 49 99 Sr 0.37277847358058 0.91831136605628 0.11052984898098 87.620 > 50 100 Sr 0.87277847358058 0.91831136605628 0.11052984898098 87.620 > 50 101 Sr 0.37277847358058 0.58168863394372 0.61052984898098 87.620 > 51 102 Sr 0.87277847358058 0.58168863394372 0.61052984898098 87.620 > 51 103 Sr 0.12722152641942 0.08168863394372 0.88947015101902 87.620 > 52 104 Sr 0.62722152641942 0.08168863394372 0.88947015101902 87.620 > 52 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7855316 0.0000000 -0.0260794 0.0000000 2.8147769 0.0000000 -0.0260842 0.0000000 2.7716558 -------------------------- Born effective charges -------------------------- 1 O -1.6535282 -0.1939209 0.5288486 -0.1591583 -1.7325041 0.4628028 0.5644047 0.3694533 -1.7770626 2 O -1.6535282 0.1939209 0.5288486 0.1591583 -1.7325041 -0.4628028 0.5644047 -0.3694533 -1.7770626 3 O -1.6535282 -0.1939209 0.5288486 -0.1591583 -1.7325041 0.4628028 0.5644047 0.3694533 -1.7770626 4 O -1.6535282 0.1939209 0.5288486 0.1591583 -1.7325041 -0.4628028 0.5644047 -0.3694533 -1.7770626 5 O -2.4282125 0.3230722 -0.2787327 0.2247199 -1.1958788 0.0457992 -0.1228465 0.1165092 -1.1094890 6 O -2.4282125 -0.3230722 -0.2787327 -0.2247199 -1.1958788 -0.0457992 -0.1228465 -0.1165092 -1.1094890 7 O -2.4282125 0.3230722 -0.2787327 0.2247199 -1.1958788 0.0457992 -0.1228465 0.1165092 -1.1094890 8 O -2.4282125 -0.3230722 -0.2787327 -0.2247199 -1.1958788 -0.0457992 -0.1228465 -0.1165092 -1.1094890 9 O -1.2792315 0.0221973 -0.1786450 0.2289461 -2.4008317 -0.4953710 -0.0688520 -0.5986727 -1.4653542 10 O -1.2792315 -0.0221973 -0.1786450 -0.2289461 -2.4008317 0.4953710 -0.0688520 0.5986727 -1.4653542 11 O -1.2792315 0.0221973 -0.1786450 0.2289461 -2.4008317 -0.4953710 -0.0688520 -0.5986727 -1.4653542 12 O -1.2792315 -0.0221973 -0.1786450 -0.2289461 -2.4008317 0.4953710 -0.0688520 0.5986727 -1.4653542 13 O -1.2351214 0.1153054 -0.2403330 0.2000667 -1.6964055 -0.4788341 -0.2083205 -0.6307993 -2.0100961 14 O -1.2351214 -0.1153054 -0.2403330 -0.2000667 -1.6964055 0.4788341 -0.2083205 0.6307993 -2.0100961 15 O -1.2351214 0.1153054 -0.2403330 0.2000667 -1.6964055 -0.4788341 -0.2083205 -0.6307993 -2.0100961 16 O -1.2351214 -0.1153054 -0.2403330 -0.2000667 -1.6964055 0.4788341 -0.2083205 0.6307993 -2.0100961 17 O -1.3199099 0.1917652 0.1302703 0.2749201 -2.1019325 0.5603730 0.1091210 0.4651202 -1.4710700 18 O -1.3199099 -0.1917652 0.1302703 -0.2749201 -2.1019325 -0.5603730 0.1091210 -0.4651202 -1.4710700 19 O -1.3199099 0.1917652 0.1302703 0.2749201 -2.1019325 0.5603730 0.1091210 0.4651202 -1.4710700 20 O -1.3199099 -0.1917652 0.1302703 -0.2749201 -2.1019325 -0.5603730 0.1091210 -0.4651202 -1.4710700 21 O -1.3156888 -0.0006738 -0.3816149 -0.1139634 -1.9814145 -0.6596178 -0.4194623 -0.4948523 -1.7456938 22 O -1.3156888 0.0006738 -0.3816149 0.1139634 -1.9814145 0.6596178 -0.4194623 0.4948523 -1.7456938 23 O -1.3156888 -0.0006738 -0.3816149 -0.1139634 -1.9814145 -0.6596178 -0.4194623 -0.4948523 -1.7456938 24 O -1.3156888 0.0006738 -0.3816149 0.1139634 -1.9814145 0.6596178 -0.4194623 0.4948523 -1.7456938 25 O -1.6630259 -0.2078284 0.6455004 -0.1183008 -1.3855250 -0.1175392 0.8285959 -0.1821467 -2.0028339 26 O -1.6630259 0.2078284 0.6455004 0.1183008 -1.3855250 0.1175392 0.8285959 0.1821467 -2.0028339 27 O -1.6630259 -0.2078284 0.6455004 -0.1183008 -1.3855250 -0.1175392 0.8285959 -0.1821467 -2.0028339 28 O -1.6630259 0.2078284 0.6455004 0.1183008 -1.3855250 0.1175392 0.8285959 0.1821467 -2.0028339 29 O -2.3821769 -0.0985047 -0.2371208 -0.0467047 -0.9724968 -0.0047448 -0.1898840 -0.0849151 -1.6225945 30 O -2.3821769 0.0985047 -0.2371208 0.0467047 -0.9724968 0.0047448 -0.1898840 0.0849151 -1.6225945 31 O -2.3821769 -0.0985047 -0.2371208 -0.0467047 -0.9724968 -0.0047448 -0.1898840 -0.0849151 -1.6225945 32 O -2.3821769 0.0985047 -0.2371208 0.0467047 -0.9724968 0.0047448 -0.1898840 0.0849151 -1.6225945 33 P 3.2779661 -0.1692245 0.1292295 0.1536946 3.0888112 0.2185122 -0.1294501 -0.1808462 3.3349290 34 P 3.2779661 0.1692245 0.1292295 -0.1536946 3.0888112 -0.2185122 -0.1294501 0.1808462 3.3349290 35 P 3.2779661 -0.1692245 0.1292295 0.1536946 3.0888112 0.2185122 -0.1294501 -0.1808462 3.3349290 36 P 3.2779661 0.1692245 0.1292295 -0.1536946 3.0888112 -0.2185122 -0.1294501 0.1808462 3.3349290 37 P 3.1965232 0.4400061 0.0295811 -0.2741409 3.4468636 -0.1669249 -0.5314137 0.1496423 3.2907417 38 P 3.1965232 -0.4400061 0.0295811 0.2741409 3.4468636 0.1669249 -0.5314137 -0.1496423 3.2907417 39 P 3.1965232 0.4400061 0.0295811 -0.2741409 3.4468636 -0.1669249 -0.5314137 0.1496423 3.2907417 40 P 3.1965232 -0.4400061 0.0295811 0.2741409 3.4468636 0.1669249 -0.5314137 -0.1496423 3.2907417 41 Zn 2.1416543 -0.2030289 0.0130707 0.1261037 2.1065922 -0.0464336 0.1475461 0.0931197 2.0715995 42 Zn 2.1416543 0.2030289 0.0130707 -0.1261037 2.1065922 0.0464336 0.1475461 -0.0931197 2.0715995 43 Zn 2.1416543 -0.2030289 0.0130707 0.1261037 2.1065922 -0.0464336 0.1475461 0.0931197 2.0715995 44 Zn 2.1416543 0.2030289 0.0130707 -0.1261037 2.1065922 0.0464336 0.1475461 -0.0931197 2.0715995 45 Zn 1.9722369 -0.1364099 -0.2069382 -0.0273481 2.1421447 -0.2096701 0.0023877 -0.0014691 2.0452284 46 Zn 1.9722369 0.1364099 -0.2069382 0.0273481 2.1421447 0.2096701 0.0023877 0.0014691 2.0452284 47 Zn 1.9722369 -0.1364099 -0.2069382 -0.0273481 2.1421447 -0.2096701 0.0023877 -0.0014691 2.0452284 48 Zn 1.9722369 0.1364099 -0.2069382 0.0273481 2.1421447 0.2096701 0.0023877 0.0014691 2.0452284 49 Sr 2.6885145 0.1644066 0.0468841 0.1025426 2.6825771 -0.1621469 0.0181738 -0.1692919 2.4616956 50 Sr 2.6885145 -0.1644066 0.0468841 -0.1025426 2.6825771 0.1621469 0.0181738 0.1692919 2.4616956 51 Sr 2.6885145 0.1644066 0.0468841 0.1025426 2.6825771 -0.1621469 0.0181738 -0.1692919 2.4616956 52 Sr 2.6885145 -0.1644066 0.0468841 -0.1025426 2.6825771 0.1621469 0.0181738 0.1692919 2.4616956 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1600 - Time: 2.321 Solver_block: 200 / 1600 - Time: 2.371 Solver_block: 300 / 1600 - Time: 2.084 Solver_block: 400 / 1600 - Time: 2.418 Solver_block: 500 / 1600 - Time: 2.596 Solver_block: 600 / 1600 - Time: 2.237 Solver_block: 700 / 1600 - Time: 2.106 Solver_block: 800 / 1600 - Time: 2.045 Solver_block: 900 / 1600 - Time: 2.033 Solver_block: 1000 / 1600 - Time: 1.551 Solver_block: 1100 / 1600 - Time: 1.373 Solver_block: 1200 / 1600 - Time: 1.388 Solver_block: 1300 / 1600 - Time: 1.367 Solver_block: 1400 / 1600 - Time: 1.449 Solver_block: 1500 / 1600 - Time: 1.317 Solver_block: 1600 / 1600 - Time: 1.764 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 31.559 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 24492/24492 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6240 Number of blocks in projector: 6240 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: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1352 / 1352 (1) 326 eigenvectors found. (1) Complementary block size: 74 (1) Compute compressed projector. (1) Use standard solver. (1) 48 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1352 Use submatrix version of eigh solver. (1) Block: 500 / 1352 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1352 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1352 / 1352 (1) 339 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 728 Use submatrix version of eigh solver. (1) Block: 500 / 728 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 728 / 728 (1) 215 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (6240, 6124), data: False |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (728, 715), data: False |-- (728, 13), data: (728, 26) @ (26, 13) |-- (228, 215), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (1352, 1327), data: False |-- (1352, 34), data: (1352, 59) @ (59, 34) |-- (352, 339), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (1352, 1326), data: False |-- (1352, 48), data: (1352, 74) @ (74, 48) |-- (352, 326), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:03:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:03:52]------------------------- 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): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.323999571200131 0.000000000000000 0.000000000000000 b 0.000000000000000 9.518212390000000 0.000000000000000 c -0.364190426694201 0.000000000000000 9.004561866973473 Atomic positions (fractional): 1 O 0.54989530584650 0.12714173318991 0.11963288749977 15.999 2 O 0.45010469415350 0.62714173318991 0.38036711250023 15.999 3 O 0.45010469415350 0.87285826681009 0.88036711250023 15.999 4 O 0.54989530584650 0.37285826681009 0.61963288749977 15.999 5 O 0.79706932019818 0.36013808914259 0.00549627779591 15.999 6 O 0.20293067980182 0.86013808914259 0.49450372220409 15.999 7 O 0.20293067980182 0.63986191085741 0.99450372220409 15.999 8 O 0.79706932019818 0.13986191085741 0.50549627779591 15.999 9 O 0.92992013586822 0.35818982052716 0.62211007550886 15.999 10 O 0.07007986413178 0.85818982052716 0.87788992449114 15.999 11 O 0.07007986413178 0.64181017947284 0.37788992449114 15.999 12 O 0.92992013586822 0.14181017947284 0.12211007550886 15.999 13 O 0.43391524768655 0.19550722222791 0.37209316937873 15.999 14 O 0.56608475231345 0.69550722222791 0.12790683062127 15.999 15 O 0.56608475231345 0.80449277777209 0.62790683062127 15.999 16 O 0.43391524768655 0.30449277777209 0.87209316937873 15.999 17 O 0.48313146911126 0.05366854490464 0.69022454546023 15.999 18 O 0.51686853088874 0.55366854490464 0.80977545453977 15.999 19 O 0.51686853088874 0.94633145509536 0.30977545453977 15.999 20 O 0.48313146911126 0.44633145509536 0.19022454546023 15.999 21 O 0.02387371403527 0.38846160934669 0.19738928752508 15.999 22 O 0.97612628596473 0.88846160934669 0.30261071247492 15.999 23 O 0.97612628596473 0.61153839065331 0.80261071247492 15.999 24 O 0.02387371403527 0.11153839065331 0.69738928752508 15.999 25 O 0.08150241963011 0.20797788649226 0.44630085406425 15.999 26 O 0.91849758036989 0.70797788649226 0.05369914593575 15.999 27 O 0.91849758036989 0.79202211350774 0.55369914593575 15.999 28 O 0.08150241963011 0.29202211350774 0.94630085406425 15.999 29 O 0.26990282189105 0.06296312218361 0.17690677037598 15.999 30 O 0.73009717810895 0.56296312218361 0.32309322962402 15.999 31 O 0.73009717810895 0.93703687781639 0.82309322962402 15.999 32 O 0.26990282189105 0.43703687781639 0.67690677037598 15.999 33 P 0.44094866754698 0.41605574725021 0.74823205857794 30.974 34 P 0.55905133245302 0.91605574725021 0.75176794142206 30.974 35 P 0.55905133245302 0.58394425274979 0.25176794142206 30.974 36 P 0.44094866754698 0.08394425274979 0.24823205857794 30.974 37 P 0.95463110261850 0.20521488949923 0.56809468862221 30.974 38 P 0.04536889738150 0.70521488949923 0.93190531137779 30.974 39 P 0.04536889738150 0.79478511050077 0.43190531137779 30.974 40 P 0.95463110261850 0.29478511050077 0.06809468862221 30.974 41 Zn 0.57973066109709 0.18044621065426 0.54931693953617 65.380 42 Zn 0.42026933890291 0.68044621065427 0.95068306046383 65.380 43 Zn 0.42026933890291 0.81955378934573 0.45068306046383 65.380 44 Zn 0.57973066109709 0.31955378934573 0.04931693953617 65.380 45 Zn 0.92657976304667 0.92692377228934 0.71200503793760 65.380 46 Zn 0.07342023695333 0.42692377228934 0.78799496206240 65.380 47 Zn 0.07342023695333 0.07307622771066 0.28799496206240 65.380 48 Zn 0.92657976304667 0.57307622771066 0.21200503793760 65.380 49 Sr 0.25444305283884 0.41831136605628 0.38947015101902 87.620 50 Sr 0.74555694716115 0.91831136605628 0.11052984898098 87.620 51 Sr 0.74555694716115 0.58168863394372 0.61052984898098 87.620 52 Sr 0.25444305283884 0.08168863394372 0.88947015101902 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.647999142400263 0.000000000000000 0.000000000000000 b 0.000000000000000 9.518212390000000 0.000000000000000 c -0.364190426694201 0.000000000000000 9.004561866973473 Atomic positions (fractional): 1 O 0.27494765292325 0.12714173318991 0.11963288749977 15.999 > 1 2 O 0.77494765292325 0.12714173318991 0.11963288749977 15.999 > 1 3 O 0.22505234707675 0.62714173318991 0.38036711250023 15.999 > 3 4 O 0.72505234707675 0.62714173318991 0.38036711250023 15.999 > 3 5 O 0.22505234707675 0.87285826681009 0.88036711250023 15.999 > 5 6 O 0.72505234707675 0.87285826681009 0.88036711250023 15.999 > 5 7 O 0.27494765292325 0.37285826681009 0.61963288749977 15.999 > 7 8 O 0.77494765292325 0.37285826681009 0.61963288749977 15.999 > 7 9 O 0.39853466009909 0.36013808914259 0.00549627779591 15.999 > 9 10 O 0.89853466009909 0.36013808914259 0.00549627779591 15.999 > 9 11 O 0.10146533990091 0.86013808914259 0.49450372220409 15.999 > 11 12 O 0.60146533990091 0.86013808914259 0.49450372220409 15.999 > 11 13 O 0.10146533990091 0.63986191085741 0.99450372220409 15.999 > 13 14 O 0.60146533990091 0.63986191085741 0.99450372220409 15.999 > 13 15 O 0.39853466009909 0.13986191085741 0.50549627779591 15.999 > 15 16 O 0.89853466009909 0.13986191085741 0.50549627779591 15.999 > 15 17 O 0.46496006793411 0.35818982052716 0.62211007550886 15.999 > 17 18 O 0.96496006793411 0.35818982052716 0.62211007550886 15.999 > 17 19 O 0.03503993206589 0.85818982052716 0.87788992449114 15.999 > 19 20 O 0.53503993206589 0.85818982052716 0.87788992449114 15.999 > 19 21 O 0.03503993206589 0.64181017947284 0.37788992449114 15.999 > 21 22 O 0.53503993206589 0.64181017947284 0.37788992449114 15.999 > 21 23 O 0.46496006793411 0.14181017947284 0.12211007550886 15.999 > 23 24 O 0.96496006793411 0.14181017947284 0.12211007550886 15.999 > 23 25 O 0.21695762384328 0.19550722222791 0.37209316937873 15.999 > 25 26 O 0.71695762384328 0.19550722222791 0.37209316937873 15.999 > 25 27 O 0.28304237615672 0.69550722222791 0.12790683062127 15.999 > 27 28 O 0.78304237615672 0.69550722222791 0.12790683062127 15.999 > 27 29 O 0.28304237615672 0.80449277777209 0.62790683062127 15.999 > 29 30 O 0.78304237615672 0.80449277777209 0.62790683062127 15.999 > 29 31 O 0.21695762384328 0.30449277777209 0.87209316937873 15.999 > 31 32 O 0.71695762384328 0.30449277777209 0.87209316937873 15.999 > 31 33 O 0.24156573455563 0.05366854490464 0.69022454546023 15.999 > 33 34 O 0.74156573455563 0.05366854490464 0.69022454546023 15.999 > 33 35 O 0.25843426544437 0.55366854490464 0.80977545453977 15.999 > 35 36 O 0.75843426544437 0.55366854490464 0.80977545453977 15.999 > 35 37 O 0.25843426544437 0.94633145509536 0.30977545453977 15.999 > 37 38 O 0.75843426544437 0.94633145509536 0.30977545453977 15.999 > 37 39 O 0.24156573455563 0.44633145509536 0.19022454546023 15.999 > 39 40 O 0.74156573455563 0.44633145509536 0.19022454546023 15.999 > 39 41 O 0.01193685701763 0.38846160934669 0.19738928752508 15.999 > 41 42 O 0.51193685701763 0.38846160934669 0.19738928752508 15.999 > 41 43 O 0.48806314298237 0.88846160934669 0.30261071247492 15.999 > 43 44 O 0.98806314298237 0.88846160934669 0.30261071247492 15.999 > 43 45 O 0.48806314298237 0.61153839065331 0.80261071247492 15.999 > 45 46 O 0.98806314298237 0.61153839065331 0.80261071247492 15.999 > 45 47 O 0.01193685701763 0.11153839065331 0.69738928752508 15.999 > 47 48 O 0.51193685701763 0.11153839065331 0.69738928752508 15.999 > 47 49 O 0.04075120981505 0.20797788649226 0.44630085406425 15.999 > 49 50 O 0.54075120981505 0.20797788649226 0.44630085406425 15.999 > 49 51 O 0.45924879018495 0.70797788649226 0.05369914593575 15.999 > 51 52 O 0.95924879018495 0.70797788649226 0.05369914593575 15.999 > 51 53 O 0.45924879018495 0.79202211350774 0.55369914593575 15.999 > 53 54 O 0.95924879018495 0.79202211350774 0.55369914593575 15.999 > 53 55 O 0.04075120981505 0.29202211350774 0.94630085406425 15.999 > 55 56 O 0.54075120981505 0.29202211350774 0.94630085406425 15.999 > 55 57 O 0.13495141094553 0.06296312218361 0.17690677037598 15.999 > 57 58 O 0.63495141094553 0.06296312218361 0.17690677037598 15.999 > 57 59 O 0.36504858905447 0.56296312218361 0.32309322962402 15.999 > 59 60 O 0.86504858905447 0.56296312218361 0.32309322962402 15.999 > 59 61 O 0.36504858905447 0.93703687781639 0.82309322962402 15.999 > 61 62 O 0.86504858905447 0.93703687781639 0.82309322962402 15.999 > 61 63 O 0.13495141094553 0.43703687781639 0.67690677037598 15.999 > 63 64 O 0.63495141094553 0.43703687781639 0.67690677037598 15.999 > 63 65 P 0.22047433377349 0.41605574725021 0.74823205857794 30.974 > 65 66 P 0.72047433377349 0.41605574725021 0.74823205857794 30.974 > 65 67 P 0.27952566622651 0.91605574725021 0.75176794142206 30.974 > 67 68 P 0.77952566622651 0.91605574725021 0.75176794142206 30.974 > 67 69 P 0.27952566622651 0.58394425274979 0.25176794142206 30.974 > 69 70 P 0.77952566622651 0.58394425274979 0.25176794142206 30.974 > 69 71 P 0.22047433377349 0.08394425274979 0.24823205857794 30.974 > 71 72 P 0.72047433377349 0.08394425274979 0.24823205857794 30.974 > 71 73 P 0.47731555130925 0.20521488949923 0.56809468862221 30.974 > 73 74 P 0.97731555130925 0.20521488949923 0.56809468862221 30.974 > 73 75 P 0.02268444869075 0.70521488949923 0.93190531137779 30.974 > 75 76 P 0.52268444869075 0.70521488949923 0.93190531137779 30.974 > 75 77 P 0.02268444869075 0.79478511050077 0.43190531137779 30.974 > 77 78 P 0.52268444869075 0.79478511050077 0.43190531137779 30.974 > 77 79 P 0.47731555130925 0.29478511050077 0.06809468862221 30.974 > 79 80 P 0.97731555130925 0.29478511050077 0.06809468862221 30.974 > 79 81 Zn 0.28986533054855 0.18044621065426 0.54931693953617 65.380 > 81 82 Zn 0.78986533054855 0.18044621065426 0.54931693953617 65.380 > 81 83 Zn 0.21013466945146 0.68044621065427 0.95068306046383 65.380 > 83 84 Zn 0.71013466945145 0.68044621065427 0.95068306046383 65.380 > 83 85 Zn 0.21013466945146 0.81955378934573 0.45068306046383 65.380 > 85 86 Zn 0.71013466945145 0.81955378934573 0.45068306046383 65.380 > 85 87 Zn 0.28986533054855 0.31955378934573 0.04931693953617 65.380 > 87 88 Zn 0.78986533054855 0.31955378934573 0.04931693953617 65.380 > 87 89 Zn 0.46328988152334 0.92692377228934 0.71200503793760 65.380 > 89 90 Zn 0.96328988152334 0.92692377228934 0.71200503793760 65.380 > 89 91 Zn 0.03671011847666 0.42692377228934 0.78799496206240 65.380 > 91 92 Zn 0.53671011847666 0.42692377228934 0.78799496206240 65.380 > 91 93 Zn 0.03671011847666 0.07307622771066 0.28799496206240 65.380 > 93 94 Zn 0.53671011847666 0.07307622771066 0.28799496206240 65.380 > 93 95 Zn 0.46328988152334 0.57307622771066 0.21200503793760 65.380 > 95 96 Zn 0.96328988152334 0.57307622771066 0.21200503793760 65.380 > 95 97 Sr 0.12722152641942 0.41831136605628 0.38947015101902 87.620 > 97 98 Sr 0.62722152641942 0.41831136605628 0.38947015101902 87.620 > 97 99 Sr 0.37277847358058 0.91831136605628 0.11052984898098 87.620 > 99 100 Sr 0.87277847358058 0.91831136605628 0.11052984898098 87.620 > 99 101 Sr 0.37277847358058 0.58168863394372 0.61052984898098 87.620 > 101 102 Sr 0.87277847358058 0.58168863394372 0.61052984898098 87.620 > 101 103 Sr 0.12722152641942 0.08168863394372 0.88947015101902 87.620 > 103 104 Sr 0.62722152641942 0.08168863394372 0.88947015101902 87.620 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7855316 0.0000000 -0.0260794 0.0000000 2.8147769 0.0000000 -0.0260842 0.0000000 2.7716558 -------------------------- Born effective charges -------------------------- 1 O -1.6535282 -0.1939209 0.5288486 -0.1591583 -1.7325041 0.4628028 0.5644047 0.3694533 -1.7770626 2 O -1.6535282 0.1939209 0.5288486 0.1591583 -1.7325041 -0.4628028 0.5644047 -0.3694533 -1.7770626 3 O -1.6535282 -0.1939209 0.5288486 -0.1591583 -1.7325041 0.4628028 0.5644047 0.3694533 -1.7770626 4 O -1.6535282 0.1939209 0.5288486 0.1591583 -1.7325041 -0.4628028 0.5644047 -0.3694533 -1.7770626 5 O -2.4282125 0.3230722 -0.2787327 0.2247199 -1.1958788 0.0457992 -0.1228465 0.1165092 -1.1094890 6 O -2.4282125 -0.3230722 -0.2787327 -0.2247199 -1.1958788 -0.0457992 -0.1228465 -0.1165092 -1.1094890 7 O -2.4282125 0.3230722 -0.2787327 0.2247199 -1.1958788 0.0457992 -0.1228465 0.1165092 -1.1094890 8 O -2.4282125 -0.3230722 -0.2787327 -0.2247199 -1.1958788 -0.0457992 -0.1228465 -0.1165092 -1.1094890 9 O -1.2792315 0.0221973 -0.1786450 0.2289461 -2.4008317 -0.4953710 -0.0688520 -0.5986727 -1.4653542 10 O -1.2792315 -0.0221973 -0.1786450 -0.2289461 -2.4008317 0.4953710 -0.0688520 0.5986727 -1.4653542 11 O -1.2792315 0.0221973 -0.1786450 0.2289461 -2.4008317 -0.4953710 -0.0688520 -0.5986727 -1.4653542 12 O -1.2792315 -0.0221973 -0.1786450 -0.2289461 -2.4008317 0.4953710 -0.0688520 0.5986727 -1.4653542 13 O -1.2351214 0.1153054 -0.2403330 0.2000667 -1.6964055 -0.4788341 -0.2083205 -0.6307993 -2.0100961 14 O -1.2351214 -0.1153054 -0.2403330 -0.2000667 -1.6964055 0.4788341 -0.2083205 0.6307993 -2.0100961 15 O -1.2351214 0.1153054 -0.2403330 0.2000667 -1.6964055 -0.4788341 -0.2083205 -0.6307993 -2.0100961 16 O -1.2351214 -0.1153054 -0.2403330 -0.2000667 -1.6964055 0.4788341 -0.2083205 0.6307993 -2.0100961 17 O -1.3199099 0.1917652 0.1302703 0.2749201 -2.1019325 0.5603730 0.1091210 0.4651202 -1.4710700 18 O -1.3199099 -0.1917652 0.1302703 -0.2749201 -2.1019325 -0.5603730 0.1091210 -0.4651202 -1.4710700 19 O -1.3199099 0.1917652 0.1302703 0.2749201 -2.1019325 0.5603730 0.1091210 0.4651202 -1.4710700 20 O -1.3199099 -0.1917652 0.1302703 -0.2749201 -2.1019325 -0.5603730 0.1091210 -0.4651202 -1.4710700 21 O -1.3156888 -0.0006738 -0.3816149 -0.1139634 -1.9814145 -0.6596178 -0.4194623 -0.4948523 -1.7456938 22 O -1.3156888 0.0006738 -0.3816149 0.1139634 -1.9814145 0.6596178 -0.4194623 0.4948523 -1.7456938 23 O -1.3156888 -0.0006738 -0.3816149 -0.1139634 -1.9814145 -0.6596178 -0.4194623 -0.4948523 -1.7456938 24 O -1.3156888 0.0006738 -0.3816149 0.1139634 -1.9814145 0.6596178 -0.4194623 0.4948523 -1.7456938 25 O -1.6630259 -0.2078284 0.6455004 -0.1183008 -1.3855250 -0.1175392 0.8285959 -0.1821467 -2.0028339 26 O -1.6630259 0.2078284 0.6455004 0.1183008 -1.3855250 0.1175392 0.8285959 0.1821467 -2.0028339 27 O -1.6630259 -0.2078284 0.6455004 -0.1183008 -1.3855250 -0.1175392 0.8285959 -0.1821467 -2.0028339 28 O -1.6630259 0.2078284 0.6455004 0.1183008 -1.3855250 0.1175392 0.8285959 0.1821467 -2.0028339 29 O -2.3821769 -0.0985047 -0.2371208 -0.0467047 -0.9724968 -0.0047448 -0.1898840 -0.0849151 -1.6225945 30 O -2.3821769 0.0985047 -0.2371208 0.0467047 -0.9724968 0.0047448 -0.1898840 0.0849151 -1.6225945 31 O -2.3821769 -0.0985047 -0.2371208 -0.0467047 -0.9724968 -0.0047448 -0.1898840 -0.0849151 -1.6225945 32 O -2.3821769 0.0985047 -0.2371208 0.0467047 -0.9724968 0.0047448 -0.1898840 0.0849151 -1.6225945 33 P 3.2779661 -0.1692245 0.1292295 0.1536946 3.0888112 0.2185122 -0.1294501 -0.1808462 3.3349290 34 P 3.2779661 0.1692245 0.1292295 -0.1536946 3.0888112 -0.2185122 -0.1294501 0.1808462 3.3349290 35 P 3.2779661 -0.1692245 0.1292295 0.1536946 3.0888112 0.2185122 -0.1294501 -0.1808462 3.3349290 36 P 3.2779661 0.1692245 0.1292295 -0.1536946 3.0888112 -0.2185122 -0.1294501 0.1808462 3.3349290 37 P 3.1965232 0.4400061 0.0295811 -0.2741409 3.4468636 -0.1669249 -0.5314137 0.1496423 3.2907417 38 P 3.1965232 -0.4400061 0.0295811 0.2741409 3.4468636 0.1669249 -0.5314137 -0.1496423 3.2907417 39 P 3.1965232 0.4400061 0.0295811 -0.2741409 3.4468636 -0.1669249 -0.5314137 0.1496423 3.2907417 40 P 3.1965232 -0.4400061 0.0295811 0.2741409 3.4468636 0.1669249 -0.5314137 -0.1496423 3.2907417 41 Zn 2.1416543 -0.2030289 0.0130707 0.1261037 2.1065922 -0.0464336 0.1475461 0.0931197 2.0715995 42 Zn 2.1416543 0.2030289 0.0130707 -0.1261037 2.1065922 0.0464336 0.1475461 -0.0931197 2.0715995 43 Zn 2.1416543 -0.2030289 0.0130707 0.1261037 2.1065922 -0.0464336 0.1475461 0.0931197 2.0715995 44 Zn 2.1416543 0.2030289 0.0130707 -0.1261037 2.1065922 0.0464336 0.1475461 -0.0931197 2.0715995 45 Zn 1.9722369 -0.1364099 -0.2069382 -0.0273481 2.1421447 -0.2096701 0.0023877 -0.0014691 2.0452284 46 Zn 1.9722369 0.1364099 -0.2069382 0.0273481 2.1421447 0.2096701 0.0023877 0.0014691 2.0452284 47 Zn 1.9722369 -0.1364099 -0.2069382 -0.0273481 2.1421447 -0.2096701 0.0023877 -0.0014691 2.0452284 48 Zn 1.9722369 0.1364099 -0.2069382 0.0273481 2.1421447 0.2096701 0.0023877 0.0014691 2.0452284 49 Sr 2.6885145 0.1644066 0.0468841 0.1025426 2.6825771 -0.1621469 0.0181738 -0.1692919 2.4616956 50 Sr 2.6885145 -0.1644066 0.0468841 -0.1025426 2.6825771 0.1621469 0.0181738 0.1692919 2.4616956 51 Sr 2.6885145 0.1644066 0.0468841 0.1025426 2.6825771 -0.1621469 0.0181738 -0.1692919 2.4616956 52 Sr 2.6885145 -0.1644066 0.0468841 -0.1025426 2.6825771 0.1621469 0.0181738 0.1692919 2.4616956 ---------------------------------------------------------------------------- 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] 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 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:04:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:04:47]------------------------- 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): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.323999571200131 0.000000000000000 0.000000000000000 b 0.000000000000000 9.518212390000000 0.000000000000000 c -0.364190426694201 0.000000000000000 9.004561866973473 Atomic positions (fractional): 1 O 0.54989530584650 0.12714173318991 0.11963288749977 15.999 2 O 0.45010469415350 0.62714173318991 0.38036711250023 15.999 3 O 0.45010469415350 0.87285826681009 0.88036711250023 15.999 4 O 0.54989530584650 0.37285826681009 0.61963288749977 15.999 5 O 0.79706932019818 0.36013808914259 0.00549627779591 15.999 6 O 0.20293067980182 0.86013808914259 0.49450372220409 15.999 7 O 0.20293067980182 0.63986191085741 0.99450372220409 15.999 8 O 0.79706932019818 0.13986191085741 0.50549627779591 15.999 9 O 0.92992013586822 0.35818982052716 0.62211007550886 15.999 10 O 0.07007986413178 0.85818982052716 0.87788992449114 15.999 11 O 0.07007986413178 0.64181017947284 0.37788992449114 15.999 12 O 0.92992013586822 0.14181017947284 0.12211007550886 15.999 13 O 0.43391524768655 0.19550722222791 0.37209316937873 15.999 14 O 0.56608475231345 0.69550722222791 0.12790683062127 15.999 15 O 0.56608475231345 0.80449277777209 0.62790683062127 15.999 16 O 0.43391524768655 0.30449277777209 0.87209316937873 15.999 17 O 0.48313146911126 0.05366854490464 0.69022454546023 15.999 18 O 0.51686853088874 0.55366854490464 0.80977545453977 15.999 19 O 0.51686853088874 0.94633145509536 0.30977545453977 15.999 20 O 0.48313146911126 0.44633145509536 0.19022454546023 15.999 21 O 0.02387371403527 0.38846160934669 0.19738928752508 15.999 22 O 0.97612628596473 0.88846160934669 0.30261071247492 15.999 23 O 0.97612628596473 0.61153839065331 0.80261071247492 15.999 24 O 0.02387371403527 0.11153839065331 0.69738928752508 15.999 25 O 0.08150241963011 0.20797788649226 0.44630085406425 15.999 26 O 0.91849758036989 0.70797788649226 0.05369914593575 15.999 27 O 0.91849758036989 0.79202211350774 0.55369914593575 15.999 28 O 0.08150241963011 0.29202211350774 0.94630085406425 15.999 29 O 0.26990282189105 0.06296312218361 0.17690677037598 15.999 30 O 0.73009717810895 0.56296312218361 0.32309322962402 15.999 31 O 0.73009717810895 0.93703687781639 0.82309322962402 15.999 32 O 0.26990282189105 0.43703687781639 0.67690677037598 15.999 33 P 0.44094866754698 0.41605574725021 0.74823205857794 30.974 34 P 0.55905133245302 0.91605574725021 0.75176794142206 30.974 35 P 0.55905133245302 0.58394425274979 0.25176794142206 30.974 36 P 0.44094866754698 0.08394425274979 0.24823205857794 30.974 37 P 0.95463110261850 0.20521488949923 0.56809468862221 30.974 38 P 0.04536889738150 0.70521488949923 0.93190531137779 30.974 39 P 0.04536889738150 0.79478511050077 0.43190531137779 30.974 40 P 0.95463110261850 0.29478511050077 0.06809468862221 30.974 41 Zn 0.57973066109709 0.18044621065426 0.54931693953617 65.380 42 Zn 0.42026933890291 0.68044621065427 0.95068306046383 65.380 43 Zn 0.42026933890291 0.81955378934573 0.45068306046383 65.380 44 Zn 0.57973066109709 0.31955378934573 0.04931693953617 65.380 45 Zn 0.92657976304667 0.92692377228934 0.71200503793760 65.380 46 Zn 0.07342023695333 0.42692377228934 0.78799496206240 65.380 47 Zn 0.07342023695333 0.07307622771066 0.28799496206240 65.380 48 Zn 0.92657976304667 0.57307622771066 0.21200503793760 65.380 49 Sr 0.25444305283884 0.41831136605628 0.38947015101902 87.620 50 Sr 0.74555694716115 0.91831136605628 0.11052984898098 87.620 51 Sr 0.74555694716115 0.58168863394372 0.61052984898098 87.620 52 Sr 0.25444305283884 0.08168863394372 0.88947015101902 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.647999142400263 0.000000000000000 0.000000000000000 b 0.000000000000000 9.518212390000000 0.000000000000000 c -0.364190426694201 0.000000000000000 9.004561866973473 Atomic positions (fractional): 1 O 0.27494765292325 0.12714173318991 0.11963288749977 15.999 > 1 2 O 0.77494765292325 0.12714173318991 0.11963288749977 15.999 > 1 3 O 0.22505234707675 0.62714173318991 0.38036711250023 15.999 > 3 4 O 0.72505234707675 0.62714173318991 0.38036711250023 15.999 > 3 5 O 0.22505234707675 0.87285826681009 0.88036711250023 15.999 > 5 6 O 0.72505234707675 0.87285826681009 0.88036711250023 15.999 > 5 7 O 0.27494765292325 0.37285826681009 0.61963288749977 15.999 > 7 8 O 0.77494765292325 0.37285826681009 0.61963288749977 15.999 > 7 9 O 0.39853466009909 0.36013808914259 0.00549627779591 15.999 > 9 10 O 0.89853466009909 0.36013808914259 0.00549627779591 15.999 > 9 11 O 0.10146533990091 0.86013808914259 0.49450372220409 15.999 > 11 12 O 0.60146533990091 0.86013808914259 0.49450372220409 15.999 > 11 13 O 0.10146533990091 0.63986191085741 0.99450372220409 15.999 > 13 14 O 0.60146533990091 0.63986191085741 0.99450372220409 15.999 > 13 15 O 0.39853466009909 0.13986191085741 0.50549627779591 15.999 > 15 16 O 0.89853466009909 0.13986191085741 0.50549627779591 15.999 > 15 17 O 0.46496006793411 0.35818982052716 0.62211007550886 15.999 > 17 18 O 0.96496006793411 0.35818982052716 0.62211007550886 15.999 > 17 19 O 0.03503993206589 0.85818982052716 0.87788992449114 15.999 > 19 20 O 0.53503993206589 0.85818982052716 0.87788992449114 15.999 > 19 21 O 0.03503993206589 0.64181017947284 0.37788992449114 15.999 > 21 22 O 0.53503993206589 0.64181017947284 0.37788992449114 15.999 > 21 23 O 0.46496006793411 0.14181017947284 0.12211007550886 15.999 > 23 24 O 0.96496006793411 0.14181017947284 0.12211007550886 15.999 > 23 25 O 0.21695762384328 0.19550722222791 0.37209316937873 15.999 > 25 26 O 0.71695762384328 0.19550722222791 0.37209316937873 15.999 > 25 27 O 0.28304237615672 0.69550722222791 0.12790683062127 15.999 > 27 28 O 0.78304237615672 0.69550722222791 0.12790683062127 15.999 > 27 29 O 0.28304237615672 0.80449277777209 0.62790683062127 15.999 > 29 30 O 0.78304237615672 0.80449277777209 0.62790683062127 15.999 > 29 31 O 0.21695762384328 0.30449277777209 0.87209316937873 15.999 > 31 32 O 0.71695762384328 0.30449277777209 0.87209316937873 15.999 > 31 33 O 0.24156573455563 0.05366854490464 0.69022454546023 15.999 > 33 34 O 0.74156573455563 0.05366854490464 0.69022454546023 15.999 > 33 35 O 0.25843426544437 0.55366854490464 0.80977545453977 15.999 > 35 36 O 0.75843426544437 0.55366854490464 0.80977545453977 15.999 > 35 37 O 0.25843426544437 0.94633145509536 0.30977545453977 15.999 > 37 38 O 0.75843426544437 0.94633145509536 0.30977545453977 15.999 > 37 39 O 0.24156573455563 0.44633145509536 0.19022454546023 15.999 > 39 40 O 0.74156573455563 0.44633145509536 0.19022454546023 15.999 > 39 41 O 0.01193685701763 0.38846160934669 0.19738928752508 15.999 > 41 42 O 0.51193685701763 0.38846160934669 0.19738928752508 15.999 > 41 43 O 0.48806314298237 0.88846160934669 0.30261071247492 15.999 > 43 44 O 0.98806314298237 0.88846160934669 0.30261071247492 15.999 > 43 45 O 0.48806314298237 0.61153839065331 0.80261071247492 15.999 > 45 46 O 0.98806314298237 0.61153839065331 0.80261071247492 15.999 > 45 47 O 0.01193685701763 0.11153839065331 0.69738928752508 15.999 > 47 48 O 0.51193685701763 0.11153839065331 0.69738928752508 15.999 > 47 49 O 0.04075120981505 0.20797788649226 0.44630085406425 15.999 > 49 50 O 0.54075120981505 0.20797788649226 0.44630085406425 15.999 > 49 51 O 0.45924879018495 0.70797788649226 0.05369914593575 15.999 > 51 52 O 0.95924879018495 0.70797788649226 0.05369914593575 15.999 > 51 53 O 0.45924879018495 0.79202211350774 0.55369914593575 15.999 > 53 54 O 0.95924879018495 0.79202211350774 0.55369914593575 15.999 > 53 55 O 0.04075120981505 0.29202211350774 0.94630085406425 15.999 > 55 56 O 0.54075120981505 0.29202211350774 0.94630085406425 15.999 > 55 57 O 0.13495141094553 0.06296312218361 0.17690677037598 15.999 > 57 58 O 0.63495141094553 0.06296312218361 0.17690677037598 15.999 > 57 59 O 0.36504858905447 0.56296312218361 0.32309322962402 15.999 > 59 60 O 0.86504858905447 0.56296312218361 0.32309322962402 15.999 > 59 61 O 0.36504858905447 0.93703687781639 0.82309322962402 15.999 > 61 62 O 0.86504858905447 0.93703687781639 0.82309322962402 15.999 > 61 63 O 0.13495141094553 0.43703687781639 0.67690677037598 15.999 > 63 64 O 0.63495141094553 0.43703687781639 0.67690677037598 15.999 > 63 65 P 0.22047433377349 0.41605574725021 0.74823205857794 30.974 > 65 66 P 0.72047433377349 0.41605574725021 0.74823205857794 30.974 > 65 67 P 0.27952566622651 0.91605574725021 0.75176794142206 30.974 > 67 68 P 0.77952566622651 0.91605574725021 0.75176794142206 30.974 > 67 69 P 0.27952566622651 0.58394425274979 0.25176794142206 30.974 > 69 70 P 0.77952566622651 0.58394425274979 0.25176794142206 30.974 > 69 71 P 0.22047433377349 0.08394425274979 0.24823205857794 30.974 > 71 72 P 0.72047433377349 0.08394425274979 0.24823205857794 30.974 > 71 73 P 0.47731555130925 0.20521488949923 0.56809468862221 30.974 > 73 74 P 0.97731555130925 0.20521488949923 0.56809468862221 30.974 > 73 75 P 0.02268444869075 0.70521488949923 0.93190531137779 30.974 > 75 76 P 0.52268444869075 0.70521488949923 0.93190531137779 30.974 > 75 77 P 0.02268444869075 0.79478511050077 0.43190531137779 30.974 > 77 78 P 0.52268444869075 0.79478511050077 0.43190531137779 30.974 > 77 79 P 0.47731555130925 0.29478511050077 0.06809468862221 30.974 > 79 80 P 0.97731555130925 0.29478511050077 0.06809468862221 30.974 > 79 81 Zn 0.28986533054855 0.18044621065426 0.54931693953617 65.380 > 81 82 Zn 0.78986533054855 0.18044621065426 0.54931693953617 65.380 > 81 83 Zn 0.21013466945146 0.68044621065427 0.95068306046383 65.380 > 83 84 Zn 0.71013466945145 0.68044621065427 0.95068306046383 65.380 > 83 85 Zn 0.21013466945146 0.81955378934573 0.45068306046383 65.380 > 85 86 Zn 0.71013466945145 0.81955378934573 0.45068306046383 65.380 > 85 87 Zn 0.28986533054855 0.31955378934573 0.04931693953617 65.380 > 87 88 Zn 0.78986533054855 0.31955378934573 0.04931693953617 65.380 > 87 89 Zn 0.46328988152334 0.92692377228934 0.71200503793760 65.380 > 89 90 Zn 0.96328988152334 0.92692377228934 0.71200503793760 65.380 > 89 91 Zn 0.03671011847666 0.42692377228934 0.78799496206240 65.380 > 91 92 Zn 0.53671011847666 0.42692377228934 0.78799496206240 65.380 > 91 93 Zn 0.03671011847666 0.07307622771066 0.28799496206240 65.380 > 93 94 Zn 0.53671011847666 0.07307622771066 0.28799496206240 65.380 > 93 95 Zn 0.46328988152334 0.57307622771066 0.21200503793760 65.380 > 95 96 Zn 0.96328988152334 0.57307622771066 0.21200503793760 65.380 > 95 97 Sr 0.12722152641942 0.41831136605628 0.38947015101902 87.620 > 97 98 Sr 0.62722152641942 0.41831136605628 0.38947015101902 87.620 > 97 99 Sr 0.37277847358058 0.91831136605628 0.11052984898098 87.620 > 99 100 Sr 0.87277847358058 0.91831136605628 0.11052984898098 87.620 > 99 101 Sr 0.37277847358058 0.58168863394372 0.61052984898098 87.620 > 101 102 Sr 0.87277847358058 0.58168863394372 0.61052984898098 87.620 > 101 103 Sr 0.12722152641942 0.08168863394372 0.88947015101902 87.620 > 103 104 Sr 0.62722152641942 0.08168863394372 0.88947015101902 87.620 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7855316 0.0000000 -0.0260794 0.0000000 2.8147769 0.0000000 -0.0260842 0.0000000 2.7716558 -------------------------- Born effective charges -------------------------- 1 O -1.6535282 -0.1939209 0.5288486 -0.1591583 -1.7325041 0.4628028 0.5644047 0.3694533 -1.7770626 2 O -1.6535282 0.1939209 0.5288486 0.1591583 -1.7325041 -0.4628028 0.5644047 -0.3694533 -1.7770626 3 O -1.6535282 -0.1939209 0.5288486 -0.1591583 -1.7325041 0.4628028 0.5644047 0.3694533 -1.7770626 4 O -1.6535282 0.1939209 0.5288486 0.1591583 -1.7325041 -0.4628028 0.5644047 -0.3694533 -1.7770626 5 O -2.4282125 0.3230722 -0.2787327 0.2247199 -1.1958788 0.0457992 -0.1228465 0.1165092 -1.1094890 6 O -2.4282125 -0.3230722 -0.2787327 -0.2247199 -1.1958788 -0.0457992 -0.1228465 -0.1165092 -1.1094890 7 O -2.4282125 0.3230722 -0.2787327 0.2247199 -1.1958788 0.0457992 -0.1228465 0.1165092 -1.1094890 8 O -2.4282125 -0.3230722 -0.2787327 -0.2247199 -1.1958788 -0.0457992 -0.1228465 -0.1165092 -1.1094890 9 O -1.2792315 0.0221973 -0.1786450 0.2289461 -2.4008317 -0.4953710 -0.0688520 -0.5986727 -1.4653542 10 O -1.2792315 -0.0221973 -0.1786450 -0.2289461 -2.4008317 0.4953710 -0.0688520 0.5986727 -1.4653542 11 O -1.2792315 0.0221973 -0.1786450 0.2289461 -2.4008317 -0.4953710 -0.0688520 -0.5986727 -1.4653542 12 O -1.2792315 -0.0221973 -0.1786450 -0.2289461 -2.4008317 0.4953710 -0.0688520 0.5986727 -1.4653542 13 O -1.2351214 0.1153054 -0.2403330 0.2000667 -1.6964055 -0.4788341 -0.2083205 -0.6307993 -2.0100961 14 O -1.2351214 -0.1153054 -0.2403330 -0.2000667 -1.6964055 0.4788341 -0.2083205 0.6307993 -2.0100961 15 O -1.2351214 0.1153054 -0.2403330 0.2000667 -1.6964055 -0.4788341 -0.2083205 -0.6307993 -2.0100961 16 O -1.2351214 -0.1153054 -0.2403330 -0.2000667 -1.6964055 0.4788341 -0.2083205 0.6307993 -2.0100961 17 O -1.3199099 0.1917652 0.1302703 0.2749201 -2.1019325 0.5603730 0.1091210 0.4651202 -1.4710700 18 O -1.3199099 -0.1917652 0.1302703 -0.2749201 -2.1019325 -0.5603730 0.1091210 -0.4651202 -1.4710700 19 O -1.3199099 0.1917652 0.1302703 0.2749201 -2.1019325 0.5603730 0.1091210 0.4651202 -1.4710700 20 O -1.3199099 -0.1917652 0.1302703 -0.2749201 -2.1019325 -0.5603730 0.1091210 -0.4651202 -1.4710700 21 O -1.3156888 -0.0006738 -0.3816149 -0.1139634 -1.9814145 -0.6596178 -0.4194623 -0.4948523 -1.7456938 22 O -1.3156888 0.0006738 -0.3816149 0.1139634 -1.9814145 0.6596178 -0.4194623 0.4948523 -1.7456938 23 O -1.3156888 -0.0006738 -0.3816149 -0.1139634 -1.9814145 -0.6596178 -0.4194623 -0.4948523 -1.7456938 24 O -1.3156888 0.0006738 -0.3816149 0.1139634 -1.9814145 0.6596178 -0.4194623 0.4948523 -1.7456938 25 O -1.6630259 -0.2078284 0.6455004 -0.1183008 -1.3855250 -0.1175392 0.8285959 -0.1821467 -2.0028339 26 O -1.6630259 0.2078284 0.6455004 0.1183008 -1.3855250 0.1175392 0.8285959 0.1821467 -2.0028339 27 O -1.6630259 -0.2078284 0.6455004 -0.1183008 -1.3855250 -0.1175392 0.8285959 -0.1821467 -2.0028339 28 O -1.6630259 0.2078284 0.6455004 0.1183008 -1.3855250 0.1175392 0.8285959 0.1821467 -2.0028339 29 O -2.3821769 -0.0985047 -0.2371208 -0.0467047 -0.9724968 -0.0047448 -0.1898840 -0.0849151 -1.6225945 30 O -2.3821769 0.0985047 -0.2371208 0.0467047 -0.9724968 0.0047448 -0.1898840 0.0849151 -1.6225945 31 O -2.3821769 -0.0985047 -0.2371208 -0.0467047 -0.9724968 -0.0047448 -0.1898840 -0.0849151 -1.6225945 32 O -2.3821769 0.0985047 -0.2371208 0.0467047 -0.9724968 0.0047448 -0.1898840 0.0849151 -1.6225945 33 P 3.2779661 -0.1692245 0.1292295 0.1536946 3.0888112 0.2185122 -0.1294501 -0.1808462 3.3349290 34 P 3.2779661 0.1692245 0.1292295 -0.1536946 3.0888112 -0.2185122 -0.1294501 0.1808462 3.3349290 35 P 3.2779661 -0.1692245 0.1292295 0.1536946 3.0888112 0.2185122 -0.1294501 -0.1808462 3.3349290 36 P 3.2779661 0.1692245 0.1292295 -0.1536946 3.0888112 -0.2185122 -0.1294501 0.1808462 3.3349290 37 P 3.1965232 0.4400061 0.0295811 -0.2741409 3.4468636 -0.1669249 -0.5314137 0.1496423 3.2907417 38 P 3.1965232 -0.4400061 0.0295811 0.2741409 3.4468636 0.1669249 -0.5314137 -0.1496423 3.2907417 39 P 3.1965232 0.4400061 0.0295811 -0.2741409 3.4468636 -0.1669249 -0.5314137 0.1496423 3.2907417 40 P 3.1965232 -0.4400061 0.0295811 0.2741409 3.4468636 0.1669249 -0.5314137 -0.1496423 3.2907417 41 Zn 2.1416543 -0.2030289 0.0130707 0.1261037 2.1065922 -0.0464336 0.1475461 0.0931197 2.0715995 42 Zn 2.1416543 0.2030289 0.0130707 -0.1261037 2.1065922 0.0464336 0.1475461 -0.0931197 2.0715995 43 Zn 2.1416543 -0.2030289 0.0130707 0.1261037 2.1065922 -0.0464336 0.1475461 0.0931197 2.0715995 44 Zn 2.1416543 0.2030289 0.0130707 -0.1261037 2.1065922 0.0464336 0.1475461 -0.0931197 2.0715995 45 Zn 1.9722369 -0.1364099 -0.2069382 -0.0273481 2.1421447 -0.2096701 0.0023877 -0.0014691 2.0452284 46 Zn 1.9722369 0.1364099 -0.2069382 0.0273481 2.1421447 0.2096701 0.0023877 0.0014691 2.0452284 47 Zn 1.9722369 -0.1364099 -0.2069382 -0.0273481 2.1421447 -0.2096701 0.0023877 -0.0014691 2.0452284 48 Zn 1.9722369 0.1364099 -0.2069382 0.0273481 2.1421447 0.2096701 0.0023877 0.0014691 2.0452284 49 Sr 2.6885145 0.1644066 0.0468841 0.1025426 2.6825771 -0.1621469 0.0181738 -0.1692919 2.4616956 50 Sr 2.6885145 -0.1644066 0.0468841 -0.1025426 2.6825771 0.1621469 0.0181738 0.1692919 2.4616956 51 Sr 2.6885145 0.1644066 0.0468841 0.1025426 2.6825771 -0.1621469 0.0181738 -0.1692919 2.4616956 52 Sr 2.6885145 -0.1644066 0.0468841 -0.1025426 2.6825771 0.1621469 0.0181738 0.1692919 2.4616956 ---------------------------------------------------------------------------- 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 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 6 5 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 293, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 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 1.541 ( 0.000 0.000 0.000) 0.000 1.613 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.271 ( 0.000 0.000 0.000) 0.000 2.333 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.535 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.739 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 2.981 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 0.000) 0.000 3.061 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.154 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.259 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.799 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.000 ( 0.000 0.000 0.000) 0.000 4.082 ( 0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.322 ( 0.000 0.000 0.000) 0.000 4.403 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.658 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 5.319 ( 0.000 0.000 0.000) 0.000 5.469 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.529 ( 0.000 0.000 0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 5.745 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.059 ( 0.000 0.000 0.000) 0.000 6.484 ( 0.000 0.000 0.000) 0.000 6.505 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 7.796 ( 0.000 0.000 0.000) 0.000 7.906 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 8.989 ( 0.000 0.000 0.000) 0.000 9.441 ( 0.000 0.000 0.000) 0.000 9.511 ( 0.000 0.000 0.000) 0.000 9.580 ( 0.000 0.000 0.000) 0.000 9.714 ( 0.000 0.000 0.000) 0.000 10.674 ( 0.000 0.000 0.000) 0.000 10.731 ( 0.000 0.000 0.000) 0.000 10.950 ( 0.000 0.000 0.000) 0.000 11.040 ( 0.000 0.000 0.000) 0.000 11.058 ( 0.000 0.000 0.000) 0.000 11.115 ( 0.000 0.000 0.000) 0.000 11.123 ( 0.000 0.000 0.000) 0.000 11.238 ( 0.000 0.000 0.000) 0.000 11.587 ( 0.000 0.000 0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 11.818 ( 0.000 0.000 0.000) 0.000 11.955 ( 0.000 0.000 0.000) 0.000 12.705 ( 0.000 0.000 0.000) 0.000 12.733 ( 0.000 0.000 0.000) 0.000 13.094 ( 0.000 0.000 0.000) 0.000 13.223 ( 0.000 0.000 0.000) 0.000 14.286 ( 0.000 0.000 0.000) 0.000 14.303 ( 0.000 0.000 0.000) 0.000 14.648 ( 0.000 0.000 0.000) 0.000 14.804 ( 0.000 0.000 0.000) 0.000 14.849 ( 0.000 0.000 0.000) 0.000 14.905 ( 0.000 0.000 0.000) 0.000 14.935 ( 0.000 0.000 0.000) 0.000 14.940 ( 0.000 0.000 0.000) 0.000 15.565 ( 0.000 0.000 0.000) 0.000 15.668 ( 0.000 0.000 0.000) 0.000 15.673 ( 0.000 0.000 0.000) 0.000 15.735 ( 0.000 0.000 0.000) 0.000 15.864 ( 0.000 0.000 0.000) 0.000 16.037 ( 0.000 0.000 0.000) 0.000 16.110 ( 0.000 0.000 0.000) 0.000 16.200 ( 0.000 0.000 0.000) 0.000 16.821 ( 0.000 0.000 0.000) 0.000 16.877 ( 0.000 0.000 0.000) 0.000 16.922 ( 0.000 0.000 0.000) 0.000 17.183 ( 0.000 0.000 0.000) 0.000 17.282 ( 0.000 0.000 0.000) 0.000 17.292 ( 0.000 0.000 0.000) 0.000 17.442 ( 0.000 0.000 0.000) 0.000 17.446 ( 0.000 0.000 0.000) 0.000 18.439 ( 0.000 0.000 0.000) 0.000 18.497 ( 0.000 0.000 0.000) 0.000 18.536 ( 0.000 0.000 0.000) 0.000 18.754 ( 0.000 0.000 0.000) 0.000 18.832 ( 0.000 0.000 0.000) 0.000 18.888 ( 0.000 0.000 0.000) 0.000 19.021 ( 0.000 0.000 0.000) 0.000 19.026 ( 0.000 0.000 0.000) 0.000 27.684 ( 0.000 0.000 0.000) 0.000 27.712 ( 0.000 0.000 0.000) 0.000 27.871 ( 0.000 0.000 0.000) 0.000 27.895 ( 0.000 0.000 0.000) 0.000 27.944 ( 0.000 0.000 0.000) 0.000 27.978 ( 0.000 0.000 0.000) 0.000 28.007 ( 0.000 0.000 0.000) 0.000 28.044 ( 0.000 0.000 0.000) 0.000 28.798 ( 0.000 0.000 0.000) 0.000 28.936 ( 0.000 0.000 0.000) 0.000 29.172 ( 0.000 0.000 0.000) 0.000 29.386 ( 0.000 0.000 0.000) 0.000 29.474 ( 0.000 0.000 0.000) 0.000 29.511 ( 0.000 0.000 0.000) 0.000 29.624 ( 0.000 0.000 0.000) 0.000 29.654 ( 0.000 0.000 0.000) 0.000 29.771 ( 0.000 0.000 0.000) 0.000 30.048 ( 0.000 0.000 0.000) 0.000 30.321 ( 0.000 0.000 0.000) 0.000 30.451 ( 0.000 0.000 0.000) 0.000 30.463 ( 0.000 0.000 0.000) 0.000 30.499 ( 0.000 0.000 0.000) 0.000 30.752 ( 0.000 0.000 0.000) 0.000 31.125 ( 0.000 0.000 0.000) 0.000 31.135 ( 0.000 0.000 0.000) 0.000 31.347 ( 0.000 0.000 0.000) 0.000 31.807 ( 0.000 0.000 0.000) 0.000 31.992 ( 0.000 0.000 0.000) 0.000 32.202 ( 0.000 0.000 0.000) 0.000 32.340 ( 0.000 0.000 0.000) 0.000 32.413 ( 0.000 0.000 0.000) 0.000 32.566 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 21.708 0.000 13.720) 25.681 0.558 ( 27.862 0.000 -6.637) 28.641 1.003 ( 46.415 0.000 -7.213) 46.972 1.529 ( -2.291 0.000 0.610) 2.371 1.650 ( 3.549 0.000 2.163) 4.156 1.982 ( 17.303 0.000 -5.562) 18.175 2.069 ( 6.624 0.000 6.049) 8.970 2.197 ( -7.485 0.000 3.597) 8.304 2.299 ( 4.165 0.000 0.112) 4.166 2.310 ( -4.739 0.000 6.963) 8.423 2.391 ( -4.525 0.000 2.364) 5.106 2.543 ( -0.264 0.000 -6.301) 6.307 2.566 ( 2.207 0.000 -5.779) 6.187 2.685 ( 1.801 0.000 1.628) 2.427 2.759 ( -1.765 0.000 -2.770) 3.285 2.848 ( -5.818 0.000 0.727) 5.863 2.882 ( -7.209 0.000 8.360) 11.039 2.961 ( -12.348 0.000 2.458) 12.590 3.030 ( 0.059 0.000 2.278) 2.279 3.061 ( -6.079 0.000 -4.581) 7.612 3.196 ( 5.602 0.000 -9.479) 11.011 3.254 ( -0.847 0.000 0.954) 1.276 3.266 ( -2.281 0.000 7.612) 7.946 3.337 ( 3.458 0.000 -11.613) 12.117 3.379 ( -2.393 0.000 1.839) 3.018 3.640 ( -0.521 0.000 -0.146) 0.541 3.664 ( -5.610 0.000 -3.907) 6.837 3.707 ( -3.566 0.000 -2.182) 4.181 3.769 ( -1.945 0.000 6.220) 6.517 3.825 ( 5.413 0.000 -1.390) 5.589 3.889 ( -5.175 0.000 6.582) 8.373 3.932 ( -1.983 0.000 -0.488) 2.042 4.069 ( 6.629 0.000 1.278) 6.751 4.133 ( 1.515 0.000 5.181) 5.398 4.225 ( -5.083 0.000 -1.702) 5.360 4.304 ( -2.753 0.000 4.663) 5.415 4.318 ( -2.121 0.000 -3.389) 3.998 4.385 ( 1.637 0.000 2.135) 2.691 4.451 ( -2.515 0.000 -1.499) 2.928 4.523 ( -3.153 0.000 1.517) 3.499 4.556 ( -0.003 0.000 0.704) 0.704 4.592 ( -2.997 0.000 4.074) 5.057 4.653 ( 1.954 0.000 -0.976) 2.184 4.906 ( 6.982 0.000 -1.023) 7.056 4.918 ( 8.616 0.000 -1.352) 8.722 5.028 ( 7.579 0.000 -4.003) 8.572 5.207 ( -16.572 0.000 1.399) 16.631 5.418 ( 0.508 0.000 -1.868) 1.936 5.465 ( -0.799 0.000 -0.064) 0.801 5.499 ( -5.262 0.000 -5.370) 7.518 5.538 ( 2.433 0.000 2.823) 3.727 5.694 ( -2.127 0.000 1.347) 2.518 5.792 ( 1.177 0.000 3.028) 3.248 5.852 ( -0.547 0.000 -3.959) 3.997 6.077 ( 1.463 0.000 2.283) 2.712 6.095 ( 2.463 0.000 3.309) 4.125 6.537 ( 5.044 0.000 -3.265) 6.008 6.555 ( 1.218 0.000 0.465) 1.304 6.644 ( -0.103 0.000 -0.232) 0.254 6.809 ( -1.341 0.000 0.456) 1.417 7.059 ( 6.423 0.000 -2.686) 6.962 7.116 ( -1.215 0.000 -0.123) 1.221 7.318 ( -5.206 0.000 3.653) 6.360 7.818 ( 1.818 0.000 -1.414) 2.303 7.867 ( 6.096 0.000 -0.454) 6.113 7.949 ( -1.606 0.000 1.264) 2.043 8.206 ( -0.373 0.000 -0.266) 0.459 8.460 ( -2.142 0.000 35.347) 35.412 8.610 ( -0.655 0.000 -0.102) 0.663 8.811 ( 0.105 0.000 -0.919) 0.925 8.843 ( -2.715 0.000 -15.876) 16.106 8.969 ( -1.830 0.000 -0.306) 1.856 9.460 ( 1.652 0.000 1.409) 2.171 9.514 ( 0.307 0.000 0.890) 0.941 9.596 ( 1.505 0.000 0.131) 1.510 9.754 ( 0.182 0.000 -14.790) 14.792 10.681 ( -0.099 0.000 -1.691) 1.694 10.731 ( 0.040 0.000 -0.072) 0.082 10.954 ( 0.381 0.000 0.241) 0.451 10.974 ( -3.916 0.000 0.644) 3.969 11.104 ( 2.180 0.000 -0.834) 2.334 11.117 ( -0.585 0.000 -0.146) 0.603 11.124 ( 0.793 0.000 0.666) 1.035 11.282 ( 3.187 0.000 0.352) 3.207 11.591 ( 0.383 0.000 0.032) 0.384 11.697 ( -1.322 0.000 -5.685) 5.836 11.824 ( 0.451 0.000 0.038) 0.453 11.955 ( -0.027 0.000 0.494) 0.495 12.700 ( -0.422 0.000 -0.048) 0.424 12.729 ( -0.390 0.000 -0.269) 0.474 13.091 ( -0.329 0.000 -0.339) 0.473 13.265 ( -0.523 0.000 2.431) 2.487 14.287 ( 0.091 0.000 0.267) 0.282 14.305 ( 0.257 0.000 -0.042) 0.260 14.655 ( -1.788 0.000 -2.494) 3.069 14.771 ( -2.470 0.000 1.501) 2.891 14.871 ( 1.920 0.000 -0.036) 1.920 14.946 ( 3.156 0.000 -1.959) 3.715 14.957 ( 1.495 0.000 -0.202) 1.509 15.035 ( -0.418 0.000 3.630) 3.654 15.580 ( -1.126 0.000 -4.695) 4.828 15.665 ( -0.207 0.000 -2.373) 2.382 15.670 ( -0.391 0.000 2.918) 2.944 15.760 ( 2.085 0.000 0.575) 2.162 15.899 ( -0.332 0.000 -4.507) 4.519 16.041 ( 0.400 0.000 -0.087) 0.409 16.118 ( 0.680 0.000 0.216) 0.713 16.209 ( 0.777 0.000 -0.051) 0.779 16.827 ( 0.511 0.000 -0.097) 0.520 16.922 ( -0.036 0.000 -0.500) 0.501 17.044 ( -0.192 0.000 6.404) 6.407 17.170 ( -0.984 0.000 -0.440) 1.078 17.289 ( 0.511 0.000 2.717) 2.765 17.311 ( 1.607 0.000 0.932) 1.858 17.436 ( -0.852 0.000 -1.211) 1.481 17.441 ( -0.100 0.000 -0.048) 0.111 18.469 ( -2.524 0.000 0.776) 2.641 18.548 ( 1.265 0.000 -1.133) 1.698 18.725 ( -1.848 0.000 -0.356) 1.882 18.808 ( -1.868 0.000 -1.580) 2.446 18.867 ( 0.104 0.000 15.154) 15.155 18.935 ( 3.474 0.000 -0.181) 3.479 19.020 ( -0.558 0.000 0.478) 0.734 19.044 ( -0.427 0.000 -8.466) 8.477 27.684 ( -0.019 0.000 -0.153) 0.154 27.715 ( -0.108 0.000 1.651) 1.655 27.871 ( -0.041 0.000 1.060) 1.061 27.890 ( -0.423 0.000 -1.200) 1.272 27.939 ( -0.459 0.000 -0.272) 0.534 27.988 ( 0.442 0.000 0.949) 1.047 28.011 ( 0.367 0.000 0.059) 0.372 28.042 ( -0.187 0.000 -1.268) 1.282 28.798 ( 0.008 0.000 -0.127) 0.127 28.938 ( 0.222 0.000 -0.033) 0.224 29.307 ( -0.338 0.000 -18.104) 18.107 29.342 ( -3.519 0.000 -0.690) 3.586 29.464 ( -0.727 0.000 -0.206) 0.756 29.532 ( 1.114 0.000 1.908) 2.210 29.605 ( -1.352 0.000 0.023) 1.352 29.663 ( 1.013 0.000 -0.254) 1.045 29.880 ( 2.903 0.000 -13.652) 13.957 30.301 ( -3.128 0.000 -0.833) 3.237 30.316 ( -7.596 0.000 -0.967) 7.657 30.323 ( -1.586 0.000 -3.030) 3.420 30.527 ( 1.773 0.000 1.616) 2.399 30.665 ( 11.149 0.000 -6.304) 12.807 30.970 ( -9.569 0.000 -6.652) 11.654 31.086 ( -5.500 0.000 1.999) 5.852 31.515 ( 11.885 0.000 2.360) 12.118 31.611 ( -7.789 0.000 9.297) 12.129 31.755 ( -9.528 0.000 5.128) 10.820 32.035 ( 3.288 0.000 4.854) 5.863 32.185 ( -1.273 0.000 -3.003) 3.262 32.546 ( 14.760 0.000 -2.840) 15.031 32.616 ( 4.287 0.000 -1.649) 4.593 33.301 ( -3.463 0.000 12.276) 12.755 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 19.103 0.000 12.835) 23.015 1.099 ( 26.416 0.000 -5.566) 26.996 1.413 ( -3.541 0.000 -7.285) 8.100 1.747 ( 5.156 0.000 4.655) 6.947 1.802 ( 23.013 0.000 -4.384) 23.427 1.989 ( -13.996 0.000 3.067) 14.329 2.136 ( -7.853 0.000 1.149) 7.937 2.231 ( 6.498 0.000 1.551) 6.680 2.341 ( 14.731 0.000 -3.299) 15.096 2.356 ( -10.106 0.000 5.564) 11.537 2.433 ( 9.887 0.000 -4.932) 11.049 2.492 ( -0.738 0.000 3.537) 3.613 2.567 ( 9.046 0.000 -4.724) 10.205 2.626 ( -4.300 0.000 -0.858) 4.384 2.694 ( -8.899 0.000 7.485) 11.629 2.722 ( -1.479 0.000 -1.692) 2.248 2.804 ( -3.617 0.000 3.308) 4.902 2.887 ( 4.032 0.000 -11.432) 12.122 2.985 ( 3.389 0.000 0.942) 3.518 3.111 ( 5.190 0.000 6.444) 8.274 3.155 ( -3.994 0.000 0.917) 4.098 3.195 ( -4.483 0.000 6.887) 8.217 3.334 ( -3.055 0.000 6.112) 6.834 3.372 ( 7.631 0.000 -6.433) 9.981 3.460 ( 8.582 0.000 -6.165) 10.567 3.490 ( -10.585 0.000 -3.159) 11.047 3.569 ( -7.487 0.000 -5.795) 9.468 3.634 ( 0.202 0.000 -0.195) 0.281 3.700 ( -5.716 0.000 5.024) 7.610 3.797 ( -6.636 0.000 -0.471) 6.653 3.838 ( 0.412 0.000 -0.438) 0.601 3.918 ( -0.955 0.000 -3.876) 3.992 4.101 ( -13.732 0.000 9.928) 16.945 4.126 ( -2.282 0.000 -4.481) 5.028 4.165 ( -1.574 0.000 0.957) 1.842 4.247 ( 6.728 0.000 1.410) 6.874 4.288 ( -0.047 0.000 0.369) 0.372 4.338 ( -7.576 0.000 3.255) 8.246 4.416 ( -0.160 0.000 -0.325) 0.363 4.513 ( 1.974 0.000 0.729) 2.104 4.559 ( -3.275 0.000 2.079) 3.880 4.593 ( 3.339 0.000 1.218) 3.554 4.701 ( 1.982 0.000 -1.209) 2.322 4.862 ( -11.944 0.000 -1.240) 12.009 5.023 ( 5.218 0.000 1.626) 5.466 5.064 ( 5.425 0.000 -0.143) 5.427 5.162 ( 4.626 0.000 -3.696) 5.921 5.333 ( -8.420 0.000 -3.575) 9.147 5.443 ( -1.147 0.000 -0.522) 1.260 5.495 ( 4.404 0.000 -5.068) 6.715 5.588 ( 1.263 0.000 2.405) 2.716 5.685 ( 1.065 0.000 0.997) 1.459 5.806 ( 0.194 0.000 2.042) 2.051 5.843 ( -0.058 0.000 -3.820) 3.821 6.108 ( 1.046 0.000 2.610) 2.812 6.141 ( 1.748 0.000 1.486) 2.294 6.590 ( 2.011 0.000 0.826) 2.174 6.642 ( -0.009 0.000 -0.026) 0.027 6.653 ( 5.944 0.000 -4.489) 7.449 6.769 ( -2.119 0.000 1.269) 2.470 7.089 ( -1.013 0.000 -0.932) 1.376 7.191 ( 5.700 0.000 -1.878) 6.001 7.197 ( -6.429 0.000 5.346) 8.362 7.849 ( 1.102 0.000 -2.419) 2.658 7.912 ( -1.838 0.000 2.577) 3.165 8.007 ( 6.859 0.000 -0.178) 6.861 8.197 ( -0.331 0.000 -0.235) 0.406 8.431 ( -2.704 0.000 11.440) 11.755 8.597 ( -0.572 0.000 -0.116) 0.584 8.769 ( -2.866 0.000 -6.046) 6.691 8.813 ( -0.054 0.000 0.135) 0.146 8.929 ( -1.800 0.000 -0.302) 1.825 9.498 ( 1.652 0.000 1.309) 2.108 9.522 ( 0.267 0.000 0.883) 0.922 9.633 ( 1.906 0.000 0.425) 1.953 9.742 ( -0.541 0.000 -5.564) 5.590 10.677 ( -0.122 0.000 -0.563) 0.576 10.734 ( 0.296 0.000 -0.089) 0.309 10.901 ( -3.054 0.000 0.400) 3.080 10.963 ( 0.417 0.000 0.149) 0.442 11.102 ( -0.714 0.000 -0.061) 0.717 11.136 ( 1.083 0.000 0.186) 1.098 11.142 ( 0.766 0.000 -0.087) 0.771 11.359 ( 3.902 0.000 -0.397) 3.923 11.600 ( 0.426 0.000 0.013) 0.426 11.658 ( -2.010 0.000 -1.241) 2.362 11.832 ( 0.256 0.000 0.131) 0.288 11.954 ( -0.101 0.000 0.477) 0.488 12.693 ( -0.213 0.000 -0.174) 0.275 12.719 ( -0.543 0.000 -0.137) 0.560 13.083 ( -0.323 0.000 -0.348) 0.475 13.256 ( -0.465 0.000 0.853) 0.971 14.289 ( 0.127 0.000 0.282) 0.309 14.312 ( 0.408 0.000 0.012) 0.408 14.616 ( -1.623 0.000 -0.766) 1.794 14.728 ( -1.655 0.000 0.870) 1.870 14.911 ( 1.743 0.000 -0.007) 1.743 14.987 ( 1.232 0.000 -0.136) 1.240 15.004 ( 2.452 0.000 -1.439) 2.843 15.029 ( -0.343 0.000 1.238) 1.285 15.556 ( -0.810 0.000 -1.983) 2.142 15.657 ( -0.303 0.000 -2.552) 2.570 15.664 ( -0.389 0.000 3.138) 3.162 15.801 ( 1.555 0.000 0.763) 1.732 15.889 ( -0.295 0.000 -1.443) 1.472 16.050 ( 0.405 0.000 -0.080) 0.413 16.132 ( 0.642 0.000 0.198) 0.672 16.226 ( 0.756 0.000 -0.061) 0.758 16.838 ( 0.514 0.000 -0.105) 0.524 16.920 ( -0.025 0.000 -0.452) 0.453 17.045 ( -0.062 0.000 2.094) 2.095 17.152 ( -0.669 0.000 -0.319) 0.741 17.304 ( 0.708 0.000 1.605) 1.754 17.346 ( 1.554 0.000 1.470) 2.139 17.415 ( -1.046 0.000 -1.892) 2.162 17.438 ( -0.202 0.000 -0.203) 0.286 18.414 ( -2.502 0.000 0.756) 2.614 18.580 ( 1.829 0.000 -1.475) 2.349 18.697 ( -0.871 0.000 -0.414) 0.965 18.764 ( -2.191 0.000 -0.484) 2.244 18.879 ( 0.173 0.000 6.599) 6.602 18.995 ( 1.828 0.000 1.416) 2.312 19.011 ( 0.025 0.000 -1.018) 1.018 19.027 ( -0.626 0.000 -3.406) 3.463 27.684 ( -0.000 0.000 -0.147) 0.147 27.714 ( -0.062 0.000 0.637) 0.640 27.871 ( -0.064 0.000 1.855) 1.856 27.880 ( -0.394 0.000 -1.969) 2.008 27.929 ( -0.396 0.000 -0.116) 0.412 28.001 ( 0.616 0.000 1.736) 1.842 28.019 ( 0.341 0.000 0.027) 0.342 28.034 ( -0.454 0.000 -1.829) 1.885 28.798 ( 0.017 0.000 -0.122) 0.123 28.946 ( 0.527 0.000 -0.061) 0.530 29.270 ( -3.168 0.000 -0.323) 3.184 29.279 ( -1.246 0.000 -4.594) 4.759 29.455 ( -0.082 0.000 -0.933) 0.937 29.540 ( -0.284 0.000 1.383) 1.412 29.582 ( -0.833 0.000 0.188) 0.854 29.691 ( 1.434 0.000 0.083) 1.437 29.925 ( 2.057 0.000 -6.891) 7.192 30.188 ( -4.441 0.000 -0.752) 4.505 30.254 ( -1.127 0.000 0.694) 1.324 30.307 ( -0.457 0.000 0.035) 0.458 30.553 ( 1.053 0.000 2.033) 2.290 30.793 ( -6.844 0.000 -4.870) 8.400 30.865 ( 7.904 0.000 -1.134) 7.985 30.962 ( -5.859 0.000 0.249) 5.864 31.417 ( -8.273 0.000 -2.855) 8.752 31.639 ( -4.308 0.000 7.006) 8.224 31.746 ( 9.992 0.000 2.802) 10.378 32.084 ( 0.007 0.000 3.131) 3.131 32.165 ( 0.195 0.000 -2.702) 2.709 32.700 ( 3.526 0.000 -1.485) 3.826 32.828 ( 12.995 0.000 -3.850) 13.554 33.211 ( -6.251 0.000 6.601) 9.091 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 0.000 0.000 -0.000) 0.000 1.303 ( 0.000 0.000 0.000) 0.000 1.550 ( -0.000 0.000 0.000) 0.000 1.644 ( 0.000 0.000 -0.000) 0.000 1.843 ( 0.000 0.000 -0.000) 0.000 2.011 ( 0.000 0.000 -0.000) 0.000 2.046 ( 0.000 0.000 -0.000) 0.000 2.192 ( 0.000 0.000 -0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 -0.000) 0.000 2.542 ( -0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 -0.000) 0.000 2.652 ( -0.000 0.000 0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 -0.000) 0.000 2.826 ( 0.000 0.000 -0.000) 0.000 2.959 ( 0.000 0.000 -0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.123 ( 0.000 0.000 -0.000) 0.000 3.129 ( 0.000 0.000 -0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.367 ( 0.000 0.000 -0.000) 0.000 3.376 ( -0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 -0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 -0.000) 0.000 3.672 ( -0.000 0.000 -0.000) 0.000 3.773 ( -0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 -0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 4.163 ( 0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 -0.000) 0.000 4.191 ( -0.000 0.000 0.000) 0.000 4.292 ( 0.000 0.000 -0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.480 ( -0.000 0.000 0.000) 0.000 4.526 ( 0.000 0.000 -0.000) 0.000 4.650 ( 0.000 0.000 -0.000) 0.000 4.716 ( -0.000 0.000 -0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 -0.000) 0.000 5.200 ( 0.000 0.000 -0.000) 0.000 5.203 ( -0.000 0.000 -0.000) 0.000 5.430 ( 0.000 0.000 -0.000) 0.000 5.561 ( 0.000 0.000 -0.000) 0.000 5.583 ( -0.000 0.000 0.000) 0.000 5.706 ( 0.000 0.000 -0.000) 0.000 5.808 ( 0.000 0.000 -0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 -0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.616 ( 0.000 0.000 0.000) 0.000 6.642 ( 0.000 0.000 -0.000) 0.000 6.722 ( 0.000 0.000 -0.000) 0.000 6.746 ( 0.000 0.000 0.000) 0.000 7.089 ( 0.000 0.000 0.000) 0.000 7.110 ( 0.000 0.000 -0.000) 0.000 7.252 ( 0.000 0.000 0.000) 0.000 7.855 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 -0.000) 0.000 8.087 ( 0.000 0.000 -0.000) 0.000 8.197 ( 0.000 0.000 -0.000) 0.000 8.396 ( 0.000 0.000 0.000) 0.000 8.591 ( 0.000 0.000 0.000) 0.000 8.736 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 8.909 ( 0.000 0.000 -0.000) 0.000 9.517 ( 0.000 0.000 0.000) 0.000 9.525 ( 0.000 0.000 0.000) 0.000 9.657 ( 0.000 0.000 0.000) 0.000 9.730 ( 0.000 0.000 0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 10.739 ( 0.000 0.000 -0.000) 0.000 10.868 ( 0.000 0.000 -0.000) 0.000 10.968 ( 0.000 0.000 0.000) 0.000 11.094 ( 0.000 0.000 -0.000) 0.000 11.148 ( 0.000 0.000 -0.000) 0.000 11.150 ( 0.000 0.000 0.000) 0.000 11.406 ( 0.000 0.000 -0.000) 0.000 11.605 ( 0.000 0.000 0.000) 0.000 11.632 ( 0.000 0.000 -0.000) 0.000 11.834 ( 0.000 0.000 -0.000) 0.000 11.953 ( 0.000 0.000 0.000) 0.000 12.691 ( 0.000 0.000 0.000) 0.000 12.712 ( 0.000 0.000 -0.000) 0.000 13.079 ( 0.000 0.000 0.000) 0.000 13.251 ( 0.000 0.000 0.000) 0.000 14.291 ( 0.000 0.000 0.000) 0.000 14.317 ( 0.000 0.000 -0.000) 0.000 14.598 ( 0.000 0.000 -0.000) 0.000 14.711 ( 0.000 0.000 0.000) 0.000 14.930 ( 0.000 0.000 0.000) 0.000 15.000 ( 0.000 0.000 0.000) 0.000 15.026 ( 0.000 0.000 0.000) 0.000 15.030 ( 0.000 0.000 -0.000) 0.000 15.547 ( 0.000 0.000 -0.000) 0.000 15.652 ( 0.000 0.000 -0.000) 0.000 15.661 ( 0.000 0.000 0.000) 0.000 15.817 ( 0.000 0.000 0.000) 0.000 15.886 ( 0.000 0.000 -0.000) 0.000 16.055 ( 0.000 0.000 -0.000) 0.000 16.140 ( 0.000 0.000 -0.000) 0.000 16.234 ( 0.000 0.000 -0.000) 0.000 16.844 ( 0.000 0.000 0.000) 0.000 16.920 ( 0.000 0.000 -0.000) 0.000 17.045 ( 0.000 0.000 0.000) 0.000 17.145 ( 0.000 0.000 0.000) 0.000 17.313 ( 0.000 0.000 0.000) 0.000 17.367 ( 0.000 0.000 0.000) 0.000 17.399 ( 0.000 0.000 0.000) 0.000 17.435 ( 0.000 0.000 0.000) 0.000 18.387 ( 0.000 0.000 -0.000) 0.000 18.603 ( 0.000 0.000 -0.000) 0.000 18.689 ( 0.000 0.000 0.000) 0.000 18.736 ( 0.000 0.000 0.000) 0.000 18.884 ( 0.000 0.000 -0.000) 0.000 19.000 ( 0.000 0.000 0.000) 0.000 19.018 ( 0.000 0.000 0.000) 0.000 19.025 ( 0.000 0.000 -0.000) 0.000 27.684 ( 0.000 0.000 -0.000) 0.000 27.714 ( 0.000 0.000 -0.000) 0.000 27.872 ( 0.000 0.000 0.000) 0.000 27.874 ( 0.000 0.000 -0.000) 0.000 27.925 ( 0.000 0.000 0.000) 0.000 28.011 ( 0.000 0.000 0.000) 0.000 28.022 ( 0.000 0.000 -0.000) 0.000 28.025 ( 0.000 0.000 -0.000) 0.000 28.798 ( 0.000 0.000 0.000) 0.000 28.953 ( 0.000 0.000 0.000) 0.000 29.234 ( 0.000 0.000 -0.000) 0.000 29.263 ( 0.000 0.000 0.000) 0.000 29.455 ( 0.000 0.000 -0.000) 0.000 29.535 ( 0.000 0.000 -0.000) 0.000 29.574 ( 0.000 0.000 -0.000) 0.000 29.707 ( 0.000 0.000 -0.000) 0.000 29.944 ( 0.000 0.000 -0.000) 0.000 30.144 ( 0.000 0.000 -0.000) 0.000 30.246 ( 0.000 0.000 0.000) 0.000 30.303 ( 0.000 0.000 -0.000) 0.000 30.569 ( 0.000 0.000 -0.000) 0.000 30.716 ( 0.000 0.000 -0.000) 0.000 30.895 ( 0.000 0.000 -0.000) 0.000 30.944 ( 0.000 0.000 -0.000) 0.000 31.336 ( 0.000 0.000 -0.000) 0.000 31.591 ( 0.000 0.000 0.000) 0.000 31.868 ( 0.000 0.000 0.000) 0.000 32.061 ( 0.000 0.000 -0.000) 0.000 32.175 ( 0.000 0.000 -0.000) 0.000 32.737 ( 0.000 0.000 -0.000) 0.000 33.027 ( 0.000 0.000 -0.000) 0.000 33.081 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 0.000 24.299 0.000) 24.299 0.687 ( 0.000 30.641 0.000) 30.641 1.193 ( 0.000 52.413 0.000) 52.413 1.565 ( 0.000 5.315 0.000) 5.315 1.678 ( 0.000 -7.516 0.000) 7.516 1.783 ( 0.000 12.599 0.000) 12.599 1.910 ( 0.000 -7.783 0.000) 7.783 2.248 ( 0.000 -2.517 0.000) 2.517 2.328 ( 0.000 -0.112 0.000) 0.112 2.353 ( 0.000 1.992 0.000) 1.992 2.423 ( 0.000 -1.826 0.000) 1.826 2.477 ( 0.000 -4.633 0.000) 4.633 2.556 ( 0.000 1.222 0.000) 1.222 2.665 ( 0.000 0.475 0.000) 0.475 2.722 ( 0.000 -1.759 0.000) 1.759 2.904 ( 0.000 -5.449 0.000) 5.449 2.922 ( 0.000 0.253 0.000) 0.253 3.022 ( 0.000 -5.359 0.000) 5.359 3.022 ( 0.000 -1.477 0.000) 1.477 3.045 ( 0.000 -5.679 0.000) 5.679 3.116 ( 0.000 -4.415 0.000) 4.415 3.218 ( 0.000 -1.460 0.000) 1.460 3.348 ( 0.000 5.815 0.000) 5.815 3.353 ( 0.000 -3.558 0.000) 3.558 3.494 ( 0.000 6.940 0.000) 6.940 3.592 ( 0.000 -3.868 0.000) 3.868 3.606 ( 0.000 -3.406 0.000) 3.406 3.668 ( 0.000 -3.145 0.000) 3.145 3.738 ( 0.000 -2.001 0.000) 2.001 3.841 ( 0.000 2.484 0.000) 2.484 3.854 ( 0.000 -1.882 0.000) 1.882 3.979 ( 0.000 4.390 0.000) 4.390 4.073 ( 0.000 0.551 0.000) 0.551 4.139 ( 0.000 6.904 0.000) 6.904 4.319 ( 0.000 1.622 0.000) 1.622 4.343 ( 0.000 1.362 0.000) 1.362 4.427 ( 0.000 -0.248 0.000) 0.248 4.514 ( 0.000 7.231 0.000) 7.231 4.552 ( 0.000 6.420 0.000) 6.420 4.600 ( 0.000 -2.136 0.000) 2.136 4.658 ( 0.000 1.457 0.000) 1.457 4.669 ( 0.000 -0.846 0.000) 0.846 4.736 ( 0.000 -0.412 0.000) 0.412 4.838 ( 0.000 4.191 0.000) 4.191 4.920 ( 0.000 -1.506 0.000) 1.506 5.011 ( 0.000 1.983 0.000) 1.983 5.229 ( 0.000 -16.138 0.000) 16.138 5.343 ( 0.000 -9.541 0.000) 9.541 5.361 ( 0.000 3.631 0.000) 3.631 5.546 ( 0.000 1.756 0.000) 1.756 5.584 ( 0.000 0.262 0.000) 0.262 5.795 ( 0.000 2.278 0.000) 2.278 5.835 ( 0.000 -0.403 0.000) 0.403 5.928 ( 0.000 0.632 0.000) 0.632 5.940 ( 0.000 -5.331 0.000) 5.331 6.051 ( 0.000 -1.111 0.000) 1.111 6.517 ( 0.000 2.918 0.000) 2.918 6.530 ( 0.000 2.081 0.000) 2.081 6.639 ( 0.000 -0.575 0.000) 0.575 6.737 ( 0.000 -2.763 0.000) 2.763 7.046 ( 0.000 4.553 0.000) 4.553 7.171 ( 0.000 0.859 0.000) 0.859 7.288 ( 0.000 -3.024 0.000) 3.024 7.371 ( 0.000 -1.445 0.000) 1.445 7.901 ( 0.000 -0.111 0.000) 0.111 8.015 ( 0.000 4.211 0.000) 4.211 8.017 ( 0.000 -1.116 0.000) 1.116 8.202 ( 0.000 -0.728 0.000) 0.728 8.745 ( 0.000 -0.338 0.000) 0.338 8.784 ( 0.000 -1.972 0.000) 1.972 8.963 ( 0.000 0.092 0.000) 0.092 8.980 ( 0.000 -0.829 0.000) 0.829 9.440 ( 0.000 -0.009 0.000) 0.009 9.497 ( 0.000 -1.819 0.000) 1.819 9.608 ( 0.000 1.908 0.000) 1.908 9.706 ( 0.000 -0.805 0.000) 0.805 10.709 ( 0.000 3.237 0.000) 3.237 10.751 ( 0.000 1.943 0.000) 1.943 10.940 ( 0.000 -1.001 0.000) 1.001 11.003 ( 0.000 -3.803 0.000) 3.803 11.017 ( 0.000 -3.072 0.000) 3.072 11.050 ( 0.000 -4.830 0.000) 4.830 11.262 ( 0.000 1.781 0.000) 1.781 11.293 ( 0.000 2.359 0.000) 2.359 11.684 ( 0.000 0.755 0.000) 0.755 11.764 ( 0.000 -2.453 0.000) 2.453 11.866 ( 0.000 1.560 0.000) 1.560 11.943 ( 0.000 -1.028 0.000) 1.028 12.706 ( 0.000 0.191 0.000) 0.191 12.811 ( 0.000 -2.381 0.000) 2.381 13.109 ( 0.000 1.199 0.000) 1.199 13.210 ( 0.000 -1.209 0.000) 1.209 14.289 ( 0.000 0.322 0.000) 0.322 14.305 ( 0.000 0.164 0.000) 0.164 14.658 ( 0.000 1.057 0.000) 1.057 14.803 ( 0.000 -2.049 0.000) 2.049 14.898 ( 0.000 -0.243 0.000) 0.243 14.929 ( 0.000 -0.795 0.000) 0.795 14.954 ( 0.000 1.321 0.000) 1.321 14.957 ( 0.000 1.173 0.000) 1.173 15.576 ( 0.000 1.087 0.000) 1.087 15.678 ( 0.000 0.972 0.000) 0.972 15.718 ( 0.000 -1.646 0.000) 1.646 15.783 ( 0.000 -1.524 0.000) 1.524 15.885 ( 0.000 1.849 0.000) 1.849 16.019 ( 0.000 -1.675 0.000) 1.675 16.126 ( 0.000 0.999 0.000) 0.999 16.189 ( 0.000 -0.937 0.000) 0.937 16.866 ( 0.000 -0.278 0.000) 0.278 16.883 ( 0.000 0.392 0.000) 0.392 16.972 ( 0.000 3.638 0.000) 3.638 17.168 ( 0.000 -1.413 0.000) 1.413 17.281 ( 0.000 -0.082 0.000) 0.082 17.289 ( 0.000 -0.311 0.000) 0.311 17.445 ( 0.000 0.229 0.000) 0.229 17.448 ( 0.000 0.143 0.000) 0.143 18.440 ( 0.000 0.124 0.000) 0.124 18.487 ( 0.000 -1.352 0.000) 1.352 18.579 ( 0.000 3.861 0.000) 3.861 18.867 ( 0.000 2.777 0.000) 2.777 18.905 ( 0.000 1.405 0.000) 1.405 18.937 ( 0.000 -5.031 0.000) 5.031 19.067 ( 0.000 1.029 0.000) 1.029 19.108 ( 0.000 -0.920 0.000) 0.920 27.686 ( 0.000 0.329 0.000) 0.329 27.738 ( 0.000 2.293 0.000) 2.293 27.879 ( 0.000 -4.440 0.000) 4.440 27.888 ( 0.000 -0.259 0.000) 0.259 27.903 ( 0.000 0.597 0.000) 0.597 27.962 ( 0.000 -3.247 0.000) 3.247 27.976 ( 0.000 -0.019 0.000) 0.019 28.044 ( 0.000 -0.598 0.000) 0.598 28.887 ( 0.000 7.264 0.000) 7.264 29.161 ( 0.000 -1.013 0.000) 1.013 29.323 ( 0.000 1.814 0.000) 1.814 29.501 ( 0.000 -0.989 0.000) 0.989 29.515 ( 0.000 2.167 0.000) 2.167 29.624 ( 0.000 -2.295 0.000) 2.295 29.650 ( 0.000 3.363 0.000) 3.363 29.796 ( 0.000 1.592 0.000) 1.592 30.058 ( 0.000 0.938 0.000) 0.938 30.131 ( 0.000 1.316 0.000) 1.316 30.316 ( 0.000 0.446 0.000) 0.446 30.442 ( 0.000 -0.824 0.000) 0.824 30.518 ( 0.000 1.964 0.000) 1.964 30.682 ( 0.000 6.843 0.000) 6.843 30.739 ( 0.000 -1.321 0.000) 1.321 31.107 ( 0.000 -2.513 0.000) 2.513 31.291 ( 0.000 -1.397 0.000) 1.397 31.635 ( 0.000 -12.184 0.000) 12.184 32.070 ( 0.000 3.872 0.000) 3.872 32.121 ( 0.000 -0.201 0.000) 0.201 32.335 ( 0.000 -0.375 0.000) 0.375 32.391 ( 0.000 -1.908 0.000) 1.908 32.574 ( 0.000 0.764 0.000) 0.764 32.685 ( 0.000 -1.636 0.000) 1.636 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 10.529 21.704 13.314) 27.553 0.874 ( 20.017 18.859 -0.856) 27.515 1.448 ( 20.579 26.850 -2.995) 33.962 1.605 ( 5.431 15.274 -4.970) 16.955 1.760 ( 1.552 8.119 3.441) 8.954 1.911 ( 15.701 -3.899 -7.362) 17.774 1.951 ( 7.106 -8.138 4.797) 11.821 2.228 ( -4.662 -4.274 3.392) 7.177 2.275 ( -2.448 3.447 5.200) 6.702 2.364 ( -6.266 -2.734 3.178) 7.539 2.387 ( 1.536 3.899 1.479) 4.444 2.504 ( 1.080 -1.980 -5.938) 6.352 2.538 ( 2.347 -2.115 -5.123) 6.019 2.657 ( -0.035 -0.525 1.819) 1.893 2.754 ( -3.330 -2.547 0.180) 4.196 2.772 ( -2.555 -5.666 2.661) 6.761 2.855 ( -8.524 -0.463 1.251) 8.627 2.984 ( -2.227 -1.627 -0.569) 2.816 2.998 ( 0.261 -1.709 4.802) 5.104 3.083 ( -3.789 -1.606 1.275) 4.308 3.167 ( 3.680 -2.476 -6.122) 7.560 3.192 ( -1.341 -2.374 -0.201) 2.734 3.285 ( -3.024 4.264 -2.155) 5.654 3.339 ( -0.601 0.879 -4.707) 4.826 3.447 ( -1.783 3.647 -0.675) 4.115 3.616 ( -0.085 -2.746 -1.389) 3.079 3.639 ( -3.376 -3.135 -1.740) 4.925 3.688 ( 3.059 -0.573 5.377) 6.213 3.725 ( -0.962 -2.036 0.510) 2.309 3.813 ( -2.159 -0.435 -3.280) 3.950 3.826 ( 0.576 -1.225 -0.581) 1.473 4.003 ( 1.007 2.090 0.677) 2.416 4.037 ( -2.561 -0.392 3.509) 4.362 4.213 ( 4.483 5.515 2.989) 7.710 4.279 ( -6.278 3.232 -0.792) 7.105 4.294 ( -3.564 0.946 4.594) 5.891 4.418 ( -1.117 -2.020 -3.213) 3.956 4.442 ( -5.558 6.382 -1.227) 8.551 4.533 ( -2.087 2.671 3.215) 4.672 4.546 ( -7.874 7.634 -1.070) 11.019 4.583 ( -2.936 0.371 1.374) 3.263 4.619 ( 1.010 -1.628 0.091) 1.917 4.717 ( -0.590 6.493 -5.452) 8.499 4.871 ( 3.377 -0.472 4.380) 5.551 4.994 ( 6.985 2.929 -0.494) 7.590 5.020 ( 4.106 -0.397 -1.938) 4.558 5.206 ( -7.922 -4.641 -1.724) 9.342 5.238 ( -3.402 -9.317 1.174) 9.988 5.396 ( -2.556 -7.510 -1.903) 8.158 5.471 ( 2.885 1.071 -0.741) 3.165 5.553 ( -4.566 1.346 -3.078) 5.668 5.731 ( -2.554 2.607 0.408) 3.673 5.810 ( -1.314 -0.019 0.705) 1.491 5.894 ( -0.399 3.332 1.854) 3.834 5.990 ( 2.129 -6.406 0.667) 6.783 6.116 ( 3.240 -0.275 2.182) 3.916 6.558 ( 3.664 1.598 -2.421) 4.673 6.576 ( 1.648 1.445 -0.209) 2.202 6.659 ( 2.001 1.492 -0.324) 2.517 6.838 ( 2.507 0.228 2.248) 3.375 7.008 ( 3.602 -0.667 -0.699) 3.730 7.150 ( -0.891 2.075 -0.356) 2.286 7.292 ( -4.294 -2.142 3.131) 5.730 7.605 ( 13.086 -11.703 2.122) 17.683 7.932 ( 2.470 2.157 -1.898) 3.789 7.984 ( -1.831 3.461 -0.002) 3.916 8.140 ( 6.893 -7.937 2.526) 10.812 8.206 ( 1.224 -2.155 2.802) 3.740 8.723 ( -2.167 1.496 3.654) 4.503 8.787 ( 0.212 -1.868 -2.614) 3.219 8.880 ( -5.976 1.764 -1.606) 6.435 8.956 ( -2.143 -1.206 0.157) 2.464 9.461 ( 1.631 -0.052 1.484) 2.205 9.503 ( 0.490 -1.270 1.144) 1.778 9.619 ( 1.209 1.878 -0.497) 2.288 9.726 ( 1.313 -1.479 -7.068) 7.340 10.710 ( 0.015 3.030 -0.516) 3.074 10.753 ( 0.283 2.137 -0.162) 2.162 10.936 ( -0.833 -1.590 0.593) 1.890 10.956 ( -2.450 -2.170 0.375) 3.294 11.006 ( -1.830 -4.966 -0.682) 5.336 11.068 ( 1.655 -3.414 -0.972) 3.917 11.277 ( 0.744 4.347 0.355) 4.425 11.313 ( 2.486 2.407 0.833) 3.559 11.654 ( -2.359 2.346 2.269) 4.027 11.717 ( -2.908 0.731 -3.596) 4.682 11.833 ( -0.688 1.483 -0.319) 1.666 11.945 ( -0.128 -1.040 0.714) 1.268 12.705 ( -0.146 0.226 -0.331) 0.427 12.751 ( -2.883 0.524 -0.389) 2.956 13.105 ( -0.257 1.290 -0.360) 1.364 13.230 ( 0.633 -2.348 1.273) 2.745 14.291 ( 0.180 0.409 0.148) 0.471 14.312 ( 0.433 0.302 0.207) 0.567 14.654 ( -0.970 0.448 -0.692) 1.273 14.765 ( -2.922 -1.168 1.332) 3.417 14.888 ( 0.152 1.150 0.837) 1.431 14.917 ( 1.565 -1.250 -0.163) 2.010 14.975 ( 1.646 1.178 -0.327) 2.050 15.031 ( 2.768 -0.509 -1.044) 3.002 15.565 ( -0.831 0.216 -1.250) 1.517 15.662 ( -1.163 -0.466 -2.349) 2.662 15.718 ( -1.547 1.383 3.169) 3.788 15.762 ( 1.485 0.264 0.085) 1.511 15.910 ( 0.716 1.043 -2.883) 3.149 16.026 ( 0.675 -1.644 -0.280) 1.799 16.121 ( 0.056 0.865 0.950) 1.286 16.198 ( 0.712 -0.994 -0.037) 1.223 16.822 ( -0.511 0.263 -0.678) 0.889 16.949 ( 1.312 -1.332 1.230) 2.238 16.991 ( 1.285 1.303 0.235) 1.845 17.177 ( 0.338 -0.342 1.799) 1.862 17.287 ( 0.612 -0.103 1.330) 1.468 17.307 ( 1.481 -0.577 1.300) 2.053 17.428 ( -0.933 -0.263 -0.019) 0.970 17.439 ( -0.924 0.016 -0.808) 1.228 18.460 ( -1.620 -0.697 0.330) 1.794 18.519 ( 3.722 -5.797 0.503) 6.907 18.592 ( 1.433 3.082 0.242) 3.408 18.841 ( -2.364 2.589 -0.495) 3.541 18.909 ( -1.491 -1.729 2.881) 3.676 18.943 ( 1.962 -0.949 0.174) 2.186 19.035 ( -2.095 1.648 1.808) 3.221 19.078 ( -1.174 1.016 -4.195) 4.473 27.686 ( 0.025 0.347 -0.122) 0.368 27.739 ( 0.000 2.208 0.449) 2.253 27.870 ( -0.628 -3.118 0.653) 3.247 27.885 ( -0.239 -0.295 -0.319) 0.496 27.903 ( -0.057 -0.328 -0.458) 0.567 27.962 ( -0.031 -2.827 -0.546) 2.880 27.981 ( 0.375 -0.789 1.393) 1.644 28.039 ( -0.414 -0.746 -0.988) 1.306 28.881 ( -0.403 6.974 -0.312) 6.993 29.144 ( -1.850 5.194 5.205) 7.582 29.277 ( -3.189 1.548 -5.548) 6.584 29.452 ( -7.241 3.395 -0.521) 8.014 29.525 ( -0.405 3.425 -0.436) 3.477 29.542 ( -2.453 3.130 -1.180) 4.148 29.632 ( -0.515 0.723 -0.128) 0.897 29.684 ( -2.300 3.855 -1.856) 4.857 29.908 ( 0.822 2.739 -12.145) 12.477 30.185 ( -3.863 -5.349 -3.050) 7.269 30.308 ( -2.565 0.812 0.234) 2.701 30.440 ( 0.035 0.833 -0.870) 1.205 30.541 ( -0.828 4.504 1.909) 4.961 30.715 ( 7.584 4.874 -1.768) 9.187 30.905 ( 1.504 -5.216 2.021) 5.793 31.023 ( -4.672 -1.869 0.517) 5.059 31.421 ( 11.245 -5.205 -0.822) 12.418 31.543 ( -8.047 -8.769 -0.852) 11.932 31.855 ( -13.498 5.972 6.047) 15.951 32.041 ( -1.687 -0.404 3.882) 4.252 32.235 ( -2.550 3.845 -2.921) 5.460 32.508 ( 9.898 -3.398 -1.700) 10.602 32.644 ( 7.662 2.493 -1.680) 8.231 33.049 ( 11.154 -13.831 7.635) 19.339 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 14.618 12.790 12.005) 22.834 1.246 ( 15.067 11.589 -1.671) 19.082 1.619 ( 1.570 13.040 -7.913) 15.334 1.793 ( 4.757 5.782 3.556) 8.289 1.857 ( 8.173 4.611 5.078) 10.670 2.065 ( -7.792 3.326 2.750) 8.907 2.111 ( -4.156 0.447 -2.401) 4.820 2.218 ( 4.696 -5.705 0.699) 7.422 2.249 ( 9.790 0.169 -4.384) 10.728 2.353 ( 2.367 -5.522 -0.117) 6.009 2.420 ( 0.397 1.981 1.537) 2.539 2.511 ( 5.354 -2.542 3.046) 6.663 2.578 ( -1.065 -1.491 -1.298) 2.245 2.594 ( 1.838 1.239 -4.935) 5.410 2.695 ( -3.168 -1.502 0.923) 3.625 2.765 ( 3.793 -1.755 -6.070) 7.370 2.814 ( 1.115 4.365 1.401) 4.718 2.885 ( -5.134 2.582 4.639) 7.386 3.008 ( -0.246 -3.238 6.993) 7.711 3.050 ( 4.111 0.815 2.508) 4.884 3.149 ( -1.586 -0.735 0.734) 1.896 3.194 ( -2.568 4.014 -4.493) 6.549 3.276 ( 1.921 -3.888 -0.434) 4.358 3.373 ( 4.367 -0.929 -5.513) 7.094 3.462 ( 0.209 1.352 -1.918) 2.356 3.500 ( -3.884 0.620 -1.405) 4.176 3.592 ( -1.462 -2.459 -2.605) 3.869 3.634 ( -7.614 3.625 0.129) 8.434 3.686 ( -3.347 -0.206 4.202) 5.376 3.772 ( -1.559 -1.508 -2.871) 3.598 3.876 ( -0.575 2.238 -0.344) 2.336 3.944 ( -4.628 2.296 -1.326) 5.333 4.058 ( 1.949 -4.914 -1.127) 5.405 4.110 ( -8.561 0.591 9.050) 12.472 4.234 ( -1.594 1.619 -0.412) 2.309 4.285 ( 0.816 6.578 1.943) 6.907 4.340 ( -5.922 0.252 -1.247) 6.058 4.372 ( -1.280 4.793 2.997) 5.796 4.431 ( -1.203 1.240 0.818) 1.911 4.526 ( -0.910 0.770 1.813) 2.170 4.558 ( 0.299 -0.686 -2.030) 2.164 4.650 ( 0.161 0.917 0.628) 1.123 4.715 ( -0.938 3.514 -1.284) 3.857 4.858 ( -8.998 -0.016 -1.722) 9.162 4.975 ( 3.523 -1.094 0.907) 3.798 5.100 ( 3.129 1.337 1.344) 3.659 5.169 ( 2.541 -0.116 -2.514) 3.577 5.232 ( 0.969 -9.139 -2.393) 9.497 5.382 ( -0.835 -8.477 -0.319) 8.524 5.411 ( -5.443 -4.437 -2.880) 7.590 5.562 ( 3.219 1.405 -1.014) 3.656 5.718 ( 0.951 2.500 -0.201) 2.682 5.801 ( 0.373 -0.445 0.474) 0.749 5.883 ( -0.768 3.230 -0.450) 3.350 6.035 ( 1.996 -6.190 0.842) 6.559 6.164 ( 1.378 0.172 2.299) 2.685 6.591 ( 0.366 0.797 0.449) 0.985 6.649 ( 4.798 0.362 -3.230) 5.796 6.712 ( 2.688 4.648 -0.274) 5.376 6.813 ( -2.280 3.806 1.787) 4.783 7.126 ( -0.680 2.203 0.109) 2.308 7.151 ( 6.025 -3.365 -1.051) 6.981 7.196 ( -4.178 1.017 3.705) 5.676 7.780 ( 5.123 -8.853 0.770) 10.258 7.926 ( -2.574 3.334 -0.630) 4.259 7.997 ( 2.809 0.232 0.042) 2.819 8.179 ( -0.084 -1.899 -0.450) 1.953 8.282 ( 2.771 -8.765 4.268) 10.135 8.674 ( -2.648 3.878 2.521) 5.330 8.766 ( -2.572 -0.218 -4.642) 5.312 8.800 ( -0.821 -0.855 0.457) 1.270 8.911 ( -1.933 -1.783 0.078) 2.631 9.496 ( 1.486 -0.187 1.632) 2.215 9.514 ( 0.433 -0.678 0.851) 1.171 9.650 ( 1.703 1.494 -0.208) 2.274 9.734 ( 0.031 -0.664 -4.469) 4.518 10.708 ( -0.139 2.891 -0.249) 2.905 10.764 ( 0.742 2.623 -0.291) 2.741 10.884 ( -2.980 -1.657 0.760) 3.493 10.945 ( 0.278 -1.961 0.126) 1.985 10.978 ( -1.006 -5.253 -0.572) 5.379 11.094 ( 0.925 -3.849 -0.555) 3.997 11.287 ( 0.354 6.667 0.924) 6.740 11.382 ( 3.692 1.670 -0.381) 4.070 11.627 ( -0.519 1.823 0.807) 2.060 11.665 ( -2.309 0.545 -1.192) 2.655 11.830 ( 0.086 0.243 0.132) 0.290 11.940 ( -0.263 -1.258 0.548) 1.397 12.699 ( -0.353 0.413 -0.232) 0.591 12.717 ( -0.890 -0.152 -0.197) 0.925 13.100 ( -0.252 1.449 -0.342) 1.510 13.233 ( -0.157 -1.906 0.619) 2.011 14.296 ( 0.199 0.557 0.187) 0.620 14.321 ( 0.400 0.494 0.168) 0.657 14.624 ( -1.471 0.801 -0.477) 1.741 14.719 ( -1.654 -0.938 0.867) 2.090 14.906 ( 1.017 -0.284 0.393) 1.127 14.946 ( 1.052 -2.580 0.218) 2.795 15.006 ( 1.302 1.427 -0.270) 1.950 15.070 ( 1.424 1.240 -0.931) 2.105 15.548 ( -0.629 -0.184 -1.003) 1.198 15.638 ( -0.896 -1.614 -1.463) 2.356 15.697 ( -0.671 2.454 2.073) 3.282 15.799 ( 1.520 -0.297 0.408) 1.601 15.911 ( -0.101 1.803 -1.288) 2.218 16.040 ( 0.617 -1.250 -0.285) 1.423 16.130 ( 0.489 0.255 0.527) 0.762 16.213 ( 0.673 -1.132 -0.056) 1.318 16.823 ( 0.314 -0.420 -0.290) 0.599 16.969 ( 0.884 -0.061 0.894) 1.259 17.000 ( -0.234 0.580 -0.781) 1.001 17.180 ( -0.012 1.388 1.415) 1.982 17.304 ( 0.834 0.046 1.032) 1.327 17.339 ( 1.501 -0.711 1.495) 2.235 17.408 ( -1.432 -0.531 -1.662) 2.257 17.421 ( -0.377 -1.210 0.047) 1.268 18.418 ( -2.028 0.393 0.605) 2.153 18.570 ( 1.694 -5.764 -1.527) 6.199 18.628 ( 1.666 2.146 1.522) 3.114 18.787 ( -2.482 1.627 -0.828) 3.081 18.875 ( -1.569 -1.703 2.218) 3.206 18.974 ( 0.204 -1.611 1.504) 2.213 19.023 ( 0.839 1.230 -0.936) 1.758 19.059 ( -0.475 1.570 -1.599) 2.291 27.686 ( 0.024 0.392 -0.128) 0.413 27.738 ( -0.031 2.209 0.313) 2.231 27.860 ( -0.389 -2.832 0.455) 2.894 27.880 ( -0.162 0.274 -0.350) 0.473 27.900 ( -0.180 -1.181 -0.219) 1.215 27.961 ( 0.007 -2.441 -0.365) 2.469 27.993 ( 0.657 -1.597 1.807) 2.500 28.027 ( -0.628 -1.054 -1.560) 1.985 28.876 ( -0.099 6.433 -0.302) 6.441 29.110 ( -1.414 11.307 2.585) 11.685 29.224 ( -1.610 -1.970 -3.650) 4.449 29.335 ( -3.623 3.214 -1.395) 5.040 29.513 ( -0.060 4.806 -0.915) 4.892 29.536 ( -0.461 -0.332 1.524) 1.626 29.614 ( -0.930 2.625 0.038) 2.785 29.682 ( 0.979 -0.915 -0.808) 1.565 29.930 ( 1.383 0.545 -6.082) 6.261 30.104 ( -3.060 -4.694 -1.530) 5.809 30.267 ( -1.240 0.768 1.357) 1.992 30.435 ( -0.398 7.166 -0.189) 7.179 30.511 ( -1.239 -1.470 1.367) 2.359 30.782 ( -2.813 0.391 -2.153) 3.564 30.919 ( 2.493 1.106 0.291) 2.743 30.941 ( -2.901 0.260 0.478) 2.952 31.385 ( -4.283 -3.273 -5.863) 7.964 31.654 ( -1.436 1.527 6.572) 6.898 31.677 ( 5.026 -5.454 2.091) 7.706 32.028 ( -1.374 -5.154 3.979) 6.654 32.208 ( -0.263 4.169 -3.141) 5.227 32.637 ( 3.860 -5.464 -1.467) 6.849 32.849 ( 10.885 1.761 -2.695) 11.352 33.126 ( -1.653 -6.569 5.341) 8.626 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.000 7.526 -0.000) 7.526 1.364 ( 0.000 7.486 0.000) 7.486 1.710 ( 0.000 11.717 0.000) 11.717 1.789 ( 0.000 10.089 -0.000) 10.089 1.870 ( 0.000 3.451 -0.000) 3.451 2.027 ( 0.000 1.401 -0.000) 1.401 2.073 ( 0.000 1.743 -0.000) 1.743 2.149 ( 0.000 -1.526 0.000) 1.526 2.313 ( 0.000 2.344 0.000) 2.344 2.383 ( 0.000 -9.255 0.000) 9.255 2.507 ( 0.000 -1.366 0.000) 1.366 2.517 ( 0.000 -5.188 -0.000) 5.188 2.610 ( 0.000 2.536 0.000) 2.536 2.616 ( 0.000 -5.876 -0.000) 5.876 2.698 ( 0.000 -4.492 -0.000) 4.492 2.770 ( 0.000 14.353 -0.000) 14.353 2.838 ( 0.000 3.394 0.000) 3.394 2.908 ( 0.000 -15.861 -0.000) 15.861 3.003 ( 0.000 5.020 0.000) 5.020 3.130 ( 0.000 -1.245 0.000) 1.245 3.141 ( 0.000 0.331 -0.000) 0.331 3.221 ( 0.000 6.034 -0.000) 6.034 3.297 ( 0.000 -4.824 0.000) 4.824 3.398 ( 0.000 5.151 0.000) 5.151 3.403 ( -0.000 3.565 -0.000) 3.565 3.532 ( 0.000 -5.743 -0.000) 5.743 3.552 ( 0.000 2.393 0.000) 2.393 3.597 ( 0.000 -0.506 0.000) 0.506 3.669 ( 0.000 1.100 -0.000) 1.100 3.736 ( 0.000 -3.962 0.000) 3.962 3.740 ( 0.000 6.953 -0.000) 6.953 3.877 ( 0.000 -0.285 -0.000) 0.285 3.958 ( 0.000 8.690 0.000) 8.690 4.155 ( 0.000 -3.802 -0.000) 3.802 4.177 ( -0.000 1.415 0.000) 1.415 4.293 ( 0.000 -1.376 0.000) 1.376 4.302 ( 0.000 7.867 -0.000) 7.867 4.406 ( 0.000 3.944 0.000) 3.944 4.407 ( -0.000 -0.895 -0.000) 0.895 4.483 ( 0.000 1.241 0.000) 1.241 4.562 ( 0.000 -0.072 0.000) 0.072 4.620 ( 0.000 -2.642 -0.000) 2.642 4.716 ( 0.000 0.089 -0.000) 0.089 4.787 ( 0.000 2.480 -0.000) 2.480 5.042 ( 0.000 -1.950 -0.000) 1.950 5.119 ( 0.000 0.674 0.000) 0.674 5.185 ( 0.000 -2.184 -0.000) 2.184 5.260 ( 0.000 1.939 -0.000) 1.939 5.299 ( 0.000 -11.445 -0.000) 11.445 5.403 ( 0.000 -12.063 0.000) 12.063 5.596 ( 0.000 1.884 -0.000) 1.884 5.737 ( 0.000 2.332 -0.000) 2.332 5.811 ( 0.000 -0.293 -0.000) 0.293 5.872 ( 0.000 3.083 0.000) 3.083 6.058 ( 0.000 -6.023 0.000) 6.023 6.178 ( 0.000 0.228 0.000) 0.228 6.594 ( 0.000 0.563 -0.000) 0.563 6.714 ( 0.000 -0.613 -0.000) 0.613 6.735 ( 0.000 5.890 -0.000) 5.890 6.789 ( 0.000 3.542 0.000) 3.542 7.106 ( 0.000 -0.454 0.000) 0.454 7.147 ( 0.000 4.908 -0.000) 4.908 7.230 ( 0.000 -1.599 0.000) 1.599 7.830 ( 0.000 -7.596 -0.000) 7.596 7.892 ( 0.000 3.308 0.000) 3.308 8.033 ( 0.000 -2.316 -0.000) 2.316 8.177 ( 0.000 -1.812 -0.000) 1.812 8.306 ( 0.000 -7.160 0.000) 7.160 8.644 ( 0.000 4.074 0.000) 4.074 8.736 ( 0.000 0.088 0.000) 0.088 8.795 ( 0.000 -1.350 0.000) 1.350 8.890 ( 0.000 -1.967 -0.000) 1.967 9.513 ( 0.000 -0.272 0.000) 0.272 9.519 ( 0.000 -0.510 0.000) 0.510 9.672 ( 0.000 1.236 0.000) 1.236 9.729 ( 0.000 -0.168 0.000) 0.168 10.706 ( 0.000 2.841 0.000) 2.841 10.775 ( 0.000 3.234 -0.000) 3.234 10.848 ( 0.000 -1.710 -0.000) 1.710 10.952 ( 0.000 -1.526 0.000) 1.526 10.964 ( 0.000 -6.165 -0.000) 6.165 11.103 ( 0.000 -4.005 -0.000) 4.005 11.291 ( 0.000 7.093 -0.000) 7.093 11.427 ( 0.000 1.465 -0.000) 1.465 11.626 ( 0.000 1.561 0.000) 1.561 11.633 ( -0.000 0.159 -0.000) 0.159 11.831 ( 0.000 0.043 -0.000) 0.043 11.938 ( 0.000 -1.393 0.000) 1.393 12.695 ( 0.000 0.321 0.000) 0.321 12.708 ( 0.000 -0.299 -0.000) 0.299 13.097 ( 0.000 1.525 0.000) 1.525 13.231 ( 0.000 -1.726 -0.000) 1.726 14.298 ( 0.000 0.616 0.000) 0.616 14.325 ( 0.000 0.508 -0.000) 0.508 14.607 ( 0.000 0.920 -0.000) 0.920 14.702 ( 0.000 -0.865 0.000) 0.865 14.918 ( 0.000 -0.838 -0.000) 0.838 14.956 ( 0.000 -2.963 -0.000) 2.963 15.020 ( 0.000 1.621 0.000) 1.621 15.085 ( 0.000 1.654 0.000) 1.654 15.541 ( 0.000 -0.198 -0.000) 0.198 15.628 ( 0.000 -1.982 -0.000) 1.982 15.692 ( 0.000 2.460 0.000) 2.460 15.815 ( 0.000 -0.408 0.000) 0.408 15.909 ( 0.000 1.979 -0.000) 1.979 16.047 ( 0.000 -1.054 -0.000) 1.054 16.135 ( 0.000 0.092 -0.000) 0.092 16.220 ( 0.000 -1.208 -0.000) 1.208 16.827 ( 0.000 -0.499 -0.000) 0.499 16.986 ( 0.000 -4.269 0.000) 4.269 16.989 ( 0.000 5.213 -0.000) 5.213 17.181 ( 0.000 1.916 0.000) 1.916 17.315 ( 0.000 0.215 0.000) 0.215 17.367 ( -0.000 -0.030 -0.000) 0.030 17.379 ( 0.000 -1.531 0.000) 1.531 17.419 ( 0.000 -1.584 0.000) 1.584 18.396 ( 0.000 0.849 -0.000) 0.849 18.588 ( 0.000 -6.233 -0.000) 6.233 18.649 ( 0.000 3.857 0.000) 3.857 18.758 ( 0.000 0.347 0.000) 0.347 18.859 ( 0.000 -1.803 -0.000) 1.803 18.972 ( 0.000 -2.294 0.000) 2.294 19.037 ( 0.000 1.011 -0.000) 1.011 19.054 ( 0.000 1.912 0.000) 1.912 27.687 ( 0.000 0.409 -0.000) 0.409 27.738 ( 0.000 2.225 -0.000) 2.225 27.856 ( 0.000 -2.702 0.000) 2.702 27.878 ( 0.000 0.384 -0.000) 0.384 27.898 ( 0.000 -1.412 -0.000) 1.412 27.961 ( 0.000 -2.456 -0.000) 2.456 28.005 ( 0.000 -2.096 0.000) 2.096 28.015 ( -0.000 -0.868 -0.000) 0.868 28.875 ( 0.000 6.238 0.000) 6.238 29.098 ( 0.000 11.546 -0.000) 11.546 29.206 ( 0.000 -2.402 0.000) 2.402 29.298 ( 0.000 2.617 -0.000) 2.617 29.514 ( 0.000 5.002 0.000) 5.002 29.530 ( 0.000 -0.434 -0.000) 0.434 29.604 ( 0.000 2.597 -0.000) 2.597 29.694 ( 0.000 -1.488 0.000) 1.488 29.943 ( 0.000 -0.049 -0.000) 0.049 30.072 ( 0.000 -4.279 -0.000) 4.279 30.257 ( 0.000 0.466 0.000) 0.466 30.429 ( 0.000 10.169 -0.000) 10.169 30.501 ( 0.000 -5.541 -0.000) 5.541 30.744 ( 0.000 2.297 -0.000) 2.297 30.879 ( 0.000 -1.377 -0.000) 1.377 30.962 ( 0.000 0.309 0.000) 0.309 31.366 ( 0.000 3.007 -0.000) 3.007 31.574 ( 0.000 -0.873 0.000) 0.873 31.805 ( 0.000 -5.539 0.000) 5.539 31.996 ( 0.000 -6.776 0.000) 6.776 32.207 ( 0.000 4.032 -0.000) 4.032 32.675 ( 0.000 -5.614 -0.000) 5.614 33.015 ( 0.000 -0.974 -0.000) 0.974 33.053 ( -0.000 -2.223 0.000) 2.223 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.000 22.591 0.000) 22.591 1.241 ( 0.000 21.290 0.000) 21.290 1.432 ( 0.000 -16.146 0.000) 16.146 1.598 ( 0.000 -13.312 0.000) 13.312 1.771 ( 0.000 13.163 0.000) 13.163 2.028 ( 0.000 -4.183 0.000) 4.183 2.085 ( 0.000 15.010 0.000) 15.010 2.197 ( 0.000 13.828 0.000) 13.828 2.336 ( 0.000 -5.713 0.000) 5.713 2.365 ( 0.000 3.601 0.000) 3.601 2.383 ( 0.000 -3.427 0.000) 3.427 2.455 ( 0.000 4.643 0.000) 4.643 2.587 ( 0.000 1.179 0.000) 1.179 2.667 ( 0.000 -2.498 0.000) 2.498 2.698 ( 0.000 4.581 0.000) 4.581 2.816 ( 0.000 -5.738 0.000) 5.738 2.871 ( 0.000 1.747 0.000) 1.747 2.897 ( 0.000 -3.079 0.000) 3.079 2.908 ( 0.000 -3.103 0.000) 3.103 3.056 ( 0.000 -3.873 0.000) 3.873 3.073 ( 0.000 4.492 0.000) 4.492 3.202 ( 0.000 2.082 0.000) 2.082 3.281 ( 0.000 -5.477 0.000) 5.477 3.336 ( 0.000 -18.717 0.000) 18.717 3.440 ( 0.000 3.502 0.000) 3.502 3.509 ( 0.000 -4.078 0.000) 4.078 3.621 ( 0.000 0.883 0.000) 0.883 3.674 ( 0.000 -3.741 0.000) 3.741 3.695 ( 0.000 7.457 0.000) 7.457 3.803 ( 0.000 -2.929 0.000) 2.929 3.961 ( 0.000 8.270 0.000) 8.270 4.080 ( 0.000 -1.886 0.000) 1.886 4.139 ( 0.000 10.200 0.000) 10.200 4.264 ( 0.000 4.579 0.000) 4.579 4.327 ( 0.000 -2.428 0.000) 2.428 4.402 ( 0.000 4.703 0.000) 4.703 4.408 ( 0.000 -9.816 0.000) 9.816 4.462 ( 0.000 -3.165 0.000) 3.165 4.627 ( 0.000 3.787 0.000) 3.787 4.685 ( 0.000 -1.199 0.000) 1.199 4.696 ( 0.000 5.314 0.000) 5.314 4.714 ( 0.000 5.916 0.000) 5.916 4.732 ( 0.000 0.484 0.000) 0.484 4.884 ( 0.000 -4.140 0.000) 4.140 4.891 ( 0.000 0.817 0.000) 0.817 4.929 ( 0.000 -8.463 0.000) 8.463 5.056 ( 0.000 2.303 0.000) 2.303 5.145 ( 0.000 -7.528 0.000) 7.528 5.455 ( 0.000 5.215 0.000) 5.215 5.552 ( 0.000 -3.126 0.000) 3.126 5.625 ( 0.000 5.522 0.000) 5.522 5.770 ( 0.000 -7.391 0.000) 7.391 5.830 ( 0.000 0.048 0.000) 0.048 5.837 ( 0.000 -0.792 0.000) 0.792 5.956 ( 0.000 2.121 0.000) 2.121 6.010 ( 0.000 -2.610 0.000) 2.610 6.578 ( 0.000 2.339 0.000) 2.339 6.592 ( 0.000 3.731 0.000) 3.731 6.619 ( 0.000 -1.457 0.000) 1.457 6.669 ( 0.000 -3.546 0.000) 3.546 7.156 ( 0.000 4.965 0.000) 4.965 7.205 ( 0.000 2.928 0.000) 2.928 7.227 ( 0.000 -2.720 0.000) 2.720 7.302 ( 0.000 -4.833 0.000) 4.833 7.918 ( 0.000 1.965 0.000) 1.965 7.974 ( 0.000 -2.826 0.000) 2.826 8.112 ( 0.000 4.308 0.000) 4.308 8.177 ( 0.000 -1.861 0.000) 1.861 8.738 ( 0.000 -0.159 0.000) 0.159 8.747 ( 0.000 -1.158 0.000) 1.158 8.961 ( 0.000 -0.224 0.000) 0.224 8.963 ( 0.000 -0.548 0.000) 0.548 9.445 ( 0.000 0.521 0.000) 0.521 9.464 ( 0.000 -1.259 0.000) 1.259 9.648 ( 0.000 1.789 0.000) 1.789 9.682 ( 0.000 -1.422 0.000) 1.422 10.793 ( 0.000 4.084 0.000) 4.084 10.820 ( 0.000 4.920 0.000) 4.920 10.882 ( 0.000 -4.430 0.000) 4.430 10.933 ( 0.000 -4.197 0.000) 4.197 10.954 ( 0.000 -2.231 0.000) 2.231 10.960 ( 0.000 -1.832 0.000) 1.832 11.298 ( 0.000 1.510 0.000) 1.510 11.317 ( 0.000 -0.094 0.000) 0.094 11.703 ( 0.000 1.017 0.000) 1.017 11.726 ( 0.000 -1.262 0.000) 1.262 11.891 ( 0.000 1.039 0.000) 1.039 11.916 ( 0.000 -1.364 0.000) 1.364 12.719 ( 0.000 1.161 0.000) 1.161 12.757 ( 0.000 -2.392 0.000) 2.392 13.140 ( 0.000 1.689 0.000) 1.689 13.177 ( 0.000 -1.785 0.000) 1.785 14.298 ( 0.000 0.461 0.000) 0.461 14.306 ( 0.000 -0.193 0.000) 0.193 14.695 ( 0.000 2.356 0.000) 2.356 14.751 ( 0.000 -2.786 0.000) 2.786 14.899 ( 0.000 0.311 0.000) 0.311 14.911 ( 0.000 -0.771 0.000) 0.771 14.976 ( 0.000 0.635 0.000) 0.635 14.977 ( 0.000 0.564 0.000) 0.564 15.612 ( 0.000 2.299 0.000) 2.299 15.668 ( 0.000 -2.829 0.000) 2.829 15.707 ( 0.000 1.723 0.000) 1.723 15.746 ( 0.000 -1.887 0.000) 1.887 15.933 ( 0.000 2.464 0.000) 2.464 15.981 ( 0.000 -2.017 0.000) 2.017 16.145 ( 0.000 0.881 0.000) 0.881 16.166 ( 0.000 -1.144 0.000) 1.144 16.873 ( 0.000 0.700 0.000) 0.700 16.885 ( 0.000 -0.297 0.000) 0.297 17.054 ( 0.000 3.803 0.000) 3.803 17.124 ( 0.000 -2.777 0.000) 2.777 17.279 ( 0.000 0.001 0.000) 0.001 17.282 ( 0.000 -0.268 0.000) 0.268 17.450 ( 0.000 0.174 0.000) 0.174 17.451 ( 0.000 0.075 0.000) 0.075 18.446 ( 0.000 0.433 0.000) 0.433 18.460 ( 0.000 -1.018 0.000) 1.018 18.686 ( 0.000 5.956 0.000) 5.956 18.816 ( 0.000 -6.193 0.000) 6.193 18.924 ( 0.000 2.047 0.000) 2.047 18.935 ( 0.000 0.900 0.000) 0.900 19.074 ( 0.000 0.044 0.000) 0.044 19.085 ( 0.000 -1.019 0.000) 1.019 27.707 ( 0.000 1.949 0.000) 1.949 27.774 ( 0.000 -4.378 0.000) 4.378 27.801 ( 0.000 3.548 0.000) 3.548 27.879 ( 0.000 -3.354 0.000) 3.354 27.904 ( 0.000 0.025 0.000) 0.025 27.911 ( 0.000 -0.057 0.000) 0.057 27.986 ( 0.000 1.149 0.000) 1.149 28.019 ( 0.000 -1.631 0.000) 1.631 29.039 ( 0.000 6.043 0.000) 6.043 29.126 ( 0.000 -2.538 0.000) 2.538 29.384 ( 0.000 3.791 0.000) 3.791 29.461 ( 0.000 -2.997 0.000) 2.997 29.541 ( 0.000 0.999 0.000) 0.999 29.574 ( 0.000 -2.179 0.000) 2.179 29.748 ( 0.000 4.534 0.000) 4.534 29.808 ( 0.000 -0.981 0.000) 0.981 30.088 ( 0.000 1.891 0.000) 1.891 30.128 ( 0.000 -1.503 0.000) 1.503 30.360 ( 0.000 3.043 0.000) 3.043 30.414 ( 0.000 -1.899 0.000) 1.899 30.589 ( 0.000 4.643 0.000) 4.643 30.686 ( 0.000 -3.869 0.000) 3.869 30.863 ( 0.000 9.572 0.000) 9.572 31.029 ( 0.000 -5.359 0.000) 5.359 31.274 ( 0.000 0.801 0.000) 0.801 31.382 ( 0.000 -10.030 0.000) 10.030 32.118 ( 0.000 0.801 0.000) 0.801 32.120 ( 0.000 0.130 0.000) 0.130 32.331 ( 0.000 0.200 0.000) 0.200 32.350 ( 0.000 -1.622 0.000) 1.622 32.600 ( 0.000 1.709 0.000) 1.709 32.643 ( 0.000 -2.221 0.000) 2.221 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 8.642 16.327 5.937) 19.403 1.239 ( 6.423 11.468 0.308) 13.147 1.635 ( 11.956 -1.409 -0.985) 12.079 1.704 ( 11.986 -10.022 1.468) 15.692 1.827 ( 5.443 5.331 4.902) 9.059 1.976 ( -2.249 1.222 2.938) 3.896 2.137 ( -0.956 3.408 3.405) 4.912 2.182 ( 2.659 14.783 -4.572) 15.700 2.295 ( -4.409 -3.765 5.237) 7.813 2.374 ( 0.441 -1.223 -1.456) 1.952 2.412 ( 4.032 -0.169 -4.922) 6.365 2.487 ( -2.791 3.446 4.474) 6.299 2.541 ( -1.461 0.210 -3.147) 3.476 2.607 ( -3.281 -5.338 -3.807) 7.331 2.682 ( -7.683 -2.899 5.330) 9.790 2.684 ( -5.021 -3.364 9.470) 11.234 2.842 ( 4.321 9.555 0.698) 10.510 2.958 ( 1.639 -3.632 -6.657) 7.758 2.990 ( 3.240 1.028 -3.955) 5.215 3.028 ( 2.456 3.782 -4.911) 6.668 3.129 ( -0.652 -3.079 -1.757) 3.604 3.218 ( 4.093 7.177 -4.571) 9.443 3.328 ( 2.874 -2.614 -1.968) 4.355 3.356 ( 1.746 -9.975 2.382) 10.403 3.439 ( 0.288 -1.481 -3.710) 4.005 3.519 ( -0.158 -6.017 -2.558) 6.540 3.640 ( 1.253 2.550 -0.030) 2.841 3.656 ( -1.541 2.845 2.635) 4.173 3.670 ( 0.309 -2.621 2.226) 3.452 3.764 ( -3.494 -3.536 -1.490) 5.190 3.903 ( -5.048 7.519 0.322) 9.062 4.026 ( -4.649 -2.901 3.224) 6.358 4.122 ( -1.963 9.535 3.676) 10.406 4.272 ( -1.888 0.609 3.063) 3.649 4.319 ( -1.741 0.401 3.275) 3.730 4.362 ( -3.555 1.779 -1.883) 4.398 4.380 ( -0.907 -2.625 -6.189) 6.784 4.415 ( -2.964 -7.252 4.986) 9.286 4.586 ( -6.485 3.281 3.149) 7.920 4.603 ( -5.377 1.905 -0.166) 5.707 4.631 ( 0.078 3.301 0.691) 3.373 4.736 ( -3.111 3.606 -3.465) 5.890 4.753 ( -0.159 0.543 -3.021) 3.073 4.858 ( 3.181 2.065 -4.546) 5.920 4.956 ( 1.679 -7.634 -0.349) 7.825 4.984 ( 2.027 -4.810 3.769) 6.438 5.060 ( 3.812 2.810 -1.237) 4.894 5.147 ( 0.034 -6.086 -1.333) 6.231 5.352 ( -8.628 4.170 -0.846) 9.620 5.452 ( -5.599 -3.764 -1.335) 6.878 5.637 ( 0.404 6.719 0.013) 6.732 5.762 ( -0.926 -1.423 1.625) 2.350 5.805 ( -1.776 -0.185 -2.344) 2.946 5.836 ( 1.124 -6.070 -3.140) 6.926 5.974 ( 0.934 4.389 4.047) 6.043 6.069 ( 3.111 -3.953 3.126) 5.923 6.589 ( 1.590 1.072 -2.034) 2.795 6.597 ( 1.478 0.347 -1.395) 2.061 6.706 ( 6.245 2.951 0.461) 6.922 6.780 ( 8.475 -3.937 2.013) 9.559 7.081 ( -3.655 5.369 1.421) 6.648 7.170 ( -2.675 -1.918 1.258) 3.524 7.276 ( 1.433 2.872 0.732) 3.293 7.403 ( 8.234 -8.036 0.371) 11.511 7.967 ( 3.832 2.011 -0.545) 4.362 8.025 ( 4.519 -3.186 -0.459) 5.549 8.087 ( -2.468 4.315 -0.214) 4.975 8.164 ( -1.264 -2.674 0.433) 2.989 8.736 ( -0.204 0.392 0.155) 0.468 8.752 ( 0.356 -1.256 -1.499) 1.988 8.904 ( -4.952 0.825 1.129) 5.146 8.926 ( -3.287 -1.365 0.796) 3.648 9.462 ( 1.439 0.305 1.315) 1.973 9.476 ( 1.076 -1.035 1.162) 1.891 9.660 ( 1.165 1.871 -1.533) 2.685 9.696 ( 1.224 -1.539 -3.226) 3.778 10.790 ( -0.291 3.920 -0.096) 3.932 10.823 ( 0.189 4.170 -0.674) 4.228 10.877 ( -0.621 -3.314 1.090) 3.544 10.912 ( -1.647 -2.806 0.172) 3.258 10.930 ( -1.278 -0.817 -0.206) 1.531 10.974 ( 0.752 -4.746 -0.908) 4.890 11.331 ( 2.845 1.623 -0.213) 3.282 11.347 ( 2.556 0.366 0.203) 2.590 11.686 ( -1.542 1.184 0.900) 2.143 11.709 ( -1.580 -0.934 -0.379) 1.874 11.873 ( -1.235 1.952 0.386) 2.342 11.913 ( -0.432 -1.812 0.791) 2.024 12.715 ( -0.357 0.800 -0.330) 0.936 12.738 ( -1.454 -1.244 -0.357) 1.947 13.139 ( -0.018 1.872 -0.182) 1.881 13.182 ( 0.341 -2.181 0.276) 2.224 14.302 ( 0.376 0.579 0.074) 0.695 14.312 ( 0.544 -0.279 0.124) 0.624 14.679 ( -1.370 1.880 0.489) 2.377 14.725 ( -2.065 -2.311 1.021) 3.263 14.902 ( 0.050 0.248 1.453) 1.474 14.906 ( 0.039 -0.071 0.091) 0.122 14.999 ( 2.062 1.042 -1.050) 2.537 15.017 ( 3.055 -0.740 -1.970) 3.710 15.589 ( -1.667 1.905 -0.383) 2.560 15.635 ( -2.121 -2.067 -1.096) 3.158 15.736 ( 1.327 0.980 1.732) 2.392 15.758 ( 1.097 -0.833 0.741) 1.564 15.943 ( 0.783 2.008 -1.157) 2.446 15.986 ( 0.559 -1.999 -0.407) 2.115 16.145 ( 0.082 1.219 0.648) 1.383 16.172 ( 0.510 -1.328 0.173) 1.433 16.846 ( -1.103 1.887 -1.044) 2.423 16.894 ( 0.047 -2.582 -0.608) 2.653 17.071 ( 1.345 4.223 0.324) 4.444 17.146 ( 1.709 -2.637 1.556) 3.506 17.287 ( 0.680 0.099 1.205) 1.387 17.293 ( 0.951 -0.546 1.403) 1.780 17.431 ( -1.503 0.360 -0.210) 1.559 17.438 ( -1.286 -0.196 -0.574) 1.422 18.448 ( -0.420 -0.262 0.071) 0.500 18.456 ( 0.237 -1.172 0.308) 1.235 18.689 ( 0.388 5.487 -0.364) 5.512 18.808 ( -0.767 -5.508 -0.092) 5.562 18.910 ( -1.690 2.667 1.391) 3.450 18.945 ( 0.333 -0.385 1.016) 1.137 19.053 ( -1.278 0.691 -0.296) 1.483 19.074 ( -0.563 -0.984 -2.167) 2.446 27.708 ( 0.038 1.932 -0.139) 1.937 27.773 ( -0.066 -4.206 -0.293) 4.217 27.802 ( 0.016 3.510 0.270) 3.520 27.880 ( 0.018 -3.271 -0.230) 3.279 27.899 ( -0.380 0.165 0.299) 0.511 27.908 ( -0.220 -0.298 0.564) 0.675 27.984 ( -0.194 0.937 0.012) 0.957 28.013 ( -0.498 -1.532 -0.637) 1.732 29.031 ( -0.644 6.295 -0.549) 6.351 29.132 ( 0.376 -3.381 -0.827) 3.501 29.367 ( -1.405 5.124 0.995) 5.405 29.453 ( -1.457 -2.425 1.640) 3.270 29.544 ( 0.048 1.119 1.014) 1.511 29.579 ( 0.456 -1.850 -0.454) 1.959 29.696 ( -4.214 4.828 -1.538) 6.590 29.749 ( -4.546 0.346 -0.347) 4.572 29.991 ( -3.344 4.609 -8.007) 9.825 30.086 ( -4.046 -4.405 -4.606) 7.549 30.341 ( -2.165 2.391 0.943) 3.361 30.400 ( -0.772 -2.842 0.175) 2.951 30.674 ( 4.096 6.436 4.040) 8.633 30.792 ( 4.000 -4.409 3.701) 7.010 30.872 ( 2.228 7.761 2.255) 8.384 30.996 ( -2.403 -2.342 -0.433) 3.383 31.314 ( 3.388 -3.767 -5.501) 7.478 31.347 ( -0.506 -7.355 -1.589) 7.542 31.950 ( -11.552 3.503 3.416) 12.546 32.011 ( -6.964 -2.271 3.246) 8.012 32.320 ( -0.092 4.285 -2.509) 4.966 32.417 ( 4.736 -4.815 -1.757) 6.978 32.716 ( 9.626 4.384 0.294) 10.582 32.835 ( 11.346 -7.300 3.168) 13.858 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 8.014 12.936 7.406) 16.924 1.444 ( 8.597 2.649 1.354) 9.097 1.818 ( 7.263 7.537 -3.188) 10.942 1.945 ( 5.282 2.695 10.348) 11.927 1.962 ( 1.422 5.018 1.075) 5.325 1.981 ( 6.589 -5.707 -0.056) 8.717 2.129 ( 2.274 1.230 2.288) 3.452 2.220 ( -1.928 1.577 1.671) 3.000 2.253 ( 1.883 4.071 -5.152) 6.831 2.330 ( -1.614 3.388 -0.640) 3.807 2.409 ( -3.054 -4.740 3.861) 6.834 2.441 ( -3.536 -2.057 -1.702) 4.431 2.502 ( -3.940 -5.005 -4.624) 7.871 2.510 ( 0.853 -11.382 1.956) 11.581 2.614 ( -0.849 -1.089 -2.855) 3.171 2.650 ( 0.188 -5.369 4.874) 7.254 2.908 ( -0.432 3.251 -2.670) 4.229 2.944 ( -1.990 -2.230 -0.310) 3.004 3.045 ( 2.522 4.077 0.015) 4.794 3.120 ( 1.707 -0.012 0.425) 1.759 3.181 ( 11.205 13.227 -2.944) 17.583 3.301 ( 3.274 4.201 -7.351) 9.078 3.332 ( -2.608 5.046 0.331) 5.690 3.388 ( 1.486 3.107 -6.283) 7.165 3.424 ( -2.642 -4.098 -0.130) 4.877 3.491 ( 1.571 -2.650 2.418) 3.917 3.596 ( -1.174 3.094 -4.479) 5.569 3.655 ( -4.957 -1.555 4.567) 6.917 3.714 ( 1.909 -0.559 1.189) 2.317 3.796 ( -4.282 6.289 1.817) 7.822 3.813 ( 10.865 -8.464 0.689) 13.790 3.938 ( -3.686 -4.541 -0.170) 5.851 4.055 ( -4.414 7.656 0.844) 8.878 4.153 ( -9.313 3.513 3.828) 10.664 4.228 ( -2.652 -2.274 2.248) 4.154 4.338 ( -5.370 -8.310 4.794) 10.995 4.358 ( -2.773 2.104 -3.618) 5.020 4.390 ( 2.249 -1.010 -2.400) 3.441 4.461 ( -2.795 2.758 2.850) 4.852 4.517 ( -3.826 -1.806 -0.277) 4.240 4.635 ( -0.249 4.293 0.743) 4.364 4.666 ( -2.435 6.371 -1.173) 6.920 4.738 ( -0.323 0.205 -1.151) 1.213 4.906 ( -2.316 3.705 -3.867) 5.835 4.956 ( 0.291 -7.836 -3.745) 8.690 4.990 ( -0.028 -6.864 1.876) 7.116 5.119 ( 1.249 0.555 0.046) 1.367 5.153 ( -0.307 -3.211 -0.838) 3.332 5.243 ( -1.104 0.695 0.454) 1.381 5.321 ( -6.521 -5.031 0.262) 8.240 5.664 ( 2.152 7.591 -1.025) 7.956 5.766 ( 1.146 1.415 0.450) 1.876 5.787 ( 0.303 -0.812 -2.270) 2.429 5.869 ( 1.973 -8.500 -1.836) 8.917 5.981 ( -0.326 5.992 2.640) 6.555 6.109 ( 0.896 -5.176 2.493) 5.814 6.622 ( 1.392 1.686 -1.099) 2.447 6.648 ( 3.344 -0.649 -2.321) 4.122 6.821 ( 3.925 5.104 1.042) 6.522 6.882 ( 0.151 0.792 2.862) 2.974 7.083 ( 3.922 -1.430 -0.147) 4.177 7.111 ( -2.318 -2.490 2.114) 4.005 7.314 ( 2.053 9.135 0.200) 9.365 7.543 ( 5.069 -12.020 0.331) 13.049 8.022 ( -3.290 4.481 0.235) 5.564 8.026 ( 1.193 2.614 -0.819) 2.988 8.112 ( 2.710 -3.724 -0.482) 4.631 8.142 ( 0.104 -4.783 0.932) 4.874 8.731 ( -0.215 1.645 0.367) 1.699 8.755 ( -0.010 -0.887 -1.537) 1.775 8.804 ( -4.141 1.695 0.419) 4.494 8.858 ( -2.926 -2.947 0.546) 4.189 9.493 ( 1.261 0.012 1.524) 1.978 9.499 ( 0.907 -0.573 1.102) 1.538 9.685 ( 1.306 1.632 -1.388) 2.509 9.715 ( 0.784 -1.144 -2.810) 3.134 10.782 ( -0.384 3.377 -0.017) 3.399 10.820 ( -0.482 0.508 -0.541) 0.885 10.866 ( -0.234 2.142 1.192) 2.462 10.884 ( -0.911 -1.781 -0.046) 2.001 10.912 ( -0.599 -1.760 -0.506) 1.927 10.987 ( 0.537 -5.879 -0.542) 5.929 11.385 ( 2.057 2.677 0.108) 3.377 11.407 ( 3.110 0.345 -0.364) 3.150 11.655 ( -1.342 0.992 0.908) 1.900 11.670 ( -1.962 -0.288 0.013) 1.983 11.856 ( -0.530 2.064 0.361) 2.161 11.903 ( -0.505 -2.193 0.577) 2.323 12.706 ( -0.443 0.296 -0.254) 0.590 12.712 ( -0.930 -0.275 -0.284) 1.011 13.138 ( -0.062 2.142 -0.191) 2.151 13.186 ( 0.053 -2.366 0.168) 2.372 14.310 ( 0.352 0.769 0.119) 0.854 14.323 ( 0.457 -0.319 0.166) 0.581 14.650 ( -1.265 1.669 0.117) 2.098 14.689 ( -1.393 -1.804 0.621) 2.362 14.903 ( 0.072 0.027 0.725) 0.730 14.911 ( 0.163 -0.832 0.567) 1.020 15.041 ( 1.780 1.698 -0.802) 2.587 15.071 ( 2.092 -0.951 -1.248) 2.615 15.560 ( -1.057 1.316 -0.321) 1.718 15.598 ( -1.370 -2.043 -0.530) 2.517 15.748 ( 0.062 2.149 1.229) 2.477 15.784 ( 1.015 -1.227 0.546) 1.684 15.954 ( 0.369 2.166 -0.908) 2.377 16.000 ( 0.706 -2.221 -0.464) 2.376 16.150 ( 0.309 1.463 0.416) 1.552 16.183 ( 0.498 -1.578 0.071) 1.656 16.837 ( 0.055 1.752 -0.503) 1.823 16.894 ( 0.157 -3.624 -0.417) 3.652 17.096 ( 1.010 5.069 0.195) 5.172 17.178 ( 1.088 -2.095 1.488) 2.790 17.307 ( 1.198 0.244 1.061) 1.619 17.319 ( 1.428 -0.938 1.459) 2.247 17.398 ( -1.677 -0.090 -0.697) 1.818 17.404 ( -1.777 -0.487 -0.756) 1.992 18.432 ( -0.803 0.984 0.378) 1.325 18.470 ( 0.764 -3.042 0.287) 3.149 18.704 ( 1.281 4.074 -1.063) 4.401 18.786 ( -1.494 -3.150 -0.950) 3.613 18.865 ( -2.242 2.486 1.571) 3.698 18.928 ( -1.797 -2.841 2.238) 4.039 19.050 ( 0.774 1.292 -1.272) 1.972 19.071 ( 0.271 -0.426 -1.221) 1.321 27.708 ( 0.037 1.907 -0.126) 1.911 27.772 ( -0.035 -4.015 -0.262) 4.023 27.802 ( -0.000 3.563 0.260) 3.573 27.878 ( -0.129 -2.781 -0.280) 2.798 27.892 ( -0.311 0.503 0.195) 0.623 27.906 ( -0.041 -1.241 0.629) 1.392 27.981 ( -0.107 0.405 0.216) 0.471 28.001 ( -0.569 -1.292 -0.813) 1.629 29.019 ( -0.427 6.411 -0.542) 6.448 29.133 ( -0.150 -4.434 -0.694) 4.490 29.339 ( -1.362 6.795 1.473) 7.085 29.396 ( -3.450 1.301 0.698) 3.753 29.538 ( -0.565 1.277 0.732) 1.577 29.589 ( 0.680 -0.867 -0.649) 1.279 29.646 ( -0.418 1.981 -1.270) 2.389 29.679 ( -2.136 0.345 -1.306) 2.528 29.955 ( -0.504 2.024 -4.373) 4.845 30.016 ( -2.201 -3.618 -2.667) 5.005 30.302 ( -1.499 2.803 1.235) 3.410 30.384 ( -0.695 -4.804 0.493) 4.879 30.689 ( -1.107 10.523 1.775) 10.729 30.802 ( -0.947 0.263 -0.606) 1.155 30.882 ( -2.485 -0.945 0.939) 2.819 30.948 ( -3.433 -3.694 2.455) 5.608 31.350 ( 5.907 2.761 -6.308) 9.073 31.497 ( 9.494 -9.219 -2.068) 13.394 31.753 ( -8.158 6.025 5.455) 11.516 31.894 ( -5.451 -6.983 4.288) 9.842 32.330 ( 0.855 7.149 -2.421) 7.596 32.492 ( 2.743 -7.826 -1.692) 8.464 32.901 ( 7.698 3.276 -0.224) 8.369 32.992 ( 3.937 -5.536 2.631) 7.285 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 0.000 9.282 0.000) 9.282 1.521 ( 0.000 2.299 0.000) 2.299 1.893 ( 0.000 5.989 0.000) 5.989 1.990 ( 0.000 6.743 -0.000) 6.743 2.001 ( -0.000 5.968 0.000) 5.968 2.021 ( 0.000 -3.875 -0.000) 3.875 2.115 ( 0.000 7.238 -0.000) 7.238 2.196 ( 0.000 6.599 0.000) 6.599 2.315 ( -0.000 2.933 -0.000) 2.933 2.323 ( 0.000 -2.575 0.000) 2.575 2.378 ( 0.000 -6.975 0.000) 6.975 2.421 ( -0.000 -7.536 -0.000) 7.536 2.449 ( 0.000 -6.508 -0.000) 6.508 2.546 ( -0.000 -14.516 0.000) 14.516 2.624 ( -0.000 -0.830 0.000) 0.830 2.635 ( 0.000 -1.772 -0.000) 1.772 2.881 ( 0.000 0.668 -0.000) 0.668 2.911 ( 0.000 -2.324 0.000) 2.324 3.084 ( 0.000 3.732 -0.000) 3.732 3.156 ( 0.000 -1.500 -0.000) 1.500 3.236 ( 0.000 6.477 -0.000) 6.477 3.302 ( 0.000 6.771 0.000) 6.771 3.348 ( 0.000 5.668 0.000) 5.668 3.399 ( 0.000 -2.163 -0.000) 2.163 3.460 ( 0.000 -2.339 0.000) 2.339 3.489 ( 0.000 0.701 -0.000) 0.701 3.572 ( 0.000 2.008 -0.000) 2.008 3.622 ( 0.000 -0.639 0.000) 0.639 3.760 ( 0.000 6.669 0.000) 6.669 3.771 ( 0.000 8.087 0.000) 8.087 3.891 ( 0.000 0.094 0.000) 0.094 3.943 ( 0.000 8.914 -0.000) 8.914 4.014 ( 0.000 -6.268 -0.000) 6.268 4.032 ( 0.000 2.320 0.000) 2.320 4.205 ( 0.000 -7.192 0.000) 7.192 4.218 ( 0.000 -4.237 0.000) 4.237 4.320 ( 0.000 0.326 0.000) 0.326 4.436 ( 0.000 -2.581 -0.000) 2.581 4.441 ( -0.000 1.631 0.000) 1.631 4.467 ( 0.000 -3.337 -0.000) 3.337 4.629 ( 0.000 9.802 0.000) 9.802 4.636 ( -0.000 4.946 -0.000) 4.946 4.740 ( 0.000 1.887 -0.000) 1.887 4.839 ( 0.000 3.860 0.000) 3.860 4.969 ( 0.000 -15.621 0.000) 15.621 5.032 ( 0.000 -12.815 -0.000) 12.815 5.085 ( -0.000 3.861 0.000) 3.861 5.140 ( 0.000 -1.071 0.000) 1.071 5.244 ( 0.000 -1.150 0.000) 1.150 5.261 ( 0.000 -1.373 -0.000) 1.373 5.691 ( 0.000 7.112 -0.000) 7.112 5.784 ( 0.000 2.044 -0.000) 2.044 5.794 ( 0.000 -1.376 0.000) 1.376 5.892 ( 0.000 -8.772 0.000) 8.772 5.976 ( 0.000 6.662 -0.000) 6.662 6.118 ( 0.000 -5.692 0.000) 5.692 6.638 ( 0.000 2.830 -0.000) 2.830 6.689 ( 0.000 -1.863 -0.000) 1.863 6.853 ( 0.000 4.323 0.000) 4.323 6.867 ( 0.000 2.804 -0.000) 2.804 7.095 ( 0.000 -0.072 -0.000) 0.072 7.138 ( 0.000 -3.814 -0.000) 3.814 7.340 ( 0.000 10.569 0.000) 10.569 7.595 ( 0.000 -12.885 0.000) 12.885 7.980 ( 0.000 4.508 -0.000) 4.508 8.029 ( 0.000 0.571 0.000) 0.571 8.127 ( 0.000 -2.184 0.000) 2.184 8.162 ( 0.000 -5.312 0.000) 5.312 8.733 ( -0.000 3.845 -0.000) 3.845 8.743 ( 0.000 0.559 0.000) 0.559 8.768 ( 0.000 -0.721 0.000) 0.721 8.827 ( 0.000 -3.806 -0.000) 3.806 9.508 ( 0.000 -0.171 0.000) 0.171 9.509 ( 0.000 -0.308 -0.000) 0.308 9.700 ( 0.000 1.279 0.000) 1.279 9.721 ( 0.000 -0.666 0.000) 0.666 10.778 ( 0.000 3.039 0.000) 3.039 10.812 ( 0.000 -1.308 -0.000) 1.308 10.866 ( 0.000 5.304 -0.000) 5.304 10.876 ( 0.000 -1.438 0.000) 1.438 10.905 ( 0.000 -2.738 0.000) 2.738 10.992 ( 0.000 -6.123 -0.000) 6.123 11.407 ( 0.000 3.621 -0.000) 3.621 11.445 ( 0.000 -0.197 -0.000) 0.197 11.640 ( 0.000 0.503 0.000) 0.503 11.647 ( 0.000 0.190 -0.000) 0.190 11.851 ( 0.000 1.858 -0.000) 1.858 11.898 ( 0.000 -2.275 0.000) 2.275 12.701 ( 0.000 0.155 0.000) 0.155 12.703 ( 0.000 -0.130 -0.000) 0.130 13.138 ( 0.000 2.241 -0.000) 2.241 13.187 ( 0.000 -2.348 -0.000) 2.348 14.314 ( 0.000 0.848 0.000) 0.848 14.328 ( 0.000 -0.334 -0.000) 0.334 14.637 ( 0.000 1.766 0.000) 1.766 14.675 ( 0.000 -1.693 0.000) 1.693 14.905 ( 0.000 -0.266 -0.000) 0.266 14.913 ( 0.000 -1.138 -0.000) 1.138 15.059 ( 0.000 1.943 0.000) 1.943 15.092 ( 0.000 -0.876 0.000) 0.876 15.549 ( 0.000 1.052 -0.000) 1.052 15.583 ( 0.000 -2.039 -0.000) 2.039 15.748 ( 0.000 2.627 -0.000) 2.627 15.794 ( 0.000 -1.628 0.000) 1.628 15.958 ( 0.000 2.417 -0.000) 2.417 16.008 ( 0.000 -2.340 -0.000) 2.340 16.154 ( 0.000 1.487 -0.000) 1.487 16.189 ( 0.000 -1.671 -0.000) 1.671 16.838 ( 0.000 1.672 -0.000) 1.672 16.897 ( 0.000 -3.783 0.000) 3.783 17.107 ( 0.000 5.449 -0.000) 5.449 17.189 ( 0.000 -1.713 0.000) 1.713 17.325 ( 0.000 0.723 0.000) 0.723 17.346 ( 0.000 -1.420 -0.000) 1.420 17.367 ( 0.000 0.208 0.000) 0.208 17.383 ( 0.000 -1.372 0.000) 1.372 18.423 ( 0.000 1.797 -0.000) 1.797 18.479 ( 0.000 -3.799 -0.000) 3.799 18.730 ( 0.000 2.752 -0.000) 2.752 18.755 ( 0.000 -0.407 0.000) 0.407 18.843 ( 0.000 1.220 0.000) 1.220 18.906 ( 0.000 -3.713 0.000) 3.713 19.060 ( 0.000 1.062 -0.000) 1.062 19.074 ( 0.000 -0.015 0.000) 0.015 27.709 ( 0.000 1.895 -0.000) 1.895 27.771 ( 0.000 -3.983 0.000) 3.983 27.802 ( 0.000 3.650 -0.000) 3.650 27.876 ( 0.000 -2.389 0.000) 2.389 27.889 ( 0.000 0.576 -0.000) 0.576 27.906 ( 0.000 -1.773 0.000) 1.773 27.980 ( 0.000 -0.034 0.000) 0.034 27.994 ( 0.000 -1.024 -0.000) 1.024 29.014 ( 0.000 6.340 0.000) 6.340 29.131 ( 0.000 -4.663 0.000) 4.663 29.323 ( 0.000 7.286 0.000) 7.286 29.357 ( 0.000 2.204 -0.000) 2.204 29.531 ( 0.000 1.597 0.000) 1.597 29.600 ( 0.000 -0.520 -0.000) 0.520 29.648 ( 0.000 -0.444 0.000) 0.444 29.656 ( 0.000 1.338 -0.000) 1.338 29.950 ( 0.000 1.025 -0.000) 1.025 29.994 ( 0.000 -3.082 0.000) 3.082 30.287 ( 0.000 2.797 0.000) 2.797 30.377 ( 0.000 -5.527 -0.000) 5.527 30.676 ( 0.000 12.346 -0.000) 12.346 30.796 ( 0.000 2.398 0.000) 2.398 30.842 ( 0.000 -2.025 0.000) 2.025 30.896 ( 0.000 -7.328 0.000) 7.328 31.463 ( 0.000 6.027 -0.000) 6.027 31.574 ( 0.000 -1.405 0.000) 1.405 31.691 ( 0.000 -1.435 -0.000) 1.435 31.812 ( -0.000 -9.283 0.000) 9.283 32.339 ( 0.000 7.986 -0.000) 7.986 32.520 ( 0.000 -8.612 -0.000) 8.612 32.999 ( 0.000 -0.272 -0.000) 0.272 33.011 ( -0.000 -1.422 0.000) 1.422 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( -8.228 0.000 18.838) 20.556 0.532 ( -7.740 0.000 28.446) 29.481 0.947 ( 0.126 0.000 48.491) 48.491 1.562 ( 2.641 0.000 -6.132) 6.676 1.671 ( 1.862 0.000 9.789) 9.964 1.921 ( -6.278 0.000 15.955) 17.146 2.097 ( 4.098 0.000 9.742) 10.569 2.231 ( 3.198 0.000 -2.520) 4.072 2.251 ( 0.963 0.000 -2.076) 2.288 2.323 ( 4.680 0.000 -2.635) 5.371 2.392 ( 2.464 0.000 -3.464) 4.251 2.444 ( -1.795 0.000 -8.521) 8.708 2.587 ( 3.671 0.000 -7.031) 7.931 2.632 ( -2.170 0.000 5.554) 5.963 2.780 ( 4.616 0.000 -11.554) 12.442 2.787 ( -6.139 0.000 3.191) 6.919 2.940 ( 0.971 0.000 -6.556) 6.627 2.959 ( -1.497 0.000 0.350) 1.537 3.085 ( 0.563 0.000 -1.076) 1.214 3.140 ( -8.845 0.000 -0.688) 8.872 3.222 ( -2.390 0.000 6.394) 6.826 3.276 ( -2.392 0.000 -1.091) 2.629 3.327 ( 6.878 0.000 4.304) 8.113 3.337 ( 1.360 0.000 2.172) 2.563 3.484 ( -6.246 0.000 5.333) 8.213 3.653 ( 0.351 0.000 -4.098) 4.113 3.660 ( -0.103 0.000 -2.113) 2.115 3.746 ( 3.453 0.000 -0.210) 3.459 3.771 ( -2.804 0.000 9.587) 9.988 3.819 ( 6.568 0.000 0.453) 6.584 3.902 ( 0.848 0.000 -3.071) 3.186 3.930 ( 3.044 0.000 0.067) 3.045 3.981 ( -1.795 0.000 5.782) 6.055 4.170 ( -2.680 0.000 -13.245) 13.513 4.190 ( 1.032 0.000 6.305) 6.389 4.287 ( -3.239 0.000 -3.912) 5.079 4.334 ( 3.939 0.000 -5.742) 6.964 4.335 ( 3.368 0.000 4.317) 5.475 4.478 ( 2.459 0.000 -3.086) 3.946 4.605 ( 0.134 0.000 0.709) 0.721 4.607 ( 1.204 0.000 9.747) 9.821 4.721 ( -4.741 0.000 4.571) 6.586 4.774 ( 2.814 0.000 4.425) 5.244 4.799 ( -3.512 0.000 2.642) 4.395 4.959 ( -0.767 0.000 1.013) 1.271 5.279 ( -4.381 0.000 -3.676) 5.719 5.296 ( -1.229 0.000 -1.266) 1.765 5.428 ( 1.747 0.000 -8.297) 8.479 5.434 ( 0.896 0.000 -4.351) 4.443 5.495 ( -0.094 0.000 -3.156) 3.157 5.658 ( -0.547 0.000 -7.889) 7.908 5.724 ( 3.066 0.000 -1.679) 3.496 5.850 ( -1.388 0.000 -1.960) 2.402 5.996 ( -4.947 0.000 3.274) 5.933 6.087 ( 21.139 0.000 1.095) 21.167 6.121 ( 1.214 0.000 4.933) 5.080 6.471 ( -2.502 0.000 -1.503) 2.919 6.489 ( -8.954 0.000 -2.439) 9.281 6.512 ( 0.355 0.000 -2.547) 2.572 6.627 ( 0.428 0.000 -1.904) 1.952 7.013 ( 0.162 0.000 2.087) 2.093 7.135 ( -0.293 0.000 0.459) 0.544 7.342 ( 9.255 0.000 -0.920) 9.301 7.352 ( 3.490 0.000 -1.960) 4.002 7.810 ( -1.191 0.000 1.527) 1.936 7.926 ( 4.677 0.000 -0.275) 4.685 7.986 ( 0.879 0.000 2.027) 2.209 8.193 ( -0.470 0.000 -1.818) 1.877 8.622 ( -0.077 0.000 0.501) 0.506 8.783 ( -0.170 0.000 -2.466) 2.472 8.973 ( -2.762 0.000 1.512) 3.148 8.997 ( -0.289 0.000 0.725) 0.780 9.457 ( 1.141 0.000 1.552) 1.926 9.536 ( 1.167 0.000 2.931) 3.155 9.573 ( -0.113 0.000 -0.741) 0.749 10.064 ( -8.849 0.000 -5.400) 10.366 10.712 ( -2.440 0.000 -0.462) 2.483 10.729 ( -0.045 0.000 -0.236) 0.240 10.966 ( 0.400 0.000 1.592) 1.641 11.034 ( 2.658 0.000 -0.305) 2.675 11.063 ( -2.748 0.000 0.257) 2.760 11.114 ( -0.103 0.000 -0.945) 0.951 11.120 ( 0.562 0.000 0.635) 0.848 11.239 ( 0.661 0.000 -0.926) 1.138 11.606 ( -0.049 0.000 1.990) 1.990 11.791 ( -2.805 0.000 -1.799) 3.332 11.832 ( -5.401 0.000 0.044) 5.401 11.931 ( 0.601 0.000 -2.397) 2.471 12.730 ( -0.231 0.000 2.740) 2.749 12.770 ( -0.341 0.000 3.708) 3.723 13.071 ( 0.165 0.000 -2.494) 2.499 13.209 ( 2.727 0.000 -3.663) 4.566 14.289 ( 1.016 0.000 0.258) 1.048 14.300 ( -0.079 0.000 -0.243) 0.255 14.660 ( -4.211 0.000 -1.823) 4.589 14.772 ( 2.179 0.000 -2.968) 3.682 14.849 ( -0.475 0.000 0.140) 0.496 14.926 ( -2.154 0.000 1.634) 2.703 14.926 ( 2.299 0.000 -1.205) 2.596 14.963 ( 2.920 0.000 0.495) 2.961 15.615 ( -4.508 0.000 -1.130) 4.648 15.627 ( 0.462 0.000 -1.919) 1.974 15.717 ( 0.050 0.000 2.185) 2.186 15.731 ( 0.272 0.000 -0.147) 0.309 15.930 ( -5.193 0.000 1.499) 5.405 16.029 ( 0.034 0.000 -0.772) 0.772 16.144 ( -0.060 0.000 3.094) 3.094 16.209 ( -0.122 0.000 0.809) 0.819 16.829 ( -0.169 0.000 0.733) 0.752 16.907 ( 5.612 0.000 -0.715) 5.657 16.943 ( -0.323 0.000 1.993) 2.019 17.167 ( -0.480 0.000 -1.666) 1.734 17.296 ( 0.792 0.000 0.765) 1.101 17.437 ( 0.012 0.000 -0.644) 0.644 17.478 ( -1.110 0.000 2.985) 3.185 17.633 ( 3.669 0.000 -0.136) 3.672 18.454 ( 4.178 0.000 0.674) 4.232 18.500 ( 0.787 0.000 0.350) 0.861 18.539 ( 1.895 0.000 0.306) 1.920 18.720 ( -0.052 0.000 -3.339) 3.339 18.848 ( 1.130 0.000 1.576) 1.939 18.893 ( -0.658 0.000 0.452) 0.798 19.042 ( 0.694 0.000 1.449) 1.607 19.143 ( -3.454 0.000 -0.905) 3.571 27.690 ( -0.198 0.000 0.553) 0.587 27.764 ( 1.969 0.000 -0.610) 2.061 27.849 ( 0.279 0.000 -1.109) 1.143 27.932 ( -0.554 0.000 2.599) 2.658 27.940 ( -0.065 0.000 -0.560) 0.563 27.955 ( 0.357 0.000 -2.496) 2.521 28.001 ( 0.181 0.000 -0.539) 0.569 28.059 ( -0.647 0.000 0.805) 1.033 28.819 ( -0.260 0.000 2.208) 2.223 28.937 ( -0.012 0.000 0.063) 0.064 29.386 ( -1.115 0.000 0.045) 1.116 29.424 ( 1.469 0.000 -2.517) 2.914 29.543 ( 2.382 0.000 3.219) 4.004 29.614 ( -0.026 0.000 -0.759) 0.760 29.639 ( -0.296 0.000 -1.483) 1.512 29.680 ( -15.561 0.000 9.739) 18.357 29.914 ( -13.878 0.000 -2.093) 14.035 30.360 ( 0.299 0.000 3.904) 3.915 30.418 ( -4.403 0.000 -3.058) 5.361 30.446 ( -25.859 0.000 4.815) 26.303 30.471 ( 5.160 0.000 0.362) 5.173 30.512 ( 2.391 0.000 2.150) 3.215 30.995 ( -4.865 0.000 -7.867) 9.250 31.221 ( -6.299 0.000 -1.891) 6.576 31.299 ( 9.171 0.000 0.472) 9.183 31.733 ( 6.956 0.000 -3.233) 7.670 32.020 ( 4.801 0.000 2.725) 5.520 32.205 ( -2.593 0.000 0.383) 2.621 32.309 ( -7.567 0.000 -2.971) 8.130 32.334 ( -17.883 0.000 -1.688) 17.962 32.561 ( -2.101 0.000 -0.494) 2.158 32.597 ( 49.486 0.000 -1.014) 49.496 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 16.744 0.000 16.261) 23.340 0.697 ( 28.011 0.000 6.069) 28.661 1.281 ( 23.715 0.000 34.449) 41.822 1.657 ( 6.725 0.000 -1.437) 6.876 1.707 ( -6.346 0.000 15.511) 16.759 1.942 ( 13.160 0.000 3.345) 13.578 2.217 ( 6.426 0.000 5.498) 8.457 2.261 ( -5.551 0.000 2.271) 5.998 2.277 ( 2.099 0.000 -1.569) 2.620 2.308 ( 0.894 0.000 -4.785) 4.868 2.388 ( -1.409 0.000 -5.771) 5.940 2.417 ( -3.507 0.000 -4.698) 5.863 2.544 ( -6.193 0.000 7.804) 9.962 2.669 ( 2.794 0.000 -2.097) 3.493 2.676 ( -1.073 0.000 -5.164) 5.274 2.859 ( 2.245 0.000 -2.721) 3.528 2.935 ( -3.916 0.000 -4.891) 6.266 2.997 ( -0.072 0.000 -5.141) 5.142 3.020 ( 0.618 0.000 -7.219) 7.246 3.058 ( -9.976 0.000 6.620) 11.973 3.076 ( -0.533 0.000 3.274) 3.317 3.178 ( -11.296 0.000 0.416) 11.303 3.205 ( -3.889 0.000 -4.536) 5.975 3.426 ( 4.444 0.000 2.717) 5.209 3.456 ( 0.286 0.000 8.040) 8.045 3.594 ( -4.931 0.000 0.038) 4.931 3.625 ( -1.690 0.000 -1.305) 2.135 3.704 ( -3.973 0.000 1.546) 4.264 3.810 ( 4.208 0.000 -0.559) 4.245 3.879 ( -3.760 0.000 3.766) 5.322 3.930 ( -1.705 0.000 2.730) 3.218 3.965 ( -5.030 0.000 3.532) 6.146 4.086 ( 13.274 0.000 -0.693) 13.292 4.099 ( -5.813 0.000 -11.120) 12.547 4.206 ( 1.284 0.000 5.115) 5.274 4.213 ( 1.370 0.000 -7.647) 7.769 4.398 ( 1.736 0.000 6.785) 7.003 4.425 ( 4.847 0.000 1.751) 5.154 4.501 ( -2.047 0.000 -5.313) 5.693 4.547 ( -6.609 0.000 10.629) 12.517 4.604 ( -1.155 0.000 4.145) 4.303 4.674 ( 1.289 0.000 2.561) 2.867 4.794 ( 5.670 0.000 -9.905) 11.413 4.848 ( -0.174 0.000 10.760) 10.761 5.015 ( 4.058 0.000 1.502) 4.327 5.025 ( -10.816 0.000 4.297) 11.638 5.239 ( -10.817 0.000 2.869) 11.191 5.349 ( -3.731 0.000 -3.184) 4.905 5.430 ( -5.400 0.000 -2.809) 6.087 5.440 ( -0.344 0.000 -2.558) 2.581 5.644 ( -6.100 0.000 9.462) 11.258 5.646 ( 0.324 0.000 -6.781) 6.788 5.779 ( 2.056 0.000 -2.832) 3.500 5.815 ( -2.018 0.000 -0.714) 2.141 6.116 ( 1.368 0.000 -1.578) 2.089 6.143 ( 0.859 0.000 3.774) 3.871 6.469 ( 2.510 0.000 -3.496) 4.303 6.536 ( 1.962 0.000 -1.921) 2.746 6.624 ( 0.569 0.000 -1.791) 1.879 6.778 ( 6.283 0.000 -4.078) 7.491 7.011 ( 2.641 0.000 -0.982) 2.817 7.121 ( -1.094 0.000 0.402) 1.166 7.370 ( -1.693 0.000 1.879) 2.529 7.755 ( 12.316 0.000 -10.873) 16.429 7.808 ( 0.759 0.000 0.768) 1.080 7.991 ( -0.509 0.000 2.990) 3.033 8.176 ( -0.102 0.000 -3.120) 3.121 8.276 ( 19.151 0.000 -22.750) 29.738 8.614 ( -0.650 0.000 0.613) 0.894 8.772 ( -1.235 0.000 -1.863) 2.235 8.875 ( -5.433 0.000 6.424) 8.413 8.971 ( -2.124 0.000 0.500) 2.182 9.489 ( 1.605 0.000 1.543) 2.226 9.563 ( 0.990 0.000 4.430) 4.539 9.583 ( 1.145 0.000 -1.043) 1.549 9.762 ( -10.479 0.000 4.213) 11.294 10.676 ( -0.518 0.000 0.627) 0.814 10.729 ( 0.077 0.000 -0.164) 0.181 10.970 ( 0.022 0.000 1.437) 1.437 10.989 ( -3.876 0.000 0.815) 3.961 11.085 ( 1.771 0.000 -0.906) 1.989 11.110 ( -0.374 0.000 -0.931) 1.003 11.144 ( 1.557 0.000 1.246) 1.994 11.273 ( 2.654 0.000 -1.347) 2.976 11.610 ( 0.222 0.000 1.897) 1.910 11.690 ( -2.294 0.000 2.859) 3.666 11.811 ( 0.412 0.000 -1.249) 1.315 11.939 ( 0.289 0.000 -2.072) 2.092 12.721 ( -0.733 0.000 2.339) 2.451 12.761 ( -0.733 0.000 3.612) 3.685 13.049 ( -1.029 0.000 -3.341) 3.496 13.241 ( 0.198 0.000 -4.561) 4.565 14.303 ( 0.428 0.000 -0.133) 0.448 14.304 ( 0.261 0.000 1.330) 1.355 14.614 ( -1.155 0.000 -1.866) 2.195 14.773 ( -2.040 0.000 -1.272) 2.404 14.863 ( 1.981 0.000 -0.918) 2.183 14.929 ( 2.296 0.000 0.424) 2.335 14.957 ( 1.695 0.000 -0.137) 1.700 15.034 ( 1.412 0.000 -1.746) 2.245 15.533 ( -2.019 0.000 -0.744) 2.151 15.624 ( -0.656 0.000 -1.643) 1.769 15.723 ( 0.336 0.000 2.261) 2.286 15.762 ( 2.327 0.000 0.063) 2.328 15.885 ( -0.355 0.000 1.842) 1.876 16.034 ( 0.451 0.000 -0.566) 0.724 16.165 ( 1.236 0.000 3.832) 4.027 16.216 ( 0.755 0.000 0.755) 1.068 16.833 ( 0.487 0.000 0.651) 0.813 16.935 ( -0.029 0.000 1.838) 1.838 17.018 ( 3.401 0.000 -3.563) 4.926 17.153 ( -0.659 0.000 -1.401) 1.548 17.325 ( 1.811 0.000 0.663) 1.928 17.430 ( -0.761 0.000 -0.664) 1.010 17.445 ( -2.206 0.000 1.852) 2.880 17.476 ( -8.324 0.000 8.262) 11.729 18.488 ( -2.040 0.000 1.156) 2.344 18.504 ( 0.562 0.000 -3.365) 3.412 18.698 ( -1.248 0.000 -2.509) 2.802 18.722 ( 4.802 0.000 -5.887) 7.597 18.921 ( 6.044 0.000 0.177) 6.046 18.922 ( 2.870 0.000 -1.024) 3.048 19.039 ( -5.278 0.000 1.671) 5.536 19.048 ( -0.275 0.000 2.257) 2.274 27.687 ( -0.066 0.000 0.462) 0.466 27.760 ( -1.505 0.000 0.886) 1.747 27.851 ( 0.043 0.000 -1.158) 1.159 27.920 ( -0.668 0.000 2.366) 2.459 27.929 ( -0.544 0.000 -0.982) 1.122 27.967 ( 0.852 0.000 -1.811) 2.001 28.008 ( 0.420 0.000 -0.296) 0.514 28.046 ( -0.583 0.000 0.769) 0.965 28.811 ( -0.382 0.000 1.915) 1.953 28.938 ( 0.139 0.000 0.010) 0.139 29.260 ( -6.034 0.000 11.674) 13.142 29.336 ( -3.246 0.000 0.054) 3.246 29.451 ( -0.355 0.000 -1.771) 1.806 29.580 ( 0.109 0.000 2.405) 2.408 29.601 ( -0.854 0.000 -0.314) 0.910 29.655 ( 2.308 0.000 0.350) 2.334 29.889 ( 2.256 0.000 8.690) 8.978 30.272 ( -1.337 0.000 -0.318) 1.374 30.288 ( -7.076 0.000 -2.141) 7.393 30.361 ( -0.910 0.000 4.979) 5.062 30.546 ( 2.333 0.000 0.539) 2.394 30.645 ( 10.182 0.000 2.388) 10.458 30.840 ( -8.378 0.000 -7.505) 11.248 31.094 ( -6.899 0.000 -1.312) 7.023 31.509 ( 11.220 0.000 -1.991) 11.395 31.594 ( -13.896 0.000 -4.364) 14.566 31.955 ( -11.204 0.000 8.358) 13.978 32.107 ( -1.031 0.000 -0.564) 1.175 32.166 ( 2.677 0.000 4.113) 4.908 32.474 ( 12.624 0.000 -4.656) 13.455 32.585 ( 4.111 0.000 -1.638) 4.425 33.203 ( 9.305 0.000 -13.833) 16.672 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 22.718 0.000 4.909) 23.242 1.192 ( 18.575 0.000 13.871) 23.182 1.502 ( -7.917 0.000 14.718) 16.713 1.793 ( 5.918 0.000 0.685) 5.958 1.815 ( 19.591 0.000 7.998) 21.160 2.054 ( -12.952 0.000 4.777) 13.805 2.179 ( -14.906 0.000 2.431) 15.103 2.226 ( 0.678 0.000 -4.676) 4.725 2.316 ( 4.326 0.000 0.591) 4.366 2.334 ( 12.805 0.000 -1.445) 12.886 2.362 ( 2.202 0.000 -7.313) 7.637 2.510 ( 12.778 0.000 -1.093) 12.825 2.530 ( 1.713 0.000 -2.449) 2.989 2.638 ( -15.099 0.000 4.560) 15.772 2.656 ( -0.933 0.000 -2.511) 2.678 2.746 ( -1.421 0.000 -1.510) 2.073 2.785 ( -8.177 0.000 -3.567) 8.921 2.791 ( -6.638 0.000 0.742) 6.679 2.996 ( 4.656 0.000 0.322) 4.667 3.111 ( 1.307 0.000 -4.357) 4.548 3.126 ( 2.224 0.000 -0.559) 2.294 3.172 ( 5.976 0.000 -10.082) 11.720 3.281 ( 10.321 0.000 -12.459) 16.179 3.420 ( -6.123 0.000 0.107) 6.124 3.439 ( -0.045 0.000 11.444) 11.445 3.486 ( -5.423 0.000 6.130) 8.184 3.625 ( 2.129 0.000 -1.405) 2.551 3.638 ( -1.790 0.000 8.434) 8.622 3.787 ( -9.361 0.000 -1.847) 9.542 3.793 ( -11.113 0.000 4.957) 12.168 3.854 ( 1.013 0.000 2.244) 2.462 3.871 ( -1.011 0.000 1.083) 1.482 4.027 ( 1.596 0.000 -4.092) 4.392 4.174 ( -4.943 0.000 0.850) 5.016 4.248 ( 0.472 0.000 -3.639) 3.670 4.276 ( -4.755 0.000 5.228) 7.067 4.364 ( 1.522 0.000 12.633) 12.724 4.410 ( -4.901 0.000 0.213) 4.906 4.480 ( 0.147 0.000 6.913) 6.914 4.509 ( 0.918 0.000 -0.537) 1.063 4.631 ( 3.989 0.000 3.387) 5.233 4.701 ( 1.192 0.000 0.943) 1.520 4.723 ( -10.156 0.000 11.307) 15.198 4.842 ( -9.316 0.000 1.079) 9.378 4.962 ( 9.507 0.000 -13.111) 16.195 5.097 ( 3.697 0.000 -0.903) 3.806 5.121 ( 3.687 0.000 7.752) 8.584 5.255 ( -7.220 0.000 -4.342) 8.425 5.416 ( -1.471 0.000 -0.974) 1.764 5.423 ( 4.643 0.000 -2.546) 5.295 5.641 ( 0.982 0.000 3.380) 3.519 5.668 ( 2.192 0.000 -6.367) 6.734 5.767 ( -2.319 0.000 -0.182) 2.326 5.800 ( 0.449 0.000 -3.997) 4.022 6.132 ( 0.470 0.000 -2.372) 2.418 6.158 ( -0.048 0.000 2.086) 2.086 6.552 ( 5.449 0.000 -5.421) 7.686 6.582 ( 2.704 0.000 -1.136) 2.933 6.629 ( 0.108 0.000 -1.245) 1.250 6.794 ( -2.175 0.000 1.121) 2.447 7.091 ( -1.899 0.000 0.652) 2.008 7.126 ( 6.846 0.000 -4.712) 8.311 7.304 ( -4.637 0.000 5.914) 7.515 7.827 ( 0.840 0.000 0.390) 0.926 7.925 ( 6.497 0.000 -7.760) 10.121 7.973 ( -1.508 0.000 3.772) 4.062 8.163 ( -0.456 0.000 -2.963) 2.998 8.422 ( -0.398 0.000 -12.494) 12.500 8.601 ( -0.548 0.000 0.699) 0.888 8.729 ( -1.630 0.000 1.228) 2.041 8.826 ( -0.652 0.000 2.280) 2.372 8.928 ( -1.832 0.000 0.209) 1.844 9.513 ( 0.457 0.000 0.834) 0.951 9.576 ( -0.178 0.000 4.295) 4.298 9.611 ( 1.444 0.000 -2.339) 2.749 9.693 ( 1.026 0.000 -0.409) 1.105 10.675 ( 0.174 0.000 0.340) 0.382 10.732 ( 0.298 0.000 -0.084) 0.310 10.917 ( -3.076 0.000 1.161) 3.288 10.972 ( 0.057 0.000 0.784) 0.786 11.098 ( -0.578 0.000 -0.660) 0.878 11.106 ( 0.543 0.000 -1.573) 1.664 11.176 ( 1.318 0.000 2.059) 2.445 11.340 ( 3.703 0.000 -1.577) 4.025 11.617 ( 0.261 0.000 1.709) 1.729 11.663 ( -1.171 0.000 1.688) 2.054 11.819 ( 0.279 0.000 -1.463) 1.490 11.937 ( -0.304 0.000 -2.231) 2.252 12.710 ( -0.450 0.000 1.956) 2.007 12.750 ( -0.572 0.000 3.530) 3.576 13.033 ( -0.239 0.000 -4.347) 4.354 13.232 ( -0.504 0.000 -3.684) 3.718 14.306 ( -0.114 0.000 1.531) 1.535 14.315 ( 0.557 0.000 0.215) 0.597 14.588 ( -1.009 0.000 -1.963) 2.207 14.723 ( -2.262 0.000 -1.415) 2.668 14.905 ( 1.891 0.000 -0.650) 2.000 14.990 ( 3.144 0.000 0.021) 3.144 14.990 ( 1.372 0.000 0.299) 1.404 15.035 ( -0.674 0.000 -0.353) 0.761 15.516 ( 0.143 0.000 -2.075) 2.080 15.603 ( -1.116 0.000 -2.351) 2.603 15.731 ( 0.141 0.000 2.942) 2.946 15.799 ( 0.912 0.000 -0.400) 0.996 15.889 ( 0.636 0.000 1.455) 1.588 16.043 ( 0.454 0.000 -0.480) 0.660 16.189 ( 0.661 0.000 4.543) 4.591 16.234 ( 0.776 0.000 0.833) 1.139 16.846 ( 0.639 0.000 0.862) 1.073 16.940 ( 0.307 0.000 2.392) 2.412 17.046 ( 0.007 0.000 -1.494) 1.494 17.143 ( -0.197 0.000 -0.609) 0.641 17.366 ( 2.202 0.000 0.146) 2.206 17.376 ( -2.740 0.000 4.948) 5.656 17.400 ( -2.206 0.000 0.709) 2.317 17.422 ( -0.360 0.000 -1.536) 1.578 18.432 ( -3.023 0.000 1.162) 3.239 18.522 ( 1.646 0.000 -4.245) 4.553 18.685 ( 0.123 0.000 -0.931) 0.940 18.746 ( -0.151 0.000 -1.023) 1.034 18.944 ( -4.052 0.000 0.312) 4.064 18.973 ( 1.680 0.000 -1.948) 2.572 19.016 ( 2.843 0.000 1.832) 3.382 19.041 ( -0.326 0.000 2.420) 2.441 27.688 ( 0.111 0.000 0.579) 0.589 27.737 ( -0.859 0.000 1.226) 1.497 27.849 ( -0.171 0.000 -1.090) 1.103 27.912 ( -0.299 0.000 2.247) 2.267 27.921 ( -0.230 0.000 -0.957) 0.984 27.974 ( 0.021 0.000 -2.302) 2.302 28.015 ( 0.319 0.000 -0.307) 0.443 28.042 ( 0.183 0.000 0.942) 0.960 28.811 ( 0.070 0.000 1.598) 1.599 28.944 ( 0.459 0.000 -0.153) 0.484 29.247 ( 0.904 0.000 2.865) 3.004 29.272 ( -2.781 0.000 0.545) 2.834 29.439 ( -0.199 0.000 -1.262) 1.277 29.562 ( -1.558 0.000 0.314) 1.589 29.594 ( 0.040 0.000 0.981) 0.982 29.703 ( 1.611 0.000 1.845) 2.449 29.962 ( 4.280 0.000 8.348) 9.381 30.174 ( -3.516 0.000 -0.818) 3.610 30.259 ( -0.320 0.000 -0.170) 0.363 30.345 ( -1.038 0.000 4.580) 4.696 30.577 ( 0.268 0.000 0.494) 0.562 30.699 ( -3.622 0.000 -5.241) 6.371 30.864 ( 9.750 0.000 1.462) 9.859 30.953 ( -6.091 0.000 -1.065) 6.184 31.317 ( -11.067 0.000 -6.185) 12.678 31.701 ( 6.811 0.000 -6.752) 9.590 31.792 ( -6.954 0.000 7.379) 10.139 32.052 ( -1.986 0.000 -3.542) 4.060 32.240 ( 2.222 0.000 6.980) 7.325 32.685 ( 4.941 0.000 -0.070) 4.941 32.720 ( 11.523 0.000 -7.398) 13.694 33.219 ( -3.930 0.000 -4.727) 6.147 ======================= Grid point 38 (16/60) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -14.149 0.000 9.088) 16.816 1.500 ( 14.365 0.000 -3.559) 14.799 1.607 ( 10.286 0.000 22.674) 24.898 1.710 ( -18.403 0.000 5.548) 19.221 1.892 ( -2.047 0.000 4.252) 4.719 1.996 ( 3.697 0.000 -1.852) 4.135 2.071 ( 2.222 0.000 4.671) 5.172 2.188 ( 2.793 0.000 -7.964) 8.439 2.293 ( -9.541 0.000 8.168) 12.560 2.383 ( 1.997 0.000 -5.585) 5.932 2.457 ( 2.618 0.000 -11.427) 11.723 2.508 ( -3.938 0.000 -5.122) 6.461 2.512 ( -0.109 0.000 -1.584) 1.588 2.589 ( 2.792 0.000 -6.427) 7.007 2.702 ( 3.389 0.000 1.953) 3.911 2.732 ( -3.104 0.000 -0.519) 3.147 2.799 ( 0.871 0.000 -1.673) 1.886 2.807 ( 5.845 0.000 -4.876) 7.612 3.050 ( 0.277 0.000 -1.709) 1.731 3.134 ( -1.618 0.000 -1.218) 2.025 3.152 ( 4.242 0.000 -0.551) 4.277 3.272 ( 4.757 0.000 -8.759) 9.968 3.286 ( -14.984 0.000 5.390) 15.924 3.316 ( -3.159 0.000 1.331) 3.428 3.430 ( -4.359 0.000 1.680) 4.671 3.553 ( 4.229 0.000 0.238) 4.236 3.603 ( -5.548 0.000 -2.814) 6.221 3.609 ( 14.803 0.000 0.727) 14.820 3.690 ( -0.337 0.000 11.308) 11.313 3.734 ( 6.370 0.000 2.086) 6.703 3.860 ( -5.815 0.000 4.484) 7.343 3.861 ( 3.660 0.000 0.325) 3.674 3.932 ( -7.069 0.000 8.914) 11.377 4.104 ( 3.916 0.000 -3.145) 5.023 4.202 ( -3.488 0.000 -0.665) 3.550 4.210 ( -1.619 0.000 5.676) 5.902 4.353 ( -0.683 0.000 2.876) 2.956 4.411 ( -2.222 0.000 5.319) 5.765 4.487 ( -1.658 0.000 -3.725) 4.078 4.516 ( -0.614 0.000 7.952) 7.976 4.535 ( -2.881 0.000 4.947) 5.725 4.667 ( -1.881 0.000 1.238) 2.251 4.744 ( 2.267 0.000 3.049) 3.800 4.783 ( 0.779 0.000 3.044) 3.142 5.085 ( 2.696 0.000 -7.118) 7.611 5.122 ( -4.667 0.000 -0.124) 4.669 5.147 ( 1.452 0.000 -3.011) 3.343 5.249 ( 6.957 0.000 5.616) 8.941 5.403 ( 0.548 0.000 -0.644) 0.845 5.520 ( 4.109 0.000 -2.174) 4.648 5.640 ( -1.491 0.000 3.809) 4.091 5.701 ( 0.858 0.000 -7.374) 7.424 5.727 ( -1.597 0.000 -0.450) 1.659 5.816 ( 2.086 0.000 -4.918) 5.342 6.128 ( -0.905 0.000 -3.259) 3.382 6.135 ( -2.171 0.000 1.175) 2.469 6.591 ( -0.679 0.000 -2.207) 2.309 6.626 ( -0.167 0.000 -1.656) 1.665 6.680 ( 4.956 0.000 -3.378) 5.998 6.751 ( -1.479 0.000 0.380) 1.527 7.059 ( -0.589 0.000 -0.805) 0.997 7.214 ( -4.433 0.000 7.893) 9.052 7.216 ( 1.817 0.000 -3.623) 4.053 7.847 ( 1.502 0.000 0.462) 1.572 7.940 ( -2.019 0.000 3.591) 4.120 7.983 ( -0.755 0.000 -10.037) 10.065 8.159 ( 0.354 0.000 -2.743) 2.766 8.355 ( -4.056 0.000 -5.611) 6.923 8.597 ( 0.063 0.000 0.710) 0.713 8.732 ( 1.740 0.000 -0.634) 1.852 8.828 ( 0.743 0.000 1.875) 2.017 8.911 ( 0.260 0.000 0.173) 0.312 9.507 ( -0.982 0.000 0.028) 0.982 9.562 ( -1.432 0.000 2.856) 3.195 9.626 ( 0.176 0.000 -2.443) 2.449 9.746 ( 3.689 0.000 0.696) 3.754 10.681 ( 0.374 0.000 0.556) 0.670 10.737 ( 0.066 0.000 -0.175) 0.187 10.881 ( -0.365 0.000 1.360) 1.408 10.972 ( -0.170 0.000 0.400) 0.435 11.092 ( 0.095 0.000 -0.454) 0.464 11.108 ( -0.130 0.000 -2.074) 2.078 11.192 ( -0.082 0.000 2.385) 2.386 11.390 ( 0.630 0.000 -1.644) 1.761 11.621 ( -0.058 0.000 1.641) 1.642 11.652 ( 0.465 0.000 2.074) 2.125 11.819 ( -0.096 0.000 -1.594) 1.597 11.927 ( -0.352 0.000 -2.654) 2.677 12.709 ( 0.176 0.000 1.897) 1.905 12.745 ( -0.101 0.000 3.601) 3.602 13.032 ( 0.391 0.000 -4.587) 4.604 13.221 ( -0.277 0.000 -3.492) 3.503 14.301 ( -0.485 0.000 1.136) 1.235 14.321 ( -0.048 0.000 0.353) 0.357 14.581 ( 0.650 0.000 -1.563) 1.692 14.692 ( -0.617 0.000 -2.018) 2.110 14.927 ( 0.165 0.000 -0.194) 0.255 15.005 ( 0.052 0.000 0.110) 0.122 15.017 ( -1.018 0.000 -0.536) 1.150 15.037 ( 1.206 0.000 0.634) 1.363 15.533 ( 1.661 0.000 -1.382) 2.161 15.585 ( -0.250 0.000 -3.389) 3.398 15.731 ( -0.368 0.000 3.520) 3.539 15.796 ( -0.870 0.000 -1.332) 1.590 15.911 ( 1.191 0.000 2.555) 2.819 16.048 ( 0.002 0.000 -0.626) 0.626 16.195 ( -0.450 0.000 4.481) 4.504 16.244 ( 0.069 0.000 0.982) 0.985 16.855 ( 0.128 0.000 1.217) 1.224 16.948 ( 0.214 0.000 2.662) 2.671 17.030 ( -1.280 0.000 -1.220) 1.769 17.144 ( 0.312 0.000 -0.065) 0.318 17.337 ( -1.622 0.000 2.216) 2.747 17.358 ( -1.865 0.000 -0.678) 1.984 17.413 ( 2.281 0.000 1.081) 2.524 17.422 ( 0.397 0.000 -1.348) 1.405 18.390 ( -0.853 0.000 0.342) 0.919 18.556 ( 1.728 0.000 -4.264) 4.601 18.694 ( 0.568 0.000 0.525) 0.773 18.738 ( -0.440 0.000 0.085) 0.448 18.869 ( -3.430 0.000 -0.626) 3.487 18.977 ( -0.589 0.000 -1.781) 1.876 19.044 ( 0.081 0.000 1.448) 1.450 19.060 ( 1.645 0.000 2.975) 3.400 27.691 ( 0.138 0.000 0.796) 0.808 27.725 ( -0.461 0.000 0.937) 1.044 27.845 ( -0.126 0.000 -0.997) 1.005 27.913 ( 0.181 0.000 2.208) 2.216 27.919 ( 0.083 0.000 -0.910) 0.913 27.967 ( -0.477 0.000 -2.353) 2.400 28.018 ( -0.028 0.000 -0.395) 0.396 28.052 ( 0.617 0.000 0.959) 1.140 28.814 ( 0.095 0.000 1.748) 1.751 28.951 ( 0.077 0.000 -0.238) 0.250 29.244 ( 0.218 0.000 0.960) 0.984 29.269 ( 1.305 0.000 0.879) 1.574 29.455 ( 1.819 0.000 0.147) 1.825 29.533 ( -0.998 0.000 -0.364) 1.062 29.598 ( 0.160 0.000 2.605) 2.610 29.711 ( -0.720 0.000 0.555) 0.909 30.070 ( 5.554 0.000 10.868) 12.205 30.150 ( 0.830 0.000 0.631) 1.043 30.252 ( -0.618 0.000 0.945) 1.129 30.326 ( -1.062 0.000 2.873) 3.063 30.538 ( -2.561 0.000 -3.248) 4.136 30.728 ( 5.313 0.000 1.030) 5.412 30.886 ( 0.001 0.000 -0.900) 0.900 30.948 ( -1.829 0.000 0.450) 1.883 31.238 ( 3.998 0.000 -7.323) 8.343 31.677 ( -4.647 0.000 6.682) 8.138 31.731 ( -2.851 0.000 -11.889) 12.226 32.038 ( 0.063 0.000 -2.562) 2.563 32.263 ( -0.115 0.000 6.956) 6.957 32.755 ( 1.506 0.000 1.986) 2.493 32.905 ( 7.218 0.000 -10.150) 12.455 33.085 ( -8.755 0.000 -1.820) 8.942 ======================= Grid point 39 (17/60) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -17.617 0.000 10.608) 20.564 1.277 ( -22.521 0.000 12.811) 25.910 1.609 ( -1.858 0.000 -10.222) 10.389 1.728 ( 0.094 0.000 22.957) 22.957 1.926 ( 6.986 0.000 -2.480) 7.414 1.959 ( -12.060 0.000 11.696) 16.800 2.165 ( 0.639 0.000 3.532) 3.589 2.214 ( -8.022 0.000 -0.298) 8.027 2.276 ( 12.847 0.000 -1.445) 12.928 2.373 ( -7.094 0.000 -4.466) 8.383 2.431 ( 0.731 0.000 -3.624) 3.697 2.478 ( -15.738 0.000 -2.940) 16.010 2.490 ( -5.942 0.000 -3.474) 6.883 2.558 ( 6.245 0.000 -10.412) 12.142 2.667 ( 2.465 0.000 -2.837) 3.758 2.711 ( -2.197 0.000 0.069) 2.198 2.716 ( 5.912 0.000 -0.308) 5.920 2.935 ( 4.853 0.000 -2.118) 5.295 2.951 ( -3.512 0.000 -1.787) 3.941 3.068 ( -3.942 0.000 2.785) 4.827 3.111 ( 4.949 0.000 -1.941) 5.316 3.245 ( -2.899 0.000 5.206) 5.959 3.273 ( 4.293 0.000 2.186) 4.817 3.426 ( 2.005 0.000 -2.673) 3.341 3.510 ( -0.804 0.000 -0.399) 0.897 3.521 ( 12.723 0.000 0.023) 12.723 3.610 ( -5.380 0.000 -0.949) 5.463 3.625 ( 0.404 0.000 -1.056) 1.131 3.793 ( 2.451 0.000 11.656) 11.911 3.818 ( 4.378 0.000 1.704) 4.698 3.885 ( -3.013 0.000 5.890) 6.616 3.957 ( -1.110 0.000 -0.166) 1.123 3.970 ( 12.236 0.000 -3.597) 12.754 4.140 ( 4.080 0.000 -3.591) 5.435 4.191 ( -1.045 0.000 4.616) 4.733 4.216 ( 2.694 0.000 -2.751) 3.851 4.280 ( -7.080 0.000 4.213) 8.238 4.386 ( 3.501 0.000 4.550) 5.740 4.455 ( -0.396 0.000 -6.519) 6.531 4.486 ( 0.766 0.000 6.203) 6.251 4.594 ( -4.709 0.000 1.955) 5.099 4.623 ( 4.765 0.000 7.018) 8.483 4.748 ( -1.874 0.000 3.517) 3.985 4.870 ( 9.246 0.000 -0.356) 9.252 5.059 ( -4.360 0.000 -0.934) 4.459 5.067 ( -0.867 0.000 4.675) 4.755 5.156 ( -0.851 0.000 -4.244) 4.329 5.388 ( 5.476 0.000 3.141) 6.313 5.419 ( 0.467 0.000 -0.572) 0.738 5.551 ( -1.227 0.000 -1.362) 1.833 5.606 ( -1.178 0.000 6.522) 6.628 5.686 ( -1.388 0.000 -5.609) 5.778 5.698 ( -0.871 0.000 -3.358) 3.469 5.863 ( 1.987 0.000 -3.365) 3.908 6.089 ( -2.553 0.000 -3.544) 4.368 6.093 ( -1.514 0.000 1.476) 2.114 6.547 ( -2.698 0.000 -3.120) 4.125 6.623 ( 0.098 0.000 -2.092) 2.095 6.697 ( -3.541 0.000 0.218) 3.547 6.747 ( 1.050 0.000 -1.376) 1.731 7.097 ( 3.991 0.000 -2.937) 4.956 7.164 ( -0.179 0.000 5.013) 5.017 7.188 ( -4.088 0.000 -2.064) 4.579 7.884 ( -7.461 0.000 -12.349) 14.428 7.885 ( 0.328 0.000 0.268) 0.424 7.907 ( 0.113 0.000 3.204) 3.206 8.161 ( -1.092 0.000 -3.461) 3.629 8.256 ( -5.431 0.000 -5.384) 7.647 8.604 ( 0.543 0.000 0.688) 0.877 8.774 ( 1.633 0.000 -2.391) 2.896 8.874 ( 3.923 0.000 3.553) 5.292 8.937 ( 2.067 0.000 0.437) 2.112 9.477 ( -1.766 0.000 -0.329) 1.796 9.534 ( -1.264 0.000 1.618) 2.053 9.614 ( -1.118 0.000 -1.351) 1.754 9.838 ( 5.503 0.000 3.160) 6.346 10.692 ( 0.687 0.000 0.870) 1.108 10.734 ( -0.249 0.000 -0.150) 0.291 10.905 ( 2.496 0.000 0.889) 2.650 10.965 ( -0.450 0.000 0.331) 0.558 11.101 ( -0.310 0.000 -1.998) 2.022 11.102 ( 0.794 0.000 -0.327) 0.859 11.176 ( -1.555 0.000 2.061) 2.582 11.353 ( -3.658 0.000 -1.048) 3.805 11.617 ( -0.431 0.000 1.750) 1.802 11.699 ( 3.930 0.000 2.716) 4.777 11.814 ( -0.261 0.000 -1.707) 1.727 11.921 ( 0.001 0.000 -2.886) 2.886 12.717 ( 0.409 0.000 2.392) 2.427 12.752 ( 0.468 0.000 3.487) 3.518 13.039 ( 0.608 0.000 -4.551) 4.591 13.215 ( -0.087 0.000 -3.576) 3.577 14.291 ( -0.535 0.000 0.456) 0.703 14.315 ( -0.486 0.000 0.254) 0.548 14.613 ( 2.531 0.000 -0.937) 2.699 14.695 ( 1.036 0.000 -2.553) 2.755 14.911 ( -1.613 0.000 0.144) 1.620 14.990 ( -1.437 0.000 -2.635) 3.002 14.995 ( -1.254 0.000 0.522) 1.358 15.033 ( -1.589 0.000 1.479) 2.171 15.576 ( 2.598 0.000 -0.041) 2.598 15.590 ( 0.996 0.000 -3.647) 3.781 15.724 ( -0.546 0.000 3.410) 3.453 15.771 ( -1.354 0.000 -1.476) 2.003 15.938 ( 1.298 0.000 3.339) 3.582 16.043 ( -0.403 0.000 -0.872) 0.961 16.181 ( -1.102 0.000 4.038) 4.185 16.237 ( -0.765 0.000 1.137) 1.371 16.851 ( -0.592 0.000 1.324) 1.451 16.948 ( -0.618 0.000 1.192) 1.343 16.993 ( -2.244 0.000 -1.336) 2.612 17.155 ( 0.706 0.000 -0.039) 0.707 17.323 ( -1.580 0.000 -0.956) 1.846 17.324 ( 0.602 0.000 2.910) 2.972 17.430 ( 0.413 0.000 -1.007) 1.088 17.456 ( 1.728 0.000 2.242) 2.831 18.404 ( 2.134 0.000 -0.336) 2.160 18.570 ( -0.174 0.000 -2.350) 2.356 18.703 ( 0.308 0.000 0.321) 0.444 18.719 ( -2.322 0.000 -4.608) 5.160 18.817 ( -0.996 0.000 0.904) 1.345 18.964 ( -0.605 0.000 -1.490) 1.608 19.034 ( -1.025 0.000 1.086) 1.494 19.097 ( 1.981 0.000 3.289) 3.840 27.694 ( 0.006 0.000 0.910) 0.910 27.720 ( -0.067 0.000 0.892) 0.895 27.843 ( 0.017 0.000 -1.046) 1.046 27.922 ( 0.531 0.000 2.415) 2.472 27.924 ( 0.532 0.000 -0.972) 1.108 27.955 ( -0.435 0.000 -2.159) 2.202 28.013 ( -0.411 0.000 -0.542) 0.680 28.064 ( 0.391 0.000 0.916) 0.996 28.817 ( 0.037 0.000 1.943) 1.944 28.946 ( -0.444 0.000 -0.122) 0.460 29.284 ( 3.406 0.000 1.174) 3.603 29.310 ( 2.858 0.000 -0.681) 2.938 29.509 ( 3.543 0.000 2.772) 4.498 29.523 ( -0.171 0.000 -0.503) 0.531 29.607 ( 0.606 0.000 4.281) 4.324 29.685 ( -1.638 0.000 -0.594) 1.743 30.175 ( 0.386 0.000 14.779) 14.784 30.203 ( 4.449 0.000 0.774) 4.516 30.245 ( 3.486 0.000 0.932) 3.609 30.323 ( 0.885 0.000 1.575) 1.807 30.499 ( -1.012 0.000 -3.841) 3.972 30.881 ( 9.469 0.000 4.462) 10.468 30.891 ( -2.955 0.000 1.234) 3.202 30.941 ( 4.568 0.000 -1.914) 4.953 31.342 ( 5.095 0.000 -7.165) 8.792 31.602 ( -8.292 0.000 -11.663) 14.310 31.651 ( 2.521 0.000 6.053) 6.557 32.015 ( -2.149 0.000 -3.232) 3.881 32.258 ( -0.836 0.000 5.473) 5.536 32.741 ( -3.050 0.000 3.039) 4.305 32.858 ( -12.588 0.000 -0.591) 12.602 32.992 ( 0.738 0.000 -15.146) 15.164 ======================= Grid point 40 (18/60) ======================= q-point: (-0.17 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( -12.069 0.000 18.906) 22.430 0.841 ( -21.434 0.000 20.667) 29.775 1.389 ( -38.209 0.000 29.721) 48.407 1.558 ( -1.323 0.000 -8.659) 8.759 1.708 ( -4.742 0.000 16.503) 17.170 2.040 ( -1.580 0.000 5.075) 5.315 2.114 ( 10.154 0.000 -4.685) 11.182 2.141 ( -14.423 0.000 10.679) 17.946 2.204 ( 3.838 0.000 -1.995) 4.325 2.264 ( -3.128 0.000 -3.268) 4.524 2.352 ( 1.243 0.000 -3.223) 3.455 2.489 ( -1.559 0.000 -10.040) 10.161 2.561 ( 1.714 0.000 -9.105) 9.265 2.660 ( -1.569 0.000 3.666) 3.988 2.711 ( 2.954 0.000 -8.745) 9.230 2.740 ( 11.978 0.000 -3.627) 12.515 2.886 ( 8.746 0.000 1.549) 8.882 2.970 ( -0.275 0.000 -1.082) 1.116 3.016 ( -0.076 0.000 4.827) 4.828 3.093 ( 11.893 0.000 -2.391) 12.131 3.203 ( 3.660 0.000 -1.167) 3.842 3.243 ( 1.446 0.000 2.703) 3.065 3.342 ( -4.250 0.000 4.616) 6.274 3.360 ( -0.151 0.000 3.858) 3.861 3.521 ( -0.077 0.000 6.151) 6.151 3.568 ( 1.644 0.000 -9.742) 9.879 3.619 ( 1.603 0.000 -3.085) 3.477 3.715 ( 3.884 0.000 1.336) 4.107 3.790 ( -5.053 0.000 2.699) 5.729 3.855 ( -3.980 0.000 2.499) 4.700 3.885 ( 3.642 0.000 4.288) 5.626 3.925 ( 0.683 0.000 -0.616) 0.920 4.051 ( -2.907 0.000 0.736) 2.999 4.140 ( 0.844 0.000 6.794) 6.846 4.209 ( 2.924 0.000 -2.096) 3.597 4.234 ( -0.294 0.000 -10.591) 10.595 4.273 ( 2.605 0.000 2.298) 3.474 4.374 ( -2.836 0.000 -1.803) 3.360 4.482 ( -1.807 0.000 -3.522) 3.959 4.539 ( 3.691 0.000 5.362) 6.509 4.585 ( 4.505 0.000 4.111) 6.098 4.707 ( 3.659 0.000 7.337) 8.199 4.712 ( -0.148 0.000 4.841) 4.843 4.930 ( -7.940 0.000 1.311) 8.047 5.074 ( -7.110 0.000 -0.550) 7.131 5.122 ( 9.809 0.000 9.401) 13.587 5.149 ( 13.549 0.000 -1.505) 13.632 5.418 ( -2.442 0.000 -0.976) 2.630 5.422 ( 0.435 0.000 -3.497) 3.524 5.499 ( -2.081 0.000 -1.331) 2.471 5.651 ( 5.573 0.000 10.831) 12.180 5.669 ( 0.251 0.000 -7.008) 7.013 5.686 ( 0.211 0.000 -2.104) 2.114 5.873 ( -0.559 0.000 -2.564) 2.624 6.034 ( -2.180 0.000 -2.153) 3.064 6.091 ( 0.969 0.000 3.649) 3.776 6.506 ( -0.906 0.000 -4.374) 4.467 6.582 ( -6.505 0.000 1.394) 6.652 6.624 ( 0.082 0.000 -2.402) 2.403 6.766 ( -0.798 0.000 -4.656) 4.724 7.071 ( -6.556 0.000 -0.850) 6.611 7.133 ( 0.385 0.000 1.421) 1.473 7.249 ( 6.354 0.000 -2.998) 7.025 7.655 ( -16.617 0.000 -17.334) 24.013 7.847 ( -2.360 0.000 1.713) 2.917 7.953 ( 2.266 0.000 1.555) 2.748 8.017 ( -10.458 0.000 -4.907) 11.552 8.202 ( -0.480 0.000 -1.458) 1.535 8.616 ( 0.516 0.000 0.564) 0.765 8.786 ( 0.134 0.000 -2.411) 2.414 8.962 ( 3.352 0.000 2.143) 3.978 8.980 ( 1.807 0.000 0.696) 1.936 9.450 ( -0.624 0.000 0.542) 0.827 9.521 ( 0.005 0.000 1.493) 1.493 9.588 ( -1.185 0.000 -0.715) 1.384 9.986 ( 8.997 0.000 3.355) 9.602 10.712 ( 1.211 0.000 0.794) 1.448 10.730 ( -0.106 0.000 -0.175) 0.205 10.959 ( -0.061 0.000 0.797) 0.800 10.969 ( 3.479 0.000 0.150) 3.482 11.095 ( -0.303 0.000 -1.221) 1.258 11.114 ( 0.347 0.000 -0.585) 0.680 11.138 ( -2.199 0.000 1.479) 2.650 11.273 ( -3.569 0.000 -0.693) 3.635 11.609 ( -0.386 0.000 1.908) 1.947 11.801 ( 3.582 0.000 0.509) 3.618 11.809 ( 1.965 0.000 0.698) 2.086 11.923 ( 0.372 0.000 -2.787) 2.811 12.727 ( 0.255 0.000 2.863) 2.874 12.766 ( 0.412 0.000 3.495) 3.520 13.048 ( 0.888 0.000 -3.825) 3.927 13.206 ( -0.597 0.000 -3.527) 3.578 14.283 ( -0.224 0.000 -0.108) 0.249 14.305 ( -0.391 0.000 0.017) 0.391 14.672 ( 2.887 0.000 -0.920) 3.030 14.726 ( 2.214 0.000 -3.043) 3.763 14.873 ( -1.852 0.000 0.321) 1.880 14.944 ( -2.968 0.000 -4.044) 5.016 14.966 ( -1.401 0.000 0.466) 1.477 14.984 ( -3.172 0.000 1.895) 3.695 15.612 ( 1.204 0.000 -2.879) 3.121 15.627 ( 2.048 0.000 -0.055) 2.049 15.718 ( -0.302 0.000 2.744) 2.761 15.743 ( -1.178 0.000 -0.711) 1.376 15.969 ( 1.289 0.000 1.867) 2.268 16.034 ( -0.366 0.000 -0.930) 0.999 16.163 ( -1.036 0.000 3.403) 3.557 16.220 ( -0.938 0.000 1.044) 1.403 16.838 ( -0.728 0.000 1.046) 1.275 16.903 ( -3.550 0.000 -2.979) 4.634 16.957 ( -1.133 0.000 2.347) 2.606 17.168 ( 0.502 0.000 -0.731) 0.887 17.297 ( -0.815 0.000 -0.306) 0.870 17.396 ( 7.183 0.000 6.634) 9.778 17.438 ( 0.920 0.000 0.162) 0.934 17.481 ( 0.495 0.000 3.163) 3.202 18.460 ( 2.896 0.000 -0.243) 2.907 18.551 ( -1.320 0.000 -0.712) 1.499 18.607 ( -8.626 0.000 -8.004) 11.768 18.711 ( 0.630 0.000 -1.783) 1.891 18.828 ( 1.110 0.000 1.233) 1.659 18.934 ( -2.461 0.000 0.130) 2.464 19.026 ( 0.449 0.000 0.681) 0.816 19.143 ( 2.046 0.000 2.172) 2.984 27.693 ( -0.155 0.000 0.782) 0.798 27.727 ( 0.936 0.000 1.218) 1.536 27.844 ( 0.221 0.000 -1.089) 1.111 27.933 ( 0.219 0.000 2.710) 2.719 27.937 ( 0.644 0.000 -0.608) 0.885 27.948 ( 0.028 0.000 -2.437) 2.437 28.004 ( -0.369 0.000 -0.720) 0.809 28.067 ( -0.172 0.000 0.872) 0.889 28.819 ( 0.011 0.000 2.173) 2.173 28.939 ( -0.201 0.000 0.002) 0.201 29.360 ( 3.340 0.000 1.124) 3.524 29.374 ( 3.265 0.000 -2.411) 4.058 29.519 ( -0.060 0.000 0.507) 0.511 29.590 ( 3.002 0.000 0.140) 3.005 29.647 ( 3.899 0.000 10.406) 11.112 29.655 ( -1.159 0.000 -1.073) 1.579 30.110 ( -5.073 0.000 1.881) 5.411 30.327 ( 7.475 0.000 0.302) 7.481 30.333 ( 1.647 0.000 3.095) 3.506 30.425 ( 7.944 0.000 4.775) 9.269 30.480 ( -1.141 0.000 -3.630) 3.805 30.848 ( -2.552 0.000 4.216) 4.928 31.018 ( 2.423 0.000 -4.842) 5.414 31.094 ( 10.506 0.000 6.101) 12.149 31.404 ( -9.926 0.000 -9.204) 13.537 31.426 ( 7.151 0.000 -0.308) 7.158 31.824 ( 15.340 0.000 7.464) 17.060 31.976 ( -0.502 0.000 -1.331) 1.422 32.239 ( -1.287 0.000 2.690) 2.982 32.575 ( -14.721 0.000 0.344) 14.725 32.650 ( -5.614 0.000 2.178) 6.021 32.869 ( -14.392 0.000 -22.881) 27.031 ======================= Grid point 41 (19/60) ======================= q-point: ( 0.00 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -0.281 21.824 9.159) 23.670 0.842 ( 4.791 22.045 16.913) 28.196 1.427 ( -0.217 28.344 18.906) 34.072 1.620 ( -0.211 5.814 -2.228) 6.230 1.694 ( -3.557 3.771 9.902) 11.177 1.915 ( -4.190 1.746 12.468) 13.269 2.001 ( 2.706 -4.615 9.707) 11.083 2.245 ( 1.586 0.334 -3.472) 3.831 2.262 ( 4.572 -3.672 -0.490) 5.885 2.346 ( 2.766 0.654 -2.861) 4.033 2.382 ( 1.622 -0.064 -3.139) 3.534 2.468 ( 0.691 4.220 -7.299) 8.460 2.565 ( -4.039 -4.079 5.219) 7.758 2.589 ( 3.817 1.060 -5.531) 6.803 2.738 ( -4.618 -2.199 0.813) 5.179 2.787 ( 4.500 -8.490 -8.310) 12.704 2.856 ( -3.175 1.103 -5.621) 6.549 2.930 ( 4.826 -6.178 -0.823) 7.883 3.031 ( -0.664 1.262 1.743) 2.252 3.117 ( -3.769 -2.922 0.043) 4.769 3.211 ( -3.192 -2.250 1.468) 4.172 3.257 ( -3.623 -2.863 5.011) 6.815 3.312 ( -0.003 1.857 0.784) 2.016 3.404 ( -0.232 -0.571 3.979) 4.026 3.513 ( -1.833 3.471 1.073) 4.069 3.583 ( 0.390 -4.079 -1.325) 4.306 3.653 ( 1.887 -3.361 -1.793) 4.251 3.690 ( 1.991 0.476 4.682) 5.110 3.723 ( -1.005 -3.201 2.881) 4.422 3.881 ( 1.801 3.625 2.648) 4.837 3.916 ( -0.348 -0.227 5.398) 5.414 3.985 ( 0.751 4.674 2.717) 5.458 4.072 ( -2.789 4.857 -3.031) 6.368 4.140 ( 4.014 0.163 1.265) 4.212 4.259 ( -2.126 4.166 -8.055) 9.314 4.313 ( 2.911 0.702 2.308) 3.781 4.433 ( -1.084 6.856 -5.566) 8.897 4.469 ( -0.063 9.847 -5.818) 11.438 4.532 ( -1.175 3.283 -0.222) 3.494 4.592 ( 2.575 0.229 3.683) 4.499 4.632 ( 1.869 1.089 2.719) 3.474 4.732 ( 0.275 0.768 3.931) 4.015 4.777 ( -1.414 0.531 4.551) 4.795 4.845 ( -4.516 3.050 0.875) 5.519 4.937 ( -0.993 -1.713 1.840) 2.703 5.093 ( 0.709 -10.339 1.669) 10.497 5.232 ( 0.350 -10.647 -1.064) 10.706 5.336 ( 0.545 -2.252 -2.104) 3.130 5.344 ( -1.751 -6.679 -1.829) 7.143 5.511 ( 2.591 1.586 -4.959) 5.816 5.594 ( -5.554 -5.224 2.652) 8.073 5.704 ( -1.468 2.783 -7.706) 8.324 5.822 ( -1.022 -1.630 -3.185) 3.721 5.850 ( 8.974 -8.979 -3.913) 13.284 6.028 ( 1.011 0.832 5.615) 5.766 6.126 ( 0.238 -0.279 6.038) 6.049 6.492 ( -0.903 2.147 -2.782) 3.629 6.529 ( -3.572 2.445 0.243) 4.336 6.617 ( -0.349 0.076 -2.712) 2.736 6.673 ( 4.086 1.571 -4.940) 6.601 7.057 ( 1.168 4.429 1.295) 4.760 7.160 ( -0.796 1.556 -0.532) 1.827 7.285 ( 1.592 -2.932 -0.260) 3.347 7.359 ( 3.203 -1.061 -1.292) 3.613 7.894 ( -2.231 1.516 -0.900) 2.843 7.942 ( 1.624 2.985 -2.964) 4.510 8.039 ( 1.800 2.857 0.554) 3.422 8.168 ( -0.128 -1.573 -2.205) 2.711 8.697 ( 0.678 3.323 -1.844) 3.861 8.803 ( 0.589 1.468 -1.988) 2.540 8.901 ( -1.770 -3.528 0.392) 3.967 8.999 ( 0.239 -1.276 -0.096) 1.302 9.457 ( 1.084 0.019 1.623) 1.952 9.509 ( 1.045 -1.658 1.856) 2.699 9.605 ( -0.375 2.048 -0.114) 2.085 9.846 ( -6.078 -9.699 5.632) 12.756 10.720 ( -0.669 2.364 0.708) 2.557 10.749 ( -0.092 1.875 -0.232) 1.891 10.944 ( 0.383 -1.193 0.412) 1.319 10.997 ( 1.178 -3.781 -0.456) 3.987 11.013 ( 0.023 -4.041 -0.616) 4.088 11.043 ( -2.217 -2.632 -0.023) 3.441 11.251 ( -0.646 2.703 -1.093) 2.986 11.276 ( 1.997 3.077 -1.383) 3.920 11.658 ( 1.123 2.579 -0.926) 2.962 11.781 ( -1.588 -2.984 0.827) 3.480 11.815 ( -1.598 1.633 -3.460) 4.146 11.922 ( 0.899 -1.065 -2.403) 2.778 12.732 ( -0.485 0.188 2.753) 2.802 12.803 ( -0.529 0.234 1.085) 1.229 13.070 ( 0.130 0.742 -3.134) 3.224 13.189 ( 1.183 -1.585 -3.047) 3.633 14.289 ( 0.355 0.228 0.182) 0.459 14.305 ( 0.184 0.189 -0.084) 0.277 14.640 ( -0.746 0.090 -1.643) 1.807 14.764 ( 1.774 -1.659 -3.670) 4.401 14.860 ( -0.158 0.723 -0.930) 1.188 14.924 ( 2.025 -0.297 -1.295) 2.422 14.973 ( -2.642 1.911 1.110) 3.444 14.975 ( 0.047 1.174 1.156) 1.648 15.577 ( -1.001 -0.432 -0.212) 1.111 15.649 ( -1.109 -0.036 -2.893) 3.099 15.718 ( 1.336 0.034 0.902) 1.612 15.759 ( 0.299 0.880 -0.387) 1.007 15.932 ( -2.760 0.634 2.384) 3.702 16.026 ( -0.229 -0.914 0.307) 0.991 16.135 ( 0.896 0.016 1.684) 1.908 16.196 ( -0.060 -1.078 0.643) 1.257 16.833 ( -1.520 0.697 -0.699) 1.813 16.896 ( 2.869 -0.910 -0.404) 3.037 16.989 ( -0.449 3.707 1.814) 4.152 17.165 ( 0.475 -0.569 -0.950) 1.205 17.296 ( 0.795 0.061 1.044) 1.314 17.402 ( 0.771 -4.376 3.457) 5.630 17.478 ( -1.226 -0.189 3.153) 3.388 17.483 ( 1.970 -2.546 5.713) 6.557 18.453 ( 0.636 0.153 1.325) 1.477 18.498 ( 0.300 -0.792 1.178) 1.451 18.573 ( 0.090 3.488 -0.554) 3.533 18.827 ( 0.864 2.240 -7.011) 7.411 18.890 ( 1.994 2.012 0.103) 2.835 18.911 ( -0.824 1.600 0.554) 1.884 19.036 ( 0.227 0.172 0.217) 0.358 19.133 ( -2.264 -1.113 -0.039) 2.523 27.690 ( -0.160 0.217 0.459) 0.532 27.748 ( 0.397 0.547 0.359) 0.765 27.857 ( 0.583 -0.094 -1.600) 1.705 27.883 ( -0.408 -3.675 0.249) 3.706 27.917 ( -0.264 -1.545 -0.820) 1.768 27.951 ( 0.098 -0.355 0.867) 0.942 27.972 ( 0.432 -1.399 -0.805) 1.671 28.053 ( -0.589 -0.814 0.485) 1.116 28.910 ( -0.328 7.399 2.348) 7.769 29.104 ( 1.653 6.298 -3.366) 7.329 29.368 ( -0.698 -0.018 2.789) 2.875 29.484 ( 0.412 3.202 -1.932) 3.762 29.531 ( 2.701 -0.984 2.808) 4.018 29.624 ( 0.072 -0.536 -0.157) 0.563 29.651 ( -0.130 3.351 -0.611) 3.409 29.813 ( -0.179 7.004 4.247) 8.193 29.919 ( -19.102 1.796 -5.749) 20.029 30.247 ( -7.805 -7.133 5.306) 11.830 30.352 ( -1.189 -0.606 2.309) 2.667 30.423 ( -0.641 -0.469 -1.353) 1.569 30.532 ( 3.443 2.396 1.156) 4.351 30.661 ( -1.366 9.031 1.007) 9.189 30.907 ( 3.499 -7.317 4.822) 9.436 31.126 ( 2.962 -5.311 4.631) 7.644 31.212 ( -2.594 -1.620 -7.522) 8.120 31.618 ( 0.383 -10.375 -2.228) 10.618 32.074 ( 4.109 3.051 0.599) 5.153 32.148 ( -0.300 -1.681 1.929) 2.576 32.318 ( -0.218 -0.128 -1.721) 1.739 32.360 ( -10.218 -0.342 -3.104) 10.685 32.556 ( -1.311 0.204 -1.557) 2.046 32.617 ( 18.685 -0.045 -4.369) 19.189 ======================= Grid point 42 (20/60) ======================= q-point: ( 0.17 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 19.529 16.682 3.771) 25.959 1.043 ( 12.840 19.614 13.075) 26.843 1.572 ( 12.097 26.142 18.272) 34.112 1.663 ( 2.996 2.367 4.313) 5.760 1.807 ( 5.724 3.498 1.868) 6.963 1.891 ( 7.555 2.278 10.205) 12.900 2.091 ( 5.844 -7.209 7.785) 12.113 2.274 ( -1.382 -3.217 -1.500) 3.809 2.322 ( -0.178 0.996 -5.023) 5.124 2.360 ( -3.902 1.441 0.485) 4.188 2.366 ( 2.481 -0.033 0.481) 2.528 2.422 ( -0.205 1.075 -5.513) 5.621 2.500 ( -8.542 -0.784 5.822) 10.367 2.633 ( 1.809 -2.502 -2.234) 3.811 2.694 ( 3.121 1.832 -6.073) 7.070 2.808 ( -1.902 -4.747 -3.365) 6.122 2.849 ( -2.527 -5.364 -5.198) 7.885 2.941 ( -3.574 -2.739 -1.463) 4.734 2.990 ( -3.766 -1.500 2.732) 4.888 3.043 ( 3.365 0.762 -4.453) 5.633 3.116 ( -1.881 0.222 -1.317) 2.307 3.209 ( -1.438 -3.351 -2.215) 4.267 3.323 ( -7.650 4.998 3.932) 9.948 3.338 ( -3.998 2.045 3.732) 5.839 3.443 ( 1.120 -5.831 3.592) 6.940 3.584 ( -1.474 -0.602 -0.234) 1.609 3.609 ( -5.580 -4.004 -0.430) 6.881 3.705 ( -0.821 4.112 0.205) 4.198 3.780 ( 4.666 -2.046 0.212) 5.099 3.859 ( -2.305 -1.525 6.899) 7.432 3.904 ( -0.653 -0.594 8.765) 8.810 3.992 ( -4.316 4.111 -1.491) 6.144 4.107 ( 3.813 1.101 2.565) 4.725 4.174 ( -3.786 4.108 -9.295) 10.845 4.230 ( 3.868 3.089 -0.213) 4.955 4.344 ( -0.927 6.025 -3.652) 7.106 4.396 ( 1.723 2.314 1.717) 3.357 4.467 ( -0.535 2.954 1.660) 3.430 4.513 ( -2.587 1.348 4.092) 5.025 4.622 ( 1.278 1.976 2.382) 3.348 4.629 ( -4.640 4.429 2.883) 7.033 4.670 ( -1.495 -0.022 2.094) 2.573 4.714 ( -2.401 -2.166 5.266) 6.179 4.878 ( 4.196 -2.935 -1.889) 5.458 4.980 ( 0.519 0.833 1.313) 1.639 5.043 ( 0.135 0.586 -1.035) 1.197 5.213 ( -5.163 -4.891 2.346) 7.489 5.264 ( -6.714 -8.542 1.966) 11.041 5.330 ( -0.948 -5.492 -3.553) 6.610 5.456 ( 0.328 -2.547 -1.153) 2.815 5.485 ( -4.480 -0.087 -3.235) 5.526 5.685 ( 0.089 1.827 -5.242) 5.552 5.788 ( -1.790 -1.982 -2.454) 3.626 5.902 ( -2.403 -1.683 -2.485) 3.844 6.008 ( 0.840 -0.965 2.057) 2.423 6.169 ( 2.478 0.005 2.827) 3.760 6.511 ( 1.325 2.479 -2.242) 3.596 6.548 ( 3.400 0.836 -2.663) 4.399 6.639 ( 2.326 1.630 -1.568) 3.244 6.829 ( 6.692 1.388 -3.144) 7.523 7.015 ( -0.639 2.395 1.621) 2.962 7.147 ( -0.515 2.064 -0.108) 2.130 7.339 ( -1.175 -2.730 1.794) 3.471 7.585 ( 13.683 -10.099 -4.197) 17.517 7.885 ( 0.788 3.962 -2.034) 4.523 7.997 ( 1.246 0.560 0.919) 1.647 8.125 ( 6.484 -6.078 -3.501) 9.552 8.168 ( 1.755 -1.183 -4.612) 5.074 8.701 ( -0.081 2.505 -2.805) 3.762 8.806 ( -0.360 1.522 -2.294) 2.776 8.832 ( -4.854 -1.427 2.448) 5.620 8.969 ( -2.757 -0.913 0.479) 2.944 9.490 ( 1.758 0.029 1.424) 2.263 9.536 ( 1.299 -1.540 2.575) 3.269 9.610 ( 0.778 1.431 -0.019) 1.629 9.713 ( -4.785 -2.865 2.291) 6.029 10.710 ( -0.248 3.090 0.342) 3.119 10.749 ( 0.206 1.907 -0.240) 1.934 10.947 ( -0.071 -1.527 0.774) 1.714 10.973 ( -3.113 -2.627 1.236) 4.257 10.987 ( -1.337 -4.509 -1.071) 4.823 11.049 ( 1.725 -3.275 -0.875) 3.804 11.268 ( 2.025 3.560 -0.981) 4.212 11.316 ( 1.913 2.739 -0.729) 3.419 11.665 ( -0.623 2.749 -1.296) 3.102 11.704 ( -3.350 1.180 2.558) 4.377 11.808 ( 0.468 0.556 -1.973) 2.102 11.930 ( 0.104 -0.964 -2.180) 2.386 12.724 ( -0.521 0.243 2.318) 2.388 12.771 ( -1.944 0.183 2.725) 3.353 13.061 ( -0.489 1.233 -3.702) 3.933 13.210 ( 0.577 -2.455 -3.671) 4.454 14.296 ( 0.343 0.055 0.401) 0.531 14.316 ( 0.661 0.240 0.310) 0.768 14.624 ( -0.986 1.111 -2.167) 2.627 14.759 ( -1.844 -1.547 -1.800) 3.006 14.876 ( 1.631 0.896 -1.411) 2.336 14.939 ( 0.083 0.603 1.938) 2.031 14.970 ( 2.481 0.917 -0.722) 2.742 15.009 ( 1.899 -1.379 -0.592) 2.420 15.541 ( -1.758 0.792 -1.123) 2.231 15.622 ( -1.394 -0.494 -1.856) 2.374 15.750 ( 0.506 1.093 0.868) 1.484 15.764 ( 1.355 0.530 0.120) 1.460 15.905 ( -0.162 1.788 1.792) 2.537 16.029 ( 0.487 -0.814 0.260) 0.984 16.159 ( 1.069 -0.173 2.876) 3.073 16.204 ( 0.712 -1.025 0.642) 1.404 16.819 ( 0.109 -0.358 0.411) 0.556 16.950 ( 2.014 -4.133 -1.597) 4.867 16.991 ( 0.396 4.216 1.394) 4.458 17.180 ( 0.912 0.951 -1.038) 1.677 17.320 ( 1.357 -0.202 1.088) 1.751 17.402 ( -0.999 -2.847 3.120) 4.340 17.437 ( -2.683 0.130 2.165) 3.450 17.464 ( -2.835 -0.418 4.404) 5.254 18.471 ( -1.117 -1.090 0.833) 1.769 18.500 ( 0.617 -1.411 -1.776) 2.351 18.609 ( 2.919 0.309 0.811) 3.045 18.813 ( -1.525 3.149 -3.210) 4.748 18.921 ( 1.030 0.183 -0.491) 1.156 18.940 ( 2.147 -0.723 0.285) 2.283 19.027 ( -0.473 0.773 -0.805) 1.212 19.071 ( -2.746 0.119 1.309) 3.045 27.688 ( -0.027 0.246 0.362) 0.438 27.752 ( -0.106 0.449 0.417) 0.621 27.862 ( -0.096 0.820 -1.365) 1.595 27.875 ( -0.264 -4.345 0.303) 4.364 27.911 ( -0.282 -1.252 -0.559) 1.400 27.953 ( 0.066 -0.350 0.757) 0.836 27.981 ( 0.492 -1.905 -1.086) 2.247 28.038 ( -0.787 -0.850 0.486) 1.256 28.899 ( -0.765 7.122 2.210) 7.496 29.129 ( 0.503 5.669 -5.666) 8.031 29.300 ( -6.178 4.363 8.174) 11.136 29.428 ( -9.797 8.549 0.014) 13.003 29.500 ( -1.163 4.448 -1.238) 4.761 29.577 ( 0.814 -0.175 2.587) 2.717 29.638 ( 0.655 0.368 -1.343) 1.539 29.642 ( -0.976 2.111 0.624) 2.408 29.896 ( 2.356 0.722 7.168) 7.580 30.150 ( -3.541 -5.726 -0.477) 6.750 30.332 ( -1.726 0.950 1.372) 2.401 30.425 ( 0.533 0.764 0.064) 0.933 30.569 ( -1.168 5.785 1.433) 6.073 30.717 ( 6.417 5.420 1.021) 8.462 30.859 ( -4.227 1.744 -4.509) 6.422 31.052 ( -5.874 -3.275 0.246) 6.729 31.382 ( 10.290 -9.452 -1.597) 14.063 31.505 ( -8.385 -8.100 -3.970) 12.316 31.971 ( -10.367 1.381 5.064) 11.620 32.110 ( -1.353 -1.444 2.045) 2.846 32.191 ( -1.633 3.242 -0.510) 3.666 32.473 ( 10.369 -1.849 -2.027) 10.726 32.594 ( 5.676 2.194 -3.416) 6.979 33.036 ( 12.775 -11.415 -6.780) 18.424 ======================= Grid point 43 (21/60) ======================= q-point: ( 0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 16.284 11.772 7.423) 21.420 1.313 ( 9.835 11.026 11.031) 18.439 1.644 ( -4.357 10.299 10.132) 15.091 1.822 ( 3.537 3.736 -0.251) 5.151 1.883 ( 12.040 4.300 -1.458) 12.867 2.091 ( -4.298 3.030 1.834) 5.570 2.136 ( -7.372 -2.286 1.686) 7.900 2.210 ( 2.953 -3.069 4.848) 6.453 2.276 ( 0.553 2.359 2.673) 3.608 2.331 ( 0.414 -3.993 -3.915) 5.607 2.406 ( 2.977 -1.207 -6.049) 6.849 2.445 ( 1.308 -2.510 -4.481) 5.300 2.519 ( 9.592 -0.908 0.149) 9.636 2.620 ( -9.666 1.083 5.144) 11.003 2.685 ( -2.182 2.086 -1.936) 3.586 2.703 ( 3.716 1.216 0.445) 3.936 2.791 ( 0.398 0.337 -3.577) 3.614 2.926 ( -2.057 4.673 -0.953) 5.194 3.014 ( 2.569 -1.154 -3.673) 4.628 3.086 ( -1.230 0.148 -2.428) 2.725 3.138 ( -0.561 1.754 -5.367) 5.674 3.146 ( 4.263 2.047 -4.000) 6.194 3.237 ( 3.102 -6.049 -1.444) 6.949 3.334 ( 0.685 -5.245 6.871) 8.672 3.460 ( -5.807 -2.875 0.910) 6.544 3.489 ( 2.659 -2.803 1.064) 4.007 3.547 ( -3.146 2.089 1.807) 4.186 3.648 ( -3.272 2.731 -1.174) 4.420 3.799 ( -3.170 -1.227 5.809) 6.731 3.821 ( -4.314 4.093 5.061) 7.809 3.861 ( -7.378 3.584 -2.268) 8.510 3.943 ( 3.820 1.474 4.830) 6.332 4.043 ( -1.509 0.486 -0.217) 1.600 4.242 ( -5.492 4.666 0.181) 7.208 4.251 ( 4.896 -4.220 0.847) 6.519 4.315 ( -2.802 5.526 0.347) 6.206 4.357 ( -6.402 2.265 9.963) 12.057 4.429 ( -1.248 0.830 2.507) 2.921 4.497 ( -0.017 -0.009 4.003) 4.003 4.562 ( 0.298 4.094 1.165) 4.267 4.634 ( -3.229 -3.699 7.217) 8.729 4.656 ( 0.031 2.252 0.995) 2.462 4.715 ( 0.244 -0.830 2.030) 2.206 4.815 ( -7.374 -2.319 -1.402) 7.856 4.995 ( 0.858 -0.081 -0.956) 1.287 5.074 ( 4.098 2.343 -5.619) 7.339 5.152 ( 3.584 0.642 3.746) 5.224 5.208 ( -1.277 -6.063 -0.223) 6.200 5.354 ( 1.845 -7.701 -1.621) 8.084 5.376 ( -4.506 -2.036 -0.558) 4.976 5.526 ( 3.916 -2.885 -2.972) 5.700 5.692 ( 0.911 0.655 -3.730) 3.895 5.762 ( -0.346 -1.743 -3.231) 3.687 5.843 ( -2.672 1.441 -4.091) 5.094 6.035 ( 1.192 -4.300 -0.538) 4.494 6.203 ( 0.410 0.365 1.123) 1.250 6.559 ( 3.015 0.772 -3.574) 4.739 6.604 ( 2.876 1.448 -0.711) 3.298 6.689 ( 2.340 4.882 -1.893) 5.736 6.847 ( -2.708 4.488 1.230) 5.384 7.106 ( 6.857 -1.712 -3.367) 7.829 7.135 ( -0.616 3.924 0.491) 4.003 7.282 ( -4.122 -1.839 5.164) 6.859 7.766 ( 5.271 -8.960 -2.649) 10.728 7.895 ( -0.037 2.637 -2.094) 3.368 8.005 ( 0.296 1.316 1.378) 1.928 8.146 ( -0.213 -1.736 -2.707) 3.223 8.267 ( 3.262 -9.115 -5.899) 11.336 8.682 ( -2.174 3.840 -2.573) 5.109 8.735 ( -2.513 0.840 1.575) 3.083 8.804 ( -0.257 -1.680 0.945) 1.945 8.913 ( -2.313 -1.610 0.150) 2.822 9.515 ( 0.401 0.127 0.697) 0.814 9.555 ( 0.194 -1.323 2.759) 3.066 9.631 ( 1.305 1.332 -1.197) 2.216 9.687 ( 1.432 -0.495 -0.806) 1.716 10.709 ( 0.038 3.051 0.320) 3.068 10.758 ( 0.676 2.260 -0.284) 2.376 10.903 ( -3.133 -1.286 1.135) 3.572 10.954 ( 0.373 -2.558 0.857) 2.724 10.967 ( -0.801 -5.027 -0.493) 5.114 11.077 ( 1.109 -3.684 -1.113) 4.005 11.299 ( 0.638 5.740 0.190) 5.778 11.366 ( 3.219 1.834 -1.234) 3.905 11.643 ( -0.821 2.083 0.671) 2.337 11.668 ( -1.305 0.457 1.868) 2.324 11.814 ( 0.234 0.027 -1.707) 1.723 11.924 ( -0.488 -1.244 -2.294) 2.654 12.715 ( -0.419 0.437 1.988) 2.078 12.745 ( -0.849 -0.393 3.298) 3.428 13.051 ( -0.074 1.642 -4.275) 4.580 13.208 ( -0.227 -2.062 -3.539) 4.102 14.303 ( 0.203 0.154 0.638) 0.687 14.327 ( 0.394 0.482 0.579) 0.850 14.598 ( -1.075 1.047 -2.034) 2.528 14.713 ( -2.115 -1.057 -1.491) 2.796 14.907 ( 1.290 0.167 -0.438) 1.372 14.957 ( 0.789 -1.644 1.045) 2.102 15.010 ( 1.329 1.016 0.695) 1.811 15.046 ( 2.060 0.528 -1.474) 2.588 15.519 ( -0.263 0.408 -1.851) 1.914 15.592 ( -1.242 -0.947 -2.343) 2.816 15.747 ( -0.390 1.231 2.151) 2.509 15.796 ( 0.936 -0.289 -0.440) 1.074 15.914 ( 0.759 2.113 1.670) 2.798 16.041 ( 0.634 -0.452 0.127) 0.789 16.178 ( 0.472 -0.642 3.922) 4.002 16.221 ( 0.721 -1.142 0.766) 1.552 16.829 ( 0.622 -0.622 0.925) 1.276 16.974 ( 0.433 -4.354 -1.467) 4.615 17.004 ( 0.869 4.620 2.513) 5.331 17.188 ( -0.250 2.167 -0.544) 2.248 17.347 ( 0.939 -0.858 1.319) 1.832 17.372 ( -1.164 -0.737 2.633) 2.971 17.401 ( -1.750 -0.186 0.836) 1.948 17.416 ( -1.344 -0.409 0.067) 1.407 18.432 ( -2.362 0.075 0.879) 2.521 18.509 ( 0.861 -1.777 -3.808) 4.289 18.666 ( 2.461 -0.100 1.356) 2.812 18.778 ( -1.595 2.518 -0.238) 2.990 18.894 ( -2.729 -3.009 0.305) 4.074 18.986 ( 1.968 0.956 -1.512) 2.659 19.020 ( -1.476 -0.819 1.984) 2.605 19.053 ( 1.343 0.686 0.376) 1.554 27.690 ( 0.119 0.278 0.456) 0.547 27.747 ( -0.295 1.142 0.393) 1.243 27.853 ( -0.504 -0.193 -0.760) 0.932 27.876 ( 0.209 -3.217 0.162) 3.228 27.906 ( -0.205 -1.052 -0.342) 1.125 27.956 ( 0.125 -0.510 0.377) 0.647 27.984 ( -0.179 -2.482 -1.635) 2.977 28.029 ( 0.042 -1.096 0.827) 1.373 28.891 ( -0.154 6.574 1.974) 6.866 29.100 ( -1.889 9.770 -3.384) 10.511 29.237 ( -0.758 1.164 5.665) 5.833 29.326 ( -2.561 3.879 0.428) 4.668 29.491 ( -0.115 4.329 -1.813) 4.695 29.568 ( -1.659 0.370 1.173) 2.065 29.615 ( -0.138 1.949 0.211) 1.965 29.681 ( 1.678 -2.037 1.421) 2.998 29.963 ( 3.756 0.074 7.563) 8.445 30.097 ( -1.419 -4.349 0.819) 4.647 30.296 ( -1.779 0.955 1.461) 2.492 30.429 ( -0.211 5.003 0.059) 5.008 30.535 ( -1.852 -0.184 1.462) 2.367 30.722 ( -2.189 1.987 -4.197) 5.134 30.907 ( 0.140 -0.263 -1.626) 1.653 30.962 ( 1.507 3.777 2.199) 4.623 31.264 ( -7.355 -4.583 -6.570) 10.875 31.623 ( 8.045 -7.014 -5.733) 12.116 31.796 ( -7.757 0.751 6.305) 10.025 32.036 ( -4.040 -2.547 -3.163) 5.728 32.235 ( 2.917 1.249 5.582) 6.421 32.625 ( 5.211 -5.277 0.187) 7.418 32.761 ( 9.434 3.314 -6.515) 11.934 33.133 ( -0.692 -6.941 -3.907) 7.995 ======================= Grid point 44 (22/60) ======================= q-point: (-0.50 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -12.427 7.889 8.133) 16.817 1.560 ( 8.380 3.153 6.442) 11.030 1.630 ( -2.002 6.727 3.755) 7.960 1.832 ( -3.766 3.148 -1.081) 5.026 1.924 ( -2.804 4.658 3.064) 6.240 1.992 ( -0.219 2.200 1.895) 2.912 2.119 ( 1.791 1.501 3.714) 4.389 2.209 ( 2.315 1.530 -5.135) 5.837 2.290 ( -2.583 1.187 4.056) 4.953 2.336 ( 1.068 -4.926 -0.699) 5.089 2.401 ( -0.419 -5.946 -11.166) 12.657 2.496 ( 1.737 -3.419 -1.592) 4.153 2.547 ( 0.587 0.277 -0.012) 0.649 2.620 ( 2.526 1.640 -4.393) 5.326 2.669 ( 2.026 2.638 0.843) 3.432 2.748 ( -4.894 2.879 -2.613) 6.250 2.826 ( -2.463 6.515 -0.922) 7.025 2.866 ( 3.213 0.159 -2.778) 4.250 3.067 ( -1.404 -2.992 -2.084) 3.907 3.123 ( 6.338 3.283 -0.379) 7.148 3.158 ( -1.168 1.330 -2.140) 2.777 3.190 ( -2.421 -6.871 2.935) 7.854 3.307 ( 5.562 0.092 -4.386) 7.084 3.329 ( -2.064 -4.825 2.124) 5.661 3.410 ( -4.604 5.993 2.274) 7.892 3.516 ( 4.307 2.542 -4.480) 6.714 3.550 ( 1.115 -1.638 -0.421) 2.026 3.621 ( -5.050 -1.920 3.620) 6.503 3.717 ( 7.001 2.797 2.611) 7.978 3.760 ( 2.137 1.094 2.477) 3.450 3.832 ( 2.234 0.904 9.112) 9.426 3.947 ( -1.914 3.510 5.741) 6.996 3.998 ( -9.225 3.027 4.358) 10.642 4.143 ( 5.546 4.479 -0.376) 7.138 4.194 ( -6.558 -2.024 0.814) 6.911 4.281 ( -1.347 5.340 1.545) 5.720 4.350 ( -0.523 -0.682 3.164) 3.278 4.427 ( -4.210 1.611 2.423) 5.118 4.464 ( 1.401 -1.323 3.865) 4.319 4.559 ( 0.547 2.583 5.544) 6.141 4.582 ( -2.152 3.187 3.010) 4.883 4.632 ( 0.633 -3.679 1.681) 4.094 4.734 ( 0.510 -0.400 2.292) 2.382 4.779 ( 1.584 0.862 0.061) 1.804 5.025 ( 0.060 -2.351 -1.642) 2.868 5.134 ( 0.903 0.779 -3.272) 3.482 5.162 ( -0.308 0.743 0.362) 0.882 5.274 ( 5.566 -1.274 1.257) 5.847 5.302 ( -1.366 -7.262 2.063) 7.672 5.408 ( 2.164 -11.285 0.802) 11.519 5.576 ( 1.155 -1.167 -2.196) 2.742 5.716 ( 1.209 0.359 -3.191) 3.431 5.746 ( -1.683 0.656 -5.318) 5.616 5.815 ( 1.036 0.155 -6.397) 6.482 6.042 ( -0.589 -4.176 -1.267) 4.404 6.187 ( -1.777 0.286 0.239) 1.816 6.583 ( -0.261 0.996 -0.918) 1.379 6.679 ( 3.298 -0.023 -2.474) 4.122 6.710 ( -0.322 5.757 -2.431) 6.258 6.797 ( -1.338 3.867 0.603) 4.137 7.115 ( -0.796 4.220 0.113) 4.296 7.198 ( 1.191 -1.465 -2.788) 3.367 7.205 ( -3.386 -0.110 5.804) 6.720 7.811 ( -0.611 -8.488 -2.777) 8.952 7.889 ( 0.412 2.141 -0.438) 2.224 8.008 ( -0.532 0.957 -1.186) 1.614 8.143 ( 0.230 -1.489 -2.788) 3.169 8.271 ( -1.845 -6.542 -4.221) 8.001 8.641 ( -0.767 3.565 -0.069) 3.647 8.735 ( 1.497 0.288 -0.487) 1.600 8.807 ( 0.658 -1.742 1.420) 2.342 8.889 ( -0.007 -2.172 -0.124) 2.176 9.506 ( -1.129 -0.035 0.094) 1.134 9.545 ( -1.349 -1.211 1.784) 2.543 9.651 ( 0.493 1.806 -1.526) 2.415 9.739 ( 3.301 -0.636 0.365) 3.382 10.710 ( 0.134 2.744 0.456) 2.785 10.771 ( 0.387 2.993 -0.377) 3.042 10.861 ( -0.767 -1.678 1.243) 2.225 10.952 ( -0.531 -2.963 -0.189) 3.016 10.968 ( 0.796 -4.674 0.569) 4.776 11.092 ( 0.446 -3.607 -1.163) 3.816 11.297 ( -0.760 6.233 0.525) 6.301 11.413 ( 0.659 1.557 -1.452) 2.228 11.631 ( -0.481 0.827 0.989) 1.376 11.656 ( 0.371 0.388 2.038) 2.107 11.814 ( -0.088 -0.131 -1.772) 1.779 11.912 ( -0.374 -1.395 -2.662) 3.028 12.714 ( 0.149 0.415 2.000) 2.048 12.740 ( -0.017 -0.452 3.404) 3.434 13.051 ( 0.407 1.762 -4.377) 4.736 13.201 ( -0.174 -1.766 -3.461) 3.890 14.303 ( -0.262 0.340 0.626) 0.759 14.330 ( -0.213 0.477 0.506) 0.727 14.590 ( 0.503 0.855 -1.688) 1.958 14.684 ( -0.604 -0.842 -1.986) 2.240 14.919 ( -0.175 -0.580 0.151) 0.624 14.959 ( -0.565 -2.667 0.202) 2.734 15.026 ( 0.150 1.446 0.584) 1.567 15.079 ( 1.000 1.553 -0.576) 1.935 15.526 ( 1.026 -0.336 -1.380) 1.752 15.576 ( 0.120 -0.872 -3.403) 3.515 15.738 ( -0.712 0.772 2.921) 3.104 15.797 ( -0.484 -0.066 -1.218) 1.312 15.934 ( 0.979 2.028 2.625) 3.458 16.050 ( 0.103 -0.109 -0.049) 0.158 16.181 ( -0.558 -0.903 3.949) 4.089 16.230 ( 0.065 -1.213 0.944) 1.539 16.840 ( 0.228 -0.567 1.353) 1.485 16.969 ( -0.602 -2.455 -0.994) 2.716 17.023 ( 0.532 3.684 2.816) 4.667 17.174 ( -0.885 1.772 -0.508) 2.045 17.337 ( -1.624 -0.142 1.370) 2.130 17.351 ( -1.381 -0.465 -0.060) 1.459 17.402 ( 1.590 -0.801 0.553) 1.865 17.410 ( 0.521 -1.154 -0.146) 1.274 18.398 ( -0.730 0.716 0.197) 1.041 18.528 ( 1.087 -3.038 -4.157) 5.263 18.693 ( -0.678 2.136 2.734) 3.535 18.764 ( 0.899 1.009 0.561) 1.463 18.848 ( -1.581 -1.674 -0.638) 2.390 18.971 ( -1.717 -1.035 -0.990) 2.236 19.030 ( 0.964 -0.151 0.795) 1.258 19.079 ( 1.028 0.709 1.481) 1.937 27.693 ( 0.119 0.270 0.636) 0.701 27.742 ( -0.244 1.583 0.271) 1.625 27.845 ( -0.230 -0.587 -0.715) 0.953 27.881 ( 0.226 -2.884 0.302) 2.908 27.904 ( 0.122 -0.928 -0.220) 0.961 27.958 ( 0.029 0.182 -0.279) 0.334 27.974 ( -0.540 -3.344 -1.180) 3.587 28.038 ( 0.624 -1.361 0.792) 1.694 28.894 ( 0.186 6.449 2.008) 6.757 29.075 ( -0.544 9.036 -1.788) 9.227 29.241 ( 0.742 0.186 2.913) 3.012 29.307 ( 0.695 2.878 0.943) 3.107 29.502 ( 1.292 3.964 -0.874) 4.260 29.538 ( -0.997 0.611 0.327) 1.215 29.619 ( 0.199 1.838 1.870) 2.629 29.698 ( 0.076 -1.334 0.580) 1.457 30.057 ( 4.799 -1.135 9.900) 11.061 30.099 ( 1.333 -3.097 2.932) 4.468 30.263 ( -1.635 0.263 0.808) 1.843 30.426 ( 0.119 7.996 -0.292) 8.002 30.496 ( -1.913 -3.437 -0.388) 3.953 30.730 ( 2.954 1.180 -1.265) 3.424 30.870 ( 0.270 -1.428 -1.024) 1.778 30.958 ( -3.220 -0.633 -0.684) 3.352 31.278 ( 6.763 3.964 -6.158) 9.969 31.650 ( -4.762 -2.693 2.992) 6.235 31.697 ( -2.573 -2.455 -7.052) 7.899 31.975 ( -1.542 -5.944 -2.287) 6.553 32.282 ( 1.179 2.548 6.434) 7.020 32.694 ( 1.465 -5.477 2.049) 6.028 32.907 ( 5.288 0.384 -8.960) 10.411 33.048 ( -6.996 -3.088 -2.379) 8.009 ======================= Grid point 45 (23/60) ======================= q-point: (-0.33 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -14.797 11.385 8.740) 20.615 1.369 ( -17.843 8.850 10.025) 22.297 1.675 ( -0.891 5.818 -9.491) 11.168 1.798 ( 0.984 -3.394 1.613) 3.885 1.865 ( -5.069 5.373 12.242) 14.298 1.986 ( 0.230 -1.320 -0.782) 1.551 2.149 ( 0.558 -2.305 1.856) 3.011 2.257 ( -1.578 -3.432 -1.799) 4.184 2.284 ( -3.031 1.375 -1.336) 3.587 2.382 ( -0.353 1.962 3.007) 3.608 2.411 ( 4.421 -0.839 -2.135) 4.981 2.449 ( -3.919 -2.599 -3.195) 5.685 2.517 ( -5.818 0.575 0.824) 5.904 2.639 ( -3.564 2.708 -1.681) 4.782 2.672 ( 1.651 -1.900 -3.263) 4.121 2.693 ( 1.172 10.305 -5.435) 11.709 2.764 ( -0.386 2.633 -2.840) 3.892 2.901 ( -0.527 0.065 -3.392) 3.433 2.961 ( -3.315 -3.865 7.076) 8.718 3.063 ( -3.115 3.959 1.555) 5.272 3.137 ( 2.227 -0.194 0.411) 2.273 3.206 ( 1.474 1.004 -0.416) 1.831 3.312 ( 6.474 2.250 3.482) 7.687 3.436 ( 1.250 1.336 -2.968) 3.486 3.476 ( -2.019 -2.311 1.134) 3.272 3.521 ( 5.754 -1.057 0.798) 5.904 3.570 ( 0.773 -5.288 1.543) 5.562 3.631 ( 5.231 3.641 -1.765) 6.614 3.764 ( 0.520 0.664 3.710) 3.805 3.856 ( -2.345 -1.331 6.046) 6.620 3.924 ( 0.638 0.828 4.316) 4.441 3.951 ( -0.703 -0.188 1.360) 1.543 3.989 ( 11.686 3.413 -1.839) 12.312 4.111 ( -1.465 -3.252 2.120) 4.149 4.219 ( -0.668 2.591 -0.697) 2.765 4.284 ( 3.976 2.549 -2.922) 5.554 4.294 ( -1.635 5.667 2.875) 6.562 4.391 ( 3.546 0.414 2.303) 4.248 4.497 ( 0.332 1.067 6.385) 6.482 4.534 ( -2.032 3.949 0.844) 4.521 4.612 ( -1.503 1.860 -1.273) 2.710 4.676 ( 4.250 -0.294 7.044) 8.232 4.737 ( 0.386 2.669 1.906) 3.303 4.857 ( 7.164 -0.325 -1.078) 7.252 4.989 ( -1.801 -2.622 1.574) 3.550 5.101 ( -2.947 1.079 1.077) 3.318 5.166 ( -0.511 0.673 -3.372) 3.476 5.298 ( -0.277 -8.266 5.016) 9.673 5.368 ( 1.773 -6.023 -0.374) 6.289 5.463 ( 3.970 -7.496 2.159) 8.753 5.567 ( -1.431 -0.494 -0.513) 1.598 5.701 ( -1.545 0.489 -3.940) 4.260 5.723 ( 0.087 1.854 -5.651) 5.948 5.846 ( 1.501 -1.008 -5.573) 5.859 6.012 ( -1.895 -3.499 -0.774) 4.053 6.147 ( -1.915 0.445 0.478) 2.023 6.563 ( -1.240 2.033 -1.965) 3.087 6.672 ( -2.692 1.682 -0.872) 3.292 6.690 ( -2.016 2.077 -2.716) 3.969 6.796 ( 0.162 3.136 -0.282) 3.153 7.129 ( 1.330 -0.403 -1.369) 1.951 7.152 ( -3.431 -0.034 -1.637) 3.801 7.167 ( -0.838 0.996 3.677) 3.901 7.729 ( -7.083 -8.964 -5.135) 12.525 7.927 ( 2.669 2.854 -0.315) 3.920 7.986 ( -1.154 3.062 -0.430) 3.300 8.142 ( -1.119 -1.666 -4.080) 4.547 8.200 ( -4.225 -4.412 -2.952) 6.785 8.648 ( 1.159 3.560 -0.412) 3.766 8.772 ( 1.671 -0.043 -1.996) 2.604 8.843 ( 2.942 -2.449 3.150) 4.958 8.910 ( 1.968 -2.446 -0.066) 3.140 9.475 ( -1.715 -0.103 -0.277) 1.740 9.515 ( -1.425 -1.316 0.752) 2.080 9.646 ( -0.823 2.438 -0.590) 2.640 9.811 ( 3.577 -2.196 2.650) 4.964 10.716 ( 0.390 2.417 0.542) 2.508 10.766 ( -0.636 2.850 -0.061) 2.920 10.880 ( 2.189 -2.180 0.376) 3.112 10.946 ( 0.032 -2.076 0.165) 2.083 10.985 ( 0.922 -4.855 0.299) 4.951 11.094 ( -0.196 -3.438 -0.608) 3.497 11.275 ( -1.300 6.008 -0.277) 6.154 11.378 ( -3.560 1.753 -0.870) 4.062 11.628 ( -0.001 0.953 1.041) 1.412 11.696 ( 3.304 -0.477 1.968) 3.875 11.810 ( -0.166 -0.019 -1.948) 1.955 11.907 ( 0.073 -1.326 -2.903) 3.193 12.723 ( 0.509 0.424 2.307) 2.400 12.750 ( 0.834 -0.194 3.383) 3.489 13.058 ( 0.532 1.700 -4.313) 4.667 13.196 ( -0.103 -1.670 -3.481) 3.862 14.296 ( -0.432 0.489 0.317) 0.725 14.321 ( -0.627 0.365 0.215) 0.757 14.615 ( 1.911 0.281 -1.279) 2.316 14.686 ( 0.951 -0.896 -2.548) 2.863 14.902 ( -1.320 -0.547 0.089) 1.432 14.938 ( -1.400 -2.516 -0.713) 2.966 15.016 ( -1.137 1.724 0.600) 2.151 15.078 ( -1.071 1.771 0.041) 2.070 15.550 ( 1.256 -1.134 -0.795) 1.870 15.598 ( 2.226 -0.524 -3.515) 4.193 15.724 ( -0.913 0.535 2.818) 3.010 15.781 ( -0.967 0.367 -0.961) 1.412 15.954 ( 0.747 1.412 3.050) 3.443 16.045 ( -0.451 -0.071 -0.224) 0.509 16.163 ( -1.457 -1.064 3.367) 3.820 16.224 ( -0.709 -1.195 1.065) 1.751 16.839 ( -0.309 -0.343 1.390) 1.464 16.949 ( -1.452 -1.446 -1.531) 2.558 17.024 ( -0.657 3.596 2.367) 4.355 17.161 ( -0.278 0.377 -0.400) 0.616 17.307 ( -1.029 -0.788 -0.069) 1.298 17.333 ( -0.413 -0.040 1.757) 1.805 17.411 ( 0.424 -1.021 -0.761) 1.342 17.450 ( 2.020 -0.563 2.310) 3.120 18.411 ( 1.915 0.552 -0.239) 2.008 18.533 ( -0.502 -4.526 -3.186) 5.557 18.652 ( -2.922 2.734 2.105) 4.522 18.804 ( 2.388 1.767 0.157) 2.975 18.827 ( -0.623 0.767 -1.354) 1.677 18.950 ( -0.194 -1.625 -1.367) 2.133 19.034 ( -0.628 0.506 0.582) 0.995 19.102 ( 1.343 0.109 2.233) 2.608 27.695 ( -0.024 0.246 0.722) 0.763 27.739 ( -0.067 1.716 0.191) 1.728 27.843 ( 0.069 -0.589 -0.981) 1.146 27.886 ( 0.199 -3.074 0.398) 3.106 27.911 ( 0.519 -0.817 -0.189) 0.986 27.954 ( -0.328 -0.432 -1.448) 1.546 27.966 ( -0.139 -2.525 0.279) 2.544 28.051 ( 0.518 -1.308 0.695) 1.569 28.900 ( 0.275 6.784 2.257) 7.155 29.070 ( 0.200 8.759 -1.634) 8.913 29.278 ( 2.671 0.116 2.132) 3.419 29.353 ( 3.617 2.507 0.347) 4.415 29.521 ( 0.030 0.044 -0.222) 0.228 29.549 ( 2.512 3.797 1.817) 4.902 29.624 ( 0.166 1.358 1.829) 2.284 29.696 ( 0.011 0.752 1.061) 1.300 30.150 ( 3.954 -2.931 3.545) 6.066 30.153 ( 1.503 -1.995 13.860) 14.083 30.248 ( 2.092 0.400 -0.387) 2.165 30.431 ( 0.151 7.314 -0.448) 7.330 30.476 ( 0.581 -1.904 -2.527) 3.217 30.806 ( 3.130 -2.672 0.867) 4.206 30.890 ( -1.173 -2.501 -2.880) 3.990 30.941 ( 3.719 0.284 0.249) 3.738 31.405 ( 5.369 3.352 -3.955) 7.463 31.569 ( -7.759 -3.108 -9.415) 12.590 31.623 ( 2.949 -0.886 4.807) 5.708 31.958 ( -0.180 -5.080 -2.873) 5.839 32.294 ( -0.400 3.397 5.175) 6.203 32.678 ( -3.540 -5.427 2.944) 7.117 32.857 ( -10.741 -0.118 -1.656) 10.868 32.948 ( -1.565 -3.301 -12.579) 13.098 ======================= Grid point 46 (24/60) ======================= q-point: (-0.17 0.20 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -7.004 17.399 14.380) 23.634 0.988 ( -19.570 14.619 11.222) 26.882 1.565 ( -10.382 5.849 4.092) 12.600 1.686 ( -7.097 6.653 -1.340) 9.820 1.837 ( -1.918 9.669 13.456) 16.680 1.967 ( -11.622 0.597 7.874) 14.051 2.085 ( -8.340 -0.613 10.662) 13.550 2.128 ( 7.182 -2.039 -5.732) 9.412 2.219 ( 0.609 2.077 0.342) 2.192 2.316 ( -0.064 -1.141 -0.619) 1.300 2.359 ( -1.963 1.881 -2.094) 3.432 2.477 ( -0.976 1.533 -11.344) 11.489 2.552 ( 2.709 0.971 -5.255) 5.991 2.609 ( 0.074 -3.186 1.990) 3.757 2.697 ( 3.676 -4.330 -2.491) 6.202 2.772 ( 1.419 -2.924 0.342) 3.268 2.822 ( 4.408 -1.108 -2.378) 5.130 2.908 ( 1.482 0.994 -2.911) 3.414 2.994 ( 2.501 -1.101 1.952) 3.358 3.077 ( 5.206 0.077 -0.434) 5.224 3.198 ( 2.887 -3.158 2.650) 5.033 3.273 ( 2.857 3.390 2.127) 4.917 3.352 ( -4.454 1.067 4.942) 6.738 3.442 ( 1.184 3.148 2.546) 4.218 3.479 ( 2.437 -1.880 5.566) 6.360 3.543 ( -0.010 -1.437 -6.901) 7.050 3.607 ( 2.780 -1.087 -1.807) 3.489 3.693 ( -1.946 -2.209 1.430) 3.272 3.761 ( -2.065 -2.321 2.124) 3.764 3.846 ( -0.391 0.857 -0.364) 1.010 3.897 ( 2.301 1.615 4.737) 5.508 4.001 ( 2.299 1.047 0.363) 2.552 4.056 ( -0.761 -4.449 6.560) 7.963 4.163 ( -0.774 9.098 -1.039) 9.190 4.232 ( 5.688 2.026 -1.945) 6.343 4.268 ( -0.017 0.518 0.395) 0.651 4.377 ( 3.981 7.608 -6.106) 10.536 4.474 ( 0.847 7.471 -3.940) 8.489 4.522 ( 1.867 0.313 4.921) 5.272 4.565 ( 1.417 4.188 -2.488) 5.073 4.586 ( 3.932 1.747 4.311) 6.091 4.680 ( -0.955 -3.373 4.899) 6.024 4.770 ( 1.861 4.697 1.478) 5.264 4.918 ( -1.235 -2.809 5.207) 6.044 5.006 ( -2.473 -2.845 1.643) 4.112 5.068 ( -2.239 -2.421 2.122) 3.921 5.180 ( 6.524 1.222 -3.924) 7.710 5.285 ( -0.401 -9.972 5.257) 11.280 5.387 ( 1.699 -6.861 -2.093) 7.371 5.461 ( -2.563 0.929 -1.781) 3.257 5.600 ( 3.100 -2.830 1.578) 4.484 5.703 ( 2.984 -0.024 -2.641) 3.985 5.725 ( 0.243 2.489 -6.747) 7.195 5.847 ( -0.806 -1.734 -4.784) 5.152 5.989 ( 0.119 -2.101 1.686) 2.697 6.123 ( -0.461 0.205 2.861) 2.906 6.544 ( -0.621 2.835 -3.094) 4.242 6.588 ( -4.810 0.796 -0.186) 4.879 6.644 ( -1.672 1.586 -1.968) 3.031 6.771 ( -4.737 -0.874 -4.101) 6.326 7.030 ( -3.258 -0.406 1.676) 3.686 7.164 ( 0.008 2.012 1.127) 2.306 7.234 ( 5.587 -1.156 -2.611) 6.275 7.523 ( -12.851 -6.881 -5.472) 15.571 7.938 ( -1.399 2.566 -0.763) 3.020 8.000 ( 2.147 3.707 1.162) 4.438 8.021 ( -7.915 0.828 -5.786) 9.840 8.171 ( -0.025 -2.388 -1.292) 2.715 8.676 ( 1.443 3.965 -1.108) 4.362 8.792 ( 0.682 0.548 -2.123) 2.296 8.902 ( 1.653 -4.055 2.113) 4.862 8.961 ( 2.888 -2.086 -0.003) 3.562 9.450 ( -0.564 0.015 0.471) 0.734 9.498 ( -0.189 -1.554 0.768) 1.743 9.623 ( -1.233 2.589 -0.086) 2.869 9.876 ( 1.940 -6.816 4.979) 8.661 10.724 ( 0.231 2.067 0.742) 2.208 10.754 ( -0.479 2.247 -0.099) 2.300 10.926 ( 1.745 -2.344 -0.399) 2.949 10.959 ( 1.483 -1.547 0.614) 2.229 11.006 ( 1.017 -4.931 -0.551) 5.065 11.080 ( -1.293 -3.202 0.235) 3.461 11.256 ( -0.146 5.387 -1.359) 5.558 11.299 ( -3.645 1.964 -0.731) 4.204 11.636 ( 0.793 1.936 0.405) 2.131 11.769 ( 2.759 -2.701 1.775) 4.249 11.811 ( 0.965 0.762 -2.387) 2.685 11.909 ( 0.413 -1.232 -2.853) 3.135 12.734 ( 0.199 0.305 2.658) 2.683 12.780 ( 1.786 0.367 2.749) 3.299 13.064 ( 0.454 1.465 -3.981) 4.266 13.188 ( -0.373 -1.525 -3.289) 3.645 14.288 ( -0.264 0.493 -0.016) 0.559 14.309 ( -0.479 0.228 -0.030) 0.531 14.647 ( 0.792 -1.010 -1.209) 1.763 14.717 ( 2.449 -1.090 -3.351) 4.291 14.876 ( -1.137 0.171 -0.169) 1.162 14.910 ( -0.831 -1.100 -1.094) 1.760 14.987 ( -1.528 1.731 0.770) 2.434 15.039 ( -2.786 1.969 0.078) 3.412 15.573 ( 0.984 -1.261 -0.489) 1.673 15.645 ( 2.139 -0.378 -3.593) 4.199 15.709 ( -0.595 0.229 2.241) 2.330 15.761 ( -0.768 0.599 0.096) 0.978 15.966 ( -0.170 0.065 2.259) 2.266 16.035 ( -0.548 -0.487 -0.088) 0.739 16.136 ( -1.162 -0.959 2.502) 2.920 16.207 ( -0.925 -1.172 0.881) 1.734 16.838 ( 0.443 0.444 0.887) 1.086 16.904 ( -2.680 -0.038 -2.151) 3.437 17.005 ( -1.196 3.606 2.123) 4.352 17.161 ( 0.181 -0.786 -0.404) 0.902 17.292 ( -0.441 -0.340 -0.003) 0.557 17.357 ( 2.544 -3.220 5.699) 7.023 17.428 ( 1.558 0.566 0.269) 1.680 17.481 ( 0.707 -0.221 3.104) 3.191 18.460 ( 2.350 -0.087 0.320) 2.373 18.497 ( -2.716 -3.510 -0.940) 4.536 18.599 ( -2.180 3.605 0.396) 4.231 18.814 ( 0.215 2.163 -5.620) 6.025 18.854 ( 2.035 2.093 0.802) 3.027 18.941 ( -1.293 0.200 0.103) 1.312 19.025 ( 0.271 0.538 0.292) 0.669 19.135 ( 1.404 -0.929 1.565) 2.299 27.693 ( -0.160 0.231 0.631) 0.691 27.741 ( 0.240 1.441 0.264) 1.485 27.847 ( 0.462 -0.416 -1.311) 1.451 27.888 ( -0.042 -3.354 0.344) 3.372 27.920 ( 0.220 -1.137 -0.561) 1.287 27.949 ( 0.011 -1.327 -0.411) 1.389 27.966 ( 0.113 -1.004 -0.042) 1.011 28.058 ( 0.038 -1.033 0.639) 1.215 28.908 ( 0.250 7.246 2.439) 7.650 29.080 ( 0.916 8.248 -2.100) 8.560 29.338 ( 2.778 -0.266 1.829) 3.337 29.436 ( 4.141 2.788 -0.699) 5.041 29.515 ( -0.575 -0.103 0.314) 0.663 29.611 ( 2.341 1.260 2.030) 3.345 29.631 ( 0.791 1.714 -0.238) 1.903 29.727 ( 3.586 3.691 4.599) 6.902 30.120 ( -3.991 0.842 3.259) 5.221 30.249 ( 4.950 -3.496 3.555) 7.026 30.361 ( 5.048 -1.182 3.843) 6.453 30.444 ( 2.135 0.219 0.906) 2.329 30.496 ( 0.267 2.110 -2.636) 3.387 30.806 ( -7.710 -8.142 -1.712) 11.343 30.816 ( -1.048 -2.904 4.758) 5.672 31.044 ( 5.145 -0.276 1.004) 5.249 31.359 ( -8.572 -2.369 -6.737) 11.157 31.538 ( 5.605 -3.390 -2.601) 7.048 31.831 ( 17.124 3.741 4.297) 18.047 31.987 ( 4.486 -0.187 -1.765) 4.824 32.285 ( -0.248 3.457 2.283) 4.150 32.532 ( -11.290 -3.545 0.693) 11.854 32.658 ( -7.439 0.564 0.260) 7.465 32.800 ( -12.967 -4.599 -15.435) 20.677 ======================= Grid point 47 (25/60) ======================= q-point: ( 0.00 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -1.108 20.120 6.831) 21.277 1.311 ( 5.172 19.568 7.403) 21.551 1.470 ( -4.947 -14.147 3.519) 15.395 1.642 ( 3.298 -9.126 4.147) 10.553 1.785 ( 4.357 9.495 1.120) 10.507 2.056 ( 5.693 -8.480 1.929) 10.394 2.091 ( 0.870 6.616 -0.553) 6.696 2.200 ( -0.321 5.252 -1.699) 5.529 2.269 ( 3.835 -0.531 -3.397) 5.151 2.341 ( 0.999 -0.098 -2.639) 2.823 2.455 ( -2.595 -2.478 2.668) 4.471 2.471 ( 0.952 4.381 4.547) 6.385 2.544 ( -1.395 2.120 -4.008) 4.744 2.626 ( 1.416 -3.571 -6.233) 7.322 2.660 ( 1.787 5.352 -0.856) 5.707 2.715 ( -1.459 0.329 1.727) 2.285 2.852 ( 1.693 6.348 3.515) 7.451 2.922 ( -3.409 3.660 -4.353) 6.631 3.050 ( -2.422 -2.549 1.686) 3.899 3.092 ( -1.903 2.717 4.232) 5.377 3.141 ( -0.030 -3.250 -1.548) 3.600 3.193 ( -8.196 -3.966 8.965) 12.778 3.269 ( -3.779 -3.921 2.032) 5.812 3.363 ( 0.819 -8.314 1.962) 8.582 3.449 ( -2.071 -1.490 2.266) 3.413 3.540 ( -1.339 -6.343 1.927) 6.763 3.620 ( 0.732 1.156 -0.807) 1.589 3.657 ( 1.570 -1.795 -1.926) 3.065 3.748 ( 0.036 6.023 7.511) 9.628 3.858 ( -1.464 -4.178 6.822) 8.132 3.992 ( 2.978 6.131 0.545) 6.838 4.081 ( 4.353 -1.851 -0.311) 4.741 4.143 ( 3.451 7.793 -0.472) 8.536 4.208 ( -0.788 1.900 -5.791) 6.145 4.299 ( -0.171 3.339 0.838) 3.446 4.413 ( -1.276 3.475 2.173) 4.292 4.468 ( 2.984 -3.765 1.334) 4.985 4.535 ( 1.652 -4.748 4.755) 6.920 4.612 ( -1.617 4.860 -2.334) 5.629 4.632 ( 0.915 3.206 0.115) 3.336 4.668 ( -3.539 3.325 -2.523) 5.472 4.735 ( -0.262 -2.384 0.943) 2.577 4.791 ( 0.312 1.503 2.822) 3.212 4.848 ( -0.566 -1.866 -2.141) 2.896 4.928 ( -1.322 0.194 5.015) 5.190 4.978 ( -2.511 -5.174 3.827) 6.908 5.056 ( 1.507 1.878 0.080) 2.409 5.171 ( -1.918 -7.726 1.960) 8.198 5.368 ( -0.880 3.792 -7.613) 8.551 5.485 ( -3.521 -5.820 -6.284) 9.261 5.576 ( 1.681 4.346 -4.193) 6.268 5.690 ( 4.324 -6.475 -6.341) 10.041 5.750 ( -1.671 1.559 -6.247) 6.652 5.783 ( -1.422 -1.818 -5.113) 5.610 6.047 ( 3.088 1.630 5.827) 6.793 6.095 ( 1.475 -2.390 6.105) 6.720 6.552 ( -2.346 2.810 -2.853) 4.641 6.577 ( -3.364 1.479 -0.739) 3.748 6.610 ( 1.223 -0.110 -1.038) 1.607 6.649 ( 3.621 -2.496 -1.518) 4.653 7.165 ( 2.521 4.616 0.822) 5.323 7.202 ( 0.569 2.959 -0.198) 3.020 7.230 ( -1.380 -2.188 0.281) 2.603 7.300 ( 1.635 -4.379 -0.388) 4.690 7.920 ( -0.564 2.016 0.213) 2.104 7.968 ( -0.606 -1.475 -0.708) 1.745 8.092 ( -0.071 2.834 -1.760) 3.337 8.140 ( 0.300 -1.486 -3.153) 3.499 8.737 ( -0.490 1.460 0.457) 1.606 8.780 ( -1.035 -2.631 2.403) 3.710 8.902 ( 1.329 2.357 -4.187) 4.985 8.955 ( 1.082 -2.524 -1.702) 3.231 9.461 ( 1.054 0.471 1.693) 2.049 9.478 ( 1.065 -1.162 1.699) 2.317 9.651 ( -1.447 2.442 0.192) 2.845 9.715 ( -3.113 -3.966 2.118) 5.469 10.792 ( -0.096 3.652 -0.126) 3.656 10.808 ( -0.401 3.494 -0.942) 3.641 10.896 ( 0.714 -3.280 0.877) 3.470 10.919 ( 0.251 -3.159 -1.095) 3.353 10.954 ( 0.377 -1.250 0.306) 1.341 10.971 ( -1.500 -2.999 0.895) 3.471 11.291 ( -0.221 1.478 -0.713) 1.656 11.309 ( 0.432 0.051 -0.924) 1.021 11.699 ( 0.587 1.577 -0.235) 1.699 11.732 ( -0.300 -1.744 0.457) 1.828 11.850 ( 0.435 1.747 -3.658) 4.077 11.889 ( 0.944 -1.869 -2.801) 3.497 12.744 ( -0.433 1.063 2.677) 2.912 12.777 ( -0.422 -1.887 2.276) 2.987 13.103 ( 0.045 2.061 -3.570) 4.122 13.148 ( 0.315 -2.165 -3.193) 3.870 14.297 ( 0.070 0.451 0.069) 0.462 14.305 ( 0.063 -0.203 -0.000) 0.212 14.665 ( 0.676 2.035 -2.648) 3.407 14.716 ( 1.295 -2.595 -3.204) 4.322 14.880 ( 0.322 1.209 -0.925) 1.555 14.907 ( 0.937 -1.205 -0.866) 1.755 14.995 ( -0.780 0.694 1.384) 1.734 14.998 ( -2.124 0.451 1.646) 2.724 15.591 ( -0.183 1.517 -1.699) 2.285 15.629 ( -0.535 -1.743 -2.873) 3.403 15.730 ( 0.950 1.080 1.535) 2.104 15.754 ( 0.614 -1.016 0.739) 1.398 15.959 ( -1.032 1.733 2.034) 2.865 15.996 ( -0.425 -1.676 1.451) 2.258 16.146 ( 0.705 0.853 0.270) 1.139 16.169 ( 0.212 -1.302 0.319) 1.357 16.855 ( -1.447 1.206 -1.144) 2.204 16.878 ( -0.088 -0.896 -0.875) 1.256 17.069 ( 0.219 3.645 1.412) 3.915 17.134 ( 0.893 -2.398 0.482) 2.604 17.303 ( 1.012 0.689 2.071) 2.406 17.330 ( 1.248 -2.066 3.951) 4.630 17.473 ( 0.052 0.282 2.595) 2.611 17.478 ( -0.573 -0.166 2.657) 2.723 18.460 ( 0.086 0.558 1.517) 1.618 18.477 ( -0.028 -1.026 1.712) 1.996 18.674 ( -0.062 5.609 -1.182) 5.732 18.788 ( 0.555 -4.663 -2.933) 5.537 18.930 ( 1.090 1.774 0.769) 2.220 18.943 ( 0.192 0.805 0.804) 1.154 19.053 ( -0.591 1.451 -1.046) 1.884 19.096 ( -1.404 -2.231 -0.007) 2.637 27.708 ( -0.157 1.715 0.128) 1.727 27.760 ( -0.111 -2.115 -1.099) 2.386 27.810 ( 0.135 1.016 0.538) 1.157 27.866 ( 0.014 -2.768 -1.555) 3.175 27.886 ( 0.220 0.884 -0.575) 1.077 27.915 ( 0.444 -1.690 -0.277) 1.769 27.987 ( -0.198 1.626 0.323) 1.670 28.025 ( -0.427 -1.735 0.333) 1.818 29.065 ( -0.542 6.133 2.536) 6.659 29.146 ( -0.698 -1.410 1.668) 2.293 29.406 ( 0.798 3.535 2.329) 4.308 29.484 ( 1.100 -2.990 2.200) 3.872 29.546 ( 0.929 2.257 1.058) 2.660 29.595 ( -0.079 -2.177 1.499) 2.645 29.748 ( -0.213 5.016 -0.455) 5.041 29.833 ( 0.579 -2.645 1.603) 3.147 30.035 ( -10.909 6.148 -3.160) 12.915 30.140 ( -6.412 -4.200 1.392) 7.791 30.364 ( -0.080 1.704 -0.567) 1.798 30.402 ( -0.022 -1.506 -0.938) 1.774 30.611 ( 6.237 5.323 2.381) 8.538 30.747 ( 7.734 -6.998 4.959) 11.549 30.863 ( 0.700 9.243 0.119) 9.271 31.029 ( -0.956 -5.810 0.332) 5.897 31.218 ( -3.800 3.405 -4.933) 7.097 31.376 ( -2.464 -10.975 -1.574) 11.358 32.116 ( 2.594 1.052 -0.118) 2.801 32.129 ( 1.480 -0.496 0.675) 1.701 32.317 ( -1.047 0.290 -1.251) 1.656 32.335 ( -3.154 -1.324 -1.531) 3.748 32.570 ( -0.101 1.045 -2.895) 3.080 32.597 ( 5.271 -1.426 -4.051) 6.799 ======================= Grid point 48 (26/60) ======================= q-point: ( 0.17 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 13.460 13.331 2.583) 19.119 1.376 ( 4.358 8.273 11.079) 14.498 1.611 ( 13.214 -2.611 -1.634) 13.569 1.781 ( 7.710 -9.639 3.778) 12.909 1.879 ( 4.551 9.530 1.478) 10.664 2.058 ( -3.009 0.457 5.934) 6.669 2.173 ( 3.132 0.017 3.348) 4.585 2.214 ( -0.824 6.108 4.100) 7.402 2.297 ( 1.273 4.064 -1.980) 4.697 2.353 ( 1.901 -0.011 0.006) 1.901 2.387 ( -4.057 -0.716 -1.048) 4.251 2.464 ( -4.423 0.583 -5.215) 6.863 2.507 ( -4.174 -0.886 0.533) 4.300 2.579 ( 2.453 -3.103 2.965) 4.943 2.740 ( 4.220 4.649 -1.631) 6.487 2.762 ( 2.933 0.669 -5.350) 6.138 2.853 ( -2.501 6.615 -2.651) 7.552 2.930 ( 3.754 1.767 -4.995) 6.494 2.944 ( -6.524 0.286 9.639) 11.643 3.042 ( -4.658 -6.845 8.373) 11.776 3.069 ( 1.605 0.980 -2.789) 3.364 3.128 ( -0.947 -1.226 -3.719) 4.028 3.265 ( 2.312 -3.256 -2.316) 4.617 3.368 ( -2.577 3.263 -1.302) 4.357 3.427 ( 0.515 -6.759 1.703) 6.989 3.479 ( -3.009 -8.256 -0.575) 8.806 3.618 ( -0.846 1.998 -0.389) 2.204 3.678 ( 0.134 -4.348 -1.648) 4.652 3.773 ( 2.482 3.244 8.964) 9.850 3.840 ( -0.753 -2.055 8.949) 9.213 3.968 ( -4.446 7.156 5.196) 9.898 4.058 ( -5.030 -0.049 0.252) 5.037 4.197 ( 0.613 5.645 0.669) 5.717 4.253 ( 2.622 0.748 -4.126) 4.946 4.255 ( -3.879 3.485 -4.977) 7.209 4.364 ( -2.849 -1.278 4.849) 5.768 4.475 ( -2.802 -0.155 8.570) 9.018 4.520 ( -3.360 0.601 2.792) 4.410 4.574 ( -1.474 2.039 -5.184) 5.762 4.617 ( -1.269 -1.281 1.563) 2.386 4.656 ( 0.600 1.560 1.050) 1.974 4.698 ( -0.789 -1.283 -0.433) 1.567 4.745 ( -4.031 3.513 5.989) 8.028 4.800 ( -2.220 0.589 0.548) 2.361 4.986 ( 1.698 -5.080 1.845) 5.665 5.016 ( 6.188 -1.402 -1.740) 6.579 5.078 ( -1.558 -1.710 3.303) 4.032 5.121 ( -0.500 -5.446 -1.049) 5.568 5.291 ( -5.334 3.713 -4.715) 8.029 5.395 ( -2.417 -4.349 -4.592) 6.771 5.573 ( -1.557 6.627 -5.251) 8.597 5.715 ( -1.063 0.521 -5.496) 5.622 5.725 ( -1.275 -5.148 -5.466) 7.616 5.761 ( 0.874 -4.899 -5.352) 7.308 6.073 ( -0.935 3.683 4.993) 6.274 6.142 ( 1.937 -2.543 3.634) 4.840 6.548 ( 0.666 1.058 -1.924) 2.295 6.558 ( 2.565 0.038 -2.560) 3.623 6.697 ( 6.163 3.738 -1.194) 7.306 6.784 ( 8.416 -4.106 -1.267) 9.449 7.124 ( -3.265 5.781 2.603) 7.131 7.190 ( -0.122 0.666 0.594) 0.901 7.291 ( 1.509 0.246 0.670) 1.669 7.397 ( 7.631 -7.830 -1.047) 10.983 7.954 ( 2.988 2.588 -0.780) 4.030 8.005 ( 4.118 -1.596 -1.576) 4.689 8.071 ( -1.687 1.899 -1.031) 2.742 8.132 ( -0.749 -2.528 -3.163) 4.118 8.728 ( -0.280 1.028 -0.388) 1.134 8.761 ( -0.843 -2.250 1.639) 2.909 8.881 ( -3.169 2.614 -2.636) 4.881 8.932 ( -3.019 -2.269 -0.571) 3.819 9.493 ( 1.733 0.389 1.755) 2.497 9.508 ( 1.529 -1.042 2.203) 2.877 9.637 ( 0.207 1.270 -0.677) 1.454 9.667 ( -1.174 -1.671 -0.241) 2.056 10.789 ( -0.217 3.557 -0.051) 3.564 10.805 ( 0.138 2.936 -1.007) 3.107 10.895 ( -0.840 -2.480 0.184) 2.625 10.913 ( -0.356 -1.969 0.368) 2.035 10.932 ( -2.160 -1.177 0.429) 2.497 10.964 ( 0.624 -4.193 0.025) 4.239 11.319 ( 2.731 1.733 -0.983) 3.380 11.341 ( 2.465 -0.181 -0.750) 2.583 11.697 ( -0.678 0.906 0.044) 1.132 11.711 ( -1.605 -0.403 0.779) 1.829 11.847 ( -0.307 2.491 -2.816) 3.772 11.897 ( -0.053 -2.095 -2.432) 3.210 12.735 ( -0.637 0.838 2.448) 2.665 12.757 ( -1.415 -1.170 2.499) 3.101 13.100 ( -0.026 2.337 -3.751) 4.420 13.154 ( 0.353 -2.722 -3.411) 4.378 14.303 ( 0.468 0.487 0.120) 0.686 14.313 ( 0.682 -0.391 0.090) 0.792 14.661 ( -1.013 2.278 -2.233) 3.347 14.714 ( -1.291 -2.568 -2.123) 3.573 14.897 ( 1.196 1.189 -0.900) 1.912 14.926 ( 0.572 -1.479 0.402) 1.636 14.992 ( 1.786 0.943 0.216) 2.031 15.000 ( 1.203 0.019 0.694) 1.389 15.566 ( -1.695 1.545 -1.684) 2.845 15.600 ( -1.750 -1.497 -2.043) 3.078 15.760 ( 1.515 0.523 0.902) 1.839 15.772 ( 0.742 -0.267 0.405) 0.887 15.952 ( 0.201 2.389 1.631) 2.899 15.998 ( 0.518 -1.938 1.376) 2.432 16.164 ( 0.781 0.525 1.247) 1.562 16.181 ( 0.700 -1.069 0.674) 1.445 16.832 ( -0.429 1.487 -0.322) 1.581 16.877 ( 0.195 -2.755 -0.985) 2.932 17.087 ( 1.275 4.511 1.281) 4.859 17.165 ( 1.846 -2.468 0.219) 3.090 17.325 ( 0.867 0.715 2.116) 2.396 17.350 ( 0.372 -1.784 3.487) 3.934 17.444 ( -2.436 0.523 1.869) 3.114 17.456 ( -2.156 -0.482 2.510) 3.343 18.458 ( -0.655 -0.102 0.903) 1.120 18.468 ( -0.495 -1.080 0.841) 1.455 18.682 ( 0.728 5.169 -0.287) 5.228 18.793 ( -0.233 -4.633 -1.356) 4.833 18.942 ( -0.972 2.606 1.599) 3.208 18.960 ( 1.836 1.059 0.556) 2.191 19.032 ( -0.608 -0.161 -2.063) 2.157 19.050 ( -2.760 -1.723 0.050) 3.254 27.707 ( -0.010 1.690 0.036) 1.690 27.758 ( -0.020 -2.202 -1.034) 2.433 27.813 ( 0.088 1.033 0.641) 1.219 27.866 ( 0.091 -2.558 -1.238) 2.843 27.887 ( -0.158 1.045 -0.781) 1.314 27.919 ( -0.061 -1.915 -0.110) 1.919 27.982 ( -0.304 1.234 0.074) 1.273 28.012 ( -0.699 -1.474 0.318) 1.662 29.048 ( -1.113 6.004 2.307) 6.528 29.137 ( -0.357 -2.437 1.170) 2.727 29.405 ( -0.867 5.201 3.003) 6.068 29.490 ( -1.175 -1.725 1.780) 2.743 29.573 ( 0.927 0.403 2.525) 2.720 29.594 ( -0.519 -1.317 1.853) 2.331 29.666 ( -6.935 6.081 -1.924) 9.422 29.724 ( -6.255 1.422 -3.033) 7.096 29.936 ( 0.563 3.706 2.953) 4.772 30.038 ( -2.897 -5.224 -0.072) 5.974 30.359 ( -1.118 1.678 0.569) 2.095 30.398 ( -0.165 -1.910 -0.166) 1.924 30.726 ( 2.203 6.807 1.774) 7.371 30.806 ( -1.660 0.326 -1.832) 2.493 30.932 ( 2.553 5.696 2.770) 6.829 31.002 ( -0.638 -0.735 1.272) 1.602 31.204 ( 2.436 -5.020 -4.742) 7.323 31.292 ( -1.836 -10.543 -4.511) 11.614 32.010 ( -8.778 2.266 2.440) 9.388 32.062 ( -5.385 -2.618 1.683) 6.220 32.279 ( 0.168 4.845 -1.510) 5.077 32.388 ( 4.704 -5.249 -1.175) 7.145 32.683 ( 9.296 5.643 -3.581) 11.450 32.827 ( 11.721 -8.238 -3.534) 14.756 ======================= Grid point 49 (27/60) ======================= q-point: ( 0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 7.322 7.890 7.492) 13.115 1.525 ( 8.485 5.819 6.755) 12.308 1.811 ( 3.458 5.348 2.154) 6.723 1.902 ( 1.291 1.543 -6.862) 7.151 1.924 ( 2.312 0.798 -7.669) 8.050 1.993 ( -1.248 -8.275 -0.272) 8.373 2.162 ( 0.288 5.521 7.358) 9.203 2.239 ( -4.214 -1.760 -7.838) 9.072 2.262 ( 1.947 -0.758 2.895) 3.570 2.344 ( -3.570 -2.522 -3.393) 5.534 2.364 ( -0.183 3.634 4.638) 5.895 2.426 ( 0.635 3.826 4.242) 5.747 2.481 ( 2.817 -1.474 1.497) 3.514 2.596 ( -1.062 -6.015 5.810) 8.430 2.698 ( -5.380 2.466 6.704) 8.943 2.780 ( -0.856 -2.033 3.718) 4.323 2.837 ( 1.246 3.465 -3.925) 5.382 2.908 ( 1.484 -5.556 -5.756) 8.136 3.027 ( 2.020 -2.262 2.631) 4.015 3.059 ( 4.910 1.079 -7.034) 8.646 3.122 ( 1.340 2.793 -3.019) 4.326 3.145 ( 4.577 1.145 -5.406) 7.175 3.307 ( -0.344 3.540 -2.321) 4.248 3.332 ( -2.395 7.297 0.869) 7.729 3.378 ( 6.141 1.905 -4.177) 7.667 3.506 ( 2.767 -0.852 0.251) 2.906 3.573 ( -3.936 1.377 -0.736) 4.235 3.718 ( 2.841 -9.075 6.485) 11.510 3.778 ( -5.135 4.921 0.863) 7.164 3.845 ( 2.509 -2.700 1.001) 3.820 3.923 ( -3.627 2.515 8.002) 9.138 3.941 ( -0.703 0.492 5.329) 5.398 4.091 ( -7.524 6.572 1.621) 10.121 4.214 ( -0.386 0.020 0.689) 0.790 4.270 ( -2.996 -1.318 0.898) 3.395 4.355 ( 0.054 -2.924 0.754) 3.020 4.394 ( -2.858 -1.287 8.458) 9.020 4.432 ( -6.990 -3.321 3.865) 8.650 4.503 ( -2.760 4.692 -0.382) 5.457 4.576 ( -3.685 -2.458 5.872) 7.356 4.656 ( -1.455 4.157 2.804) 5.221 4.675 ( 0.464 0.698 2.814) 2.936 4.729 ( 0.575 3.424 0.137) 3.475 4.813 ( 1.874 1.741 -3.326) 4.196 4.953 ( -3.495 -4.356 2.265) 6.027 5.039 ( -0.502 -8.498 2.939) 9.006 5.106 ( 2.350 -1.417 -1.571) 3.161 5.132 ( 0.357 -0.465 -1.644) 1.746 5.254 ( 1.140 2.349 0.488) 2.656 5.328 ( -4.239 -3.410 0.415) 5.456 5.566 ( 1.775 5.451 -7.700) 9.600 5.685 ( -0.211 -3.118 -6.890) 7.566 5.730 ( 1.722 0.004 -5.475) 5.740 5.779 ( 1.273 -4.954 -7.349) 8.954 6.047 ( -1.615 4.609 3.234) 5.857 6.156 ( -0.654 -4.530 1.759) 4.903 6.587 ( 2.676 1.651 -1.901) 3.674 6.614 ( 2.866 -0.605 -0.823) 3.042 6.808 ( 4.077 5.940 -2.184) 7.529 6.904 ( 1.664 -1.532 -1.245) 2.582 7.097 ( 1.370 2.572 1.990) 3.529 7.176 ( -1.527 -2.839 4.171) 5.271 7.313 ( 1.316 7.702 -0.340) 7.821 7.531 ( 4.956 -11.839 -1.789) 12.958 7.988 ( -0.657 5.076 -2.057) 5.516 8.032 ( -0.893 1.441 0.215) 1.709 8.090 ( 2.326 -2.973 -1.771) 4.170 8.120 ( 0.924 -5.066 -2.935) 5.928 8.727 ( 0.175 1.149 -0.950) 1.501 8.751 ( -0.351 -0.897 1.132) 1.486 8.797 ( -3.857 2.395 -0.988) 4.647 8.861 ( -3.272 -3.098 -0.211) 4.510 9.519 ( 0.378 0.335 1.147) 1.253 9.531 ( 0.339 -0.902 1.974) 2.197 9.657 ( 1.646 1.027 -1.374) 2.377 9.675 ( 1.793 -0.709 -1.344) 2.350 10.784 ( -0.282 3.154 0.143) 3.170 10.810 ( 0.309 1.394 -0.595) 1.547 10.878 ( -0.567 -1.019 -0.090) 1.170 10.890 ( -1.796 1.200 0.685) 2.266 10.912 ( -0.070 -2.575 0.631) 2.652 10.978 ( 0.707 -5.391 -0.426) 5.454 11.377 ( 2.372 1.981 -0.929) 3.227 11.393 ( 2.682 0.364 -1.071) 2.910 11.674 ( -1.492 0.699 0.529) 1.730 11.679 ( -1.450 0.291 1.440) 2.064 11.837 ( -0.430 2.087 -2.204) 3.066 11.886 ( -0.683 -2.237 -2.349) 3.315 12.725 ( -0.455 0.473 2.321) 2.412 12.735 ( -0.831 -0.509 2.797) 2.962 13.097 ( 0.117 2.594 -3.952) 4.729 13.155 ( 0.088 -2.795 -3.568) 4.534 14.313 ( 0.394 0.681 0.249) 0.825 14.327 ( 0.510 -0.471 0.284) 0.750 14.632 ( -1.274 2.057 -1.970) 3.120 14.678 ( -1.631 -2.138 -1.736) 3.200 14.913 ( 0.314 0.485 0.239) 0.625 14.929 ( -0.254 -0.999 1.208) 1.588 15.033 ( 1.915 1.018 0.127) 2.172 15.048 ( 2.835 -0.339 -0.963) 3.013 15.536 ( -0.945 1.217 -1.871) 2.424 15.566 ( -1.307 -1.473 -2.170) 2.930 15.771 ( -0.256 0.963 0.889) 1.335 15.787 ( 0.490 -0.551 -0.106) 0.745 15.966 ( 0.935 2.621 1.955) 3.400 16.016 ( 0.953 -1.954 1.535) 2.661 16.176 ( 0.281 0.463 2.133) 2.200 16.194 ( 0.521 -1.184 0.990) 1.629 16.836 ( 0.594 1.353 0.451) 1.544 16.887 ( 0.700 -3.427 -0.373) 3.517 17.114 ( 1.091 5.131 1.577) 5.478 17.195 ( 0.752 -1.928 0.212) 2.080 17.341 ( 0.580 0.178 1.298) 1.433 17.352 ( -0.275 -0.918 2.007) 2.224 17.397 ( -2.012 0.111 0.752) 2.151 17.406 ( -2.485 -0.582 1.306) 2.867 18.438 ( -1.119 0.589 0.283) 1.296 18.463 ( -0.051 -1.876 -0.956) 2.106 18.704 ( 1.615 3.216 0.894) 3.708 18.779 ( -0.763 -3.218 0.305) 3.322 18.894 ( -3.199 3.568 1.352) 4.979 18.974 ( -2.419 -3.267 2.315) 4.678 19.017 ( 1.478 1.681 -1.870) 2.917 19.049 ( 1.611 -1.043 -1.062) 2.194 27.708 ( 0.127 1.657 0.087) 1.664 27.758 ( 0.126 -2.202 -0.936) 2.396 27.814 ( -0.064 1.301 0.767) 1.511 27.868 ( 0.156 -2.110 -0.837) 2.276 27.880 ( -0.332 0.699 -0.911) 1.195 27.913 ( -0.454 -2.290 -0.343) 2.360 27.977 ( -0.194 0.994 -0.042) 1.014 28.003 ( -0.193 -1.360 0.523) 1.469 29.033 ( -0.428 6.094 2.054) 6.445 29.133 ( -0.042 -3.241 0.631) 3.302 29.377 ( -2.603 6.752 2.315) 7.598 29.411 ( -4.394 3.040 0.877) 5.414 29.563 ( -1.476 0.596 0.787) 1.776 29.580 ( 0.294 0.928 0.542) 1.114 29.633 ( 0.969 -0.653 0.103) 1.173 29.652 ( -0.766 0.378 -1.347) 1.595 29.971 ( 2.301 1.087 5.352) 5.926 30.017 ( 0.317 -3.164 2.748) 4.203 30.324 ( -2.028 2.170 1.172) 3.193 30.390 ( -0.696 -3.934 0.224) 4.001 30.706 ( -2.487 10.181 0.241) 10.483 30.769 ( -0.944 1.984 -2.854) 3.602 30.871 ( -4.277 -0.816 -2.194) 4.876 30.982 ( -5.924 -6.448 0.625) 8.778 31.237 ( 7.391 5.957 -4.864) 10.667 31.432 ( 9.081 -10.344 -4.163) 14.381 31.840 ( -8.227 3.621 3.319) 9.582 31.941 ( -6.627 -5.486 0.107) 8.604 32.324 ( 3.306 6.566 2.020) 7.623 32.482 ( 4.291 -7.779 0.643) 8.907 32.850 ( 6.740 5.160 -4.917) 9.810 32.979 ( 3.665 -7.038 -3.762) 8.781 ======================= Grid point 50 (28/60) ======================= q-point: (-0.50 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -8.225 10.069 5.340) 14.055 1.614 ( -0.176 -1.278 4.958) 5.123 1.803 ( -1.643 8.874 -3.016) 9.515 1.881 ( -3.065 4.183 -5.569) 7.610 1.928 ( 0.237 -1.641 -5.703) 5.939 2.008 ( -0.129 -7.248 -3.145) 7.902 2.171 ( -5.601 -0.536 -7.601) 9.457 2.178 ( -1.935 -4.967 -7.761) 9.415 2.216 ( 2.728 4.869 3.688) 6.690 2.370 ( 2.722 -0.938 -0.004) 2.879 2.394 ( -0.743 1.937 5.563) 5.937 2.449 ( 4.870 7.432 10.174) 13.508 2.532 ( 1.535 -5.264 3.828) 6.688 2.576 ( -1.809 0.677 3.796) 4.259 2.670 ( -0.300 -2.875 2.533) 3.843 2.719 ( -3.771 -9.032 2.894) 10.206 2.863 ( 2.227 2.703 -0.655) 3.563 2.923 ( -0.576 -1.960 0.153) 2.048 3.030 ( -1.488 1.484 -3.928) 4.455 3.089 ( -0.473 -3.549 -4.455) 5.715 3.192 ( 5.420 2.846 -3.362) 6.985 3.218 ( 3.048 1.225 -5.025) 6.004 3.296 ( 3.389 4.782 -3.692) 6.927 3.358 ( 4.639 0.713 -5.637) 7.335 3.502 ( -2.139 2.398 1.781) 3.674 3.513 ( -0.650 2.301 1.937) 3.077 3.628 ( 4.810 2.541 5.741) 7.909 3.683 ( -1.699 5.648 0.865) 5.961 3.742 ( -1.220 2.464 0.898) 2.893 3.787 ( -3.111 -0.723 1.143) 3.392 3.897 ( 2.851 3.222 3.140) 5.327 3.997 ( -1.408 3.765 6.099) 7.304 4.033 ( 0.439 -6.141 2.544) 6.661 4.118 ( -7.339 7.853 4.472) 11.642 4.212 ( -1.509 -8.175 1.691) 8.484 4.304 ( -1.487 -1.254 9.072) 9.278 4.334 ( 0.197 -0.485 0.011) 0.524 4.441 ( 0.916 2.234 2.720) 3.637 4.476 ( -1.058 0.865 0.852) 1.610 4.510 ( -0.175 -6.538 3.917) 7.623 4.639 ( -0.219 4.913 2.872) 5.695 4.674 ( -0.310 6.117 3.899) 7.261 4.749 ( 1.006 1.997 1.232) 2.553 4.840 ( 2.577 4.256 -0.310) 4.985 4.963 ( 1.928 -8.861 -0.145) 9.069 5.055 ( 1.092 -12.309 2.228) 12.557 5.106 ( 0.482 -1.066 1.737) 2.094 5.139 ( 0.350 -1.087 -0.357) 1.197 5.258 ( -1.124 0.657 1.442) 1.942 5.285 ( -0.116 -1.090 2.387) 2.627 5.598 ( 1.340 3.562 -8.255) 9.090 5.692 ( 0.583 -3.404 -8.297) 8.987 5.760 ( 1.215 1.064 -5.739) 5.962 5.798 ( 1.295 -2.351 -7.942) 8.383 6.020 ( -1.393 3.464 2.441) 4.461 6.130 ( -1.744 -5.161 0.730) 5.497 6.625 ( 0.947 2.405 -0.808) 2.708 6.667 ( 1.910 -1.330 -1.252) 2.643 6.834 ( -1.109 5.139 -2.280) 5.730 6.875 ( -2.523 1.960 0.016) 3.195 7.127 ( -0.463 -0.997 1.282) 1.689 7.149 ( -1.382 -2.597 3.453) 4.536 7.332 ( -0.034 10.457 -1.055) 10.510 7.579 ( -0.235 -12.284 -2.005) 12.448 7.968 ( 0.253 4.291 -0.973) 4.408 8.020 ( 0.005 -0.136 -0.710) 0.723 8.105 ( 0.135 -1.326 -2.013) 2.414 8.141 ( -0.107 -4.829 -2.267) 5.335 8.723 ( -0.515 3.604 -0.587) 3.687 8.749 ( 0.893 1.527 -0.002) 1.769 8.768 ( 0.476 -1.707 0.331) 1.803 8.822 ( -0.395 -3.928 -0.479) 3.977 9.509 ( -1.273 0.319 0.438) 1.384 9.521 ( -1.312 -0.895 1.002) 1.878 9.689 ( 1.367 1.727 -0.961) 2.403 9.720 ( 2.405 -1.200 -0.345) 2.710 10.780 ( -0.039 2.978 0.173) 2.983 10.816 ( 0.380 -0.944 0.184) 1.034 10.862 ( -1.064 3.229 -0.314) 3.414 10.875 ( 0.272 -0.911 0.198) 0.971 10.914 ( 0.307 -1.912 0.770) 2.084 10.990 ( 0.481 -5.667 -0.352) 5.698 11.398 ( -0.130 3.190 -0.789) 3.289 11.432 ( 0.581 -0.136 -1.269) 1.402 11.648 ( -0.791 0.752 0.891) 1.409 11.660 ( -0.344 -0.221 1.323) 1.385 11.829 ( -0.187 1.639 -2.211) 2.759 11.873 ( -0.344 -2.189 -2.566) 3.390 12.723 ( 0.110 0.386 2.380) 2.414 12.731 ( 0.098 -0.378 2.936) 2.962 13.099 ( 0.325 2.565 -3.933) 4.706 13.154 ( 0.081 -2.561 -3.560) 4.386 14.316 ( -0.133 0.794 0.302) 0.860 14.331 ( -0.169 -0.433 0.349) 0.582 14.618 ( 0.086 1.730 -1.916) 2.583 14.656 ( -0.370 -1.724 -1.995) 2.662 14.910 ( -0.579 -0.121 0.561) 0.815 14.919 ( -0.754 -1.085 0.654) 1.474 15.061 ( 0.646 1.721 0.182) 1.847 15.088 ( 1.050 -0.631 -0.367) 1.279 15.529 ( 0.337 0.644 -1.841) 1.980 15.551 ( 0.175 -1.335 -2.663) 2.984 15.762 ( -0.654 1.322 1.103) 1.841 15.787 ( -0.356 -0.919 -0.440) 1.079 15.984 ( 0.565 2.481 2.526) 3.585 16.031 ( 0.264 -1.733 1.649) 2.407 16.177 ( -0.409 0.626 2.217) 2.340 16.200 ( -0.049 -1.418 1.145) 1.823 16.847 ( 0.365 1.393 0.959) 1.730 16.898 ( 0.330 -3.262 0.122) 3.281 17.125 ( -0.266 4.682 1.755) 5.007 17.188 ( -1.216 -0.925 0.008) 1.528 17.330 ( -1.875 -0.123 -0.517) 1.949 17.341 ( -1.162 -0.845 0.712) 1.603 17.384 ( 0.637 -0.292 0.476) 0.847 17.391 ( 1.468 -0.602 1.680) 2.311 18.420 ( -0.475 1.416 -0.302) 1.524 18.461 ( -0.079 -2.672 -1.569) 3.099 18.750 ( 2.459 1.895 1.735) 3.556 18.774 ( 0.207 -0.428 1.978) 2.034 18.839 ( -1.788 2.324 -0.272) 2.945 18.917 ( -2.669 -3.783 0.814) 4.701 19.049 ( 1.215 1.495 -0.770) 2.075 19.077 ( 1.059 -0.882 0.035) 1.379 27.711 ( 0.117 1.627 0.212) 1.645 27.760 ( 0.158 -2.173 -0.926) 2.368 27.812 ( -0.188 1.658 0.807) 1.853 27.872 ( 0.229 -0.557 -0.546) 0.813 27.875 ( -0.012 -1.200 -0.885) 1.491 27.901 ( -0.602 -2.370 -0.891) 2.603 27.976 ( 0.142 1.207 0.236) 1.238 28.006 ( 0.409 -1.579 0.617) 1.744 29.035 ( 0.379 6.217 2.136) 6.585 29.138 ( 0.473 -3.045 0.633) 3.146 29.326 ( -1.339 5.836 0.536) 6.012 29.368 ( -0.490 1.763 0.832) 2.010 29.543 ( -0.493 1.969 0.998) 2.262 29.596 ( 0.833 0.831 -0.090) 1.180 29.645 ( 0.284 0.325 0.021) 0.432 29.668 ( 1.759 -0.378 1.082) 2.099 30.033 ( 3.275 -0.649 7.582) 8.285 30.045 ( 2.082 -1.793 5.501) 6.149 30.289 ( -1.395 2.614 0.224) 2.971 30.376 ( -0.619 -5.308 -0.116) 5.345 30.661 ( -1.705 11.573 -1.535) 11.798 30.776 ( 1.313 2.656 -2.045) 3.601 30.829 ( 0.682 -2.351 -1.447) 2.844 30.874 ( -2.906 -7.600 -2.437) 8.493 31.398 ( 7.073 6.986 -4.643) 10.972 31.547 ( 1.487 -6.632 -4.951) 8.409 31.695 ( -5.833 2.978 2.018) 6.853 31.817 ( -4.312 -7.876 -0.154) 8.981 32.383 ( 1.833 6.759 4.298) 8.217 32.545 ( 1.577 -8.072 2.668) 8.646 32.927 ( 1.248 1.631 -6.541) 6.856 32.978 ( -3.090 -3.126 -4.112) 6.019 ======================= Grid point 51 (29/60) ======================= q-point: (-0.33 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -9.052 15.408 4.831) 18.512 1.522 ( -9.360 -2.324 8.903) 13.125 1.751 ( -3.729 5.357 -6.861) 9.470 1.828 ( 0.003 8.023 -7.319) 10.860 1.909 ( -0.593 -3.567 -5.923) 6.940 1.972 ( -9.779 -2.680 0.274) 10.143 2.060 ( -0.538 -2.740 0.487) 2.835 2.119 ( -2.807 -5.926 -7.837) 10.219 2.259 ( 0.335 -1.648 -4.521) 4.824 2.318 ( -3.107 -5.732 1.488) 6.687 2.443 ( 1.152 5.082 3.298) 6.167 2.489 ( -1.520 3.610 8.836) 9.665 2.549 ( 2.255 0.270 3.232) 3.951 2.609 ( 1.926 -2.937 0.740) 3.590 2.633 ( -1.575 -3.178 4.175) 5.478 2.726 ( 2.407 -3.793 5.158) 6.840 2.900 ( 3.456 4.490 -5.836) 8.134 2.941 ( 1.014 1.299 -0.668) 1.778 2.982 ( -1.580 5.236 -4.017) 6.786 3.072 ( -0.167 -3.981 -2.382) 4.642 3.242 ( -1.782 9.651 3.282) 10.348 3.309 ( -2.172 5.863 -1.685) 6.476 3.345 ( 5.033 -0.217 -0.008) 5.038 3.390 ( -0.156 -3.270 -1.636) 3.660 3.489 ( 2.686 1.937 -3.132) 4.558 3.507 ( -0.618 3.427 6.179) 7.093 3.598 ( 0.535 5.072 2.699) 5.770 3.700 ( 1.651 2.302 2.868) 4.031 3.732 ( -5.776 -5.153 1.380) 7.862 3.763 ( 1.356 -4.584 1.881) 5.137 3.891 ( -1.336 -1.406 4.403) 4.811 3.946 ( -3.880 -4.886 2.662) 6.783 4.071 ( 5.227 6.043 1.081) 8.062 4.137 ( 6.206 7.821 4.099) 10.792 4.219 ( 2.656 -4.083 -0.661) 4.915 4.297 ( -0.266 -4.447 2.699) 5.208 4.405 ( 5.457 4.552 -0.130) 7.108 4.436 ( -0.163 3.786 0.487) 3.821 4.472 ( 0.467 -2.678 5.604) 6.228 4.554 ( 2.305 -5.729 2.811) 6.785 4.651 ( 0.341 2.684 2.948) 4.001 4.685 ( 1.417 6.688 1.372) 6.972 4.775 ( 1.886 0.130 2.822) 3.397 4.899 ( 0.187 0.815 -2.818) 2.940 4.985 ( 2.661 1.364 0.946) 3.136 5.070 ( 1.294 -8.921 5.318) 10.467 5.128 ( -1.659 0.308 1.091) 2.010 5.162 ( 0.648 -2.588 0.817) 2.790 5.252 ( 0.241 -0.564 1.605) 1.718 5.322 ( 5.750 -5.700 0.459) 8.109 5.591 ( -1.257 3.083 -7.423) 8.136 5.674 ( -1.369 -3.431 -8.575) 9.337 5.767 ( 0.338 2.131 -5.571) 5.974 5.816 ( 0.771 -2.340 -6.743) 7.179 5.996 ( -1.034 3.173 2.905) 4.424 6.097 ( -1.475 -4.708 1.202) 5.078 6.621 ( -1.085 2.806 -0.930) 3.149 6.664 ( -2.154 -1.189 -0.992) 2.653 6.779 ( -3.830 4.164 -2.798) 6.312 6.833 ( -2.497 -0.405 -2.012) 3.233 7.094 ( -2.640 -0.353 1.261) 2.946 7.119 ( -0.177 -1.976 2.891) 3.506 7.304 ( -2.152 9.193 -0.942) 9.488 7.519 ( -5.217 -10.630 -2.307) 12.064 8.003 ( 2.050 3.910 -1.132) 4.557 8.034 ( 0.854 1.660 -0.384) 1.906 8.098 ( -1.473 -2.235 -3.165) 4.145 8.107 ( -1.541 -3.815 -0.962) 4.225 8.729 ( 0.852 3.583 -0.070) 3.684 8.776 ( 1.214 -0.096 -0.566) 1.343 8.795 ( 2.379 -0.980 0.884) 2.720 8.842 ( 2.320 -3.630 -1.094) 4.444 9.477 ( -1.655 0.306 -0.102) 1.686 9.490 ( -1.585 -0.946 0.186) 1.855 9.702 ( -0.168 2.743 0.212) 2.756 9.758 ( 1.157 -2.636 1.356) 3.182 10.783 ( 0.353 3.336 0.042) 3.355 10.831 ( 1.060 -0.974 0.676) 1.590 10.843 ( -0.604 2.544 -1.205) 2.879 10.886 ( 0.726 -2.276 0.176) 2.395 10.925 ( 0.664 -0.734 0.838) 1.297 10.995 ( 0.050 -5.388 0.253) 5.394 11.373 ( -2.104 3.075 -1.070) 3.877 11.403 ( -3.040 0.159 -0.898) 3.174 11.651 ( 0.818 1.148 0.498) 1.495 11.677 ( 1.830 -1.237 0.787) 2.345 11.827 ( 0.206 1.663 -2.474) 2.988 11.869 ( 0.192 -2.093 -2.820) 3.517 12.732 ( 0.556 0.496 2.537) 2.644 12.743 ( 0.905 -0.478 2.988) 3.158 13.102 ( 0.312 2.353 -3.823) 4.500 13.152 ( 0.041 -2.322 -3.485) 4.188 14.310 ( -0.443 0.744 0.202) 0.890 14.322 ( -0.614 -0.307 0.182) 0.710 14.629 ( 1.053 1.144 -1.948) 2.493 14.659 ( 0.811 -1.513 -2.410) 2.959 14.896 ( -0.737 -0.021 -0.028) 0.737 14.904 ( -0.702 -0.865 -0.227) 1.137 15.056 ( -1.126 1.916 0.704) 2.331 15.087 ( -1.103 -0.794 0.444) 1.430 15.544 ( 1.291 0.639 -1.713) 2.238 15.571 ( 1.904 -1.641 -2.781) 3.749 15.748 ( -0.847 1.462 1.085) 2.008 15.775 ( -0.802 -0.922 -0.131) 1.229 15.990 ( -0.231 1.851 2.480) 3.103 16.027 ( -0.699 -1.571 1.614) 2.358 16.163 ( -1.102 1.023 1.632) 2.219 16.193 ( -0.771 -1.618 1.040) 2.072 16.853 ( 0.175 1.611 1.087) 1.951 16.900 ( -0.068 -2.657 0.138) 2.662 17.109 ( -1.368 3.666 1.416) 4.161 17.158 ( -1.531 -0.967 -0.272) 1.831 17.297 ( -1.082 0.024 -0.137) 1.091 17.314 ( -1.243 -1.408 0.759) 2.026 17.412 ( 1.744 0.907 0.966) 2.190 17.434 ( 2.170 -0.955 1.997) 3.100 18.426 ( 1.134 0.967 -0.198) 1.504 18.458 ( -0.096 -2.338 -0.773) 2.464 18.739 ( -2.470 4.369 2.271) 5.508 18.808 ( 0.395 -1.871 1.227) 2.271 18.841 ( 2.174 1.690 -0.731) 2.848 18.896 ( 1.292 -3.109 -1.298) 3.608 19.060 ( -0.040 1.665 -0.012) 1.665 19.092 ( 0.510 -1.133 0.833) 1.496 27.712 ( 0.008 1.639 0.289) 1.664 27.762 ( 0.105 -2.095 -1.012) 2.329 27.809 ( -0.152 1.648 0.694) 1.794 27.873 ( 0.049 0.070 -1.227) 1.230 27.879 ( 0.090 -3.138 -0.255) 3.150 27.893 ( 0.112 -1.072 -0.976) 1.454 27.982 ( 0.346 1.475 0.495) 1.594 28.017 ( 0.572 -1.782 0.588) 1.961 29.049 ( 0.726 6.503 2.478) 6.997 29.150 ( 0.593 -2.295 0.836) 2.514 29.330 ( 1.472 4.742 0.648) 5.007 29.389 ( 2.338 -0.090 0.083) 2.341 29.540 ( 0.041 2.417 0.739) 2.527 29.601 ( -0.235 -1.641 0.720) 1.807 29.666 ( 1.927 3.602 0.494) 4.115 29.709 ( 2.291 -0.034 2.132) 3.130 30.105 ( 3.614 -1.137 6.393) 7.432 30.109 ( 2.987 -1.543 10.670) 11.187 30.280 ( 1.048 2.993 -1.063) 3.344 30.372 ( 0.466 -5.322 -0.731) 5.392 30.638 ( -0.848 9.644 -3.628) 10.339 30.787 ( -0.988 -2.797 -2.300) 3.754 30.839 ( 0.593 0.511 -3.212) 3.306 30.909 ( 4.657 -3.593 -1.727) 6.130 31.427 ( -3.540 0.651 0.664) 3.660 31.485 ( -6.738 -4.277 -3.574) 8.744 31.684 ( 7.065 5.900 -0.470) 9.216 31.825 ( 4.417 -6.989 -2.149) 8.543 32.395 ( -0.927 6.085 4.202) 7.453 32.539 ( -2.579 -7.217 3.230) 8.317 32.859 ( -8.017 0.469 -4.465) 9.189 32.886 ( -5.017 -2.224 -8.266) 9.922 ======================= Grid point 52 (30/60) ======================= q-point: (-0.17 0.40 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -3.554 18.512 8.383) 20.630 1.317 ( -9.340 10.727 7.949) 16.294 1.686 ( -9.701 -3.233 2.933) 10.638 1.699 ( -8.776 -6.906 1.984) 11.342 1.740 ( -3.769 5.880 -4.753) 8.448 1.957 ( 3.684 -9.106 -1.666) 9.963 2.046 ( 2.108 3.167 -4.112) 5.603 2.154 ( 5.581 -1.947 -6.395) 8.708 2.240 ( -0.913 0.185 -3.242) 3.373 2.330 ( 0.743 -2.969 -5.745) 6.509 2.456 ( 0.154 3.677 4.159) 5.553 2.517 ( 1.500 -3.273 -1.212) 3.799 2.529 ( -0.658 -1.157 3.321) 3.578 2.561 ( -1.306 -2.702 -0.261) 3.012 2.667 ( 0.104 6.197 4.246) 7.512 2.741 ( -0.704 1.326 6.510) 6.680 2.893 ( -4.801 11.440 2.607) 12.678 2.980 ( 0.470 3.471 -4.602) 5.783 3.022 ( 4.606 2.338 -3.952) 6.504 3.089 ( 2.373 -5.805 0.823) 6.325 3.142 ( -3.087 5.807 4.661) 8.061 3.308 ( -1.714 1.187 3.126) 3.757 3.341 ( -3.583 -5.512 5.048) 8.288 3.385 ( -2.197 -3.173 2.819) 4.779 3.483 ( -0.688 0.656 2.529) 2.702 3.564 ( -2.474 -3.038 1.300) 4.128 3.598 ( 1.723 0.516 -2.453) 3.041 3.646 ( -0.161 -3.402 0.793) 3.496 3.711 ( 1.391 3.896 5.141) 6.599 3.841 ( 3.587 -5.820 7.304) 10.004 3.911 ( 3.451 2.327 -2.244) 4.728 3.958 ( 4.811 -1.412 -4.749) 6.906 4.111 ( -0.088 7.751 3.812) 8.638 4.246 ( -0.122 -1.518 -0.922) 1.780 4.277 ( 2.412 2.717 2.242) 4.269 4.351 ( 6.430 1.732 -2.055) 6.969 4.427 ( 0.705 -0.509 3.121) 3.240 4.492 ( 1.819 -3.213 5.111) 6.305 4.561 ( 6.807 0.229 -0.232) 6.815 4.601 ( 2.602 0.184 0.283) 2.624 4.650 ( 1.089 3.696 1.897) 4.295 4.725 ( 1.214 3.374 -3.418) 4.954 4.812 ( -1.363 0.428 2.975) 3.300 4.863 ( 0.882 1.988 -2.231) 3.115 4.977 ( -4.709 -1.139 2.152) 5.301 5.057 ( -3.802 -7.535 7.636) 11.381 5.085 ( -3.342 2.899 1.797) 4.775 5.166 ( 1.323 -5.778 1.003) 6.012 5.321 ( 5.934 3.847 -3.329) 7.817 5.443 ( 4.811 -4.861 -2.211) 7.188 5.568 ( 0.297 1.761 -5.962) 6.223 5.647 ( -0.030 -4.517 -8.825) 9.914 5.771 ( 0.205 1.958 -6.249) 6.552 5.811 ( -0.730 -1.820 -6.051) 6.360 5.995 ( 1.003 3.047 4.952) 5.900 6.079 ( -0.298 -3.869 3.641) 5.321 6.595 ( -1.409 1.664 -1.552) 2.676 6.607 ( -1.994 0.524 -1.070) 2.323 6.681 ( -5.285 1.839 -1.732) 5.857 6.725 ( -7.822 -2.511 -2.616) 8.622 7.084 ( 2.487 4.155 1.552) 5.085 7.163 ( 3.330 -2.795 0.843) 4.429 7.261 ( -1.690 4.597 -0.998) 4.999 7.385 ( -7.343 -6.540 -1.453) 9.940 7.973 ( -3.604 1.877 0.090) 4.065 8.019 ( -3.917 -1.697 -1.207) 4.436 8.074 ( 1.973 3.139 -1.347) 3.945 8.125 ( 1.372 -1.897 -2.815) 3.661 8.741 ( 0.165 2.381 0.698) 2.486 8.790 ( 0.030 -1.890 1.889) 2.673 8.854 ( 3.184 0.944 -2.866) 4.387 8.904 ( 3.513 -2.987 -1.765) 4.938 9.454 ( -0.456 0.400 0.463) 0.763 9.469 ( -0.342 -1.085 0.517) 1.250 9.684 ( -1.530 3.198 0.769) 3.628 9.761 ( -1.235 -4.320 2.659) 5.221 10.791 ( 0.278 3.653 -0.082) 3.664 10.822 ( -0.854 3.735 -0.663) 3.888 10.868 ( 1.805 -2.786 0.044) 3.320 10.905 ( 1.053 -3.573 -0.439) 3.751 10.940 ( 0.771 -0.249 0.839) 1.166 10.991 ( -0.562 -4.515 0.811) 4.621 11.325 ( -2.354 1.639 -0.926) 3.015 11.334 ( -2.946 0.833 -1.031) 3.231 11.676 ( 1.476 1.860 -0.037) 2.375 11.717 ( 1.660 -2.166 0.544) 2.783 11.836 ( 0.943 1.608 -3.146) 3.656 11.875 ( 0.596 -1.907 -3.022) 3.623 12.744 ( 0.250 0.815 2.708) 2.839 12.767 ( 1.010 -1.189 2.701) 3.119 13.104 ( 0.146 2.133 -3.694) 4.268 13.149 ( -0.046 -2.096 -3.310) 3.919 14.301 ( -0.395 0.604 0.082) 0.726 14.310 ( -0.512 -0.199 0.031) 0.550 14.649 ( 0.999 1.106 -2.321) 2.758 14.683 ( 1.776 -1.902 -3.066) 4.022 14.884 ( -0.455 0.581 -0.563) 0.928 14.896 ( 0.142 -0.537 -0.817) 0.988 15.024 ( -1.920 1.601 1.228) 2.785 15.049 ( -2.597 -0.669 1.172) 2.927 15.574 ( 1.620 1.212 -1.677) 2.628 15.613 ( 2.113 -2.142 -2.921) 4.193 15.731 ( -0.873 1.421 1.240) 2.079 15.757 ( -0.818 -0.893 0.602) 1.353 15.980 ( -0.952 1.205 2.149) 2.642 16.010 ( -0.986 -1.510 1.622) 2.425 16.144 ( -0.583 1.249 0.596) 1.501 16.176 ( -0.804 -1.641 0.549) 1.908 16.861 ( 0.553 1.544 0.339) 1.675 16.892 ( -0.827 -1.177 -0.689) 1.595 17.080 ( -1.305 3.209 1.323) 3.708 17.133 ( -0.778 -1.842 0.235) 2.013 17.289 ( 0.167 0.185 0.912) 0.946 17.306 ( 0.498 -1.541 2.561) 3.030 17.449 ( 1.708 1.165 1.695) 2.674 17.470 ( 1.144 -0.780 2.603) 2.948 18.455 ( 0.781 -0.177 0.857) 1.173 18.460 ( 0.874 -0.620 0.706) 1.283 18.694 ( -1.804 5.010 0.139) 5.327 18.790 ( -0.749 -3.652 -1.912) 4.190 18.897 ( 2.417 2.091 0.074) 3.197 18.932 ( 1.316 -1.045 -0.194) 1.691 19.056 ( -0.077 2.101 -0.036) 2.103 19.102 ( 0.399 -2.063 0.752) 2.232 27.711 ( -0.126 1.691 0.255) 1.715 27.762 ( -0.012 -2.035 -1.086) 2.306 27.808 ( 0.020 1.287 0.548) 1.399 27.869 ( -0.180 -2.595 -1.682) 3.098 27.881 ( 0.259 0.070 -0.324) 0.421 27.903 ( 0.698 -1.347 -0.497) 1.596 27.988 ( 0.143 1.676 0.502) 1.756 28.026 ( 0.223 -1.834 0.487) 1.910 29.064 ( 0.406 6.533 2.682) 7.074 29.156 ( -0.221 -1.451 1.280) 1.948 29.371 ( 2.191 3.687 1.469) 4.533 29.444 ( 2.619 -2.127 0.706) 3.447 29.541 ( -0.077 2.544 0.663) 2.630 29.597 ( -0.225 -2.187 1.089) 2.454 29.716 ( 2.625 4.475 0.231) 5.193 29.772 ( 3.746 -0.208 2.166) 4.332 30.144 ( -0.721 1.532 5.909) 6.147 30.186 ( 2.747 -2.492 5.620) 6.734 30.343 ( 4.055 0.709 1.532) 4.392 30.392 ( 1.192 -3.335 -0.375) 3.561 30.586 ( -3.712 5.798 -4.500) 8.224 30.711 ( -4.524 -5.458 -3.572) 7.938 30.850 ( 0.656 7.128 -0.562) 7.181 31.000 ( 3.777 -5.067 -0.283) 6.326 31.322 ( -6.205 0.250 -2.676) 6.763 31.398 ( -0.931 -6.543 1.257) 6.727 31.912 ( 14.223 3.095 -0.060) 14.556 31.963 ( 9.258 -1.856 -1.470) 9.556 32.361 ( -2.304 3.771 1.722) 4.743 32.446 ( -6.644 -4.283 1.134) 7.986 32.676 ( -8.664 1.319 -3.493) 9.434 32.719 ( -10.198 -2.932 -8.282) 13.461 ======================= Grid point 65 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -9.738 0.000 19.882) 22.139 1.046 ( -7.047 0.000 26.862) 27.771 1.372 ( 7.391 0.000 -14.126) 15.943 1.648 ( 5.299 0.000 18.710) 19.446 1.942 ( -7.003 0.000 16.894) 18.288 2.082 ( -0.146 0.000 -6.832) 6.833 2.199 ( -0.777 0.000 -1.496) 1.686 2.243 ( -0.436 0.000 13.401) 13.408 2.276 ( 2.060 0.000 -3.881) 4.394 2.312 ( -1.034 0.000 10.497) 10.548 2.313 ( 8.276 0.000 -2.931) 8.780 2.393 ( -0.665 0.000 5.293) 5.335 2.469 ( 5.458 0.000 -5.353) 7.645 2.597 ( 5.749 0.000 -5.575) 8.008 2.688 ( -1.305 0.000 -0.862) 1.564 2.838 ( -6.937 0.000 1.663) 7.133 2.868 ( -0.410 0.000 0.403) 0.576 2.959 ( 0.876 0.000 -0.080) 0.880 3.094 ( -1.103 0.000 1.139) 1.585 3.097 ( -8.233 0.000 -3.115) 8.802 3.223 ( -3.475 0.000 0.089) 3.476 3.300 ( 0.017 0.000 -0.516) 0.516 3.379 ( 8.438 0.000 -0.426) 8.449 3.464 ( -3.845 0.000 6.382) 7.451 3.521 ( 4.225 0.000 -6.285) 7.573 3.574 ( -1.909 0.000 -0.959) 2.137 3.643 ( 6.555 0.000 5.796) 8.750 3.712 ( 4.141 0.000 -1.812) 4.520 3.753 ( -6.166 0.000 -13.042) 14.427 3.856 ( 5.154 0.000 3.399) 6.174 3.900 ( -5.516 0.000 -9.779) 11.228 3.942 ( -1.405 0.000 2.583) 2.941 4.045 ( 0.346 0.000 13.654) 13.659 4.136 ( -2.638 0.000 8.278) 8.688 4.160 ( -6.465 0.000 -8.988) 11.072 4.227 ( 8.050 0.000 -6.022) 10.053 4.296 ( 0.829 0.000 4.977) 5.046 4.401 ( -0.348 0.000 -5.048) 5.060 4.461 ( 3.722 0.000 7.428) 8.309 4.614 ( -2.234 0.000 0.007) 2.234 4.735 ( 7.516 0.000 2.227) 7.839 4.786 ( -4.402 0.000 1.473) 4.642 4.860 ( -8.223 0.000 2.213) 8.515 4.902 ( 0.561 0.000 9.922) 9.937 4.987 ( 2.633 0.000 4.237) 4.988 5.143 ( 0.649 0.000 -10.045) 10.066 5.263 ( -1.013 0.000 -2.588) 2.779 5.330 ( -1.325 0.000 -6.325) 6.463 5.334 ( -0.223 0.000 -1.788) 1.802 5.454 ( -2.100 0.000 0.795) 2.245 5.489 ( 2.993 0.000 -9.457) 9.919 5.680 ( 1.275 0.000 -5.146) 5.302 5.819 ( -0.299 0.000 0.746) 0.804 5.967 ( 6.766 0.000 -4.270) 8.000 6.166 ( -2.681 0.000 4.970) 5.646 6.200 ( 0.157 0.000 3.215) 3.219 6.421 ( 1.269 0.000 -3.076) 3.328 6.434 ( -2.749 0.000 -3.118) 4.157 6.492 ( -2.751 0.000 0.551) 2.805 6.578 ( 1.764 0.000 -3.141) 3.603 7.060 ( 0.133 0.000 2.795) 2.798 7.136 ( -0.824 0.000 -0.634) 1.040 7.318 ( 4.635 0.000 -1.320) 4.819 7.322 ( 0.970 0.000 -0.994) 1.389 7.849 ( -1.176 0.000 2.472) 2.738 7.916 ( 1.528 0.000 -0.869) 1.757 8.032 ( 1.322 0.000 2.804) 3.100 8.147 ( -0.955 0.000 -2.995) 3.143 8.640 ( 0.029 0.000 1.531) 1.531 8.731 ( -0.265 0.000 -2.986) 2.997 9.000 ( -1.256 0.000 1.151) 1.703 9.010 ( -0.135 0.000 0.511) 0.528 9.490 ( 1.066 0.000 1.879) 2.160 9.553 ( -0.336 0.000 -1.356) 1.397 9.623 ( 2.891 0.000 6.430) 7.049 9.930 ( -5.604 0.000 -8.533) 10.208 10.707 ( -0.984 0.000 -0.006) 0.984 10.722 ( 0.058 0.000 -0.506) 0.509 11.000 ( 0.605 0.000 1.927) 2.020 11.034 ( 2.261 0.000 0.324) 2.284 11.060 ( -1.830 0.000 -0.522) 1.903 11.090 ( -0.509 0.000 -1.589) 1.668 11.143 ( 0.280 0.000 1.752) 1.775 11.214 ( -0.082 0.000 -1.669) 1.671 11.655 ( -0.129 0.000 3.038) 3.041 11.756 ( -0.327 0.000 -2.058) 2.083 11.827 ( -2.583 0.000 -0.269) 2.597 11.878 ( 0.986 0.000 -2.929) 3.090 12.804 ( -0.713 0.000 5.089) 5.139 12.861 ( -0.178 0.000 5.980) 5.983 13.005 ( 0.554 0.000 -4.597) 4.630 13.113 ( 0.682 0.000 -6.433) 6.470 14.292 ( 1.152 0.000 0.090) 1.155 14.295 ( -0.262 0.000 -0.235) 0.351 14.637 ( -2.495 0.000 -0.195) 2.503 14.711 ( 2.472 0.000 -3.346) 4.161 14.856 ( -1.118 0.000 0.655) 1.295 14.900 ( 2.021 0.000 -1.511) 2.523 14.953 ( -2.230 0.000 1.148) 2.509 14.969 ( 1.627 0.000 0.149) 1.633 15.596 ( -2.805 0.000 -0.739) 2.901 15.601 ( 1.192 0.000 -0.981) 1.543 15.734 ( 0.721 0.000 0.496) 0.875 15.745 ( -0.369 0.000 0.692) 0.784 15.962 ( -2.297 0.000 1.758) 2.893 16.012 ( 0.499 0.000 -1.030) 1.144 16.200 ( 0.443 0.000 2.413) 2.454 16.224 ( -0.356 0.000 0.681) 0.769 16.846 ( -0.492 0.000 1.058) 1.167 16.890 ( 2.380 0.000 -1.149) 2.643 16.993 ( -0.506 0.000 3.356) 3.394 17.123 ( -0.464 0.000 -3.009) 3.045 17.326 ( 0.881 0.000 2.335) 2.496 17.416 ( -0.196 0.000 -1.687) 1.699 17.540 ( -1.613 0.000 3.363) 3.730 17.624 ( 2.288 0.000 -0.996) 2.495 18.480 ( -1.054 0.000 2.114) 2.362 18.509 ( 1.326 0.000 0.507) 1.419 18.544 ( 2.381 0.000 0.298) 2.399 18.644 ( -0.299 0.000 -4.476) 4.486 18.881 ( 2.086 0.000 1.675) 2.675 18.902 ( -1.620 0.000 0.407) 1.670 19.070 ( 1.789 0.000 1.463) 2.311 19.121 ( -3.292 0.000 -1.354) 3.560 27.704 ( -0.381 0.000 0.995) 1.066 27.748 ( 0.700 0.000 -1.118) 1.319 27.840 ( 0.186 0.000 0.250) 0.311 27.899 ( 0.012 0.000 -2.653) 2.653 27.943 ( 0.463 0.000 0.294) 0.548 27.968 ( -0.948 0.000 0.269) 0.986 28.000 ( 0.709 0.000 1.364) 1.537 28.061 ( -0.577 0.000 -0.636) 0.858 28.869 ( -0.333 0.000 2.864) 2.884 28.935 ( 0.062 0.000 -0.477) 0.481 29.388 ( -1.508 0.000 0.134) 1.514 29.395 ( 2.042 0.000 -0.784) 2.187 29.597 ( 0.355 0.000 -0.864) 0.934 29.607 ( -1.004 0.000 -1.416) 1.736 29.620 ( 4.868 0.000 4.676) 6.750 29.787 ( -16.655 0.000 -1.684) 16.740 29.963 ( 5.244 0.000 10.369) 11.619 30.333 ( -3.442 0.000 -6.389) 7.257 30.447 ( -3.800 0.000 3.910) 5.452 30.475 ( 5.270 0.000 0.085) 5.270 30.508 ( -1.081 0.000 4.109) 4.249 30.634 ( -5.378 0.000 9.859) 11.231 30.834 ( -5.401 0.000 -9.591) 11.007 31.055 ( -0.762 0.000 -11.572) 11.597 31.402 ( 3.809 0.000 6.921) 7.900 31.649 ( 2.068 0.000 -5.681) 6.045 32.081 ( 6.877 0.000 3.708) 7.813 32.219 ( -3.417 0.000 1.152) 3.606 32.239 ( -5.723 0.000 -4.377) 7.205 32.293 ( -3.908 0.000 -2.519) 4.649 32.553 ( -5.153 0.000 -0.255) 5.159 32.574 ( 20.523 0.000 -1.281) 20.563 ======================= Grid point 66 (32/60) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 18.761 0.000 8.968) 20.794 1.044 ( 5.130 0.000 22.027) 22.617 1.582 ( 12.646 0.000 -6.951) 14.430 1.851 ( 6.242 0.000 13.561) 14.929 1.934 ( 6.472 0.000 7.712) 10.068 2.056 ( -3.201 0.000 -5.011) 5.947 2.172 ( -1.463 0.000 -5.340) 5.537 2.234 ( 3.326 0.000 25.420) 25.637 2.283 ( -1.553 0.000 -2.483) 2.929 2.351 ( 0.079 0.000 -1.100) 1.103 2.377 ( -1.527 0.000 -0.745) 1.699 2.380 ( 2.859 0.000 3.156) 4.259 2.586 ( -7.931 0.000 -4.587) 9.162 2.601 ( 5.150 0.000 -2.893) 5.907 2.703 ( -5.259 0.000 6.348) 8.244 2.720 ( 5.365 0.000 -5.147) 7.434 2.853 ( 0.892 0.000 -7.472) 7.525 2.902 ( -7.646 0.000 -0.358) 7.654 2.968 ( -0.774 0.000 0.799) 1.112 3.081 ( -1.408 0.000 0.360) 1.453 3.092 ( -9.499 0.000 -1.540) 9.623 3.180 ( -6.570 0.000 0.961) 6.640 3.327 ( -15.146 0.000 9.329) 17.789 3.462 ( 0.740 0.000 -5.448) 5.498 3.490 ( 2.999 0.000 4.219) 5.176 3.633 ( -0.921 0.000 0.750) 1.188 3.688 ( -1.388 0.000 9.331) 9.434 3.768 ( -0.664 0.000 4.814) 4.859 3.772 ( -0.064 0.000 -3.863) 3.864 3.815 ( 7.957 0.000 -18.110) 19.781 3.901 ( -1.877 0.000 0.850) 2.060 4.006 ( -4.013 0.000 -6.089) 7.293 4.019 ( 1.807 0.000 1.412) 2.294 4.100 ( 4.738 0.000 2.550) 5.381 4.107 ( 1.522 0.000 4.847) 5.080 4.315 ( 1.368 0.000 5.470) 5.638 4.345 ( 0.305 0.000 -9.659) 9.664 4.427 ( 5.673 0.000 -2.636) 6.256 4.538 ( 2.921 0.000 7.447) 7.999 4.606 ( 1.998 0.000 -3.903) 4.385 4.697 ( -3.321 0.000 1.212) 3.535 4.747 ( -2.397 0.000 3.755) 4.455 4.773 ( -5.337 0.000 10.857) 12.098 4.930 ( 0.076 0.000 0.307) 0.316 5.039 ( 1.552 0.000 1.240) 1.986 5.061 ( -4.168 0.000 1.753) 4.522 5.222 ( -2.093 0.000 -1.949) 2.860 5.327 ( 1.485 0.000 -10.191) 10.298 5.340 ( -3.726 0.000 0.567) 3.769 5.412 ( -0.652 0.000 1.361) 1.509 5.528 ( 1.141 0.000 -4.676) 4.813 5.695 ( 0.734 0.000 -5.978) 6.023 5.809 ( -0.990 0.000 0.315) 1.039 5.839 ( -15.171 0.000 8.811) 17.544 6.052 ( 2.009 0.000 -3.634) 4.152 6.183 ( -1.226 0.000 0.158) 1.236 6.431 ( 1.034 0.000 -0.135) 1.043 6.515 ( 3.020 0.000 0.267) 3.032 6.572 ( 3.889 0.000 -4.110) 5.659 6.685 ( 8.918 0.000 -4.791) 10.123 7.027 ( -2.018 0.000 2.016) 2.853 7.121 ( -0.559 0.000 -0.540) 0.778 7.393 ( 2.403 0.000 0.974) 2.593 7.533 ( 14.436 0.000 -10.980) 18.137 7.848 ( 0.698 0.000 3.235) 3.310 8.030 ( 8.942 0.000 -6.463) 11.034 8.050 ( 0.219 0.000 3.244) 3.251 8.123 ( -1.054 0.000 -3.720) 3.867 8.636 ( -0.524 0.000 1.802) 1.877 8.721 ( -0.417 0.000 -3.010) 3.039 8.949 ( -3.469 0.000 2.456) 4.250 8.984 ( -2.328 0.000 0.705) 2.432 9.518 ( 1.251 0.000 1.548) 1.990 9.557 ( 0.742 0.000 -1.745) 1.896 9.671 ( 0.946 0.000 6.956) 7.020 9.754 ( -8.440 0.000 -3.920) 9.306 10.690 ( -0.501 0.000 0.836) 0.974 10.725 ( 0.247 0.000 -0.273) 0.368 10.999 ( -0.684 0.000 1.332) 1.498 11.000 ( -3.266 0.000 0.272) 3.277 11.075 ( 1.161 0.000 -0.127) 1.168 11.081 ( -0.279 0.000 -1.847) 1.868 11.172 ( 2.171 0.000 1.889) 2.878 11.241 ( 2.641 0.000 -1.973) 3.296 11.656 ( -0.005 0.000 2.888) 2.888 11.735 ( -1.642 0.000 1.279) 2.081 11.785 ( -0.627 0.000 -1.047) 1.220 11.889 ( 0.205 0.000 -2.895) 2.902 12.784 ( -1.440 0.000 4.322) 4.556 12.855 ( -0.804 0.000 6.348) 6.399 12.977 ( -1.948 0.000 -4.331) 4.749 13.127 ( 0.721 0.000 -7.352) 7.387 14.300 ( 0.756 0.000 -0.201) 0.782 14.319 ( 1.122 0.000 0.187) 1.138 14.592 ( -1.813 0.000 -0.095) 1.816 14.730 ( -1.197 0.000 -3.080) 3.305 14.850 ( 1.307 0.000 -0.187) 1.321 14.942 ( 2.358 0.000 -1.518) 2.804 14.948 ( 1.592 0.000 1.191) 1.988 15.016 ( 2.000 0.000 -0.144) 2.005 15.527 ( -3.147 0.000 0.076) 3.148 15.604 ( -0.874 0.000 -0.588) 1.053 15.748 ( 0.675 0.000 0.469) 0.822 15.767 ( 2.105 0.000 0.431) 2.149 15.929 ( -0.924 0.000 2.545) 2.707 16.025 ( 0.749 0.000 -0.399) 0.849 16.229 ( 1.782 0.000 2.529) 3.094 16.230 ( 0.820 0.000 0.590) 1.010 16.848 ( 0.587 0.000 0.895) 1.071 16.946 ( 2.607 0.000 -2.272) 3.458 17.002 ( 1.168 0.000 3.234) 3.439 17.119 ( 0.298 0.000 -2.223) 2.243 17.345 ( 0.878 0.000 1.614) 1.838 17.402 ( -0.930 0.000 -2.134) 2.328 17.486 ( -3.543 0.000 2.180) 4.160 17.566 ( -5.946 0.000 2.101) 6.307 18.456 ( -1.102 0.000 -1.276) 1.685 18.509 ( -1.440 0.000 1.106) 1.816 18.640 ( 0.366 0.000 -3.478) 3.497 18.657 ( 6.024 0.000 -1.655) 6.247 18.902 ( 1.490 0.000 -1.063) 1.831 18.950 ( 4.510 0.000 1.773) 4.846 19.035 ( -4.694 0.000 -0.995) 4.799 19.093 ( 0.192 0.000 2.364) 2.372 27.700 ( -0.070 0.000 0.910) 0.912 27.754 ( -0.017 0.000 -0.895) 0.896 27.842 ( 0.002 0.000 0.229) 0.229 27.893 ( -0.278 0.000 -2.443) 2.458 27.952 ( -0.605 0.000 0.589) 0.845 27.953 ( 0.354 0.000 0.139) 0.381 28.011 ( 0.327 0.000 1.140) 1.186 28.049 ( -0.480 0.000 -0.580) 0.753 28.861 ( -0.617 0.000 3.000) 3.063 28.935 ( 0.021 0.000 -0.511) 0.512 29.341 ( -2.885 0.000 0.238) 2.895 29.418 ( 0.228 0.000 -1.121) 1.144 29.473 ( -11.275 0.000 7.620) 13.608 29.581 ( -1.469 0.000 -1.318) 1.973 29.603 ( 0.077 0.000 0.824) 0.827 29.719 ( 3.899 0.000 5.725) 6.927 30.062 ( 3.426 0.000 9.121) 9.743 30.230 ( -5.297 0.000 -4.344) 6.851 30.293 ( -5.293 0.000 2.077) 5.686 30.499 ( -0.649 0.000 9.785) 9.806 30.548 ( 2.658 0.000 -0.258) 2.670 30.689 ( -7.118 0.000 -8.702) 11.243 30.737 ( 9.007 0.000 7.597) 11.783 31.034 ( -3.255 0.000 -4.916) 5.896 31.475 ( 4.577 0.000 -1.146) 4.718 31.497 ( -13.789 0.000 -5.950) 15.018 32.036 ( -8.729 0.000 1.052) 8.792 32.070 ( -6.334 0.000 -2.208) 6.708 32.272 ( 6.577 0.000 6.122) 8.985 32.386 ( 9.236 0.000 -4.412) 10.235 32.560 ( 5.354 0.000 -0.963) 5.440 32.968 ( 13.415 0.000 -10.738) 17.183 ======================= Grid point 67 (33/60) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 12.802 0.000 11.239) 17.035 1.268 ( 22.092 0.000 -1.571) 22.147 1.784 ( 6.696 0.000 -1.320) 6.825 1.804 ( -10.598 0.000 13.909) 17.487 1.994 ( 2.942 0.000 0.485) 2.982 2.103 ( 7.166 0.000 -2.870) 7.719 2.144 ( -3.847 0.000 -3.260) 5.042 2.170 ( -6.629 0.000 0.039) 6.629 2.244 ( -11.190 0.000 3.134) 11.621 2.327 ( -2.099 0.000 -0.427) 2.142 2.451 ( 6.813 0.000 7.872) 10.410 2.460 ( -2.929 0.000 -6.505) 7.134 2.495 ( 7.478 0.000 -1.552) 7.638 2.633 ( 1.361 0.000 2.684) 3.009 2.687 ( 1.399 0.000 -0.966) 1.700 2.707 ( -2.513 0.000 3.779) 4.538 2.801 ( -11.931 0.000 2.718) 12.236 2.812 ( -5.094 0.000 3.162) 5.996 2.946 ( 1.982 0.000 -6.115) 6.428 3.008 ( 3.781 0.000 -1.914) 4.238 3.024 ( 4.887 0.000 -10.365) 11.459 3.120 ( -0.511 0.000 0.512) 0.724 3.148 ( -3.932 0.000 1.146) 4.096 3.475 ( -3.841 0.000 4.214) 5.702 3.537 ( 6.330 0.000 -2.919) 6.971 3.595 ( -0.178 0.000 2.099) 2.106 3.628 ( -3.830 0.000 10.260) 10.952 3.691 ( -6.189 0.000 -8.872) 10.818 3.771 ( -2.653 0.000 4.952) 5.618 3.896 ( 0.012 0.000 -1.151) 1.151 3.905 ( -2.287 0.000 7.777) 8.107 3.908 ( -1.389 0.000 3.147) 3.440 4.063 ( 2.797 0.000 6.091) 6.703 4.127 ( 3.775 0.000 -10.112) 10.793 4.209 ( -0.434 0.000 2.711) 2.745 4.316 ( -0.985 0.000 -8.046) 8.106 4.350 ( 0.178 0.000 2.747) 2.753 4.487 ( -1.337 0.000 -3.959) 4.179 4.589 ( 2.220 0.000 8.881) 9.155 4.642 ( -7.026 0.000 9.355) 11.699 4.680 ( 2.824 0.000 -7.298) 7.826 4.696 ( 4.262 0.000 1.429) 4.495 4.763 ( 4.510 0.000 0.389) 4.526 4.799 ( -9.712 0.000 4.045) 10.520 4.997 ( -5.880 0.000 8.447) 10.292 5.073 ( 2.350 0.000 -1.989) 3.079 5.189 ( -2.124 0.000 -2.206) 3.062 5.264 ( 0.985 0.000 7.429) 7.495 5.357 ( 1.711 0.000 -8.976) 9.138 5.427 ( 2.359 0.000 3.575) 4.284 5.534 ( 0.354 0.000 -4.103) 4.119 5.695 ( -0.381 0.000 -6.347) 6.358 5.708 ( -1.202 0.000 3.491) 3.692 5.771 ( -2.745 0.000 -0.206) 2.753 6.068 ( 0.274 0.000 -3.627) 3.637 6.160 ( -1.246 0.000 -2.086) 2.430 6.482 ( 4.041 0.000 -1.510) 4.314 6.580 ( 3.337 0.000 1.425) 3.628 6.601 ( 0.069 0.000 -1.689) 1.690 6.789 ( 0.402 0.000 -2.238) 2.274 7.044 ( 4.458 0.000 -3.193) 5.484 7.102 ( -1.701 0.000 0.388) 1.745 7.413 ( -0.592 0.000 5.855) 5.885 7.740 ( 6.697 0.000 -11.720) 13.498 7.869 ( 0.787 0.000 4.057) 4.132 8.044 ( -1.156 0.000 3.784) 3.957 8.098 ( -0.597 0.000 -3.918) 3.964 8.178 ( 4.815 0.000 -11.328) 12.309 8.625 ( -0.637 0.000 1.852) 1.959 8.708 ( -0.612 0.000 -2.490) 2.564 8.887 ( -2.400 0.000 3.036) 3.870 8.934 ( -2.175 0.000 0.365) 2.205 9.533 ( -0.018 0.000 1.294) 1.294 9.568 ( 0.473 0.000 -2.318) 2.366 9.668 ( -1.635 0.000 5.444) 5.685 9.676 ( 0.895 0.000 -1.854) 2.059 10.688 ( 0.172 0.000 0.990) 1.005 10.730 ( 0.227 0.000 -0.253) 0.340 10.941 ( -2.389 0.000 1.331) 2.735 10.986 ( -0.530 0.000 0.488) 0.720 11.073 ( -0.266 0.000 -1.799) 1.819 11.084 ( -0.122 0.000 -0.824) 0.833 11.218 ( 1.859 0.000 2.527) 3.137 11.304 ( 3.337 0.000 -2.275) 4.038 11.659 ( 0.082 0.000 2.721) 2.723 11.709 ( -1.069 0.000 2.765) 2.964 11.783 ( 0.095 0.000 -2.175) 2.177 11.880 ( -0.743 0.000 -3.596) 3.672 12.763 ( -0.859 0.000 3.687) 3.785 12.845 ( -0.643 0.000 6.519) 6.551 12.943 ( -0.909 0.000 -5.041) 5.122 13.127 ( 0.044 0.000 -7.191) 7.191 14.319 ( 0.905 0.000 0.221) 0.931 14.333 ( 0.156 0.000 0.858) 0.872 14.562 ( -1.030 0.000 -0.268) 1.065 14.680 ( -2.580 0.000 -3.052) 3.997 14.895 ( 2.411 0.000 -0.160) 2.416 14.982 ( 1.318 0.000 -1.448) 1.958 14.999 ( 2.891 0.000 0.636) 2.961 15.035 ( 0.075 0.000 0.701) 0.705 15.489 ( -0.443 0.000 -0.599) 0.745 15.571 ( -2.090 0.000 -1.189) 2.404 15.766 ( 0.885 0.000 0.904) 1.265 15.796 ( 0.377 0.000 0.091) 0.388 15.933 ( 1.061 0.000 2.815) 3.008 16.037 ( 0.323 0.000 -0.302) 0.442 16.250 ( 0.944 0.000 0.788) 1.230 16.259 ( 0.811 0.000 2.498) 2.626 16.867 ( 1.100 0.000 1.351) 1.742 16.976 ( 0.609 0.000 -0.731) 0.951 17.033 ( 1.175 0.000 2.345) 2.622 17.129 ( 0.701 0.000 -1.021) 1.239 17.364 ( 0.807 0.000 0.169) 0.825 17.384 ( -0.460 0.000 -2.411) 2.455 17.421 ( -2.482 0.000 0.887) 2.636 17.455 ( -4.752 0.000 3.191) 5.723 18.449 ( 0.725 0.000 -3.177) 3.259 18.456 ( -3.408 0.000 1.319) 3.654 18.665 ( 2.134 0.000 -1.049) 2.378 18.733 ( 1.869 0.000 -0.485) 1.931 18.935 ( 1.307 0.000 -2.142) 2.510 18.942 ( -4.254 0.000 -0.307) 4.265 19.040 ( 3.728 0.000 0.730) 3.799 19.086 ( -0.810 0.000 2.373) 2.508 27.703 ( 0.271 0.000 0.984) 1.020 27.748 ( -0.477 0.000 -0.021) 0.477 27.841 ( -0.136 0.000 0.271) 0.304 27.887 ( -0.100 0.000 -2.314) 2.316 27.945 ( -0.226 0.000 0.876) 0.905 27.954 ( -0.270 0.000 -0.103) 0.289 28.016 ( 0.064 0.000 0.716) 0.719 28.046 ( 0.243 0.000 -0.560) 0.610 28.856 ( -0.090 0.000 2.983) 2.985 28.937 ( 0.250 0.000 -0.777) 0.816 29.286 ( -2.264 0.000 0.769) 2.391 29.331 ( -3.956 0.000 3.296) 5.150 29.429 ( 0.740 0.000 1.205) 1.414 29.546 ( -1.755 0.000 -1.492) 2.303 29.623 ( 1.686 0.000 2.103) 2.696 29.762 ( -0.323 0.000 3.843) 3.857 30.125 ( 2.872 0.000 7.389) 7.927 30.159 ( -1.133 0.000 -0.747) 1.357 30.259 ( 0.709 0.000 0.620) 0.942 30.486 ( -1.597 0.000 10.470) 10.591 30.543 ( -4.906 0.000 -5.070) 7.055 30.624 ( 3.695 0.000 -2.048) 4.225 30.926 ( -5.454 0.000 -1.734) 5.723 30.935 ( 9.030 0.000 6.500) 11.126 31.204 ( -12.921 0.000 -6.021) 14.255 31.542 ( 0.930 0.000 -9.338) 9.385 31.892 ( -6.140 0.000 3.572) 7.104 31.981 ( -1.632 0.000 -4.305) 4.604 32.369 ( 2.497 0.000 6.921) 7.357 32.574 ( 8.831 0.000 -7.872) 11.830 32.702 ( 7.255 0.000 2.032) 7.534 33.088 ( 0.556 0.000 -8.265) 8.283 ======================= Grid point 68 (34/60) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -11.234 0.000 10.088) 15.098 1.451 ( 2.956 0.000 -1.228) 3.201 1.818 ( -8.666 0.000 5.907) 10.488 1.850 ( 17.053 0.000 -0.038) 17.053 1.974 ( -5.159 0.000 4.303) 6.718 2.034 ( 0.373 0.000 4.365) 4.381 2.068 ( 2.138 0.000 0.189) 2.146 2.173 ( 1.200 0.000 1.931) 2.273 2.216 ( 5.588 0.000 -9.019) 10.609 2.302 ( -5.721 0.000 -4.187) 7.089 2.397 ( 1.521 0.000 -8.179) 8.319 2.402 ( -3.698 0.000 -5.452) 6.587 2.479 ( -12.213 0.000 9.801) 15.660 2.588 ( -1.789 0.000 7.449) 7.661 2.698 ( -0.590 0.000 -1.068) 1.220 2.736 ( 1.565 0.000 1.456) 2.138 2.784 ( 8.088 0.000 0.580) 8.109 2.790 ( -0.297 0.000 0.638) 0.704 3.028 ( 3.169 0.000 -12.522) 12.916 3.057 ( -0.286 0.000 2.272) 2.290 3.108 ( -0.579 0.000 -1.304) 1.426 3.140 ( 5.181 0.000 -14.290) 15.200 3.176 ( 9.297 0.000 2.191) 9.552 3.473 ( -1.026 0.000 3.823) 3.959 3.521 ( -3.359 0.000 -6.704) 7.499 3.525 ( -14.346 0.000 15.932) 21.439 3.621 ( -2.459 0.000 -0.047) 2.459 3.668 ( 8.841 0.000 5.185) 10.249 3.734 ( 9.699 0.000 -0.139) 9.700 3.826 ( -7.555 0.000 3.700) 8.412 3.846 ( -0.497 0.000 -2.522) 2.571 3.971 ( 1.864 0.000 7.762) 7.983 4.100 ( -1.680 0.000 -0.506) 1.755 4.116 ( -4.483 0.000 9.713) 10.698 4.178 ( 2.111 0.000 -0.300) 2.132 4.312 ( 0.809 0.000 -6.627) 6.676 4.336 ( -1.054 0.000 5.068) 5.176 4.426 ( -2.449 0.000 -3.350) 4.150 4.515 ( -6.905 0.000 5.029) 8.542 4.642 ( -2.652 0.000 6.686) 7.193 4.663 ( 1.625 0.000 8.532) 8.685 4.677 ( -1.409 0.000 -0.868) 1.655 4.791 ( 3.074 0.000 -0.062) 3.075 4.902 ( 7.274 0.000 -7.644) 10.552 4.912 ( -3.144 0.000 9.939) 10.425 5.106 ( -3.193 0.000 -0.719) 3.273 5.115 ( 1.167 0.000 -1.737) 2.093 5.375 ( 1.183 0.000 -6.324) 6.434 5.375 ( 6.092 0.000 6.088) 8.613 5.505 ( 4.031 0.000 1.496) 4.299 5.545 ( 0.457 0.000 -5.999) 6.016 5.673 ( -1.182 0.000 -7.528) 7.621 5.702 ( -0.242 0.000 2.310) 2.323 5.725 ( -0.488 0.000 -1.605) 1.677 6.063 ( -0.576 0.000 -2.664) 2.725 6.125 ( -1.809 0.000 -2.593) 3.162 6.554 ( 1.659 0.000 -1.407) 2.176 6.587 ( -0.992 0.000 -2.339) 2.541 6.652 ( 3.700 0.000 1.157) 3.877 6.748 ( -2.809 0.000 -1.126) 3.026 7.054 ( -2.525 0.000 0.171) 2.531 7.134 ( 3.085 0.000 -4.550) 5.497 7.381 ( -3.179 0.000 9.934) 10.430 7.778 ( -1.824 0.000 -11.209) 11.356 7.888 ( 1.065 0.000 3.929) 4.071 8.011 ( -2.323 0.000 3.973) 4.602 8.096 ( 0.622 0.000 -4.391) 4.435 8.210 ( -0.370 0.000 -8.453) 8.461 8.619 ( -0.078 0.000 1.653) 1.655 8.704 ( 0.600 0.000 -2.279) 2.356 8.872 ( 0.786 0.000 2.337) 2.466 8.913 ( 0.201 0.000 -0.077) 0.215 9.518 ( -1.403 0.000 1.093) 1.779 9.582 ( 0.866 0.000 -2.232) 2.394 9.623 ( -2.886 0.000 3.622) 4.631 9.738 ( 4.601 0.000 -1.673) 4.896 10.696 ( 0.481 0.000 1.011) 1.120 10.731 ( -0.108 0.000 -0.562) 0.572 10.915 ( -0.204 0.000 2.267) 2.276 10.977 ( -0.453 0.000 -0.135) 0.472 11.074 ( 0.521 0.000 -1.237) 1.342 11.075 ( -0.462 0.000 -1.374) 1.450 11.239 ( -0.182 0.000 2.738) 2.745 11.348 ( 0.749 0.000 -2.778) 2.877 11.662 ( -0.042 0.000 2.704) 2.704 11.703 ( 0.598 0.000 3.155) 3.212 11.780 ( -0.114 0.000 -2.307) 2.310 11.862 ( -0.506 0.000 -4.063) 4.095 12.759 ( 0.213 0.000 3.468) 3.474 12.841 ( -0.222 0.000 6.585) 6.588 12.933 ( 0.253 0.000 -5.578) 5.584 13.122 ( 0.048 0.000 -6.931) 6.932 14.327 ( -0.792 0.000 1.258) 1.487 14.330 ( 0.007 0.000 0.547) 0.547 14.559 ( 0.916 0.000 -0.225) 0.944 14.641 ( -0.848 0.000 -3.259) 3.367 14.929 ( 0.709 0.000 0.526) 0.883 14.981 ( -1.149 0.000 -1.896) 2.217 15.029 ( -0.806 0.000 1.039) 1.315 15.047 ( 1.549 0.000 0.303) 1.579 15.508 ( 2.195 0.000 -0.935) 2.386 15.533 ( -1.113 0.000 -2.159) 2.429 15.779 ( 0.183 0.000 1.543) 1.554 15.787 ( -1.057 0.000 0.185) 1.073 15.966 ( 1.656 0.000 2.933) 3.368 16.034 ( -0.497 0.000 -0.894) 1.023 16.262 ( -0.682 0.000 2.262) 2.363 16.265 ( 0.320 0.000 1.108) 1.154 16.887 ( 0.524 0.000 2.087) 2.152 16.968 ( -1.353 0.000 -1.467) 1.996 17.047 ( -0.020 0.000 3.658) 3.658 17.141 ( 0.475 0.000 -0.490) 0.682 17.347 ( -1.941 0.000 -0.341) 1.971 17.375 ( -0.845 0.000 0.426) 0.946 17.397 ( -0.617 0.000 -0.080) 0.623 17.428 ( 2.529 0.000 0.302) 2.547 18.401 ( -1.658 0.000 0.873) 1.874 18.478 ( 2.196 0.000 -3.685) 4.290 18.707 ( 1.545 0.000 0.824) 1.751 18.735 ( -1.758 0.000 -0.462) 1.818 18.874 ( -2.297 0.000 1.096) 2.545 18.941 ( -0.260 0.000 -2.052) 2.068 19.072 ( -0.834 0.000 1.448) 1.671 19.097 ( 2.062 0.000 0.841) 2.227 27.711 ( 0.322 0.000 1.185) 1.228 27.738 ( -0.484 0.000 0.259) 0.549 27.838 ( -0.205 0.000 0.257) 0.329 27.886 ( 0.139 0.000 -2.162) 2.167 27.945 ( -0.441 0.000 -0.177) 0.475 27.946 ( 0.339 0.000 1.059) 1.112 28.015 ( -0.258 0.000 0.331) 0.420 28.055 ( 0.603 0.000 -0.643) 0.882 28.859 ( 0.110 0.000 2.893) 2.896 28.941 ( 0.079 0.000 -1.029) 1.032 29.266 ( 0.523 0.000 1.349) 1.446 29.288 ( -0.719 0.000 0.712) 1.012 29.463 ( 2.497 0.000 0.778) 2.615 29.516 ( -0.908 0.000 -1.472) 1.730 29.666 ( 2.363 0.000 4.274) 4.884 29.727 ( -2.690 0.000 0.894) 2.835 30.167 ( 1.359 0.000 1.184) 1.802 30.196 ( 3.106 0.000 1.513) 3.455 30.296 ( 2.610 0.000 3.174) 4.109 30.454 ( -2.140 0.000 10.974) 11.180 30.457 ( -3.022 0.000 -5.155) 5.975 30.733 ( 6.874 0.000 -1.510) 7.038 30.873 ( 1.020 0.000 0.112) 1.026 30.951 ( -6.030 0.000 -1.125) 6.134 31.153 ( 6.894 0.000 0.195) 6.896 31.488 ( -4.695 0.000 -13.444) 14.240 31.794 ( -3.804 0.000 5.661) 6.820 31.973 ( 0.170 0.000 -4.200) 4.203 32.390 ( -0.835 0.000 6.715) 6.767 32.701 ( 4.273 0.000 -10.871) 11.681 32.813 ( 3.006 0.000 4.314) 5.258 33.015 ( -6.727 0.000 -5.226) 8.518 ======================= Grid point 69 (35/60) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -12.763 0.000 17.052) 21.299 1.399 ( -4.440 0.000 -10.199) 11.124 1.546 ( -16.050 0.000 14.742) 21.793 1.927 ( 3.297 0.000 1.983) 3.847 2.039 ( -2.271 0.000 4.788) 5.299 2.088 ( -3.657 0.000 -10.595) 11.209 2.196 ( 0.190 0.000 -0.913) 0.932 2.216 ( 2.847 0.000 1.416) 3.180 2.230 ( 3.491 0.000 5.751) 6.727 2.286 ( -2.194 0.000 -1.274) 2.538 2.362 ( 3.859 0.000 -3.737) 5.372 2.388 ( 9.376 0.000 -1.168) 9.448 2.446 ( -0.570 0.000 -2.618) 2.680 2.519 ( -7.661 0.000 6.851) 10.278 2.620 ( -3.735 0.000 -0.172) 3.739 2.745 ( -0.622 0.000 3.025) 3.088 2.748 ( 0.606 0.000 1.309) 1.443 2.930 ( 4.677 0.000 0.668) 4.724 2.951 ( -4.820 0.000 1.253) 4.980 3.101 ( 0.374 0.000 1.307) 1.360 3.127 ( 1.233 0.000 6.056) 6.181 3.209 ( 3.117 0.000 -9.314) 9.822 3.324 ( 6.826 0.000 -3.439) 7.643 3.435 ( 7.596 0.000 9.927) 12.500 3.442 ( -4.268 0.000 -9.262) 10.198 3.496 ( 3.995 0.000 0.395) 4.015 3.603 ( 2.185 0.000 -1.810) 2.837 3.635 ( -9.556 0.000 2.544) 9.889 3.842 ( 2.747 0.000 0.472) 2.787 3.922 ( 8.697 0.000 0.535) 8.713 3.928 ( 1.572 0.000 -2.701) 3.125 3.952 ( -2.902 0.000 6.929) 7.512 4.054 ( 2.241 0.000 -4.108) 4.680 4.086 ( -0.903 0.000 9.600) 9.642 4.186 ( -2.404 0.000 -1.262) 2.715 4.293 ( -1.716 0.000 -9.888) 10.035 4.310 ( -2.101 0.000 6.610) 6.936 4.384 ( -4.646 0.000 7.212) 8.579 4.435 ( 2.426 0.000 -0.162) 2.431 4.603 ( -1.024 0.000 6.079) 6.165 4.644 ( -1.253 0.000 2.827) 3.093 4.778 ( 7.375 0.000 6.906) 10.104 4.802 ( -1.339 0.000 1.087) 1.725 4.882 ( 0.359 0.000 4.763) 4.776 4.992 ( 1.933 0.000 -4.517) 4.913 5.102 ( 2.902 0.000 -1.592) 3.310 5.104 ( -1.928 0.000 -0.420) 1.974 5.403 ( 1.777 0.000 -7.665) 7.869 5.460 ( 0.984 0.000 3.459) 3.596 5.513 ( -3.320 0.000 -4.057) 5.242 5.548 ( -0.363 0.000 1.590) 1.631 5.642 ( -0.536 0.000 -7.538) 7.557 5.716 ( 2.212 0.000 4.500) 5.014 5.770 ( 3.800 0.000 -3.600) 5.234 6.044 ( -0.914 0.000 -0.172) 0.930 6.104 ( 0.538 0.000 -1.842) 1.919 6.520 ( -4.451 0.000 1.121) 4.591 6.568 ( -0.572 0.000 -3.728) 3.772 6.687 ( -1.473 0.000 -0.248) 1.494 6.704 ( -1.359 0.000 -3.402) 3.663 7.047 ( 2.689 0.000 -2.077) 3.398 7.138 ( -2.200 0.000 -2.538) 3.358 7.310 ( -4.245 0.000 9.852) 10.728 7.671 ( -7.567 0.000 -9.454) 12.109 7.917 ( 0.555 0.000 3.211) 3.259 7.970 ( -1.102 0.000 3.562) 3.729 8.079 ( -3.391 0.000 -5.542) 6.497 8.177 ( -1.182 0.000 -3.692) 3.877 8.624 ( 0.408 0.000 1.492) 1.547 8.723 ( 1.121 0.000 -2.957) 3.162 8.920 ( 3.504 0.000 1.606) 3.854 8.940 ( 2.288 0.000 -0.176) 2.295 9.489 ( -1.305 0.000 1.440) 1.944 9.575 ( -1.818 0.000 2.690) 3.247 9.587 ( -0.333 0.000 -1.536) 1.572 9.842 ( 5.742 0.000 -2.348) 6.203 10.707 ( 0.570 0.000 0.827) 1.004 10.726 ( -0.213 0.000 -0.709) 0.741 10.934 ( 1.762 0.000 2.133) 2.767 10.970 ( -0.061 0.000 0.044) 0.075 11.068 ( -0.030 0.000 -1.455) 1.455 11.089 ( 0.831 0.000 -0.892) 1.219 11.216 ( -2.099 0.000 2.252) 3.079 11.321 ( -2.973 0.000 -2.409) 3.826 11.661 ( -0.298 0.000 2.861) 2.877 11.743 ( 2.616 0.000 1.153) 2.859 11.780 ( 0.661 0.000 -0.981) 1.182 11.856 ( 0.172 0.000 -3.885) 3.888 12.775 ( 1.046 0.000 3.761) 3.904 12.846 ( 0.085 0.000 6.457) 6.458 12.941 ( 1.019 0.000 -5.508) 5.602 13.119 ( 0.199 0.000 -6.671) 6.674 14.306 ( -1.202 0.000 1.030) 1.583 14.322 ( -0.670 0.000 0.562) 0.874 14.599 ( 2.853 0.000 -0.005) 2.853 14.640 ( 0.850 0.000 -3.233) 3.343 14.921 ( -1.432 0.000 1.016) 1.756 14.941 ( -2.551 0.000 -2.465) 3.547 15.004 ( -1.632 0.000 0.378) 1.675 15.052 ( -1.063 0.000 0.486) 1.169 15.532 ( 1.162 0.000 -2.601) 2.848 15.563 ( 3.035 0.000 -0.819) 3.144 15.763 ( -1.229 0.000 0.302) 1.265 15.775 ( -0.685 0.000 1.944) 2.061 15.994 ( 0.821 0.000 2.478) 2.610 16.019 ( -0.703 0.000 -1.626) 1.772 16.241 ( -1.407 0.000 2.035) 2.474 16.262 ( -0.707 0.000 1.338) 1.514 16.886 ( -0.813 0.000 2.318) 2.457 16.924 ( -2.625 0.000 -1.844) 3.208 17.038 ( -1.136 0.000 3.749) 3.918 17.146 ( 0.012 0.000 -1.235) 1.235 17.315 ( -1.034 0.000 0.345) 1.090 17.382 ( 2.033 0.000 2.616) 3.313 17.406 ( 1.246 0.000 -1.262) 1.774 17.489 ( 3.081 0.000 1.110) 3.275 18.402 ( 1.691 0.000 0.059) 1.692 18.518 ( 1.729 0.000 -2.603) 3.125 18.664 ( -4.923 0.000 -1.519) 5.152 18.712 ( -1.245 0.000 0.619) 1.390 18.851 ( -0.379 0.000 2.259) 2.291 18.943 ( 0.775 0.000 -0.771) 1.093 19.048 ( -1.585 0.000 0.389) 1.632 19.133 ( 1.596 0.000 0.566) 1.694 27.715 ( -0.022 0.000 1.306) 1.306 27.731 ( -0.133 0.000 0.074) 0.152 27.835 ( -0.077 0.000 0.213) 0.227 27.889 ( 0.374 0.000 -2.117) 2.150 27.938 ( -0.219 0.000 -0.045) 0.224 27.960 ( 0.914 0.000 1.186) 1.497 28.005 ( -0.699 0.000 0.140) 0.713 28.065 ( 0.438 0.000 -0.731) 0.852 28.864 ( 0.127 0.000 2.851) 2.853 28.937 ( -0.226 0.000 -0.936) 0.963 29.299 ( 1.684 0.000 -0.283) 1.708 29.311 ( 3.455 0.000 1.570) 3.795 29.512 ( 0.556 0.000 -1.026) 1.167 29.522 ( 3.089 0.000 -0.220) 3.096 29.673 ( -2.475 0.000 -0.571) 2.540 29.729 ( 3.686 0.000 6.825) 7.756 30.204 ( -3.173 0.000 -2.546) 4.069 30.215 ( 3.730 0.000 0.397) 3.751 30.350 ( 2.188 0.000 3.084) 3.781 30.410 ( -1.317 0.000 -5.632) 5.784 30.454 ( 1.688 0.000 10.044) 10.185 30.855 ( 4.388 0.000 -6.169) 7.570 30.897 ( 0.465 0.000 -0.424) 0.629 30.985 ( 9.672 0.000 5.328) 11.042 31.285 ( 6.376 0.000 1.826) 6.633 31.355 ( -6.964 0.000 -14.068) 15.698 31.775 ( 2.444 0.000 6.672) 7.105 31.966 ( -0.324 0.000 -2.022) 2.048 32.351 ( -3.273 0.000 4.739) 5.759 32.711 ( -2.832 0.000 -13.162) 13.464 32.818 ( -3.039 0.000 5.357) 6.159 32.826 ( -11.480 0.000 -3.373) 11.965 ======================= Grid point 70 (36/60) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -11.078 0.000 20.204) 23.041 1.249 ( -14.152 0.000 21.522) 25.758 1.328 ( -1.087 0.000 -14.317) 14.358 1.776 ( -17.865 0.000 5.540) 18.704 2.079 ( -1.091 0.000 -0.490) 1.196 2.084 ( 11.108 0.000 1.029) 11.155 2.107 ( -4.185 0.000 9.749) 10.609 2.205 ( -0.193 0.000 0.716) 0.742 2.225 ( -3.593 0.000 10.244) 10.856 2.261 ( 0.326 0.000 -5.553) 5.563 2.360 ( -3.817 0.000 9.390) 10.136 2.412 ( 1.717 0.000 -5.232) 5.507 2.438 ( -4.304 0.000 12.353) 13.081 2.539 ( 0.006 0.000 -8.362) 8.362 2.654 ( 8.507 0.000 -3.850) 9.338 2.759 ( 4.343 0.000 5.329) 6.875 2.877 ( 7.591 0.000 -2.092) 7.874 2.971 ( -0.988 0.000 0.339) 1.044 3.062 ( 12.748 0.000 0.318) 12.752 3.089 ( -1.505 0.000 2.413) 2.844 3.174 ( 1.117 0.000 -1.192) 1.633 3.259 ( 3.048 0.000 -3.091) 4.341 3.401 ( -2.843 0.000 -4.329) 5.179 3.440 ( 4.826 0.000 -13.586) 14.417 3.452 ( -1.153 0.000 5.230) 5.355 3.536 ( 2.456 0.000 11.504) 11.764 3.598 ( -2.433 0.000 -0.530) 2.491 3.708 ( 9.244 0.000 -1.435) 9.355 3.807 ( -8.529 0.000 -0.585) 8.549 3.866 ( -2.568 0.000 -1.581) 3.016 3.959 ( 5.437 0.000 -0.911) 5.513 3.962 ( -1.601 0.000 4.800) 5.060 4.044 ( -6.254 0.000 -2.534) 6.748 4.146 ( 2.456 0.000 7.108) 7.520 4.152 ( 1.406 0.000 -5.546) 5.722 4.252 ( -2.089 0.000 -9.652) 9.875 4.280 ( -0.866 0.000 7.423) 7.473 4.382 ( 3.042 0.000 8.086) 8.639 4.435 ( -2.387 0.000 -2.547) 3.491 4.614 ( 2.709 0.000 2.793) 3.891 4.653 ( -0.018 0.000 2.441) 2.442 4.793 ( 1.690 0.000 2.798) 3.269 4.865 ( 1.820 0.000 10.248) 10.408 4.971 ( -3.498 0.000 2.421) 4.254 5.012 ( 10.101 0.000 -7.997) 12.884 5.038 ( -5.074 0.000 -0.258) 5.081 5.205 ( 6.304 0.000 -3.083) 7.017 5.393 ( -3.866 0.000 0.018) 3.866 5.413 ( -4.931 0.000 1.035) 5.039 5.451 ( 0.739 0.000 -13.859) 13.879 5.505 ( -3.202 0.000 2.376) 3.987 5.652 ( 1.696 0.000 -5.890) 6.129 5.811 ( 6.809 0.000 3.817) 7.806 5.818 ( 0.833 0.000 -0.417) 0.932 6.054 ( 2.920 0.000 4.699) 5.532 6.153 ( 3.662 0.000 0.946) 3.782 6.431 ( -2.998 0.000 -1.856) 3.526 6.557 ( -0.274 0.000 -4.639) 4.647 6.599 ( -6.285 0.000 0.800) 6.336 6.650 ( -5.673 0.000 -6.631) 8.727 7.071 ( -3.005 0.000 1.177) 3.228 7.124 ( 3.309 0.000 -2.562) 4.184 7.258 ( -0.363 0.000 4.145) 4.161 7.473 ( -11.016 0.000 -4.725) 11.987 7.887 ( -2.484 0.000 2.646) 3.630 7.967 ( -5.568 0.000 -2.431) 6.076 7.995 ( 1.989 0.000 2.835) 3.464 8.164 ( -0.480 0.000 -2.627) 2.671 8.634 ( 0.408 0.000 1.408) 1.466 8.734 ( 0.249 0.000 -3.030) 3.040 8.987 ( 2.376 0.000 0.805) 2.509 8.988 ( 2.092 0.000 0.067) 2.093 9.478 ( 0.027 0.000 2.152) 2.152 9.570 ( -0.899 0.000 -0.905) 1.276 9.570 ( 1.209 0.000 3.542) 3.743 9.944 ( 3.820 0.000 -5.864) 6.999 10.716 ( 0.110 0.000 0.057) 0.124 10.723 ( -0.092 0.000 -0.664) 0.671 10.979 ( 0.932 0.000 1.176) 1.501 10.982 ( 2.631 0.000 1.201) 2.892 11.072 ( 0.351 0.000 -1.108) 1.163 11.098 ( 0.034 0.000 -1.058) 1.058 11.168 ( -2.501 0.000 1.802) 3.082 11.251 ( -3.146 0.000 -1.735) 3.593 11.657 ( -0.304 0.000 3.021) 3.037 11.761 ( -0.013 0.000 -2.577) 2.577 11.829 ( 2.501 0.000 0.426) 2.537 11.862 ( 0.728 0.000 -3.441) 3.517 12.800 ( 0.742 0.000 4.725) 4.783 12.854 ( 0.227 0.000 6.014) 6.018 12.969 ( 2.225 0.000 -4.784) 5.276 13.116 ( -0.030 0.000 -6.266) 6.266 14.287 ( -0.590 0.000 0.477) 0.758 14.307 ( -0.782 0.000 0.232) 0.815 14.653 ( 1.653 0.000 -0.219) 1.668 14.666 ( 1.998 0.000 -3.246) 3.812 14.885 ( -1.890 0.000 0.991) 2.134 14.889 ( -1.596 0.000 -2.188) 2.708 14.971 ( -1.348 0.000 0.008) 1.348 15.010 ( -2.948 0.000 0.904) 3.084 15.566 ( 2.108 0.000 -2.002) 2.907 15.611 ( 1.313 0.000 -0.986) 1.642 15.740 ( -0.983 0.000 0.213) 1.006 15.758 ( -0.973 0.000 1.500) 1.788 15.997 ( -0.872 0.000 1.299) 1.565 16.009 ( -0.131 0.000 -1.658) 1.663 16.213 ( -1.491 0.000 1.871) 2.393 16.242 ( -1.248 0.000 1.124) 1.680 16.864 ( -1.288 0.000 1.728) 2.155 16.878 ( -1.281 0.000 -0.692) 1.456 17.012 ( -1.481 0.000 3.264) 3.584 17.138 ( -0.593 0.000 -2.610) 2.677 17.310 ( 0.358 0.000 1.770) 1.806 17.412 ( 0.672 0.000 -1.335) 1.495 17.496 ( 7.459 0.000 2.583) 7.893 17.539 ( 1.414 0.000 2.719) 3.065 18.457 ( 3.335 0.000 -0.159) 3.339 18.527 ( -1.543 0.000 -0.396) 1.593 18.558 ( -4.015 0.000 -0.127) 4.017 18.671 ( -2.107 0.000 -2.058) 2.945 18.855 ( 0.596 0.000 1.547) 1.658 18.945 ( -1.607 0.000 0.929) 1.856 19.034 ( 1.025 0.000 -0.005) 1.025 19.154 ( 0.051 0.000 -0.550) 0.553 27.712 ( -0.385 0.000 1.186) 1.247 27.735 ( 0.496 0.000 -0.398) 0.636 27.836 ( 0.171 0.000 0.252) 0.305 27.896 ( 0.423 0.000 -2.402) 2.439 27.937 ( 0.101 0.000 0.182) 0.208 27.981 ( 1.022 0.000 1.174) 1.557 27.988 ( -1.007 0.000 0.258) 1.039 28.069 ( -0.072 0.000 -0.709) 0.712 28.869 ( 0.097 0.000 2.876) 2.877 28.934 ( -0.008 0.000 -0.669) 0.669 29.345 ( 2.687 0.000 -0.682) 2.772 29.381 ( 2.491 0.000 1.077) 2.714 29.539 ( 2.442 0.000 1.031) 2.651 29.574 ( 2.008 0.000 -0.965) 2.228 29.633 ( -1.488 0.000 -0.939) 1.759 29.831 ( 5.711 0.000 7.329) 9.292 30.069 ( -9.831 0.000 -2.535) 10.152 30.324 ( 6.344 0.000 -1.193) 6.455 30.391 ( 0.023 0.000 -5.587) 5.587 30.407 ( 3.279 0.000 5.150) 6.105 30.493 ( 1.186 0.000 2.989) 3.216 30.860 ( -7.861 0.000 1.573) 8.017 30.892 ( -0.059 0.000 -8.701) 8.701 31.134 ( -2.172 0.000 -8.067) 8.355 31.272 ( 5.471 0.000 2.002) 5.826 31.466 ( 12.111 0.000 1.264) 12.177 31.955 ( 16.271 0.000 5.573) 17.199 31.980 ( 2.394 0.000 1.516) 2.834 32.282 ( -3.455 0.000 2.002) 3.993 32.543 ( -12.826 0.000 -7.619) 14.918 32.585 ( -11.002 0.000 -5.001) 12.085 32.705 ( -8.057 0.000 4.041) 9.013 ======================= Grid point 71 (37/60) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -7.041 15.086 14.221) 21.895 1.207 ( 0.561 12.270 20.713) 24.081 1.435 ( 6.923 5.991 -12.654) 15.619 1.714 ( 3.411 1.773 7.254) 8.209 1.920 ( -7.572 -4.229 3.678) 9.421 2.124 ( 4.237 -4.971 2.195) 6.891 2.126 ( 0.630 0.378 2.290) 2.405 2.212 ( 1.730 0.955 -0.964) 2.198 2.290 ( 1.716 -0.108 3.392) 3.803 2.299 ( 3.936 1.773 0.351) 4.331 2.379 ( -1.283 0.290 10.939) 11.018 2.405 ( 1.978 6.088 0.920) 6.467 2.541 ( -0.590 5.135 -1.794) 5.471 2.565 ( 1.924 -0.818 -1.237) 2.429 2.669 ( 0.835 -1.464 -4.909) 5.190 2.754 ( -3.252 -7.330 5.197) 9.556 2.850 ( -8.071 0.708 2.880) 8.598 2.961 ( 4.594 -3.747 2.720) 6.523 3.007 ( 0.935 -1.542 -3.530) 3.964 3.095 ( -3.670 -1.504 -1.258) 4.160 3.203 ( -2.402 -5.195 -1.930) 6.040 3.273 ( -5.483 1.868 1.524) 5.989 3.412 ( 1.906 1.667 2.027) 3.243 3.453 ( -0.656 0.970 -0.317) 1.213 3.530 ( -2.186 -1.080 1.232) 2.731 3.574 ( 2.397 -1.279 3.633) 4.536 3.632 ( 4.047 -0.115 -3.500) 5.352 3.725 ( 1.735 3.364 5.863) 6.978 3.830 ( 3.566 2.718 -8.930) 9.992 3.852 ( 1.773 -1.017 2.417) 3.166 3.966 ( -1.278 7.001 -2.793) 7.645 4.033 ( 0.965 1.439 3.024) 3.486 4.083 ( -3.218 5.544 -1.914) 6.691 4.096 ( -4.996 3.017 4.862) 7.596 4.220 ( -0.535 -0.722 1.845) 2.052 4.283 ( -1.831 1.091 -2.278) 3.120 4.347 ( 3.843 10.154 -4.667) 11.818 4.459 ( 2.015 2.532 5.536) 6.413 4.490 ( 0.348 4.774 -2.793) 5.542 4.636 ( -1.026 1.200 -0.369) 1.621 4.717 ( 4.861 -0.985 3.209) 5.907 4.796 ( 1.433 0.437 2.000) 2.499 4.827 ( -4.167 -2.379 -2.320) 5.330 4.888 ( -1.880 -0.897 8.214) 8.474 5.015 ( -0.280 2.026 5.509) 5.876 5.040 ( -0.717 -8.797 -6.354) 10.875 5.192 ( 0.812 -3.658 -0.862) 3.845 5.302 ( -3.665 -2.452 -1.443) 4.640 5.363 ( -2.389 -6.484 4.647) 8.327 5.400 ( 2.171 2.609 -5.608) 6.555 5.531 ( 1.201 3.000 -10.547) 11.031 5.623 ( -1.523 -5.450 -0.583) 5.689 5.724 ( 0.016 -6.006 -5.934) 8.443 5.778 ( 4.630 -12.598 -3.820) 13.955 6.130 ( -0.037 -0.898 4.847) 4.929 6.213 ( 1.415 -0.668 2.332) 2.808 6.446 ( -2.786 2.683 -1.217) 4.055 6.524 ( -4.851 3.168 -2.402) 6.272 6.550 ( 2.832 3.535 -1.502) 4.772 6.608 ( 3.482 2.262 -2.651) 4.926 7.091 ( 0.901 3.179 2.116) 3.924 7.152 ( -1.041 1.453 -0.732) 1.932 7.283 ( 0.840 -1.995 0.277) 2.182 7.328 ( 2.883 -0.704 -1.805) 3.473 7.886 ( -1.559 2.427 0.445) 2.918 7.917 ( 1.011 0.776 -0.678) 1.444 8.054 ( 1.173 1.324 1.243) 2.162 8.128 ( -0.753 -1.681 -2.272) 2.925 8.686 ( 0.149 3.441 0.403) 3.468 8.750 ( 0.229 2.066 -2.752) 3.449 8.937 ( -1.642 -4.648 2.154) 5.380 8.990 ( 0.653 -2.564 -0.795) 2.763 9.492 ( 1.227 0.233 2.065) 2.413 9.545 ( 0.356 -0.808 0.637) 1.089 9.626 ( 1.501 0.401 3.591) 3.913 9.844 ( -5.107 -6.389 -4.414) 9.295 10.727 ( -0.622 2.091 0.196) 2.191 10.742 ( 0.022 1.848 -0.499) 1.914 10.956 ( 1.132 -2.944 0.779) 3.249 10.987 ( -0.454 -4.536 -0.765) 4.622 11.013 ( 1.074 -2.191 0.910) 2.605 11.047 ( -2.045 -2.281 0.057) 3.064 11.231 ( -0.324 3.464 -0.752) 3.559 11.251 ( 1.243 2.649 -1.352) 3.223 11.669 ( 0.182 1.303 1.796) 2.226 11.758 ( 0.094 0.278 -2.578) 2.595 11.793 ( -1.717 -2.347 0.555) 2.961 11.866 ( 1.006 -1.264 -3.219) 3.602 12.804 ( -0.675 0.099 4.880) 4.927 12.864 ( -0.341 -0.236 5.018) 5.035 12.999 ( 0.353 0.032 -4.577) 4.591 13.100 ( 0.573 -1.269 -6.200) 6.355 14.294 ( 0.314 0.335 0.315) 0.556 14.304 ( 0.277 0.467 -0.030) 0.544 14.617 ( -1.235 -0.876 -0.292) 1.542 14.694 ( 2.093 -1.590 -3.648) 4.496 14.857 ( -0.859 0.270 0.423) 0.995 14.897 ( 1.640 -0.204 -1.501) 2.233 14.988 ( -0.564 1.731 0.596) 1.916 14.990 ( -0.776 2.089 0.523) 2.289 15.572 ( -0.981 -1.010 -0.043) 1.409 15.603 ( 0.091 -0.526 -1.892) 1.966 15.738 ( 0.770 0.556 1.044) 1.412 15.760 ( -0.224 0.814 0.032) 0.845 15.969 ( -1.851 0.753 1.808) 2.695 16.020 ( 0.397 0.466 -0.811) 1.016 16.178 ( 0.741 -1.554 2.251) 2.833 16.208 ( -0.254 -1.401 0.443) 1.491 16.836 ( -0.799 -0.285 0.673) 1.083 16.878 ( 1.269 -0.937 -1.279) 2.031 17.034 ( -0.612 3.126 2.873) 4.290 17.136 ( 0.324 0.674 -2.152) 2.278 17.329 ( 0.953 0.409 2.393) 2.607 17.408 ( -0.131 -0.869 -1.044) 1.365 17.537 ( -1.551 -0.218 3.027) 3.409 17.571 ( 2.335 -3.211 2.358) 4.617 18.489 ( 0.020 0.350 2.471) 2.495 18.530 ( -0.137 0.742 2.295) 2.416 18.559 ( 0.287 2.441 -1.054) 2.674 18.696 ( 1.295 3.239 -6.399) 7.288 18.910 ( 1.982 2.105 1.248) 3.149 18.923 ( -1.568 1.793 0.547) 2.444 19.054 ( 0.752 -1.156 1.386) 1.955 19.114 ( -2.191 -0.835 -1.580) 2.827 27.703 ( -0.318 -0.001 0.878) 0.934 27.742 ( 0.374 -0.140 -0.886) 0.972 27.838 ( 0.409 -0.351 -0.302) 0.617 27.877 ( -0.198 -2.305 -1.814) 2.940 27.901 ( -0.267 -2.076 0.746) 2.222 27.950 ( 0.445 -2.225 -1.367) 2.649 27.989 ( -0.005 -0.015 2.311) 2.312 28.052 ( -0.509 -0.933 -0.678) 1.261 28.965 ( -0.387 7.671 3.210) 8.324 29.059 ( 0.471 8.216 -1.924) 8.451 29.408 ( 1.001 2.008 1.758) 2.851 29.460 ( -0.591 4.778 -0.885) 4.895 29.590 ( 2.911 -0.672 2.190) 3.704 29.611 ( -0.659 0.524 -0.961) 1.277 29.643 ( 1.941 2.289 1.364) 3.297 29.813 ( -13.431 1.559 -4.971) 14.406 29.976 ( 2.515 1.737 10.576) 11.008 30.295 ( -5.483 -3.766 -2.846) 7.236 30.371 ( -1.682 -4.952 2.204) 5.675 30.432 ( -0.316 -1.701 1.233) 2.125 30.566 ( 4.922 3.740 3.455) 7.081 30.710 ( -0.901 6.140 3.421) 7.087 30.868 ( -4.347 1.169 -5.002) 6.729 31.048 ( -1.053 0.277 -9.335) 9.399 31.270 ( 4.256 -9.872 8.591) 13.762 31.545 ( -0.674 -9.244 -5.553) 10.804 32.097 ( 5.359 1.033 1.966) 5.801 32.170 ( -1.025 -2.147 0.046) 2.379 32.278 ( -3.843 1.262 -2.135) 4.574 32.300 ( -4.310 0.463 -2.716) 5.115 32.532 ( -0.387 -1.337 -0.771) 1.591 32.558 ( 11.246 -1.461 -2.263) 11.564 ======================= Grid point 72 (38/60) ======================= q-point: ( 0.17 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 16.236 13.689 5.025) 21.823 1.288 ( 6.159 16.564 14.746) 23.016 1.631 ( 10.826 3.719 -5.960) 12.906 1.832 ( 0.216 -5.070 5.496) 7.480 1.866 ( 6.053 -2.217 -1.090) 6.538 2.113 ( -1.214 2.695 -2.141) 3.650 2.187 ( -3.897 3.396 -0.583) 5.202 2.230 ( 5.647 -0.256 4.988) 7.538 2.329 ( 1.138 2.113 14.479) 14.677 2.355 ( 1.911 -0.772 -2.171) 2.994 2.371 ( -1.619 0.305 0.197) 1.659 2.425 ( 2.593 4.654 2.055) 5.710 2.566 ( 1.335 -2.185 -3.593) 4.412 2.609 ( -10.888 -6.413 4.781) 13.511 2.630 ( 3.603 3.577 0.021) 5.078 2.704 ( 0.584 -0.241 -3.733) 3.786 2.734 ( 1.418 -4.931 -2.464) 5.692 2.897 ( -6.373 -1.647 -1.510) 6.754 2.994 ( -0.111 1.373 -0.488) 1.461 3.026 ( -8.384 -1.051 -1.451) 8.573 3.154 ( -3.565 0.052 -0.737) 3.641 3.208 ( 2.583 0.361 7.451) 7.894 3.368 ( -3.243 -2.921 1.771) 4.710 3.382 ( -9.364 1.945 2.829) 9.973 3.537 ( 0.031 -0.199 0.438) 0.482 3.577 ( -0.756 -2.073 0.086) 2.209 3.647 ( -3.093 -7.711 4.361) 9.383 3.748 ( 1.635 3.238 4.241) 5.581 3.815 ( -2.028 3.909 2.746) 5.189 3.903 ( -5.339 3.680 -6.154) 8.939 3.938 ( 4.113 3.600 -7.548) 9.319 3.990 ( -2.556 2.751 0.885) 3.858 4.078 ( 3.464 6.114 1.147) 7.120 4.155 ( 4.115 2.253 4.154) 6.266 4.191 ( -0.515 5.130 -4.799) 7.044 4.286 ( 3.455 -1.781 4.421) 5.887 4.410 ( 3.264 4.067 -5.430) 7.529 4.477 ( -0.084 3.950 -1.779) 4.333 4.514 ( 0.743 -0.496 2.918) 3.051 4.638 ( 1.283 2.305 -2.788) 3.838 4.726 ( -2.647 -1.000 1.160) 3.058 4.729 ( -1.242 1.223 3.632) 4.029 4.793 ( -4.917 2.292 8.282) 9.900 4.911 ( -0.706 -1.758 2.927) 3.487 5.012 ( 1.104 -1.872 2.222) 3.108 5.028 ( -0.075 -1.553 1.777) 2.361 5.205 ( -0.190 -1.896 -3.166) 3.695 5.269 ( 1.689 -5.555 -4.067) 7.089 5.304 ( -4.062 -6.965 3.657) 8.853 5.402 ( -1.506 2.595 -3.023) 4.259 5.494 ( -4.887 -5.883 0.833) 7.693 5.586 ( 0.278 -2.411 -3.118) 3.951 5.705 ( -1.029 -3.598 -6.328) 7.351 5.815 ( -1.070 -10.895 -5.710) 12.347 6.069 ( -3.463 4.558 4.083) 7.032 6.203 ( -0.855 0.413 0.413) 1.035 6.487 ( 0.309 3.355 -0.093) 3.371 6.496 ( 5.950 -0.030 -2.407) 6.418 6.601 ( 3.089 2.273 -2.537) 4.599 6.755 ( 7.246 3.155 -3.776) 8.759 7.057 ( -2.398 3.546 2.552) 4.984 7.140 ( -0.106 1.742 -0.800) 1.920 7.359 ( 2.910 -3.050 0.518) 4.247 7.474 ( 11.140 -4.550 -6.608) 13.729 7.881 ( 0.610 2.722 1.403) 3.122 7.989 ( 5.306 -1.658 -2.244) 5.995 8.074 ( 1.131 0.255 0.172) 1.172 8.108 ( -0.947 -1.161 -2.812) 3.186 8.678 ( -0.748 2.688 0.074) 2.791 8.748 ( -0.519 2.760 -2.781) 3.952 8.890 ( -2.826 -4.355 2.601) 5.807 8.971 ( -2.301 -1.838 -0.141) 2.949 9.519 ( 1.031 0.134 1.591) 1.901 9.552 ( 0.574 -0.487 -1.061) 1.301 9.661 ( 0.966 -0.820 5.473) 5.618 9.714 ( -5.563 -2.951 -2.362) 6.725 10.718 ( -0.198 2.607 0.526) 2.667 10.745 ( 0.262 1.789 -0.279) 1.829 10.960 ( -1.492 -3.975 -0.584) 4.286 10.972 ( -0.024 -2.468 0.706) 2.568 10.996 ( -2.222 -3.051 0.804) 3.859 11.040 ( 0.976 -2.775 0.037) 2.942 11.249 ( 2.203 3.184 -0.863) 3.967 11.292 ( 2.440 3.169 -1.456) 4.256 11.670 ( -0.186 1.328 1.536) 2.039 11.742 ( -1.827 0.400 1.256) 2.253 11.770 ( 0.169 -0.852 -1.652) 1.866 11.875 ( 0.087 -1.317 -3.328) 3.580 12.787 ( -1.188 0.364 4.384) 4.556 12.851 ( -1.183 -0.566 5.706) 5.855 12.983 ( -1.125 0.743 -4.579) 4.773 13.109 ( 0.567 -1.632 -6.780) 6.997 14.302 ( 0.595 0.198 0.192) 0.656 14.323 ( 1.074 0.088 0.187) 1.094 14.592 ( -1.298 0.329 -0.807) 1.563 14.709 ( -0.828 -1.874 -3.323) 3.903 14.859 ( 1.277 0.767 -0.343) 1.528 14.939 ( 2.458 -0.578 -1.814) 3.109 14.974 ( 0.760 2.030 1.345) 2.551 15.016 ( 1.367 0.220 0.885) 1.643 15.527 ( -2.519 0.189 -0.256) 2.539 15.596 ( -1.160 -0.893 -0.971) 1.757 15.760 ( 0.393 0.912 0.071) 0.996 15.769 ( 1.727 0.137 0.461) 1.793 15.945 ( -0.412 1.456 2.258) 2.718 16.031 ( 0.660 0.268 -0.090) 0.718 16.210 ( 1.784 -1.489 1.937) 3.025 16.216 ( 0.922 -1.142 0.642) 1.602 16.834 ( 0.570 -0.656 1.088) 1.392 16.911 ( 1.905 -2.686 -2.073) 3.891 17.038 ( 0.750 3.357 3.162) 4.672 17.152 ( 1.234 1.675 -1.973) 2.867 17.346 ( 0.495 0.209 1.666) 1.750 17.396 ( -0.851 -0.575 -1.578) 1.883 17.483 ( -3.616 -0.136 2.066) 4.167 17.549 ( -3.978 -1.423 2.919) 5.135 18.477 ( -2.607 1.067 -0.471) 2.856 18.490 ( -0.893 -0.940 1.130) 1.720 18.610 ( 3.179 0.750 -0.713) 3.343 18.745 ( 2.673 4.054 -3.213) 5.823 18.908 ( 0.289 0.703 -0.767) 1.080 18.965 ( 3.131 0.830 1.641) 3.631 19.015 ( -3.680 -1.165 -0.748) 3.931 19.093 ( -0.360 -0.527 1.356) 1.499 27.699 ( -0.049 0.042 0.795) 0.798 27.748 ( 0.168 -0.298 -0.740) 0.815 27.845 ( 0.219 0.197 -0.310) 0.428 27.873 ( -0.001 -2.651 -1.500) 3.046 27.894 ( -0.356 -2.112 0.490) 2.197 27.954 ( 0.095 -1.752 -1.462) 2.284 27.989 ( -0.142 -0.716 2.323) 2.435 28.039 ( -0.572 -0.888 -0.487) 1.163 28.954 ( -0.840 7.433 3.318) 8.183 29.060 ( -0.227 8.162 -2.429) 8.519 29.392 ( -2.286 3.754 1.439) 4.625 29.452 ( -0.900 2.577 0.501) 2.775 29.506 ( -10.453 4.222 2.265) 11.498 29.600 ( -1.742 1.467 -0.716) 2.387 29.616 ( -0.134 1.148 0.660) 1.330 29.708 ( 2.779 -1.116 5.533) 6.291 30.055 ( 3.242 -0.561 8.845) 9.437 30.164 ( -4.689 -4.138 1.019) 6.336 30.328 ( -1.997 1.390 -1.362) 2.789 30.461 ( 1.099 -2.980 3.099) 4.438 30.611 ( -1.240 6.005 3.272) 6.951 30.692 ( -2.748 1.571 -4.635) 5.613 30.820 ( 3.263 5.217 1.637) 6.367 31.021 ( -2.373 -0.714 -2.578) 3.576 31.380 ( 1.103 -8.725 0.356) 8.802 31.403 ( -6.193 -7.798 -5.788) 11.518 32.026 ( -8.052 -0.275 1.030) 8.122 32.081 ( -7.463 -0.074 -3.401) 8.202 32.244 ( 5.067 -0.589 4.336) 6.695 32.438 ( 10.942 1.814 -1.530) 11.196 32.534 ( 3.725 -0.766 -2.539) 4.573 32.886 ( 12.840 -6.685 -8.167) 16.621 ======================= Grid point 73 (39/60) ======================= q-point: ( 0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 17.287 8.276 0.410) 19.170 1.453 ( 8.101 12.929 6.111) 16.436 1.777 ( 3.530 -0.875 -0.069) 3.637 1.836 ( -3.926 1.382 2.666) 4.942 1.914 ( 0.255 -8.870 1.840) 9.063 2.048 ( -2.944 4.284 -4.637) 6.966 2.108 ( -1.662 -3.037 -4.973) 6.060 2.222 ( -9.039 1.479 0.650) 9.183 2.318 ( -1.285 -2.719 -1.026) 3.177 2.363 ( 1.886 -0.458 2.174) 2.914 2.369 ( -6.437 2.684 3.614) 7.855 2.477 ( 6.709 2.009 3.210) 7.704 2.536 ( 3.580 3.706 -0.406) 5.168 2.605 ( 1.073 -0.380 0.736) 1.356 2.700 ( 2.089 1.580 -4.101) 4.866 2.724 ( -0.861 0.261 5.485) 5.558 2.778 ( 2.271 3.720 5.066) 6.683 2.860 ( 1.785 -4.385 -6.552) 8.084 2.907 ( 1.168 -1.627 -2.960) 3.574 3.020 ( 2.013 3.421 -1.210) 4.150 3.104 ( -10.634 6.577 2.294) 12.712 3.132 ( 2.964 0.753 -4.858) 5.741 3.184 ( -2.662 2.292 3.820) 5.190 3.449 ( -3.280 -7.538 1.609) 8.377 3.483 ( 3.883 -0.499 3.260) 5.095 3.553 ( -3.594 -2.941 -1.370) 4.842 3.590 ( -0.015 -7.881 2.996) 8.431 3.669 ( -4.951 2.962 6.557) 8.733 3.771 ( -5.048 3.746 -4.153) 7.534 3.881 ( -6.307 2.826 1.142) 7.005 3.918 ( 3.592 3.514 4.832) 6.971 4.020 ( 4.920 2.093 2.851) 6.059 4.121 ( 0.826 2.522 4.771) 5.460 4.221 ( 2.051 6.654 -7.085) 9.933 4.239 ( 1.221 2.727 1.015) 3.156 4.315 ( -1.598 -0.226 3.739) 4.072 4.417 ( -3.722 1.327 -3.303) 5.150 4.467 ( 0.594 2.407 -2.595) 3.589 4.542 ( 1.297 -3.017 0.598) 3.338 4.636 ( -1.362 0.967 2.778) 3.242 4.700 ( -3.604 -0.067 2.469) 4.369 4.728 ( 2.084 2.052 3.919) 4.890 4.759 ( 3.183 0.405 4.016) 5.140 4.815 ( -6.237 1.196 3.830) 7.416 4.990 ( -4.092 0.038 3.693) 5.512 5.051 ( 1.767 -0.932 1.033) 2.249 5.193 ( -0.845 -0.078 -1.732) 1.929 5.233 ( 0.715 -4.128 4.815) 6.382 5.323 ( 1.730 -3.901 -3.850) 5.748 5.397 ( 1.243 -3.086 2.704) 4.288 5.458 ( 1.860 -5.482 -2.670) 6.375 5.598 ( 0.707 -2.035 -4.431) 4.927 5.677 ( -1.191 -3.136 -6.178) 7.030 5.751 ( -4.087 -7.460 -5.271) 10.007 6.036 ( -0.506 1.137 1.184) 1.718 6.190 ( -0.933 0.457 -2.535) 2.739 6.518 ( 2.751 2.747 -0.149) 3.890 6.601 ( 4.319 1.536 0.132) 4.585 6.653 ( 1.736 4.164 -1.782) 4.851 6.835 ( 0.163 3.143 -2.756) 4.183 7.059 ( 3.256 1.936 -0.933) 3.901 7.137 ( -0.518 3.456 -0.338) 3.511 7.380 ( -0.623 -2.995 5.391) 6.198 7.656 ( 6.328 -7.258 -8.878) 13.097 7.895 ( 0.385 2.381 2.326) 3.351 8.040 ( -0.315 -0.453 1.707) 1.794 8.089 ( -0.524 -1.012 -3.193) 3.390 8.131 ( 3.694 -3.452 -6.810) 8.481 8.662 ( -0.813 2.683 0.196) 2.810 8.723 ( -1.402 1.560 -1.893) 2.825 8.845 ( -1.478 -3.316 2.479) 4.396 8.915 ( -2.655 -2.032 0.025) 3.343 9.532 ( 0.065 -0.010 1.105) 1.107 9.563 ( 0.614 -0.467 -1.762) 1.923 9.663 ( -1.047 -0.411 4.035) 4.189 9.670 ( 1.183 -0.476 -1.191) 1.745 10.719 ( 0.177 2.821 0.787) 2.934 10.752 ( 0.497 1.955 -0.386) 2.054 10.919 ( -2.086 -1.926 0.477) 2.879 10.960 ( -1.362 -4.146 -0.264) 4.372 10.977 ( 0.344 -2.829 1.535) 3.237 11.055 ( 0.490 -3.310 -1.232) 3.566 11.298 ( 1.977 4.139 -0.112) 4.588 11.340 ( 2.479 2.514 -1.443) 3.814 11.667 ( -0.257 0.814 1.922) 2.103 11.713 ( -1.165 0.261 2.647) 2.904 11.773 ( 0.174 -0.467 -2.512) 2.561 11.864 ( -0.761 -1.409 -3.795) 4.119 12.770 ( -0.731 0.694 3.857) 3.987 12.834 ( -0.864 -0.910 5.983) 6.113 12.961 ( -0.468 1.632 -4.981) 5.263 13.109 ( 0.076 -1.674 -6.807) 7.010 14.316 ( 0.594 0.009 0.698) 0.916 14.339 ( 0.538 0.223 0.443) 0.732 14.566 ( -0.974 0.538 -0.884) 1.421 14.668 ( -2.239 -1.167 -3.094) 3.994 14.899 ( 2.147 0.359 -0.269) 2.194 14.968 ( 0.415 -1.020 -0.418) 1.178 15.019 ( 2.839 1.337 -0.052) 3.139 15.037 ( 0.681 0.311 1.051) 1.290 15.492 ( -0.672 0.333 -0.771) 1.076 15.559 ( -2.074 -1.032 -1.263) 2.639 15.771 ( 0.512 0.386 0.499) 0.812 15.792 ( 0.338 -0.314 0.069) 0.466 15.958 ( 1.290 2.094 2.611) 3.587 16.043 ( 0.466 0.409 0.033) 0.621 16.235 ( 0.927 -1.219 0.649) 1.663 16.241 ( 0.800 -1.443 2.325) 2.851 16.854 ( 1.123 -0.686 1.655) 2.115 16.942 ( 1.087 -3.083 -1.816) 3.739 17.064 ( 1.358 3.534 3.596) 5.221 17.170 ( 0.410 2.247 -1.365) 2.660 17.353 ( 0.176 -0.625 0.026) 0.650 17.378 ( -0.723 -0.637 -1.562) 1.835 17.419 ( -2.246 -0.011 1.152) 2.525 17.460 ( -4.376 0.065 2.762) 5.175 18.446 ( -1.016 -0.384 -1.089) 1.538 18.451 ( -1.902 -0.230 -0.544) 1.992 18.677 ( 3.435 1.394 0.063) 3.707 18.777 ( 0.667 3.474 0.197) 3.543 18.895 ( -2.589 -2.411 -0.221) 3.545 18.954 ( -0.770 0.608 -1.901) 2.140 19.039 ( 3.060 -0.495 0.267) 3.111 19.080 ( -0.894 -0.828 2.185) 2.502 27.702 ( 0.247 0.025 0.845) 0.880 27.747 ( -0.151 0.012 -0.441) 0.466 27.845 ( -0.172 0.368 0.038) 0.408 27.875 ( 0.229 -1.989 -1.437) 2.464 27.890 ( -0.065 -2.550 0.431) 2.587 27.949 ( -0.440 -1.792 -1.502) 2.379 27.988 ( -0.176 -1.178 1.979) 2.310 28.033 ( 0.074 -1.060 -0.440) 1.150 28.943 ( -0.375 6.959 3.312) 7.716 29.049 ( -0.481 7.944 -2.211) 8.260 29.333 ( -3.616 3.788 1.765) 5.526 29.356 ( -3.184 2.165 3.659) 5.312 29.462 ( 0.617 3.411 -0.663) 3.529 29.563 ( -1.935 1.493 -1.125) 2.690 29.634 ( 1.709 0.906 1.682) 2.563 29.736 ( -0.371 -2.395 3.893) 4.585 30.114 ( 2.108 -0.995 5.960) 6.399 30.135 ( 1.492 -1.365 4.226) 4.684 30.299 ( -0.594 2.425 -1.123) 2.738 30.455 ( -1.916 -2.144 1.947) 3.473 30.582 ( -2.731 3.180 4.385) 6.066 30.639 ( 0.866 2.319 -4.140) 4.824 30.867 ( -1.883 -3.025 -2.427) 4.311 31.029 ( 3.562 5.174 5.176) 8.140 31.143 ( -9.143 -4.935 -6.673) 12.348 31.499 ( 2.901 -4.198 -6.743) 8.456 31.879 ( -6.732 -0.928 2.794) 7.348 31.956 ( -3.748 -2.187 -5.022) 6.638 32.354 ( 4.262 -0.215 6.624) 7.879 32.626 ( 6.187 3.498 -7.025) 9.993 32.649 ( 7.875 -4.076 2.142) 9.123 33.019 ( 1.730 -5.890 -7.478) 9.675 ======================= Grid point 74 (40/60) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -10.160 5.941 11.000) 16.110 1.519 ( -0.081 5.105 -1.521) 5.328 1.771 ( -4.828 -3.352 3.337) 6.759 1.821 ( 0.750 -1.889 -2.150) 2.959 1.900 ( 4.132 -3.355 -2.731) 5.982 2.053 ( -2.473 1.093 0.808) 2.822 2.070 ( 3.965 -2.870 -4.941) 6.955 2.141 ( 4.212 -4.126 -5.888) 8.333 2.262 ( -2.574 2.845 3.845) 5.431 2.323 ( 0.143 3.172 2.110) 3.812 2.420 ( 1.431 3.497 -2.408) 4.481 2.514 ( -0.605 8.469 -2.178) 8.766 2.565 ( -8.670 4.380 5.361) 11.095 2.578 ( -0.577 0.248 6.348) 6.379 2.680 ( -0.275 -1.701 0.119) 1.727 2.711 ( 0.366 0.300 -0.160) 0.500 2.807 ( 5.744 1.835 -1.174) 6.143 2.831 ( -7.372 1.540 -1.226) 7.631 2.988 ( 5.566 1.059 -6.337) 8.500 3.074 ( 5.310 -1.524 -5.814) 8.020 3.111 ( 0.736 1.192 -0.870) 1.648 3.152 ( 2.337 1.813 -1.835) 3.481 3.254 ( 6.943 4.231 -2.440) 8.489 3.396 ( 0.098 -5.287 3.716) 6.463 3.455 ( -2.027 -7.507 1.966) 8.020 3.522 ( -4.547 -3.476 -2.579) 6.278 3.596 ( -2.563 6.072 9.893) 11.887 3.676 ( -1.264 0.651 2.047) 2.492 3.750 ( 5.283 3.035 0.705) 6.133 3.761 ( 4.510 -2.077 -0.626) 5.005 3.957 ( -3.960 8.296 3.116) 9.706 4.063 ( -2.415 -1.076 8.361) 8.769 4.136 ( -0.140 -0.587 6.221) 6.250 4.167 ( -3.758 8.829 3.843) 10.336 4.189 ( -2.773 1.066 -1.445) 3.303 4.317 ( 0.588 2.521 0.777) 2.702 4.372 ( 0.477 -1.489 -1.445) 2.129 4.474 ( -0.601 -1.304 -0.527) 1.530 4.498 ( -3.359 6.512 1.275) 7.437 4.603 ( -2.949 -2.182 -1.842) 4.105 4.663 ( -4.239 1.986 7.503) 8.844 4.714 ( 4.810 0.176 6.215) 7.861 4.788 ( 1.530 1.020 2.478) 3.086 4.856 ( 0.890 -2.844 7.323) 7.906 4.964 ( 2.630 2.503 -3.380) 4.960 5.070 ( -0.146 -0.033 -0.294) 0.330 5.164 ( -1.052 2.553 -1.426) 3.107 5.294 ( 2.425 -7.145 -1.370) 7.668 5.363 ( 3.906 -2.610 3.494) 5.855 5.443 ( 2.211 -7.228 3.090) 8.166 5.505 ( 1.464 -3.644 -5.619) 6.855 5.606 ( 0.491 -2.865 -4.641) 5.476 5.651 ( -0.548 -1.686 -8.632) 8.812 5.675 ( -1.936 -6.361 -5.055) 8.352 6.034 ( -0.118 -0.537 0.918) 1.070 6.159 ( -1.523 0.404 -3.400) 3.747 6.571 ( 1.566 2.034 -0.011) 2.567 6.653 ( -0.080 4.687 -3.151) 5.649 6.675 ( 0.731 1.916 2.054) 2.903 6.794 ( -2.011 3.675 -1.404) 4.418 7.108 ( -1.421 4.147 -0.678) 4.436 7.135 ( 2.079 1.449 -2.939) 3.880 7.350 ( -2.925 -2.933 8.981) 9.890 7.699 ( -1.273 -6.923 -8.534) 11.062 7.906 ( 0.900 1.765 2.680) 3.333 8.020 ( -1.314 0.344 1.848) 2.293 8.084 ( 0.075 -1.155 -3.792) 3.965 8.165 ( 0.271 -3.568 -6.037) 7.018 8.648 ( -0.427 2.599 0.912) 2.788 8.711 ( 0.586 0.751 -1.854) 2.084 8.842 ( 0.988 -2.570 1.942) 3.369 8.884 ( -0.176 -2.628 -0.421) 2.668 9.518 ( -1.437 0.073 1.139) 1.835 9.566 ( -0.715 -1.154 -0.155) 1.366 9.641 ( -0.815 1.334 1.176) 1.956 9.728 ( 4.107 -0.887 -1.640) 4.510 10.723 ( 0.122 2.502 0.900) 2.662 10.761 ( 0.286 2.611 -0.797) 2.744 10.890 ( -0.695 -2.022 1.806) 2.799 10.943 ( -0.277 -3.701 -0.775) 3.791 10.987 ( 0.403 -3.292 1.459) 3.623 11.061 ( 0.451 -3.025 -2.059) 3.688 11.311 ( -0.720 4.553 1.032) 4.724 11.378 ( 0.755 1.981 -2.214) 3.065 11.663 ( -0.202 0.232 2.367) 2.387 11.703 ( 0.216 -0.066 2.994) 3.003 11.771 ( -0.116 -0.497 -2.646) 2.695 11.847 ( -0.426 -1.342 -4.026) 4.265 12.767 ( 0.129 0.719 3.675) 3.746 12.829 ( -0.136 -0.975 5.857) 5.939 12.957 ( 0.353 1.980 -5.230) 5.603 13.104 ( 0.086 -1.561 -6.674) 6.855 14.320 ( -0.266 0.034 1.146) 1.176 14.342 ( -0.345 0.453 0.600) 0.827 14.562 ( 0.765 0.341 -0.722) 1.105 14.633 ( -0.816 -0.816 -3.238) 3.437 14.926 ( 0.348 -0.201 0.679) 0.790 14.958 ( -1.338 -1.561 -0.480) 2.111 15.040 ( -0.280 1.076 0.880) 1.418 15.067 ( 1.521 1.165 -0.631) 2.017 15.502 ( 1.589 -0.405 -0.907) 1.874 15.525 ( -0.848 -0.725 -2.086) 2.366 15.777 ( -0.075 -0.077 1.234) 1.239 15.786 ( -0.634 -0.062 -0.047) 0.639 15.989 ( 1.298 1.917 2.793) 3.627 16.045 ( -0.332 0.782 -0.463) 0.968 16.243 ( -0.727 -1.476 2.183) 2.734 16.249 ( 0.284 -1.276 1.018) 1.657 16.873 ( 0.414 -0.736 2.112) 2.275 16.946 ( -0.566 -2.035 -1.515) 2.600 17.087 ( 0.356 3.493 3.680) 5.087 17.166 ( -0.515 1.714 -0.505) 1.860 17.335 ( -1.779 -0.868 -0.146) 1.985 17.368 ( -0.285 -0.863 -0.910) 1.286 17.396 ( -0.988 0.230 1.337) 1.678 17.426 ( 1.944 -0.230 0.545) 2.032 18.404 ( -1.323 0.336 0.568) 1.478 18.461 ( 1.414 -1.342 -2.896) 3.491 18.733 ( 0.589 2.679 1.668) 3.210 18.769 ( -0.372 2.411 -0.224) 2.450 18.852 ( -0.838 -1.785 1.289) 2.356 18.936 ( -1.283 -0.245 -2.385) 2.719 19.059 ( -0.611 -1.101 1.745) 2.152 19.096 ( 1.856 -0.442 0.192) 1.918 27.708 ( 0.255 -0.056 0.999) 1.033 27.742 ( -0.290 0.347 -0.401) 0.604 27.840 ( -0.357 0.077 0.238) 0.436 27.880 ( 0.364 -0.849 -1.596) 1.844 27.892 ( 0.165 -3.019 0.699) 3.103 27.939 ( -0.420 -2.241 -1.410) 2.681 27.987 ( -0.081 -1.027 1.676) 1.968 28.039 ( 0.524 -1.290 -0.632) 1.529 28.944 ( 0.158 6.787 3.161) 7.489 29.042 ( -0.082 7.567 -1.849) 7.790 29.292 ( -0.425 2.045 2.389) 3.173 29.327 ( 0.045 3.015 0.807) 3.121 29.492 ( 2.315 2.917 0.019) 3.724 29.529 ( -1.083 1.470 -1.145) 2.155 29.674 ( 1.332 0.375 3.488) 3.753 29.716 ( -0.918 -1.016 1.100) 1.756 30.156 ( 1.948 -0.596 3.452) 4.008 30.199 ( 3.230 0.074 2.453) 4.056 30.303 ( 1.022 -0.415 3.280) 3.461 30.416 ( -1.294 -0.567 -1.536) 2.087 30.518 ( -3.417 3.236 4.793) 6.717 30.709 ( 5.137 -0.959 -1.144) 5.350 30.842 ( 0.944 -2.232 -1.504) 2.852 30.923 ( -5.666 -3.224 -3.308) 7.310 31.216 ( 7.669 5.257 0.533) 9.313 31.478 ( -3.694 -1.077 -11.207) 11.849 31.766 ( -4.492 -2.107 4.924) 6.990 31.918 ( -0.370 -4.863 -3.627) 6.078 32.407 ( 0.453 1.945 6.883) 7.167 32.711 ( 2.632 -0.145 -8.033) 8.455 32.766 ( 2.941 -3.185 2.215) 4.868 32.969 ( -5.659 -3.970 -5.618) 8.908 ======================= Grid point 75 (41/60) ======================= q-point: (-0.33 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -10.835 8.296 17.242) 21.989 1.479 ( -2.541 6.708 -9.063) 11.558 1.547 ( -13.882 2.597 8.601) 16.536 1.841 ( 3.014 -5.927 0.136) 6.650 1.968 ( -0.073 -6.310 2.580) 6.817 2.027 ( -4.613 -4.824 -2.472) 7.118 2.158 ( 5.846 -6.459 -3.028) 9.223 2.198 ( -1.441 -3.976 -1.438) 4.467 2.238 ( -4.030 1.135 1.219) 4.360 2.347 ( -0.338 8.248 2.079) 8.513 2.448 ( 3.063 5.965 -3.373) 7.506 2.461 ( 0.603 5.897 -0.145) 5.930 2.504 ( 3.384 3.855 -1.323) 5.298 2.560 ( -4.656 2.815 2.499) 5.987 2.645 ( 0.515 -2.537 0.350) 2.612 2.694 ( -1.727 -1.005 -3.139) 3.721 2.740 ( -0.863 2.053 3.604) 4.236 2.885 ( -0.177 -0.552 1.380) 1.497 3.060 ( 1.388 -0.168 1.587) 2.115 3.094 ( 2.465 5.460 0.286) 5.998 3.176 ( 4.301 -1.263 0.309) 4.493 3.182 ( -2.395 4.226 3.409) 5.934 3.342 ( 1.736 -2.601 -1.002) 3.283 3.407 ( -2.219 -0.527 -4.926) 5.428 3.452 ( 9.932 2.115 2.133) 10.376 3.541 ( 4.304 -1.161 -0.790) 4.527 3.587 ( 1.077 2.591 0.066) 2.806 3.626 ( -3.035 0.863 3.944) 5.051 3.785 ( 0.632 -0.387 0.382) 0.834 3.897 ( -1.122 -3.001 -0.287) 3.217 3.939 ( 0.931 0.248 0.088) 0.968 4.048 ( 3.313 1.744 1.783) 4.147 4.066 ( -1.206 2.355 4.785) 5.468 4.103 ( -0.642 3.284 2.383) 4.108 4.214 ( 0.488 4.218 -1.322) 4.447 4.323 ( 0.013 1.344 7.050) 7.177 4.364 ( -4.614 0.897 3.495) 5.857 4.425 ( 2.493 0.200 0.725) 2.604 4.482 ( -1.266 9.759 -5.181) 11.121 4.575 ( -1.588 -1.045 -0.868) 2.090 4.630 ( 0.603 0.100 6.427) 6.456 4.791 ( -0.578 -1.033 3.097) 3.316 4.853 ( 0.068 -0.769 10.370) 10.399 4.855 ( 7.746 2.885 1.559) 8.412 4.999 ( 0.042 -3.144 -0.711) 3.224 5.073 ( 0.822 3.211 -3.540) 4.849 5.127 ( -2.375 0.873 0.127) 2.533 5.343 ( 2.101 -6.359 -2.372) 7.105 5.424 ( -0.514 -3.954 4.859) 6.286 5.459 ( -0.856 -4.557 -4.959) 6.789 5.515 ( 1.493 -5.177 -2.078) 5.775 5.601 ( 0.184 -2.921 -2.879) 4.105 5.646 ( 0.490 -4.094 -5.174) 6.616 5.689 ( 2.523 -4.727 -8.785) 10.290 6.035 ( 0.399 0.163 3.291) 3.319 6.142 ( 0.395 0.903 -1.932) 2.169 6.554 ( -3.561 2.982 1.591) 4.910 6.624 ( -1.721 4.458 -3.624) 5.997 6.639 ( -3.082 -1.002 -2.276) 3.960 6.785 ( -0.731 3.319 -1.005) 3.544 7.097 ( 1.186 3.758 -1.682) 4.285 7.126 ( -2.388 0.521 -0.810) 2.575 7.287 ( -3.583 -2.052 8.530) 9.477 7.608 ( -6.615 -5.390 -6.873) 10.957 7.937 ( 1.220 1.816 1.812) 2.841 8.000 ( -0.441 1.974 1.679) 2.629 8.060 ( -3.090 -1.508 -4.875) 5.966 8.150 ( -0.640 -2.486 -2.693) 3.720 8.652 ( 0.686 2.561 0.720) 2.748 8.732 ( 1.215 0.848 -2.231) 2.678 8.885 ( 2.986 -2.963 1.331) 4.412 8.906 ( 2.058 -3.091 -0.284) 3.724 9.487 ( -1.408 -0.073 1.420) 2.001 9.537 ( -1.541 -1.781 1.350) 2.714 9.633 ( -0.413 2.623 -0.524) 2.707 9.815 ( 4.386 -2.346 -2.021) 5.369 10.727 ( 0.206 2.002 0.582) 2.095 10.759 ( -0.350 2.748 -0.713) 2.860 10.896 ( 1.020 -2.897 1.249) 3.315 10.949 ( 0.948 -2.321 0.208) 2.516 10.992 ( 0.142 -3.830 0.509) 3.866 11.072 ( 0.619 -2.696 -1.663) 3.227 11.278 ( -2.233 4.195 0.650) 4.796 11.352 ( -2.888 2.127 -1.693) 3.966 11.662 ( -0.127 0.262 2.501) 2.518 11.735 ( 2.572 -1.007 2.110) 3.476 11.766 ( -0.114 -0.603 -2.314) 2.394 11.843 ( 0.230 -1.196 -3.730) 3.923 12.781 ( 0.841 0.499 3.799) 3.923 12.837 ( 0.514 -0.698 5.762) 5.827 12.964 ( 0.777 1.918 -5.257) 5.650 13.102 ( 0.194 -1.496 -6.475) 6.649 14.309 ( -0.807 0.372 1.084) 1.402 14.329 ( -0.926 0.408 0.503) 1.130 14.594 ( 2.180 -0.355 -0.447) 2.253 14.631 ( 0.736 -0.834 -3.158) 3.349 14.910 ( -1.837 -0.758 0.268) 2.005 14.924 ( -1.771 -1.103 -0.257) 2.102 15.024 ( -1.267 1.716 0.246) 2.147 15.074 ( -0.811 1.308 -0.472) 1.610 15.523 ( 1.131 -0.693 -1.929) 2.341 15.551 ( 2.700 -1.067 -1.230) 3.153 15.762 ( -1.148 0.079 1.006) 1.528 15.779 ( -0.397 0.222 0.762) 0.888 16.006 ( 0.137 0.984 2.180) 2.396 16.032 ( -0.701 0.978 -1.014) 1.574 16.218 ( -1.725 -1.644 2.112) 3.184 16.247 ( -0.720 -1.338 1.201) 1.936 16.870 ( -0.783 -0.750 1.844) 2.139 16.919 ( -1.889 -0.637 -1.586) 2.548 17.081 ( -1.102 3.213 3.347) 4.769 17.155 ( -0.542 0.673 -0.680) 1.100 17.308 ( -0.720 -0.432 0.608) 1.037 17.374 ( 1.460 -1.899 1.236) 2.696 17.401 ( 1.219 1.034 0.409) 1.650 17.485 ( 3.199 -0.440 1.295) 3.479 18.409 ( 1.847 0.635 0.124) 1.957 18.487 ( 1.119 -2.304 -1.732) 3.092 18.676 ( -4.160 2.966 0.434) 5.128 18.785 ( -0.722 3.901 -0.622) 4.016 18.849 ( 0.258 -0.168 2.088) 2.111 18.925 ( 1.118 -1.613 -1.078) 2.239 19.043 ( -1.084 -0.231 0.318) 1.153 19.127 ( 1.235 -0.789 0.296) 1.495 27.712 ( -0.053 -0.117 1.063) 1.071 27.737 ( -0.128 0.470 -0.531) 0.721 27.833 ( -0.243 -0.283 0.075) 0.380 27.884 ( 0.157 -0.476 -1.781) 1.850 27.898 ( 0.306 -2.895 0.896) 3.046 27.934 ( 0.103 -2.970 -1.137) 3.181 27.987 ( -0.050 -0.331 1.612) 1.647 28.050 ( 0.534 -1.295 -0.782) 1.604 28.953 ( 0.392 7.121 3.121) 7.785 29.042 ( 0.235 7.791 -1.680) 7.973 29.313 ( 2.084 1.728 1.803) 3.253 29.362 ( 3.317 3.250 0.809) 4.714 29.515 ( 0.172 0.560 -0.826) 1.013 29.552 ( 2.950 3.072 -0.604) 4.301 29.659 ( -1.747 -0.874 0.888) 2.146 29.749 ( 3.171 1.108 4.153) 5.342 30.205 ( 0.918 -0.130 0.396) 1.008 30.216 ( 0.160 0.931 0.227) 0.971 30.341 ( 1.120 -2.600 1.155) 3.057 30.419 ( 1.877 2.365 -1.964) 3.602 30.476 ( -0.280 1.406 6.618) 6.772 30.804 ( 2.375 -3.749 -3.152) 5.444 30.845 ( 0.858 -4.453 -0.373) 4.550 30.944 ( 6.309 -2.289 0.935) 6.776 31.340 ( -0.997 2.153 -5.244) 5.756 31.377 ( 0.634 2.477 -6.821) 7.284 31.741 ( 2.898 -2.230 6.626) 7.568 31.922 ( 1.119 -3.954 -1.140) 4.265 32.385 ( -2.899 3.098 4.682) 6.319 32.701 ( -3.214 -1.208 -10.576) 11.119 32.748 ( -6.500 -4.505 1.615) 8.072 32.813 ( -7.592 -2.069 -2.021) 8.124 ======================= Grid point 76 (42/60) ======================= q-point: (-0.17 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -9.714 12.785 16.344) 22.912 1.268 ( -11.279 4.430 18.621) 22.217 1.420 ( -2.792 8.178 -12.231) 14.975 1.794 ( -11.356 0.666 3.809) 11.996 1.974 ( 8.003 -7.176 -2.711) 11.085 2.026 ( 4.292 -7.024 4.719) 9.488 2.111 ( -5.137 -7.098 -2.570) 9.131 2.199 ( -0.578 -0.279 2.731) 2.805 2.264 ( 1.614 -2.622 -0.596) 3.136 2.305 ( 0.444 8.596 -2.491) 8.961 2.344 ( -5.983 1.879 3.553) 7.207 2.440 ( -2.447 5.683 7.722) 9.895 2.533 ( 0.326 3.537 2.561) 4.379 2.595 ( -2.642 2.629 1.369) 3.970 2.663 ( 0.324 2.417 -2.637) 3.592 2.738 ( 7.108 -0.195 1.974) 7.379 2.832 ( 7.549 -2.328 -0.841) 7.944 2.879 ( 1.453 -2.743 1.989) 3.687 3.037 ( -4.676 -2.241 1.092) 5.299 3.107 ( 2.063 1.689 5.569) 6.175 3.229 ( 1.870 -3.495 -1.566) 4.262 3.292 ( 4.903 7.679 0.868) 9.152 3.364 ( 4.165 -2.085 -4.839) 6.716 3.415 ( -2.904 0.112 -5.067) 5.841 3.511 ( 3.674 1.515 -3.588) 5.354 3.573 ( 1.911 2.314 9.879) 10.325 3.589 ( -1.183 -0.464 0.673) 1.438 3.718 ( 0.893 1.812 1.896) 2.771 3.773 ( -2.436 -0.572 -1.586) 2.963 3.855 ( -1.800 -2.692 1.471) 3.557 3.902 ( 6.264 -2.902 -1.706) 7.111 4.076 ( -2.758 5.122 4.526) 7.371 4.117 ( 1.005 1.480 -0.361) 1.825 4.180 ( 0.518 3.022 -0.936) 3.205 4.192 ( 3.266 9.188 -3.505) 10.361 4.298 ( -0.475 -0.929 -0.179) 1.058 4.317 ( -3.873 4.313 3.548) 6.796 4.414 ( 1.539 7.194 1.355) 7.481 4.506 ( -0.730 4.964 -2.929) 5.810 4.589 ( 4.644 -1.772 1.782) 5.280 4.647 ( 0.888 -0.505 2.167) 2.395 4.777 ( -0.188 -1.008 4.603) 4.716 4.855 ( -0.488 -1.469 6.864) 7.037 4.964 ( -0.532 -0.857 -3.063) 3.225 5.002 ( -0.614 -2.790 2.090) 3.539 5.081 ( -2.312 0.571 -0.829) 2.522 5.123 ( 6.184 -0.551 -1.734) 6.446 5.348 ( -0.795 -4.705 -0.940) 4.864 5.386 ( -2.356 -4.888 4.788) 7.236 5.422 ( -2.338 -1.601 -3.905) 4.825 5.519 ( 0.128 1.364 -8.002) 8.118 5.617 ( 1.248 -2.977 -3.871) 5.041 5.689 ( 3.419 -9.715 -0.613) 10.317 5.718 ( 1.235 -5.632 -6.974) 9.049 6.069 ( 2.859 0.816 5.943) 6.645 6.174 ( 2.364 0.087 1.376) 2.736 6.482 ( -1.764 3.797 -2.576) 4.916 6.557 ( -4.648 -0.472 -2.466) 5.282 6.593 ( -1.282 2.683 -3.107) 4.301 6.714 ( -6.809 1.955 -1.695) 7.284 7.071 ( -1.214 0.982 2.503) 2.950 7.152 ( 2.383 2.702 -2.435) 4.348 7.245 ( -0.105 -1.319 3.787) 4.011 7.441 ( -9.104 -2.886 -3.261) 10.092 7.928 ( -1.575 2.846 0.181) 3.258 7.961 ( -5.119 -0.029 -2.066) 5.520 8.022 ( 1.773 1.939 1.436) 2.994 8.141 ( -0.358 -2.128 -1.955) 2.912 8.671 ( 1.045 3.261 0.449) 3.453 8.747 ( 0.443 1.187 -2.328) 2.651 8.941 ( 1.296 -3.902 1.722) 4.458 8.952 ( 2.708 -3.301 -0.912) 4.366 9.475 ( 0.147 -0.114 2.030) 2.038 9.528 ( 0.627 -1.836 2.089) 2.851 9.619 ( -0.719 2.576 0.055) 2.675 9.880 ( 1.615 -5.108 -3.619) 6.465 10.732 ( 0.184 1.756 0.089) 1.768 10.749 ( -0.581 2.256 -0.507) 2.385 10.925 ( 1.659 -3.039 0.419) 3.488 10.976 ( 1.362 -2.533 1.064) 3.066 10.997 ( 0.375 -3.443 -0.201) 3.469 11.074 ( -0.485 -2.709 -0.823) 2.872 11.239 ( -1.200 4.157 -0.329) 4.340 11.282 ( -3.347 2.136 -0.941) 4.081 11.664 ( 0.085 0.755 2.319) 2.441 11.760 ( -0.040 0.038 -2.694) 2.694 11.792 ( 1.934 -2.781 0.927) 3.512 11.849 ( 0.710 -1.221 -3.373) 3.657 12.801 ( 0.612 0.165 4.431) 4.476 12.855 ( 0.648 -0.270 5.329) 5.375 12.980 ( 1.299 1.205 -4.909) 5.219 13.100 ( 0.087 -1.407 -6.134) 6.294 14.295 ( -0.556 0.637 0.608) 1.042 14.312 ( -0.735 0.332 0.283) 0.854 14.629 ( 0.684 -1.565 -0.161) 1.715 14.654 ( 1.850 -1.102 -3.306) 3.945 14.879 ( -0.786 -0.097 -0.165) 0.809 14.888 ( -1.437 -0.360 -0.434) 1.544 14.996 ( -1.267 2.048 0.158) 2.413 15.039 ( -2.448 1.768 -0.137) 3.023 15.555 ( 1.832 -0.845 -1.292) 2.396 15.596 ( 1.483 -1.262 -1.499) 2.458 15.741 ( -0.926 0.376 1.091) 1.480 15.769 ( -0.614 0.522 0.591) 0.999 15.999 ( -0.972 0.292 1.326) 1.670 16.020 ( -0.360 0.783 -1.182) 1.463 16.185 ( -1.454 -1.826 2.252) 3.243 16.225 ( -1.302 -1.464 0.910) 2.160 16.854 ( -0.795 -0.353 0.890) 1.244 16.879 ( -1.496 0.048 -0.989) 1.794 17.055 ( -1.543 3.077 2.970) 4.546 17.142 ( -0.569 0.200 -1.749) 1.850 17.309 ( 0.638 0.078 1.849) 1.957 17.402 ( 0.794 -1.635 -0.423) 1.866 17.471 ( 5.467 -0.601 3.239) 6.383 17.537 ( 1.518 -0.384 2.666) 3.092 18.470 ( 3.728 0.616 0.560) 3.820 18.496 ( -0.276 -1.611 0.762) 1.804 18.599 ( -3.052 3.853 -0.445) 4.936 18.730 ( -3.355 3.048 -3.014) 5.443 18.873 ( 1.620 1.537 1.133) 2.504 18.950 ( -0.098 0.197 0.868) 0.895 19.029 ( 0.500 -0.085 -0.124) 0.522 19.141 ( -0.070 -1.266 -0.633) 1.417 27.709 ( -0.308 -0.082 0.992) 1.042 27.737 ( 0.178 0.298 -0.722) 0.801 27.832 ( 0.161 -0.504 -0.125) 0.544 27.883 ( -0.148 -1.444 -1.886) 2.380 27.902 ( 0.055 -2.260 0.816) 2.404 27.940 ( 0.538 -3.008 -1.073) 3.239 27.987 ( -0.023 0.256 1.892) 1.910 28.057 ( 0.102 -1.113 -0.782) 1.364 28.963 ( 0.271 7.551 3.180) 8.198 29.049 ( 0.559 8.188 -1.629) 8.367 29.365 ( 2.643 1.922 1.364) 3.542 29.441 ( 3.367 4.371 0.861) 5.584 29.527 ( 1.482 -0.682 0.561) 1.725 29.604 ( 2.053 2.553 -1.084) 3.451 29.632 ( -0.897 0.210 -0.020) 0.922 29.834 ( 4.624 -0.183 4.281) 6.304 30.101 ( -8.450 3.119 -1.495) 9.131 30.306 ( 5.420 -1.509 1.479) 5.817 30.339 ( -0.543 -2.334 -4.064) 4.718 30.467 ( 2.535 2.894 0.910) 3.954 30.501 ( 0.508 -0.232 2.613) 2.672 30.759 ( -4.380 -3.540 -0.577) 5.662 30.904 ( 1.814 -5.431 -0.970) 5.807 31.067 ( 3.404 -1.700 1.610) 4.132 31.225 ( -3.186 -2.106 -5.072) 6.350 31.477 ( 5.512 -2.270 -3.204) 6.768 31.938 ( 15.349 -0.385 5.526) 16.318 31.979 ( 5.367 -0.457 0.930) 5.466 32.317 ( -3.514 2.649 1.086) 4.533 32.523 ( -12.786 -2.654 -2.417) 13.280 32.564 ( -8.743 -0.526 -8.576) 12.258 32.679 ( -7.536 -2.334 2.446) 8.260 ======================= Grid point 77 (43/60) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -5.508 17.454 8.092) 20.011 1.488 ( 3.782 13.156 10.312) 17.138 1.513 ( -2.275 -5.990 -1.314) 6.541 1.697 ( 1.778 -2.361 1.232) 3.202 1.803 ( 2.923 0.947 1.282) 3.330 2.024 ( 7.248 -10.470 -6.492) 14.294 2.085 ( 6.682 0.504 0.188) 6.704 2.163 ( 5.363 -5.627 -4.500) 8.982 2.208 ( 0.671 1.844 5.119) 5.482 2.303 ( 2.657 -4.728 -0.452) 5.442 2.480 ( -2.149 5.569 -2.877) 6.626 2.530 ( -0.277 0.271 3.168) 3.192 2.555 ( -1.438 -1.001 -0.607) 1.855 2.564 ( -6.052 -0.434 -2.440) 6.540 2.682 ( 2.205 1.599 3.296) 4.276 2.714 ( 3.356 -0.017 -1.994) 3.904 2.859 ( -4.857 1.025 1.159) 5.097 2.915 ( -3.248 -0.660 0.467) 3.347 3.010 ( 0.694 2.914 -3.021) 4.255 3.078 ( -1.674 -2.754 -4.196) 5.291 3.207 ( -3.338 11.388 10.486) 15.836 3.330 ( -5.824 4.375 6.307) 9.635 3.407 ( -4.452 -3.809 8.057) 9.962 3.446 ( -2.196 -3.377 4.966) 6.394 3.484 ( -1.520 0.869 2.467) 3.025 3.585 ( -0.952 -0.055 -0.752) 1.215 3.633 ( -2.035 -8.255 5.751) 10.265 3.642 ( 3.240 -0.983 -0.031) 3.386 3.898 ( 2.606 4.052 1.326) 4.997 3.941 ( 8.751 7.184 0.515) 11.333 3.993 ( 5.693 -2.643 3.632) 7.252 4.099 ( 1.415 -1.895 2.930) 3.765 4.130 ( -1.087 -0.818 2.457) 2.808 4.150 ( -5.188 0.591 -1.225) 5.363 4.282 ( -1.919 11.754 -3.787) 12.497 4.374 ( -0.180 7.178 -4.877) 8.680 4.480 ( -0.344 -1.711 1.190) 2.112 4.512 ( 0.447 -1.756 -5.739) 6.018 4.575 ( -1.252 1.463 -7.291) 7.541 4.593 ( 0.515 -3.287 -2.033) 3.899 4.720 ( -0.789 -0.697 5.938) 6.030 4.760 ( 3.391 -0.769 3.393) 4.858 4.831 ( 2.807 1.157 0.184) 3.042 4.862 ( -0.382 -1.184 5.533) 5.671 4.967 ( 1.461 6.390 -3.991) 7.674 5.068 ( -3.228 3.129 4.024) 6.033 5.111 ( -3.462 -3.873 7.428) 9.064 5.186 ( -2.456 -8.097 -0.597) 8.482 5.279 ( -2.664 -0.310 1.710) 3.180 5.388 ( -1.741 -8.490 -3.460) 9.332 5.498 ( 1.136 0.926 -3.412) 3.713 5.562 ( 3.624 -2.736 -8.204) 9.377 5.611 ( 0.166 0.536 -7.808) 7.828 5.653 ( 0.356 -2.819 -8.490) 8.953 6.128 ( 1.286 0.871 2.821) 3.221 6.168 ( 1.756 -2.680 1.393) 3.494 6.518 ( -2.156 3.106 -0.178) 3.785 6.554 ( -2.865 -0.178 -1.312) 3.156 6.598 ( 0.567 1.588 -0.115) 1.690 6.624 ( 3.637 -0.698 -1.226) 3.901 7.180 ( 2.454 4.062 0.663) 4.792 7.197 ( -1.101 3.318 -0.383) 3.517 7.239 ( -0.724 -2.272 0.747) 2.498 7.284 ( 2.229 -3.516 -1.285) 4.357 7.926 ( -0.547 1.979 0.375) 2.087 7.951 ( -0.651 0.703 -0.983) 1.373 8.066 ( 0.155 0.270 -0.744) 0.806 8.090 ( -0.025 -1.637 -1.999) 2.584 8.752 ( -1.043 3.024 1.076) 3.375 8.812 ( 0.406 1.099 -0.582) 1.308 8.844 ( -0.385 -1.411 -0.269) 1.487 8.915 ( 1.542 -4.119 -2.323) 4.974 9.502 ( 1.503 0.727 2.511) 3.016 9.523 ( 1.365 -1.147 2.599) 3.152 9.650 ( -1.232 2.145 -0.061) 2.475 9.721 ( -3.487 -4.710 -1.604) 6.075 10.787 ( -0.049 2.925 -0.348) 2.946 10.793 ( -0.349 2.486 -0.671) 2.598 10.900 ( 1.037 -2.237 -0.335) 2.488 10.904 ( -0.261 -2.883 -0.384) 2.920 10.971 ( 0.120 -1.136 1.347) 1.766 10.988 ( -1.143 -2.655 0.732) 2.982 11.275 ( -0.325 1.286 -0.801) 1.550 11.287 ( 0.681 0.413 -1.290) 1.516 11.703 ( 0.309 1.792 0.823) 1.996 11.743 ( -0.250 -1.975 0.842) 2.162 11.782 ( 0.412 1.699 -3.248) 3.689 11.827 ( 0.930 -2.238 -3.448) 4.215 12.814 ( -0.516 0.937 4.729) 4.849 12.842 ( -0.430 -1.531 4.653) 4.917 13.020 ( 0.141 1.804 -5.144) 5.453 13.063 ( 0.300 -2.072 -5.721) 6.092 14.304 ( -0.010 0.430 0.558) 0.705 14.309 ( 0.045 -0.023 0.410) 0.413 14.619 ( 0.299 1.014 -1.803) 2.090 14.653 ( 1.337 -2.012 -3.181) 3.994 14.870 ( -0.085 0.847 -0.201) 0.874 14.888 ( 0.845 -0.717 -1.028) 1.512 15.017 ( -0.486 0.941 0.926) 1.407 15.021 ( -1.418 0.603 0.795) 1.734 15.566 ( -0.166 0.393 -0.839) 0.942 15.584 ( 0.147 -1.122 -1.834) 2.155 15.754 ( 0.497 0.823 1.073) 1.441 15.767 ( 0.150 -0.197 0.434) 0.500 15.993 ( -1.012 1.412 1.589) 2.355 16.019 ( -0.178 -0.756 0.600) 0.982 16.157 ( 0.703 -0.062 0.863) 1.114 16.175 ( 0.173 -1.474 0.152) 1.492 16.842 ( -0.916 0.710 -0.291) 1.195 16.859 ( -0.235 -0.866 -1.030) 1.366 17.097 ( -0.047 2.560 1.482) 2.958 17.135 ( 0.596 -0.931 -0.384) 1.170 17.346 ( 1.039 1.212 2.254) 2.762 17.378 ( 0.630 -1.721 1.110) 2.143 17.531 ( -0.577 -0.344 2.767) 2.847 17.533 ( 0.529 -0.499 2.780) 2.873 18.499 ( -0.201 0.727 2.543) 2.652 18.518 ( 0.159 -0.989 2.440) 2.638 18.647 ( -0.497 4.580 -1.434) 4.825 18.718 ( 1.129 -1.522 -4.245) 4.648 18.950 ( 1.482 1.574 1.236) 2.490 18.961 ( -0.165 1.058 0.954) 1.434 19.042 ( -0.640 0.599 -0.136) 0.887 19.081 ( -1.437 -2.245 -1.446) 3.032 27.713 ( -0.241 1.102 0.382) 1.191 27.740 ( -0.005 -0.763 -1.024) 1.278 27.815 ( 0.206 -0.534 0.062) 0.576 27.836 ( 0.071 -1.576 -1.420) 2.123 27.884 ( -0.036 0.256 0.251) 0.360 27.905 ( 0.414 -1.624 -0.649) 1.797 27.999 ( -0.215 0.922 0.838) 1.264 28.025 ( -0.347 -1.431 -0.295) 1.501 29.119 ( -0.521 5.650 2.894) 6.369 29.169 ( -0.304 1.364 0.531) 1.495 29.463 ( 1.296 3.464 3.596) 5.158 29.527 ( 0.013 -0.844 1.718) 1.914 29.584 ( 2.806 1.515 2.899) 4.309 29.616 ( 0.124 -0.618 0.814) 1.029 29.720 ( -0.381 4.652 -2.129) 5.130 29.805 ( -4.331 -2.637 -4.456) 6.751 30.060 ( -5.256 5.726 5.480) 9.510 30.183 ( -7.205 -5.862 2.557) 9.634 30.330 ( 1.011 0.717 -2.307) 2.619 30.379 ( 0.657 -3.095 -2.041) 3.765 30.668 ( 6.342 5.952 3.537) 9.389 30.795 ( 0.766 -4.450 -1.172) 4.665 30.892 ( 6.054 7.519 3.954) 10.432 31.065 ( -0.484 -7.572 2.755) 8.072 31.120 ( -3.435 5.229 -4.101) 7.481 31.311 ( -4.311 -11.537 -5.254) 13.389 32.115 ( 2.720 0.793 0.182) 2.839 32.136 ( 0.974 -1.208 -0.159) 1.560 32.294 ( -1.550 0.494 -1.039) 1.931 32.302 ( -2.481 -0.230 -1.615) 2.969 32.514 ( 0.667 -0.210 -2.468) 2.565 32.526 ( 4.329 -1.251 -3.110) 5.475 ======================= Grid point 78 (44/60) ======================= q-point: ( 0.17 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 9.801 13.487 3.141) 16.966 1.525 ( 3.757 -5.702 4.541) 8.201 1.606 ( 7.011 6.408 2.296) 9.771 1.773 ( 3.345 -5.810 -3.296) 7.470 1.903 ( 4.320 9.836 -1.074) 10.796 2.109 ( 0.354 -5.568 -3.513) 6.593 2.182 ( 0.902 1.623 -3.108) 3.621 2.228 ( 0.009 -3.334 -1.446) 3.634 2.289 ( 7.973 -3.767 -4.131) 9.738 2.337 ( 0.324 -3.596 4.113) 5.473 2.421 ( -5.292 2.100 4.239) 7.098 2.440 ( -0.514 1.090 -1.569) 1.978 2.527 ( -0.720 1.682 1.547) 2.396 2.592 ( 5.713 0.491 -0.784) 5.787 2.715 ( -5.226 3.052 -4.670) 7.644 2.733 ( -1.610 2.467 2.093) 3.614 2.796 ( 3.239 3.564 0.612) 4.855 2.837 ( -1.054 -3.146 1.901) 3.824 3.016 ( 0.915 1.043 -2.901) 3.216 3.033 ( -2.856 0.515 -3.275) 4.376 3.165 ( -8.097 3.806 7.121) 11.435 3.216 ( 2.610 5.521 9.974) 11.695 3.291 ( -5.704 -3.203 4.667) 8.036 3.392 ( -3.948 -2.094 3.046) 5.408 3.460 ( -2.583 -2.614 4.319) 5.671 3.524 ( -3.094 -3.922 2.878) 5.765 3.617 ( -3.084 0.813 0.889) 3.311 3.680 ( 2.878 -8.043 1.509) 8.675 3.923 ( -1.248 5.006 4.459) 6.820 3.965 ( -6.397 1.400 1.378) 6.692 4.031 ( -2.041 4.701 -3.484) 6.197 4.095 ( 2.696 5.111 2.901) 6.466 4.135 ( 3.019 -2.439 7.359) 8.319 4.183 ( 1.730 -2.059 -1.634) 3.147 4.275 ( -0.515 6.146 1.214) 6.286 4.356 ( 1.425 8.154 -10.116) 13.071 4.430 ( -3.887 -2.048 0.049) 4.394 4.544 ( -1.518 0.640 -3.659) 4.012 4.552 ( 3.615 1.517 -4.463) 5.941 4.615 ( 0.336 -3.732 -0.109) 3.749 4.712 ( 1.084 0.950 4.245) 4.483 4.740 ( -0.399 -1.230 5.118) 5.279 4.892 ( -5.367 5.969 6.418) 10.277 4.910 ( -1.031 2.451 7.712) 8.157 4.994 ( 0.206 -0.905 2.307) 2.487 5.005 ( 5.848 -1.622 -0.267) 6.074 5.085 ( 0.294 -3.478 1.756) 3.908 5.137 ( -2.944 -6.556 -0.971) 7.252 5.222 ( -2.054 -0.278 -1.093) 2.344 5.328 ( -1.905 -8.228 -1.240) 8.536 5.484 ( -2.421 4.744 -3.836) 6.563 5.588 ( 0.210 0.435 -7.815) 7.830 5.609 ( -0.711 -6.318 -7.158) 9.574 5.632 ( -1.405 -3.321 -7.373) 8.208 6.137 ( -1.200 2.437 1.920) 3.326 6.185 ( -0.493 -1.914 0.844) 2.150 6.517 ( 3.753 1.318 -1.469) 4.240 6.529 ( 0.952 0.518 -0.105) 1.089 6.669 ( 5.012 4.010 -1.642) 6.625 6.750 ( 6.496 -2.989 -2.018) 7.430 7.166 ( -1.636 4.909 1.897) 5.511 7.191 ( 1.293 2.735 -0.473) 3.062 7.294 ( 3.003 -1.628 -0.362) 3.435 7.364 ( 5.195 -5.756 -2.296) 8.087 7.944 ( 1.678 2.788 -0.082) 3.255 7.976 ( 3.275 -0.140 -1.224) 3.499 8.060 ( -0.688 -0.595 -0.165) 0.924 8.079 ( -0.831 -1.689 -2.115) 2.831 8.728 ( -1.144 2.461 0.312) 2.731 8.792 ( -1.552 -3.128 1.330) 3.737 8.832 ( -1.564 3.212 -2.098) 4.143 8.910 ( -1.905 -3.599 -1.516) 4.345 9.526 ( 0.599 0.542 1.453) 1.663 9.539 ( 0.375 -0.673 0.451) 0.892 9.647 ( 0.485 -0.204 2.148) 2.212 9.662 ( -1.608 -1.680 -0.504) 2.379 10.787 ( 0.142 3.115 -0.232) 3.127 10.791 ( 0.073 2.137 -0.401) 2.175 10.889 ( -0.999 -1.876 -0.534) 2.192 10.911 ( 0.188 -2.866 -0.463) 2.909 10.953 ( -1.703 -1.031 1.391) 2.429 10.975 ( -0.222 -2.869 0.995) 3.045 11.300 ( 2.506 1.763 -0.989) 3.219 11.322 ( 2.580 -0.183 -1.161) 2.835 11.702 ( -0.415 1.434 0.692) 1.645 11.729 ( -1.003 -1.203 1.202) 1.974 11.787 ( 0.234 2.095 -3.318) 3.932 11.836 ( 0.093 -2.291 -3.679) 4.335 12.802 ( -0.925 1.047 4.661) 4.866 12.829 ( -1.132 -1.368 5.038) 5.342 13.014 ( -0.229 2.126 -5.181) 5.605 13.064 ( 0.223 -2.438 -5.906) 6.393 14.309 ( 0.539 0.473 0.522) 0.887 14.319 ( 0.786 -0.394 0.471) 0.997 14.614 ( -0.769 1.777 -2.218) 2.944 14.661 ( -0.577 -2.450 -3.156) 4.036 14.881 ( 1.330 1.379 -0.645) 2.021 14.914 ( 1.766 -1.587 -1.211) 2.665 15.013 ( 0.580 1.292 1.458) 2.033 15.024 ( 0.849 0.168 1.465) 1.702 15.540 ( -1.871 1.035 -0.978) 2.352 15.568 ( -1.500 -1.530 -1.318) 2.515 15.773 ( 1.023 0.274 0.486) 1.165 15.775 ( 0.442 0.263 -0.001) 0.515 15.985 ( 0.289 2.100 1.719) 2.729 16.023 ( 0.578 -1.211 0.987) 1.666 16.185 ( 1.579 -0.472 0.821) 1.841 16.192 ( 1.262 -0.942 0.498) 1.651 16.834 ( 0.326 0.720 0.551) 0.964 16.862 ( 0.653 -1.865 -0.568) 2.056 17.113 ( 1.357 3.223 1.320) 3.738 17.160 ( 1.716 -1.034 -0.665) 2.111 17.358 ( -0.073 0.876 1.260) 1.536 17.378 ( -0.559 -1.002 -0.059) 1.149 17.489 ( -3.201 0.813 2.232) 3.986 17.515 ( -2.698 -1.597 2.960) 4.312 18.477 ( -1.876 0.071 0.928) 2.095 18.485 ( -2.460 -0.466 0.964) 2.683 18.677 ( 2.608 4.709 -0.272) 5.390 18.764 ( 2.595 -2.563 -1.525) 3.953 18.943 ( -1.186 2.455 -0.857) 2.858 18.980 ( 1.168 -0.374 0.172) 1.239 19.005 ( -2.265 1.327 0.088) 2.627 19.059 ( -0.814 -2.593 0.938) 2.875 27.710 ( -0.043 1.124 0.362) 1.182 27.740 ( 0.076 -1.064 -0.854) 1.367 27.820 ( 0.292 -0.548 0.149) 0.638 27.841 ( 0.468 -1.284 -1.285) 1.875 27.879 ( -0.478 0.486 -0.044) 0.683 27.906 ( -0.211 -1.993 -0.913) 2.202 27.993 ( -0.374 0.747 1.011) 1.311 28.015 ( -0.517 -1.220 -0.054) 1.326 29.103 ( -1.193 5.507 3.124) 6.443 29.159 ( -0.734 0.623 0.753) 1.222 29.467 ( -1.211 3.796 3.230) 5.129 29.509 ( -2.007 1.068 0.182) 2.281 29.613 ( -2.867 2.981 -1.999) 4.594 29.631 ( -4.088 2.116 0.679) 4.653 29.634 ( -0.594 0.190 1.082) 1.249 29.680 ( -2.955 -1.139 1.277) 3.415 30.049 ( 1.769 0.433 7.729) 7.941 30.086 ( -1.739 -2.968 4.664) 5.795 30.353 ( 0.661 1.487 -1.198) 2.020 30.399 ( 0.697 -2.758 0.211) 2.853 30.742 ( -3.228 2.941 -4.696) 6.412 30.751 ( 0.580 3.919 1.119) 4.116 30.920 ( -6.587 6.021 -4.104) 9.823 31.049 ( 4.835 2.992 4.214) 7.077 31.153 ( -6.443 -10.218 -4.160) 12.776 31.221 ( 6.111 -8.614 0.286) 10.565 32.031 ( -7.823 0.736 -0.191) 7.860 32.057 ( -7.291 -1.635 -2.085) 7.757 32.281 ( 3.855 3.786 1.837) 5.707 32.381 ( 6.268 -5.060 0.472) 8.070 32.602 ( 7.821 5.557 -4.473) 10.585 32.735 ( 10.677 -6.993 -5.477) 13.889 ======================= Grid point 79 (45/60) ======================= q-point: ( 0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 12.420 7.171 -0.363) 14.346 1.622 ( 3.095 0.689 1.768) 3.630 1.749 ( 6.539 -0.271 -4.136) 7.742 1.785 ( -1.921 -2.259 -5.506) 6.254 1.880 ( -4.088 3.575 -1.054) 5.532 2.011 ( -6.642 -7.255 -5.050) 11.057 2.089 ( -6.501 2.327 -1.947) 7.174 2.194 ( -9.516 -5.784 -0.524) 11.149 2.337 ( 2.001 4.669 -0.433) 5.098 2.382 ( 4.798 5.246 5.831) 9.195 2.433 ( 1.648 -1.579 4.952) 5.452 2.491 ( 6.043 -2.318 2.623) 6.983 2.565 ( 2.611 5.882 6.018) 8.811 2.662 ( 0.048 -0.374 -2.907) 2.931 2.699 ( 3.223 -0.578 -6.834) 7.578 2.733 ( 3.930 0.233 -2.680) 4.762 2.797 ( -3.970 0.801 -0.180) 4.054 2.864 ( 0.915 -0.049 3.756) 3.866 2.976 ( 1.079 4.822 -1.051) 5.052 3.049 ( 2.104 -1.661 -3.675) 4.549 3.113 ( -4.081 0.141 2.660) 4.874 3.145 ( -0.506 -2.827 2.621) 3.888 3.275 ( -6.483 1.779 0.748) 6.764 3.320 ( -1.174 -1.898 1.741) 2.830 3.449 ( 4.862 6.497 7.957) 11.365 3.508 ( 1.410 1.671 0.084) 2.188 3.554 ( -0.314 -0.202 -1.933) 1.969 3.744 ( -0.636 -6.489 -2.711) 7.061 3.815 ( -2.665 4.271 4.243) 6.583 3.912 ( -0.060 -4.836 5.977) 7.688 4.008 ( -8.922 7.508 1.460) 11.752 4.047 ( 1.527 4.227 2.052) 4.941 4.181 ( -0.334 -3.161 4.993) 5.919 4.196 ( 1.550 3.199 2.364) 4.269 4.302 ( -2.649 -1.437 1.014) 3.180 4.336 ( 1.027 -6.770 -0.758) 6.889 4.425 ( 1.914 7.333 -5.688) 9.476 4.483 ( -4.000 2.937 0.593) 4.998 4.581 ( -2.592 -1.489 5.524) 6.281 4.617 ( 0.763 -2.340 -3.456) 4.243 4.736 ( 0.654 2.908 4.440) 5.347 4.755 ( -0.410 0.550 6.673) 6.708 4.800 ( -0.742 4.792 7.922) 9.289 4.862 ( -2.537 3.305 8.956) 9.878 5.005 ( -3.902 -0.420 1.556) 4.221 5.056 ( 2.958 -1.124 -3.018) 4.373 5.097 ( 0.815 -5.869 1.461) 6.103 5.104 ( -0.229 -5.684 1.646) 5.922 5.251 ( 4.229 0.693 -1.757) 4.631 5.331 ( 0.314 -3.660 -0.155) 3.677 5.439 ( -0.148 2.577 -4.397) 5.099 5.555 ( -3.036 -8.189 -6.801) 11.069 5.582 ( 0.179 0.269 -9.233) 9.238 5.613 ( 0.069 -2.655 -9.455) 9.821 6.091 ( -2.616 3.313 1.555) 4.499 6.162 ( -1.871 -2.906 -1.125) 3.635 6.579 ( 3.262 2.698 1.211) 4.403 6.616 ( 4.738 -0.526 0.851) 4.842 6.753 ( 2.957 5.034 -3.372) 6.742 6.844 ( 2.665 -2.775 -4.320) 5.785 7.150 ( -0.060 6.023 3.327) 6.881 7.235 ( 2.423 2.753 0.928) 3.783 7.312 ( -0.622 -0.019 1.368) 1.503 7.469 ( 4.547 -9.732 -4.980) 11.840 7.966 ( 0.002 4.137 -0.025) 4.137 8.034 ( -0.509 0.191 -0.323) 0.632 8.051 ( 1.695 -2.918 -1.913) 3.879 8.063 ( 0.377 -2.362 -2.445) 3.421 8.714 ( -0.188 2.352 -0.387) 2.391 8.770 ( -0.873 -1.705 -0.150) 1.921 8.780 ( -2.583 1.804 0.132) 3.154 8.853 ( -3.055 -3.590 -0.601) 4.751 9.536 ( 0.274 0.480 0.607) 0.821 9.550 ( 0.534 -0.710 -0.443) 0.993 9.656 ( 0.317 -0.118 1.528) 1.565 9.660 ( 1.190 -0.405 -0.127) 1.264 10.787 ( -0.132 2.567 0.304) 2.589 10.798 ( 0.626 1.736 -0.681) 1.967 10.874 ( -0.251 -0.828 -0.259) 0.903 10.903 ( -1.364 -0.783 0.639) 1.697 10.929 ( -0.352 -1.804 0.996) 2.090 10.972 ( -0.081 -4.128 -0.153) 4.131 11.357 ( 2.758 1.703 -1.027) 3.401 11.373 ( 2.262 0.289 -0.977) 2.481 11.690 ( -0.825 1.153 1.250) 1.890 11.709 ( -1.042 -0.667 1.817) 2.199 11.784 ( -0.212 1.556 -3.238) 3.599 11.826 ( -0.670 -2.109 -3.803) 4.400 12.789 ( -0.652 1.032 4.447) 4.611 12.812 ( -0.838 -1.108 5.217) 5.399 13.007 ( 0.013 2.552 -5.371) 5.946 13.062 ( 0.132 -2.583 -6.057) 6.586 14.323 ( 0.599 0.575 0.791) 1.147 14.336 ( 0.696 -0.529 0.591) 1.055 14.590 ( -1.147 1.711 -2.080) 2.927 14.632 ( -1.582 -2.088 -2.882) 3.895 14.913 ( 1.396 1.037 -0.262) 1.758 14.940 ( 0.530 -1.479 -0.217) 1.586 15.043 ( 2.073 0.756 0.483) 2.258 15.047 ( 1.186 0.349 1.152) 1.689 15.505 ( -1.167 0.970 -1.177) 1.920 15.532 ( -1.725 -1.426 -1.383) 2.631 15.780 ( 0.068 0.387 0.083) 0.401 15.786 ( 0.143 -0.269 0.038) 0.307 16.006 ( 1.423 2.229 1.989) 3.309 16.041 ( 0.955 -0.877 1.020) 1.650 16.212 ( 0.934 -0.646 0.878) 1.435 16.215 ( 0.683 -0.837 1.455) 1.812 16.852 ( 1.108 0.602 1.191) 1.734 16.882 ( 1.179 -2.259 -0.125) 2.551 17.146 ( 1.517 3.481 1.549) 4.101 17.190 ( 1.031 -0.547 -0.603) 1.314 17.349 ( -0.757 0.219 -0.124) 0.797 17.361 ( -1.033 -0.851 -0.706) 1.513 17.427 ( -2.525 0.825 1.771) 3.193 17.449 ( -3.482 -1.013 2.451) 4.377 18.440 ( -1.439 -0.052 -0.316) 1.474 18.444 ( -1.549 -0.361 -0.595) 1.698 18.728 ( 2.367 3.232 1.410) 4.247 18.797 ( 0.729 -2.729 1.512) 3.204 18.902 ( -2.773 3.744 -0.715) 4.714 18.965 ( -1.244 -0.768 -2.699) 3.070 19.020 ( 1.707 -0.301 1.222) 2.121 19.048 ( 0.049 -1.986 1.335) 2.393 27.712 ( 0.186 1.064 0.361) 1.139 27.741 ( 0.119 -1.106 -0.829) 1.388 27.826 ( 0.219 -0.314 0.489) 0.621 27.851 ( 0.620 -1.247 -0.850) 1.632 27.867 ( -0.589 0.383 -0.405) 0.811 27.896 ( -0.714 -2.178 -1.146) 2.563 27.988 ( -0.221 0.668 0.999) 1.222 28.008 ( -0.146 -1.185 0.028) 1.194 29.085 ( -0.670 5.442 3.088) 6.293 29.146 ( -0.431 0.228 0.396) 0.629 29.412 ( -5.075 3.485 1.184) 6.269 29.425 ( -3.402 2.681 0.213) 4.337 29.552 ( 0.084 4.354 -0.563) 4.391 29.600 ( -1.457 1.386 0.275) 2.030 29.643 ( 1.442 -0.505 0.526) 1.615 29.669 ( -0.111 -3.343 3.573) 4.894 30.097 ( 2.267 -0.256 6.441) 6.833 30.108 ( 2.813 -1.144 6.970) 7.603 30.342 ( -1.560 2.077 0.477) 2.641 30.397 ( -0.974 -3.057 0.652) 3.274 30.693 ( -1.213 4.955 -3.500) 6.187 30.718 ( -2.439 5.325 -0.093) 5.857 30.805 ( -3.493 -1.276 -4.563) 5.886 30.950 ( -8.855 -9.602 -4.001) 13.661 31.202 ( 7.355 7.809 1.230) 10.798 31.370 ( 6.166 -7.622 -2.004) 10.007 31.871 ( -7.656 0.466 0.097) 7.671 31.903 ( -6.878 -2.415 -3.607) 8.134 32.395 ( 5.709 4.263 5.193) 8.817 32.517 ( 6.348 -6.677 3.093) 9.719 32.738 ( 5.220 5.913 -6.535) 10.243 32.876 ( 3.569 -7.078 -6.640) 10.340 ======================= Grid point 80 (46/60) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -7.655 3.072 5.253) 9.779 1.607 ( -2.048 1.414 -0.654) 2.573 1.762 ( -2.689 2.274 -5.084) 6.184 1.813 ( -0.346 2.041 -3.343) 3.932 1.853 ( -0.013 -1.251 -5.567) 5.706 1.947 ( 0.693 -6.703 -9.175) 11.384 2.024 ( -4.209 -2.174 2.210) 5.227 2.048 ( 3.854 -3.718 -2.473) 5.898 2.351 ( 0.734 5.223 7.828) 9.439 2.405 ( -1.908 1.321 4.279) 4.868 2.506 ( 1.618 4.174 2.458) 5.107 2.567 ( -1.537 -1.936 4.816) 5.413 2.601 ( 2.493 1.684 0.474) 3.045 2.636 ( -3.679 1.250 -0.503) 3.918 2.694 ( -2.134 -0.051 0.453) 2.183 2.713 ( -1.818 0.126 3.403) 3.860 2.844 ( 5.174 4.324 -1.913) 7.009 2.885 ( -2.549 1.467 -3.002) 4.203 2.992 ( 1.652 0.001 0.034) 1.652 3.071 ( -3.687 -3.123 -1.459) 5.048 3.106 ( 4.192 0.917 -5.381) 6.883 3.151 ( 5.030 -3.513 -3.014) 6.835 3.225 ( 2.751 -0.554 -0.872) 2.938 3.309 ( 4.707 -5.159 -0.472) 7.000 3.495 ( -0.841 5.531 -0.907) 5.668 3.521 ( -2.045 5.339 -1.167) 5.835 3.697 ( 7.856 2.932 3.012) 8.910 3.731 ( 0.754 0.759 3.398) 3.562 3.759 ( -3.570 5.744 2.196) 7.111 3.846 ( -1.533 5.296 2.132) 5.912 3.983 ( 1.094 -5.665 5.235) 7.790 4.059 ( -2.219 -8.972 0.305) 9.247 4.115 ( -2.716 5.263 6.030) 8.452 4.216 ( -2.734 6.728 5.961) 9.395 4.259 ( 0.271 -4.758 2.133) 5.221 4.331 ( -0.984 -2.422 0.308) 2.633 4.411 ( -1.397 6.091 -1.915) 6.536 4.462 ( 0.295 3.026 -0.375) 3.064 4.507 ( -3.115 -1.628 3.677) 5.086 4.633 ( 1.469 -5.609 7.866) 9.772 4.737 ( -1.017 4.592 5.622) 7.329 4.769 ( -0.452 8.257 3.940) 9.160 4.795 ( 0.572 -1.066 5.936) 6.058 4.851 ( 0.527 3.717 4.199) 5.633 4.979 ( 0.570 -1.262 0.959) 1.685 5.094 ( 1.819 -4.811 0.604) 5.179 5.120 ( 1.344 -5.705 -0.321) 5.870 5.131 ( 2.913 -5.266 0.147) 6.020 5.285 ( -1.266 2.694 1.346) 3.267 5.341 ( 1.450 -1.662 3.102) 3.806 5.445 ( -0.973 -1.650 -6.697) 6.966 5.516 ( 0.570 -7.395 -9.596) 12.128 5.592 ( 1.717 0.563 -10.943) 11.091 5.616 ( 0.814 -1.556 -10.887) 11.028 6.055 ( -0.901 2.549 1.596) 3.139 6.124 ( -1.285 -3.213 -1.463) 3.757 6.628 ( 1.070 3.038 1.582) 3.589 6.678 ( 0.644 -1.212 2.537) 2.885 6.772 ( -0.775 5.223 -4.046) 6.652 6.842 ( -1.741 -0.551 -3.591) 4.029 7.157 ( -0.307 3.643 2.818) 4.616 7.250 ( -1.730 -2.088 5.444) 6.082 7.300 ( -0.308 6.994 -1.460) 7.151 7.512 ( -0.140 -10.277 -5.235) 11.534 7.962 ( 0.415 3.267 0.650) 3.356 8.013 ( -0.310 -1.162 0.019) 1.203 8.061 ( -0.115 -0.496 -2.622) 2.671 8.089 ( 0.627 -3.159 -2.939) 4.360 8.716 ( 0.001 3.512 -0.104) 3.513 8.738 ( -0.073 1.921 -0.935) 2.138 8.781 ( 1.251 -2.765 0.886) 3.161 8.811 ( -0.759 -3.992 -0.687) 4.122 9.525 ( -1.539 0.561 1.202) 2.032 9.542 ( -1.482 -1.045 0.963) 2.053 9.672 ( 1.241 1.527 -0.652) 2.073 9.703 ( 2.882 -1.402 -1.432) 3.510 10.784 ( -0.155 2.488 0.322) 2.514 10.810 ( 0.591 0.371 -0.803) 1.064 10.867 ( -1.326 0.920 0.864) 1.831 10.884 ( 0.469 -0.034 0.488) 0.678 10.929 ( 0.048 -2.260 0.899) 2.433 10.977 ( 0.696 -4.628 -1.081) 4.804 11.384 ( -0.237 2.220 -0.569) 2.304 11.404 ( 0.561 0.247 -1.508) 1.627 11.674 ( -0.603 0.804 1.964) 2.206 11.694 ( -0.490 -0.864 2.266) 2.475 11.777 ( -0.113 1.186 -3.106) 3.326 11.812 ( -0.244 -1.852 -3.681) 4.128 12.786 ( 0.019 0.994 4.294) 4.408 12.807 ( -0.021 -1.019 5.089) 5.190 13.007 ( 0.397 2.617 -5.497) 6.101 13.061 ( 0.240 -2.434 -6.094) 6.567 14.329 ( -0.109 0.680 1.063) 1.267 14.342 ( -0.157 -0.440 0.780) 0.909 14.577 ( 0.199 1.173 -1.922) 2.261 14.607 ( -0.466 -1.503 -2.901) 3.300 14.924 ( -0.409 0.055 0.808) 0.908 14.932 ( -1.213 -0.780 0.565) 1.549 15.066 ( 0.526 1.161 0.311) 1.312 15.080 ( 1.283 -0.068 -0.470) 1.369 15.498 ( 0.489 0.111 -1.191) 1.292 15.508 ( -0.311 -0.764 -1.743) 1.928 15.778 ( -0.278 0.169 0.547) 0.637 15.783 ( -0.254 -0.225 -0.029) 0.340 16.031 ( 0.596 1.754 2.089) 2.792 16.053 ( 0.064 -0.262 0.726) 0.774 16.218 ( -0.536 -0.563 1.721) 1.889 16.223 ( 0.091 -0.958 1.071) 1.440 16.871 ( 0.461 0.627 1.379) 1.584 16.900 ( 0.422 -2.042 -0.028) 2.085 17.161 ( -0.291 2.880 1.850) 3.436 17.190 ( -0.987 0.179 0.067) 1.006 17.324 ( -1.422 0.140 0.066) 1.431 17.343 ( -0.855 -1.304 -0.479) 1.631 17.406 ( -0.002 0.555 1.459) 1.561 17.418 ( 1.150 -0.533 1.024) 1.629 18.415 ( -0.634 0.665 -0.153) 0.931 18.433 ( 0.230 -1.128 -1.275) 1.718 18.782 ( 2.958 1.453 1.545) 3.640 18.812 ( 0.945 -1.609 0.978) 2.107 18.843 ( -2.910 4.329 1.446) 5.413 18.920 ( -3.096 -2.167 -0.857) 3.875 19.044 ( 0.835 0.391 0.340) 0.983 19.072 ( 1.623 -1.660 -0.553) 2.386 27.716 ( 0.180 0.946 0.394) 1.041 27.742 ( 0.034 -0.865 -0.967) 1.298 27.828 ( -0.209 -0.020 0.877) 0.902 27.859 ( -0.158 -0.423 -0.644) 0.786 27.863 ( 0.682 -1.155 -0.484) 1.426 27.879 ( -0.730 -1.836 -1.187) 2.305 27.988 ( 0.158 0.718 0.836) 1.113 28.010 ( 0.334 -1.335 -0.141) 1.383 29.084 ( 0.345 5.501 2.835) 6.198 29.145 ( 0.305 0.577 -0.088) 0.658 29.346 ( -1.246 3.092 1.495) 3.654 29.379 ( -0.796 0.816 0.187) 1.155 29.560 ( -0.244 3.425 0.877) 3.543 29.594 ( 1.206 3.170 -0.506) 3.430 29.659 ( -0.665 -1.416 1.627) 2.257 29.688 ( 2.624 -1.800 0.821) 3.287 30.156 ( 2.937 0.810 6.268) 6.969 30.187 ( 4.339 -1.549 6.512) 7.977 30.301 ( -2.362 1.699 1.386) 3.223 30.371 ( -1.146 -3.893 -0.633) 4.107 30.637 ( -3.248 8.017 -0.122) 8.651 30.728 ( 2.576 2.462 -2.740) 4.495 30.788 ( 1.208 -2.905 -2.816) 4.222 30.810 ( -3.781 -7.348 -4.108) 9.228 31.339 ( 5.739 5.715 -1.319) 8.206 31.435 ( 0.259 -3.244 -5.856) 6.700 31.740 ( -4.848 0.437 2.244) 5.360 31.801 ( -2.451 -5.153 -1.313) 5.856 32.482 ( 1.999 5.155 6.139) 8.262 32.613 ( 2.448 -6.764 4.266) 8.363 32.785 ( -0.118 3.262 -7.927) 8.573 32.872 ( -3.161 -4.784 -6.815) 8.906 ======================= Grid point 81 (47/60) ======================= q-point: (-0.33 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -4.720 10.007 11.005) 15.605 1.607 ( -0.758 3.490 -5.063) 6.196 1.673 ( -0.909 -1.836 -1.149) 2.348 1.742 ( -6.345 7.428 2.703) 10.135 1.804 ( -2.515 -8.645 -7.243) 11.555 1.943 ( -3.257 -6.500 1.959) 7.530 2.009 ( 2.071 -1.769 -2.787) 3.897 2.093 ( -1.283 -6.203 2.480) 6.803 2.291 ( -7.552 4.034 4.734) 9.784 2.400 ( -6.775 -5.264 4.149) 9.530 2.510 ( 2.520 3.461 2.514) 4.965 2.530 ( 2.436 0.800 -1.930) 3.209 2.563 ( -0.995 2.332 1.740) 3.075 2.647 ( -0.083 0.056 -2.106) 2.108 2.680 ( 0.757 4.362 0.956) 4.529 2.706 ( 0.700 3.447 -3.195) 4.752 2.787 ( -0.083 3.045 -4.358) 5.317 2.900 ( -1.955 -1.943 0.589) 2.819 2.998 ( -1.128 -1.360 2.230) 2.845 3.072 ( 3.902 -4.807 0.470) 6.210 3.213 ( 7.773 3.213 -6.707) 10.758 3.278 ( 5.134 -1.569 -4.576) 7.054 3.319 ( 2.257 2.840 2.106) 4.195 3.405 ( 3.023 -2.960 0.779) 4.302 3.482 ( 2.637 5.712 1.231) 6.410 3.585 ( 7.235 -0.536 0.313) 7.262 3.605 ( -3.013 4.458 0.487) 5.403 3.692 ( -5.466 1.648 -1.491) 5.900 3.797 ( -2.589 -0.998 4.604) 5.376 3.861 ( -0.174 0.813 6.584) 6.636 3.960 ( -6.824 3.847 6.155) 9.962 4.052 ( 1.605 -2.150 5.383) 6.014 4.094 ( 3.668 2.076 0.829) 4.296 4.217 ( 3.321 1.767 1.268) 3.970 4.226 ( -0.221 -1.313 3.581) 3.821 4.339 ( 0.982 -2.880 -3.285) 4.478 4.412 ( -0.055 8.065 3.667) 8.860 4.450 ( 1.756 4.003 1.686) 4.685 4.546 ( 2.695 -3.005 -0.221) 4.042 4.631 ( -2.369 -3.964 5.615) 7.270 4.716 ( -3.084 7.669 0.229) 8.270 4.738 ( -0.875 -0.147 7.514) 7.566 4.828 ( 1.376 -0.008 2.832) 3.149 4.881 ( 2.062 -0.498 2.309) 3.135 5.000 ( 1.333 3.618 0.816) 3.941 5.117 ( -1.364 0.058 -1.139) 1.778 5.135 ( 1.856 -5.002 1.683) 5.594 5.198 ( 1.208 -5.263 1.460) 5.594 5.281 ( 1.365 -2.774 0.589) 3.147 5.355 ( 1.304 -4.909 3.230) 6.020 5.426 ( 0.333 0.662 -9.954) 9.982 5.516 ( -0.519 -5.871 -6.485) 8.763 5.609 ( 0.535 0.648 -9.873) 9.908 5.633 ( 1.717 -1.481 -11.824) 12.039 6.059 ( 1.000 2.245 3.544) 4.313 6.118 ( 0.660 -2.715 0.414) 2.825 6.614 ( -2.853 2.089 0.562) 3.580 6.635 ( -3.931 -0.053 -1.085) 4.079 6.726 ( -3.038 4.588 -2.925) 6.231 6.800 ( -2.662 -1.949 -1.713) 3.718 7.136 ( -1.549 2.774 3.178) 4.494 7.200 ( -2.550 -1.470 4.871) 5.691 7.282 ( -1.499 6.595 -0.843) 6.815 7.460 ( -4.228 -8.414 -3.932) 10.205 7.990 ( 1.481 2.956 -0.071) 3.307 8.024 ( 0.643 -0.018 -0.371) 0.743 8.039 ( -1.648 0.112 -3.003) 3.427 8.083 ( -0.467 -3.500 -1.524) 3.846 8.723 ( 1.141 3.996 -0.505) 4.186 8.758 ( 1.460 1.615 -0.659) 2.275 8.816 ( 2.049 -3.187 -0.174) 3.793 8.824 ( 1.703 -4.146 0.169) 4.485 9.490 ( -1.585 0.419 1.415) 2.166 9.506 ( -1.657 -1.133 1.412) 2.454 9.692 ( 0.457 2.935 -1.189) 3.199 9.756 ( 2.070 -3.079 -1.622) 4.049 10.783 ( 0.086 2.817 0.030) 2.818 10.818 ( 0.027 0.876 -1.292) 1.561 10.850 ( 0.004 0.202 0.992) 1.012 10.894 ( 0.286 -2.294 0.715) 2.419 10.938 ( 0.911 -0.661 0.503) 1.233 10.993 ( 0.773 -4.307 -0.558) 4.412 11.353 ( -2.459 2.554 -0.912) 3.661 11.379 ( -2.725 0.087 -1.347) 3.041 11.674 ( 0.375 0.920 2.020) 2.251 11.702 ( 1.198 -1.681 2.026) 2.892 11.775 ( 0.085 1.295 -2.882) 3.161 11.810 ( 0.238 -1.790 -3.294) 3.757 12.796 ( 0.596 0.972 4.230) 4.381 12.819 ( 0.680 -1.056 4.946) 5.103 13.012 ( 0.507 2.437 -5.503) 6.039 13.062 ( 0.292 -2.230 -6.019) 6.426 14.321 ( -0.624 0.666 1.008) 1.360 14.332 ( -0.837 -0.195 0.710) 1.114 14.592 ( 1.158 0.352 -1.599) 2.006 14.609 ( 0.681 -1.104 -2.704) 2.999 14.900 ( -1.516 -0.060 0.269) 1.541 14.906 ( -1.366 -0.580 0.692) 1.637 15.063 ( -0.820 1.715 0.008) 1.901 15.086 ( -0.632 -0.318 -0.518) 0.877 15.513 ( 1.285 0.010 -1.398) 1.899 15.526 ( 1.930 -1.085 -1.534) 2.693 15.769 ( -0.650 0.494 0.850) 1.178 15.779 ( -0.289 -0.303 0.396) 0.577 16.029 ( -0.765 1.114 1.475) 2.001 16.045 ( -0.820 -0.098 0.376) 0.908 16.197 ( -1.586 -0.017 1.656) 2.293 16.215 ( -1.013 -1.440 1.134) 2.094 16.871 ( -0.462 0.789 0.722) 1.165 16.896 ( -0.710 -1.384 -0.621) 1.675 17.142 ( -1.554 2.082 1.908) 3.224 17.163 ( -1.425 -0.102 0.473) 1.505 17.307 ( -0.179 0.507 1.148) 1.268 17.332 ( 0.149 -1.753 1.030) 2.039 17.433 ( 2.286 1.767 1.151) 3.110 17.467 ( 2.985 -1.289 1.381) 3.533 18.425 ( 1.697 0.835 0.064) 1.892 18.447 ( 1.185 -1.394 -0.376) 1.868 18.765 ( -3.769 4.683 0.103) 6.012 18.831 ( -2.906 -0.262 1.456) 3.261 18.848 ( 2.850 0.465 1.198) 3.127 18.877 ( 2.234 -2.598 -0.410) 3.451 19.055 ( 0.165 1.521 -0.540) 1.622 19.096 ( 0.766 -2.009 -0.373) 2.182 27.719 ( 0.005 0.899 0.386) 0.979 27.741 ( 0.006 -0.598 -1.126) 1.275 27.820 ( -0.465 0.051 0.498) 0.684 27.853 ( -0.550 -2.048 -0.826) 2.276 27.872 ( 0.277 -0.563 -0.276) 0.686 27.878 ( 0.750 -0.980 -0.556) 1.354 27.994 ( 0.330 0.850 0.683) 1.139 28.019 ( 0.521 -1.472 -0.329) 1.596 29.100 ( 0.854 5.715 2.682) 6.371 29.156 ( 0.720 1.280 -0.365) 1.513 29.359 ( 2.101 2.688 2.277) 4.102 29.401 ( 2.753 -0.317 1.024) 2.954 29.553 ( -0.143 3.167 0.439) 3.200 29.613 ( 0.107 -1.006 0.323) 1.062 29.665 ( 1.558 3.989 -0.393) 4.300 29.744 ( 2.802 -2.107 1.067) 3.664 30.216 ( 1.867 1.473 3.165) 3.959 30.258 ( -1.692 0.810 3.256) 3.758 30.279 ( 3.895 -0.152 1.170) 4.070 30.377 ( 2.383 -5.401 2.616) 6.457 30.580 ( -2.490 7.309 -1.206) 7.815 30.726 ( -3.035 -5.828 -3.214) 7.315 30.793 ( 3.115 2.056 -1.678) 4.092 30.874 ( 5.660 -4.365 -1.922) 7.401 31.372 ( -4.878 1.551 -5.840) 7.765 31.403 ( -0.232 -0.758 -3.482) 3.571 31.735 ( 5.469 2.298 4.580) 7.494 31.820 ( 4.344 -5.098 1.233) 6.810 32.475 ( -3.097 5.348 4.180) 7.461 32.603 ( -4.270 -6.473 2.832) 8.255 32.720 ( -5.514 0.899 -8.200) 9.923 32.759 ( -6.686 -2.574 -5.243) 8.878 ======================= Grid point 82 (48/60) ======================= q-point: (-0.17 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -4.320 15.128 12.021) 19.800 1.467 ( -7.518 12.496 7.086) 16.213 1.608 ( -6.234 6.595 -6.695) 11.277 1.720 ( -0.189 -11.801 0.923) 11.838 1.816 ( -2.271 -2.440 7.812) 8.494 1.855 ( 4.182 -9.104 -4.434) 10.957 2.010 ( 0.312 -0.331 -1.413) 1.484 2.102 ( 1.878 -7.962 -0.888) 8.228 2.205 ( -0.691 1.080 1.677) 2.111 2.279 ( -2.265 -5.457 1.718) 6.153 2.509 ( -1.731 5.851 2.200) 6.486 2.531 ( -0.816 1.331 1.400) 2.097 2.563 ( 0.463 0.497 1.930) 2.046 2.616 ( -1.226 1.265 -0.536) 1.841 2.686 ( 0.617 0.390 -2.543) 2.646 2.760 ( -5.691 0.474 -6.330) 8.525 2.860 ( 3.305 0.000 2.057) 3.892 2.883 ( 7.664 -0.364 -6.265) 9.905 3.001 ( -0.762 3.209 1.165) 3.498 3.116 ( -0.320 -6.283 -1.091) 6.385 3.257 ( -2.207 8.944 8.603) 12.605 3.344 ( 1.737 -1.068 1.599) 2.591 3.412 ( 6.745 4.321 -1.254) 8.108 3.452 ( -0.044 3.541 5.107) 6.214 3.537 ( 2.586 -1.208 -2.237) 3.627 3.555 ( -1.905 4.290 1.676) 4.984 3.608 ( -3.293 -1.499 5.117) 6.267 3.726 ( -2.120 -5.183 8.197) 9.927 3.779 ( 3.985 0.625 -3.435) 5.298 3.830 ( 3.170 -2.500 -7.506) 8.523 3.878 ( 1.774 6.888 7.534) 10.361 4.048 ( 0.742 -7.161 11.058) 13.195 4.178 ( -1.021 3.594 1.975) 4.226 4.244 ( -1.480 -1.602 -1.350) 2.565 4.300 ( 2.989 7.425 -2.096) 8.274 4.376 ( -0.958 4.611 4.829) 6.746 4.406 ( 4.437 4.411 -4.465) 7.687 4.537 ( 4.488 -0.355 -1.188) 4.656 4.568 ( 0.814 -6.158 1.146) 6.316 4.592 ( 0.484 -0.759 -6.513) 6.575 4.645 ( -2.770 7.475 0.646) 7.998 4.731 ( -0.041 -3.477 7.404) 8.179 4.854 ( -0.752 2.018 1.911) 2.879 4.885 ( -0.479 -0.951 3.322) 3.489 4.993 ( -3.461 2.972 -0.328) 4.574 5.087 ( -0.655 1.240 -2.482) 2.851 5.163 ( -0.233 -2.716 3.434) 4.385 5.201 ( 0.400 -6.517 2.534) 7.003 5.302 ( 0.504 0.241 2.374) 2.439 5.391 ( 0.343 -4.048 -2.178) 4.609 5.464 ( 3.754 -3.851 -4.873) 7.257 5.499 ( 0.704 -4.135 -6.534) 7.765 5.613 ( 0.521 1.275 -9.429) 9.529 5.647 ( 0.730 -1.954 -10.393) 10.600 6.092 ( 1.698 1.686 4.773) 5.340 6.141 ( 1.201 -2.596 2.278) 3.656 6.549 ( -1.993 2.010 -2.729) 3.932 6.565 ( -2.197 0.318 -2.241) 3.154 6.655 ( -3.848 2.876 -1.073) 4.923 6.707 ( -6.530 -1.913 0.139) 6.806 7.126 ( 1.029 3.625 2.609) 4.583 7.196 ( 1.882 -2.467 2.025) 3.705 7.242 ( -2.255 4.806 -0.565) 5.339 7.355 ( -5.615 -5.119 -1.626) 7.770 7.969 ( -3.017 1.669 -0.622) 3.504 7.986 ( -2.316 1.123 -1.754) 3.115 8.052 ( 1.313 0.843 -0.717) 1.717 8.085 ( 0.516 -2.571 -1.432) 2.988 8.753 ( 1.194 4.153 0.222) 4.327 8.785 ( 1.405 2.359 -1.338) 3.054 8.849 ( 0.380 -4.116 1.654) 4.452 8.867 ( 2.936 -4.250 -2.017) 5.545 9.478 ( 0.376 0.419 1.966) 2.045 9.495 ( 0.590 -1.215 2.107) 2.503 9.682 ( -1.302 3.492 -0.934) 3.842 9.770 ( -0.775 -4.900 -1.701) 5.245 10.786 ( 0.143 2.968 -0.331) 2.990 10.806 ( -0.785 2.357 -0.931) 2.653 10.871 ( 1.617 -1.567 0.234) 2.264 10.901 ( 0.411 -3.340 0.048) 3.366 10.959 ( 0.870 -0.325 0.992) 1.359 11.001 ( -0.074 -3.709 0.144) 3.712 11.302 ( -2.016 1.736 -1.210) 2.923 11.314 ( -3.068 0.589 -0.967) 3.270 11.689 ( 0.821 1.643 1.457) 2.344 11.732 ( 1.220 -2.454 1.220) 3.000 11.776 ( 0.344 1.398 -2.932) 3.266 11.814 ( 0.504 -1.928 -3.170) 3.745 12.811 ( 0.393 0.912 4.435) 4.545 12.837 ( 0.541 -1.297 4.709) 4.914 13.017 ( 0.467 2.112 -5.331) 5.753 13.062 ( 0.253 -2.064 -5.811) 6.172 14.309 ( -0.582 0.608 0.722) 1.109 14.316 ( -0.675 -0.023 0.526) 0.856 14.611 ( 0.696 0.033 -1.318) 1.490 14.627 ( 1.320 -1.258 -2.723) 3.277 14.880 ( -0.616 0.101 -0.064) 0.628 14.882 ( -0.595 -0.136 -0.339) 0.698 15.038 ( -1.452 1.675 0.276) 2.233 15.058 ( -1.921 -0.100 -0.115) 1.927 15.546 ( 1.764 0.258 -1.143) 2.118 15.566 ( 1.782 -1.438 -1.706) 2.856 15.756 ( -0.607 0.900 1.162) 1.590 15.771 ( -0.475 -0.366 0.663) 0.894 16.012 ( -0.935 0.890 1.132) 1.717 16.028 ( -0.759 -0.285 0.224) 0.841 16.165 ( -1.400 0.199 1.431) 2.012 16.189 ( -1.388 -1.731 0.730) 2.336 16.859 ( -0.639 0.723 -0.360) 1.030 16.875 ( -1.174 -0.571 -1.119) 1.720 17.112 ( -1.383 2.038 1.799) 3.050 17.139 ( -0.890 -0.613 0.072) 1.083 17.319 ( 1.150 0.990 2.136) 2.620 17.353 ( 1.495 -2.213 1.980) 3.325 17.488 ( 2.802 1.544 2.123) 3.839 17.520 ( 1.775 -1.273 2.329) 3.193 18.476 ( 2.886 0.064 0.924) 3.030 18.478 ( 1.769 -0.269 1.333) 2.232 18.692 ( -3.259 4.235 -0.480) 5.365 18.752 ( -3.641 -1.101 -1.659) 4.150 18.907 ( 2.649 1.572 0.842) 3.194 18.938 ( 2.518 -1.254 0.780) 2.919 19.050 ( -0.415 2.092 -0.683) 2.239 19.101 ( -0.306 -2.408 -0.757) 2.542 27.717 ( -0.178 0.997 0.369) 1.078 27.741 ( 0.010 -0.539 -1.158) 1.278 27.814 ( -0.133 -0.215 0.146) 0.292 27.841 ( -0.453 -2.023 -1.180) 2.385 27.880 ( 0.360 -0.085 0.273) 0.460 27.893 ( 0.757 -1.281 -0.536) 1.581 27.999 ( 0.118 0.972 0.674) 1.189 28.027 ( 0.204 -1.529 -0.398) 1.593 29.117 ( 0.483 5.805 2.726) 6.432 29.168 ( 0.399 1.676 -0.080) 1.724 29.416 ( 2.867 2.999 3.128) 5.197 29.476 ( 4.072 -1.880 2.525) 5.147 29.556 ( 0.294 3.498 0.593) 3.560 29.613 ( 0.073 -1.519 0.596) 1.633 29.702 ( 1.816 5.374 -1.581) 5.889 29.800 ( 2.560 -3.290 -0.032) 4.169 30.186 ( -4.474 4.207 0.136) 6.143 30.259 ( -0.048 -2.869 0.982) 3.033 30.328 ( 0.474 1.969 -2.657) 3.341 30.417 ( -1.753 -5.500 0.975) 5.854 30.560 ( 2.209 5.358 2.283) 6.229 30.696 ( 2.777 -6.602 2.491) 7.583 30.845 ( 1.847 5.134 -0.227) 5.461 30.994 ( 5.575 -6.643 0.429) 8.683 31.248 ( -6.452 4.278 -5.043) 9.240 31.369 ( -2.041 -6.530 -3.747) 7.800 31.946 ( 13.381 0.776 3.050) 13.746 31.964 ( 9.159 -0.853 1.493) 9.319 32.377 ( -6.087 3.045 -0.441) 6.821 32.448 ( -9.674 -3.765 -1.281) 10.460 32.577 ( -7.198 1.478 -5.753) 9.333 32.622 ( -6.723 -2.694 -1.175) 7.337 ======================= Grid point 95 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 9.616 0.000 -18.721) 21.046 1.059 ( -9.616 0.000 18.721) 21.046 1.515 ( 5.146 0.000 -22.400) 22.984 1.515 ( -5.146 0.000 22.400) 22.984 2.070 ( 0.853 0.000 -10.457) 10.491 2.070 ( -0.853 0.000 10.457) 10.491 2.265 ( -1.135 0.000 0.122) 1.141 2.265 ( 1.135 0.000 -0.122) 1.141 2.294 ( -9.273 0.000 1.248) 9.356 2.294 ( 9.273 0.000 -1.248) 9.356 2.369 ( 0.578 0.000 -4.740) 4.776 2.369 ( -0.578 0.000 4.740) 4.776 2.618 ( -3.597 0.000 -5.043) 6.195 2.618 ( 3.597 0.000 5.043) 6.195 2.754 ( -1.889 0.000 -16.142) 16.252 2.754 ( 1.889 0.000 16.142) 16.252 2.929 ( -0.116 0.000 -3.922) 3.924 2.929 ( 0.116 0.000 3.922) 3.924 3.086 ( 2.817 0.000 -2.861) 4.015 3.086 ( -2.817 0.000 2.861) 4.015 3.285 ( 3.918 0.000 -5.356) 6.636 3.285 ( -3.918 0.000 5.356) 6.636 3.305 ( 3.983 0.000 -7.782) 8.742 3.305 ( -3.983 0.000 7.782) 8.742 3.539 ( 3.005 0.000 -1.915) 3.563 3.539 ( -3.005 0.000 1.915) 3.563 3.674 ( -8.550 0.000 0.729) 8.581 3.674 ( 8.550 0.000 -0.729) 8.581 3.792 ( -4.511 0.000 -4.766) 6.563 3.792 ( 4.511 0.000 4.766) 6.563 3.966 ( -4.993 0.000 -10.607) 11.724 3.966 ( 4.993 0.000 10.607) 11.724 4.050 ( 1.357 0.000 -7.857) 7.974 4.050 ( -1.357 0.000 7.857) 7.974 4.244 ( -7.549 0.000 0.613) 7.574 4.244 ( 7.549 0.000 -0.613) 7.574 4.333 ( -3.108 0.000 -0.095) 3.109 4.333 ( 3.108 0.000 0.095) 3.109 4.575 ( -3.300 0.000 -4.461) 5.549 4.575 ( 3.300 0.000 4.461) 5.549 4.751 ( -6.008 0.000 -2.098) 6.364 4.751 ( 6.008 0.000 2.098) 6.364 4.961 ( 5.527 0.000 -8.205) 9.893 4.961 ( -5.527 0.000 8.205) 9.893 5.066 ( -0.310 0.000 -1.416) 1.450 5.066 ( 0.310 0.000 1.416) 1.450 5.214 ( -2.758 0.000 -2.351) 3.624 5.214 ( 2.758 0.000 2.351) 3.624 5.357 ( 4.219 0.000 -4.140) 5.911 5.357 ( -4.219 0.000 4.140) 5.911 5.544 ( 2.565 0.000 -7.668) 8.086 5.544 ( -2.565 0.000 7.668) 8.086 5.879 ( 2.377 0.000 -4.675) 5.244 5.879 ( -2.377 0.000 4.675) 5.244 6.226 ( 0.258 0.000 -0.932) 0.967 6.226 ( -0.258 0.000 0.932) 0.967 6.393 ( -3.246 0.000 -0.574) 3.297 6.393 ( 3.246 0.000 0.574) 3.297 6.523 ( 3.073 0.000 -2.571) 4.007 6.523 ( -3.073 0.000 2.571) 4.007 7.108 ( -0.427 0.000 -2.201) 2.242 7.108 ( 0.427 0.000 2.201) 2.242 7.309 ( -2.751 0.000 -0.285) 2.766 7.309 ( 2.751 0.000 0.285) 2.766 7.891 ( 0.921 0.000 -1.872) 2.086 7.891 ( -0.921 0.000 1.872) 2.086 8.088 ( -1.316 0.000 -3.207) 3.466 8.088 ( 1.316 0.000 3.207) 3.466 8.678 ( -0.213 0.000 -2.547) 2.555 8.678 ( 0.213 0.000 2.547) 2.555 9.013 ( 0.446 0.000 -0.260) 0.517 9.013 ( -0.446 0.000 0.260) 0.517 9.524 ( -0.681 0.000 -1.741) 1.870 9.524 ( 0.681 0.000 1.741) 1.870 9.766 ( -4.273 0.000 -8.686) 9.680 9.766 ( 4.273 0.000 8.686) 9.680 10.712 ( 0.387 0.000 -0.504) 0.635 10.712 ( -0.387 0.000 0.504) 0.635 11.031 ( -0.237 0.000 -1.161) 1.185 11.031 ( 0.237 0.000 1.161) 1.185 11.062 ( -0.590 0.000 -1.140) 1.283 11.062 ( 0.590 0.000 1.140) 1.283 11.179 ( -0.192 0.000 -2.053) 2.062 11.179 ( 0.192 0.000 2.053) 2.062 11.711 ( 0.181 0.000 -2.843) 2.849 11.711 ( -0.181 0.000 2.843) 2.849 11.835 ( 1.504 0.000 -1.424) 2.071 11.835 ( -1.504 0.000 1.424) 2.071 12.907 ( 0.907 0.000 -5.709) 5.780 12.907 ( -0.907 0.000 5.709) 5.780 12.984 ( 0.087 0.000 -7.113) 7.113 12.984 ( -0.087 0.000 7.113) 7.113 14.293 ( -0.667 0.000 -0.037) 0.668 14.293 ( 0.667 0.000 0.037) 0.668 14.657 ( 2.343 0.000 -2.235) 3.238 14.657 ( -2.343 0.000 2.235) 3.238 14.874 ( 1.655 0.000 -1.232) 2.063 14.874 ( -1.655 0.000 1.232) 2.063 14.967 ( -1.852 0.000 0.407) 1.896 14.967 ( 1.852 0.000 -0.407) 1.896 15.590 ( -1.971 0.000 0.140) 1.976 15.590 ( 1.971 0.000 -0.140) 1.976 15.745 ( -0.774 0.000 -0.476) 0.909 15.745 ( 0.774 0.000 0.476) 0.909 15.991 ( 1.303 0.000 -1.329) 1.861 15.991 ( -1.303 0.000 1.329) 1.861 16.227 ( -0.575 0.000 -0.551) 0.797 16.227 ( 0.575 0.000 0.551) 0.797 16.867 ( 1.114 0.000 -1.229) 1.659 16.867 ( -1.114 0.000 1.229) 1.659 17.060 ( 0.013 0.000 -3.681) 3.681 17.060 ( -0.013 0.000 3.681) 3.681 17.374 ( -0.580 0.000 -2.650) 2.713 17.374 ( 0.580 0.000 2.650) 2.713 17.594 ( 1.873 0.000 -2.317) 2.980 17.594 ( -1.873 0.000 2.318) 2.980 18.512 ( -2.273 0.000 0.545) 2.338 18.512 ( 2.273 0.000 -0.545) 2.338 18.569 ( -1.833 0.000 -3.083) 3.587 18.569 ( 1.833 0.000 3.083) 3.587 18.902 ( -2.301 0.000 -0.509) 2.356 18.902 ( 2.301 0.000 0.509) 2.356 19.096 ( -2.885 0.000 -1.324) 3.174 19.096 ( 2.885 0.000 1.324) 3.174 27.725 ( 0.497 0.000 -1.241) 1.336 27.725 ( -0.497 0.000 1.241) 1.336 27.858 ( -0.084 0.000 -1.664) 1.666 27.858 ( 0.084 0.000 1.664) 1.666 27.955 ( -0.501 0.000 -0.907) 1.036 27.955 ( 0.501 0.000 0.907) 1.036 28.037 ( -0.472 0.000 -1.895) 1.953 28.037 ( 0.472 0.000 1.895) 1.953 28.914 ( 0.222 0.000 -1.804) 1.818 28.914 ( -0.222 0.000 1.804) 1.818 29.389 ( -1.798 0.000 0.005) 1.798 29.389 ( 1.798 0.000 -0.005) 1.798 29.590 ( -0.626 0.000 -0.204) 0.659 29.590 ( 0.626 0.000 0.204) 0.659 29.713 ( -7.676 0.000 -4.969) 9.144 29.713 ( 7.676 0.000 4.969) 9.144 30.175 ( -2.746 0.000 -10.595) 10.945 30.175 ( 2.746 0.000 10.595) 10.945 30.474 ( -5.624 0.000 0.305) 5.632 30.474 ( 5.624 0.000 -0.305) 5.632 30.649 ( -4.768 0.000 -9.721) 10.827 30.649 ( 4.768 0.000 9.721) 10.827 30.837 ( 2.864 0.000 -11.631) 11.978 30.837 ( -2.864 0.000 11.631) 11.978 31.531 ( -0.737 0.000 -6.887) 6.926 31.531 ( 0.737 0.000 6.887) 6.926 32.156 ( -6.445 0.000 -4.363) 7.783 32.156 ( 6.445 0.000 4.363) 7.783 32.249 ( 1.361 0.000 -2.082) 2.488 32.249 ( -1.361 0.000 2.082) 2.488 32.556 ( -10.341 0.000 0.630) 10.361 32.556 ( 10.341 0.000 -0.630) 10.361 ======================= Grid point 97 (50/60) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 6.344 0.000 14.489) 15.817 1.253 ( 7.110 0.000 -9.939) 12.220 1.573 ( 10.649 0.000 15.897) 19.135 1.647 ( 8.558 0.000 -19.556) 21.347 2.069 ( -3.159 0.000 5.646) 6.469 2.100 ( 1.327 0.000 -4.837) 5.016 2.144 ( -1.816 0.000 3.460) 3.907 2.226 ( -1.550 0.000 -2.205) 2.695 2.276 ( -0.487 0.000 -4.115) 4.144 2.350 ( 1.074 0.000 -1.895) 2.178 2.374 ( 0.727 0.000 -0.688) 1.001 2.487 ( -3.992 0.000 -5.295) 6.632 2.522 ( 6.172 0.000 -6.269) 8.797 2.580 ( -6.092 0.000 5.278) 8.060 2.726 ( -1.108 0.000 -6.917) 7.005 2.823 ( -9.368 0.000 3.542) 10.015 2.843 ( -0.338 0.000 1.453) 1.492 2.908 ( 5.513 0.000 10.037) 11.451 3.042 ( -3.468 0.000 7.209) 7.999 3.092 ( -6.309 0.000 -0.133) 6.311 3.142 ( -7.484 0.000 8.945) 11.662 3.187 ( -6.948 0.000 1.986) 7.227 3.278 ( 6.025 0.000 -15.758) 16.871 3.398 ( -1.275 0.000 -4.462) 4.641 3.499 ( -1.185 0.000 -0.661) 1.357 3.563 ( 2.549 0.000 3.195) 4.087 3.650 ( -6.930 0.000 -0.704) 6.966 3.778 ( 10.855 0.000 1.626) 10.976 3.815 ( -6.475 0.000 -12.119) 13.740 3.839 ( 2.554 0.000 2.338) 3.463 3.868 ( 1.917 0.000 5.670) 5.985 3.971 ( -1.532 0.000 9.980) 10.096 4.092 ( 3.058 0.000 6.733) 7.395 4.096 ( 4.168 0.000 -8.685) 9.633 4.112 ( -2.620 0.000 -2.185) 3.412 4.235 ( -6.450 0.000 -2.098) 6.783 4.382 ( 4.791 0.000 -2.749) 5.524 4.387 ( 1.988 0.000 2.652) 3.314 4.519 ( -1.574 0.000 -6.158) 6.356 4.647 ( 3.047 0.000 3.510) 4.648 4.668 ( -0.712 0.000 -3.426) 3.499 4.815 ( -1.087 0.000 -1.008) 1.482 4.860 ( -4.444 0.000 7.801) 8.978 5.016 ( -1.118 0.000 -1.887) 2.193 5.058 ( 0.377 0.000 -5.026) 5.040 5.068 ( 1.193 0.000 1.901) 2.244 5.139 ( -4.128 0.000 -2.776) 4.975 5.214 ( -2.161 0.000 6.640) 6.983 5.388 ( 5.778 0.000 1.571) 5.987 5.457 ( 4.498 0.000 -3.347) 5.607 5.494 ( -2.877 0.000 8.555) 9.026 5.582 ( 1.717 0.000 -5.593) 5.851 5.823 ( -3.016 0.000 0.820) 3.125 5.867 ( -4.659 0.000 -3.900) 6.076 6.089 ( -6.240 0.000 6.197) 8.795 6.148 ( -3.797 0.000 -3.924) 5.461 6.470 ( 0.889 0.000 4.069) 4.165 6.475 ( 6.660 0.000 -5.373) 8.557 6.552 ( 4.623 0.000 3.716) 5.931 6.623 ( 5.986 0.000 -2.081) 6.337 7.072 ( -3.619 0.000 2.722) 4.528 7.101 ( 0.510 0.000 -1.577) 1.657 7.367 ( 7.552 0.000 -7.291) 10.497 7.418 ( 6.205 0.000 1.862) 6.478 7.913 ( 2.457 0.000 3.401) 4.196 7.944 ( 4.077 0.000 -3.585) 5.429 8.055 ( -1.640 0.000 -3.530) 3.893 8.110 ( 0.513 0.000 3.119) 3.161 8.670 ( -0.390 0.000 -2.441) 2.472 8.679 ( -0.369 0.000 2.766) 2.791 8.980 ( -2.582 0.000 0.982) 2.763 8.993 ( -2.313 0.000 0.184) 2.320 9.520 ( 0.280 0.000 -2.242) 2.260 9.546 ( 1.060 0.000 1.438) 1.786 9.659 ( -4.389 0.000 -5.529) 7.059 9.811 ( -0.573 0.000 7.862) 7.883 10.707 ( -0.124 0.000 0.973) 0.981 10.719 ( 0.319 0.000 -0.270) 0.418 10.997 ( -2.151 0.000 -0.594) 2.232 11.006 ( -1.684 0.000 -0.881) 1.900 11.059 ( -0.357 0.000 -0.057) 0.362 11.081 ( 0.470 0.000 0.693) 0.837 11.204 ( 2.550 0.000 -1.994) 3.237 11.212 ( 2.636 0.000 2.281) 3.486 11.710 ( -0.089 0.000 2.888) 2.889 11.713 ( 0.242 0.000 -2.800) 2.810 11.805 ( -1.398 0.000 2.562) 2.918 11.845 ( -0.627 0.000 -1.612) 1.730 12.875 ( -2.196 0.000 5.208) 5.652 12.891 ( -1.694 0.000 -4.933) 5.216 12.984 ( 0.377 0.000 -7.723) 7.732 12.985 ( -0.463 0.000 7.429) 7.443 14.295 ( 0.896 0.000 -0.357) 0.965 14.314 ( 1.212 0.000 -0.490) 1.308 14.613 ( -1.966 0.000 2.229) 2.972 14.675 ( -1.166 0.000 -2.409) 2.676 14.859 ( 0.978 0.000 1.085) 1.461 14.910 ( 2.194 0.000 -1.655) 2.748 14.965 ( 1.410 0.000 0.648) 1.552 15.018 ( 2.468 0.000 0.017) 2.468 15.538 ( -2.865 0.000 1.080) 3.061 15.600 ( -1.088 0.000 0.166) 1.100 15.747 ( 0.904 0.000 -0.400) 0.988 15.772 ( 1.626 0.000 -0.089) 1.629 15.973 ( -0.397 0.000 2.177) 2.213 16.016 ( 1.082 0.000 -0.704) 1.290 16.233 ( 1.071 0.000 -0.401) 1.144 16.253 ( 1.638 0.000 0.155) 1.645 16.864 ( 0.764 0.000 0.848) 1.141 16.901 ( 2.138 0.000 -2.284) 3.129 17.071 ( 1.258 0.000 -2.963) 3.219 17.075 ( 1.044 0.000 3.994) 4.128 17.355 ( -1.011 0.000 -2.754) 2.934 17.380 ( -0.148 0.000 1.974) 1.979 17.513 ( -5.286 0.000 0.481) 5.307 17.574 ( -3.207 0.000 -0.941) 3.342 18.452 ( -3.095 0.000 0.374) 3.117 18.525 ( -0.926 0.000 0.489) 1.047 18.580 ( 2.669 0.000 -2.579) 3.712 18.647 ( 4.738 0.000 0.445) 4.759 18.881 ( 0.206 0.000 -1.252) 1.269 18.962 ( 2.754 0.000 -0.578) 2.814 19.028 ( -3.002 0.000 0.359) 3.024 19.132 ( 0.482 0.000 1.738) 1.804 27.719 ( -0.151 0.000 1.079) 1.090 27.734 ( 0.434 0.000 -1.208) 1.284 27.854 ( -0.181 0.000 -1.648) 1.658 27.859 ( -0.109 0.000 1.527) 1.531 27.947 ( -0.249 0.000 -0.703) 0.746 27.964 ( 0.165 0.000 0.977) 0.991 28.026 ( -0.327 0.000 -1.828) 1.857 28.044 ( 0.024 0.000 1.847) 1.847 28.909 ( -0.333 0.000 2.049) 2.076 28.914 ( -0.074 0.000 -1.826) 1.827 29.342 ( -2.611 0.000 -0.058) 2.612 29.399 ( -1.231 0.000 -0.938) 1.548 29.540 ( -5.645 0.000 1.040) 5.740 29.565 ( -1.730 0.000 -0.152) 1.737 29.623 ( 0.467 0.000 0.611) 0.769 29.831 ( 2.193 0.000 5.377) 5.807 30.125 ( -0.364 0.000 -6.610) 6.620 30.228 ( 1.335 0.000 8.428) 8.533 30.329 ( -6.346 0.000 1.683) 6.565 30.529 ( -4.107 0.000 -6.740) 7.893 30.535 ( 0.523 0.000 -2.653) 2.705 30.702 ( 0.417 0.000 11.342) 11.350 30.920 ( 7.827 0.000 11.740) 14.110 30.931 ( 2.807 0.000 -5.478) 6.155 31.379 ( -12.557 0.000 -6.707) 14.236 31.470 ( -4.641 0.000 0.251) 4.648 32.019 ( -5.270 0.000 -2.177) 5.702 32.027 ( -10.997 0.000 -2.695) 11.322 32.322 ( 5.816 0.000 -2.586) 6.365 32.391 ( 8.283 0.000 6.988) 10.837 32.556 ( 8.312 0.000 0.562) 8.331 32.806 ( 11.122 0.000 -6.975) 13.128 ======================= Grid point 98 (51/60) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 13.603 0.000 3.157) 13.964 1.374 ( 6.699 0.000 -3.585) 7.598 1.814 ( 9.265 0.000 -13.374) 16.269 1.819 ( 9.952 0.000 9.174) 13.536 1.941 ( -7.101 0.000 1.765) 7.317 2.072 ( -2.273 0.000 -0.181) 2.280 2.181 ( 1.738 0.000 6.242) 6.479 2.202 ( -5.886 0.000 -0.618) 5.919 2.274 ( 0.018 0.000 -4.355) 4.355 2.323 ( -8.911 0.000 -1.234) 8.996 2.371 ( -0.214 0.000 2.702) 2.711 2.397 ( -7.672 0.000 -5.407) 9.386 2.438 ( 4.130 0.000 -3.954) 5.717 2.634 ( 4.175 0.000 -3.985) 5.772 2.675 ( 1.008 0.000 -2.985) 3.151 2.747 ( 1.171 0.000 -1.639) 2.014 2.813 ( -1.380 0.000 -3.785) 4.029 2.938 ( -5.521 0.000 1.816) 5.812 2.958 ( -5.751 0.000 0.382) 5.764 2.983 ( -6.972 0.000 11.445) 13.401 3.119 ( 1.943 0.000 5.156) 5.510 3.134 ( 7.466 0.000 15.395) 17.109 3.205 ( -12.024 0.000 3.631) 12.560 3.415 ( 7.083 0.000 -13.773) 15.488 3.493 ( -4.788 0.000 -5.489) 7.284 3.550 ( -2.866 0.000 3.729) 4.703 3.629 ( 5.543 0.000 -0.724) 5.590 3.769 ( 5.010 0.000 -14.202) 15.060 3.826 ( -2.959 0.000 6.960) 7.563 3.834 ( -4.306 0.000 4.008) 5.883 3.946 ( -0.482 0.000 -3.493) 3.526 3.968 ( -0.306 0.000 4.316) 4.327 4.078 ( 2.300 0.000 10.058) 10.318 4.098 ( -1.228 0.000 -6.623) 6.736 4.190 ( 4.050 0.000 -3.072) 5.083 4.228 ( 4.608 0.000 -1.506) 4.848 4.393 ( -1.945 0.000 2.991) 3.568 4.401 ( -1.802 0.000 -4.022) 4.407 4.535 ( 3.476 0.000 -7.990) 8.713 4.673 ( -1.599 0.000 0.568) 1.697 4.695 ( 2.457 0.000 -2.864) 3.774 4.760 ( -1.806 0.000 4.740) 5.072 4.805 ( -1.348 0.000 1.367) 1.919 4.932 ( -6.429 0.000 4.909) 8.089 5.056 ( -0.891 0.000 1.301) 1.576 5.098 ( 0.286 0.000 2.464) 2.480 5.105 ( 2.825 0.000 -15.263) 15.522 5.190 ( -0.625 0.000 7.029) 7.057 5.446 ( -1.403 0.000 11.109) 11.197 5.500 ( 3.733 0.000 2.619) 4.560 5.501 ( -0.143 0.000 -1.530) 1.537 5.600 ( 0.278 0.000 -3.618) 3.628 5.746 ( -4.457 0.000 0.454) 4.481 5.760 ( -3.276 0.000 -0.953) 3.412 6.048 ( 0.080 0.000 2.191) 2.192 6.093 ( -1.632 0.000 -4.387) 4.681 6.500 ( 2.127 0.000 2.968) 3.651 6.564 ( 1.779 0.000 -2.436) 3.016 6.632 ( 3.411 0.000 3.845) 5.140 6.720 ( 2.813 0.000 -3.902) 4.810 7.022 ( -0.150 0.000 0.436) 0.461 7.109 ( -0.346 0.000 0.694) 0.775 7.515 ( 6.473 0.000 -12.031) 13.662 7.526 ( 3.987 0.000 6.640) 7.745 7.967 ( 1.817 0.000 6.116) 6.381 8.003 ( 0.060 0.000 -6.040) 6.040 8.040 ( 2.325 0.000 -4.211) 4.810 8.112 ( -0.594 0.000 3.534) 3.584 8.660 ( -0.308 0.000 -2.406) 2.425 8.669 ( -0.837 0.000 2.768) 2.892 8.927 ( -2.371 0.000 1.335) 2.721 8.936 ( -2.736 0.000 -0.258) 2.748 9.525 ( 0.592 0.000 -2.274) 2.350 9.559 ( -0.051 0.000 1.478) 1.479 9.629 ( 1.615 0.000 -2.971) 3.382 9.769 ( -3.713 0.000 5.098) 6.307 10.709 ( 0.202 0.000 1.141) 1.159 10.722 ( -0.086 0.000 -0.645) 0.651 10.962 ( -1.068 0.000 0.897) 1.395 10.975 ( -1.186 0.000 -1.836) 2.186 11.052 ( -0.034 0.000 0.003) 0.035 11.077 ( -0.683 0.000 0.174) 0.705 11.260 ( 2.744 0.000 -2.408) 3.651 11.270 ( 2.345 0.000 2.920) 3.745 11.712 ( -0.005 0.000 2.843) 2.843 11.715 ( 0.136 0.000 -2.603) 2.607 11.787 ( -0.620 0.000 3.209) 3.268 11.815 ( -1.761 0.000 -3.224) 3.674 12.843 ( -1.185 0.000 4.945) 5.086 12.853 ( -1.326 0.000 -4.593) 4.781 12.981 ( -0.523 0.000 7.813) 7.830 12.983 ( 0.157 0.000 -7.995) 7.997 14.320 ( 1.280 0.000 -0.294) 1.313 14.334 ( 0.664 0.000 -0.524) 0.846 14.584 ( -1.025 0.000 2.431) 2.638 14.624 ( -2.775 0.000 -2.566) 3.779 14.905 ( 2.701 0.000 1.267) 2.984 14.948 ( 1.312 0.000 -1.822) 2.245 15.006 ( 2.285 0.000 0.144) 2.289 15.050 ( 0.674 0.000 0.634) 0.925 15.496 ( -1.032 0.000 1.247) 1.619 15.557 ( -2.788 0.000 -0.223) 2.796 15.770 ( 1.250 0.000 -0.286) 1.282 15.796 ( 0.484 0.000 -0.389) 0.621 15.982 ( 1.059 0.000 2.398) 2.621 16.026 ( -0.079 0.000 -1.012) 1.015 16.258 ( 1.270 0.000 -0.066) 1.272 16.279 ( 0.722 0.000 -0.183) 0.745 16.894 ( 1.857 0.000 1.532) 2.407 16.934 ( 0.975 0.000 -2.765) 2.931 17.098 ( 1.404 0.000 -2.490) 2.859 17.101 ( 1.013 0.000 3.548) 3.689 17.339 ( -0.067 0.000 -2.123) 2.124 17.377 ( -0.284 0.000 1.133) 1.168 17.422 ( -3.097 0.000 -0.951) 3.240 17.492 ( -4.357 0.000 0.849) 4.439 18.410 ( -0.664 0.000 -1.084) 1.271 18.481 ( -3.050 0.000 1.516) 3.406 18.653 ( 4.085 0.000 -0.173) 4.088 18.724 ( 2.345 0.000 -0.580) 2.416 18.894 ( 0.783 0.000 -2.292) 2.422 18.937 ( -2.862 0.000 -0.096) 2.863 19.049 ( 2.824 0.000 0.240) 2.834 19.123 ( -1.176 0.000 1.469) 1.882 27.722 ( 0.319 0.000 0.933) 0.986 27.738 ( -0.048 0.000 -1.010) 1.011 27.851 ( 0.033 0.000 -1.492) 1.492 27.857 ( -0.226 0.000 1.360) 1.379 27.944 ( 0.068 0.000 -0.494) 0.499 27.960 ( -0.554 0.000 0.581) 0.803 28.025 ( 0.369 0.000 -1.473) 1.518 28.041 ( -0.355 0.000 1.653) 1.691 28.907 ( -0.032 0.000 2.321) 2.321 28.911 ( -0.008 0.000 -2.051) 2.051 29.296 ( -1.675 0.000 0.258) 1.695 29.338 ( -3.667 0.000 -1.204) 3.859 29.477 ( -0.963 0.000 2.707) 2.873 29.524 ( -2.183 0.000 -0.678) 2.286 29.659 ( 2.690 0.000 1.337) 3.004 29.804 ( -3.613 0.000 -0.491) 3.646 30.159 ( 2.626 0.000 1.330) 2.944 30.208 ( -1.937 0.000 1.641) 2.539 30.306 ( 2.136 0.000 4.836) 5.287 30.432 ( -3.772 0.000 -5.779) 6.901 30.580 ( 3.099 0.000 -3.909) 4.988 30.695 ( -2.061 0.000 10.829) 11.024 30.898 ( -3.374 0.000 -0.916) 3.496 31.080 ( -2.057 0.000 -0.763) 2.194 31.120 ( -2.504 0.000 6.659) 7.114 31.381 ( -4.553 0.000 -7.540) 8.808 31.889 ( -2.244 0.000 -5.612) 6.044 31.936 ( -3.192 0.000 1.569) 3.557 32.445 ( 5.920 0.000 -5.829) 8.308 32.509 ( 2.959 0.000 8.771) 9.256 32.757 ( 9.648 0.000 3.681) 10.327 32.938 ( 2.626 0.000 -7.542) 7.987 ======================= Grid point 99 (52/60) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 1.534 0.000 -1.515) 2.155 1.462 ( -1.534 0.000 1.515) 2.155 1.870 ( -3.931 0.000 -2.632) 4.731 1.870 ( 3.931 0.000 2.632) 4.731 2.020 ( 8.278 0.000 -4.113) 9.243 2.020 ( -8.278 0.000 4.113) 9.243 2.129 ( -5.443 0.000 -6.284) 8.313 2.129 ( 5.443 0.000 6.284) 8.313 2.204 ( -2.741 0.000 -3.775) 4.665 2.204 ( 2.741 0.000 3.775) 4.665 2.335 ( -3.949 0.000 -0.464) 3.977 2.335 ( 3.949 0.000 0.464) 3.977 2.643 ( 11.099 0.000 -5.808) 12.527 2.643 ( -11.099 0.000 5.808) 12.527 2.731 ( 6.104 0.000 -2.998) 6.800 2.731 ( -6.104 0.000 2.998) 6.801 2.819 ( -7.069 0.000 -2.983) 7.672 2.819 ( 7.069 0.000 2.983) 7.672 2.900 ( 1.728 0.000 -7.676) 7.868 2.900 ( -1.728 0.000 7.676) 7.868 3.092 ( 0.614 0.000 -0.808) 1.015 3.092 ( -0.614 0.000 0.808) 1.015 3.329 ( -8.091 0.000 -12.859) 15.193 3.329 ( 8.091 0.000 12.859) 15.193 3.547 ( 2.608 0.000 -4.677) 5.355 3.547 ( -2.608 0.000 4.677) 5.355 3.751 ( 3.083 0.000 -1.099) 3.274 3.751 ( -3.084 0.000 1.099) 3.274 3.758 ( -0.394 0.000 -6.988) 6.999 3.758 ( 0.394 0.000 6.988) 6.999 3.950 ( 4.253 0.000 -11.822) 12.563 3.950 ( -4.253 0.000 11.822) 12.563 4.130 ( 0.294 0.000 -8.712) 8.717 4.130 ( -0.294 0.000 8.712) 8.717 4.241 ( 1.578 0.000 -2.015) 2.560 4.241 ( -1.578 0.000 2.015) 2.560 4.364 ( -0.435 0.000 -1.081) 1.165 4.364 ( 0.435 0.000 1.081) 1.165 4.613 ( 4.072 0.000 -5.382) 6.749 4.613 ( -4.072 0.000 5.382) 6.749 4.737 ( 1.886 0.000 -3.774) 4.219 4.737 ( -1.886 0.000 3.774) 4.219 4.821 ( 3.631 0.000 -5.674) 6.736 4.821 ( -3.631 0.000 5.674) 6.736 5.072 ( 2.191 0.000 -3.868) 4.446 5.072 ( -2.191 0.000 3.868) 4.446 5.167 ( 3.255 0.000 -10.905) 11.381 5.167 ( -3.255 0.000 10.905) 11.381 5.462 ( -2.448 0.000 -4.603) 5.213 5.462 ( 2.448 0.000 4.603) 5.213 5.572 ( -2.889 0.000 -4.088) 5.006 5.572 ( 2.889 0.000 4.088) 5.006 5.713 ( 0.711 0.000 -0.361) 0.797 5.713 ( -0.711 0.000 0.361) 0.797 6.064 ( -1.072 0.000 -2.740) 2.942 6.064 ( 1.072 0.000 2.740) 2.942 6.551 ( -2.258 0.000 -1.148) 2.533 6.551 ( 2.258 0.000 1.148) 2.533 6.703 ( -3.095 0.000 -3.375) 4.579 6.703 ( 3.095 0.000 3.375) 4.579 7.071 ( 3.429 0.000 -2.022) 3.981 7.071 ( -3.429 0.000 2.022) 3.981 7.575 ( 0.346 0.000 -10.798) 10.803 7.575 ( -0.346 0.000 10.798) 10.803 7.988 ( -0.288 0.000 -6.546) 6.552 7.988 ( 0.288 0.000 6.546) 6.552 8.089 ( 2.072 0.000 -4.728) 5.162 8.089 ( -2.072 0.000 4.728) 5.162 8.657 ( 0.328 0.000 -2.471) 2.493 8.657 ( -0.328 0.000 2.471) 2.493 8.904 ( -0.202 0.000 -1.022) 1.042 8.904 ( 0.202 0.000 1.022) 1.042 9.545 ( 1.271 0.000 -1.749) 2.162 9.545 ( -1.271 0.000 1.749) 2.162 9.689 ( 4.104 0.000 -3.326) 5.283 9.689 ( -4.104 0.000 3.326) 5.283 10.716 ( -0.357 0.000 -1.040) 1.099 10.716 ( 0.357 0.000 1.040) 1.099 10.957 ( -0.357 0.000 -1.969) 2.001 10.957 ( 0.357 0.000 1.969) 2.001 11.061 ( -0.779 0.000 -0.074) 0.782 11.061 ( 0.779 0.000 0.074) 0.782 11.293 ( 0.469 0.000 -3.062) 3.098 11.293 ( -0.469 0.000 3.062) 3.098 11.714 ( 0.016 0.000 -2.565) 2.565 11.714 ( -0.016 0.000 2.565) 2.565 11.787 ( -0.499 0.000 -3.667) 3.701 11.787 ( 0.499 0.000 3.667) 3.701 12.836 ( -0.035 0.000 -4.783) 4.783 12.836 ( 0.035 0.000 4.783) 4.783 12.979 ( 0.242 0.000 -7.979) 7.983 12.979 ( -0.242 0.000 7.979) 7.983 14.337 ( -0.349 0.000 -0.117) 0.368 14.337 ( 0.349 0.000 0.117) 0.368 14.583 ( -0.850 0.000 -2.617) 2.752 14.583 ( 0.850 0.000 2.617) 2.752 14.948 ( -1.197 0.000 -1.513) 1.929 14.948 ( 1.197 0.000 1.513) 1.929 15.045 ( 1.279 0.000 -0.567) 1.399 15.045 ( -1.279 0.000 0.567) 1.399 15.506 ( -1.861 0.000 -0.745) 2.005 15.506 ( 1.861 0.000 0.745) 2.005 15.791 ( -0.762 0.000 0.035) 0.763 15.791 ( 0.762 0.000 -0.035) 0.763 16.010 ( -1.262 0.000 -1.808) 2.205 16.010 ( 1.262 0.000 1.808) 2.205 16.279 ( -0.627 0.000 -0.188) 0.654 16.279 ( 0.627 0.000 0.188) 0.654 16.929 ( -1.161 0.000 -2.375) 2.643 16.929 ( 1.161 0.000 2.375) 2.643 17.113 ( 0.167 0.000 -2.756) 2.761 17.113 ( -0.167 0.000 2.756) 2.761 17.353 ( 1.514 0.000 -1.093) 1.868 17.353 ( -1.514 0.000 1.093) 1.868 17.420 ( 2.473 0.000 -1.120) 2.715 17.420 ( -2.473 0.000 1.120) 2.715 18.426 ( 2.170 0.000 -1.949) 2.916 18.426 ( -2.170 0.000 1.949) 2.916 18.723 ( -2.309 0.000 -0.840) 2.457 18.723 ( 2.309 0.000 0.840) 2.457 18.903 ( 0.619 0.000 -1.954) 2.050 18.903 ( -0.619 0.000 1.954) 2.050 19.095 ( 1.767 0.000 -0.871) 1.970 19.095 ( -1.767 0.000 0.871) 1.970 27.731 ( -0.457 0.000 -0.901) 1.010 27.731 ( 0.457 0.000 0.901) 1.010 27.853 ( 0.261 0.000 -1.330) 1.355 27.853 ( -0.261 0.000 1.330) 1.355 27.949 ( 0.453 0.000 -0.360) 0.578 27.949 ( -0.453 0.000 0.360) 0.578 28.034 ( 0.506 0.000 -1.409) 1.497 28.034 ( -0.506 0.000 1.409) 1.497 28.910 ( -0.004 0.000 -2.319) 2.319 28.910 ( 0.004 0.000 2.319) 2.319 29.287 ( -1.002 0.000 -0.732) 1.241 29.287 ( 1.002 0.000 0.732) 1.241 29.485 ( -1.314 0.000 -1.630) 2.094 29.485 ( 1.314 0.000 1.630) 2.094 29.726 ( -3.756 0.000 -1.564) 4.069 29.726 ( 3.756 0.000 1.564) 4.069 30.191 ( -0.463 0.000 -1.171) 1.259 30.191 ( 0.463 0.000 1.171) 1.259 30.363 ( -2.910 0.000 -4.502) 5.361 30.363 ( 2.910 0.000 4.502) 5.361 30.644 ( 3.487 0.000 -8.084) 8.804 30.644 ( -3.487 0.000 8.084) 8.804 30.904 ( -5.152 0.000 -2.880) 5.902 30.904 ( 5.152 0.000 2.880) 5.902 31.261 ( -6.633 0.000 -10.221) 12.185 31.261 ( 6.633 0.000 10.221) 12.185 31.889 ( 1.731 0.000 -4.791) 5.094 31.889 ( -1.731 0.000 4.791) 5.094 32.524 ( 2.108 0.000 -8.185) 8.452 32.524 ( -2.108 0.000 8.185) 8.452 32.909 ( -4.649 0.000 -5.810) 7.441 32.909 ( 4.649 0.000 5.810) 7.441 ======================= Grid point 103 (53/60) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 8.102 8.894 -16.288) 20.250 1.151 ( -8.102 8.894 16.288) 20.250 1.579 ( 1.888 4.860 -17.996) 18.736 1.579 ( -1.888 4.860 17.996) 18.736 2.006 ( 4.720 -5.737 -8.457) 11.257 2.006 ( -4.720 -5.737 8.457) 11.257 2.239 ( -0.742 -4.457 -2.254) 5.050 2.239 ( 0.742 -4.457 2.254) 5.050 2.309 ( -0.382 3.586 -4.438) 5.718 2.309 ( 0.382 3.586 4.438) 5.718 2.369 ( 2.053 -0.260 -6.015) 6.361 2.369 ( -2.053 -0.260 6.015) 6.361 2.581 ( -2.787 -2.263 -2.769) 4.534 2.581 ( 2.787 -2.263 2.769) 4.534 2.809 ( -2.297 0.699 -6.951) 7.354 2.809 ( 2.297 0.699 6.951) 7.354 2.899 ( 2.051 -0.424 -5.101) 5.515 2.899 ( -2.051 -0.424 5.101) 5.515 3.045 ( -7.523 -4.116 -4.354) 9.618 3.045 ( 7.523 -4.116 4.354) 9.618 3.275 ( 5.558 3.695 -12.541) 14.206 3.275 ( -5.558 3.695 12.541) 14.206 3.365 ( 4.222 3.624 -6.458) 8.524 3.365 ( -4.222 3.624 6.458) 8.524 3.547 ( 0.610 0.790 -1.330) 1.663 3.547 ( -0.610 0.790 1.330) 1.663 3.693 ( -3.330 -0.449 -4.904) 5.945 3.693 ( 3.330 -0.449 4.904) 5.945 3.838 ( -0.535 4.736 -3.236) 5.761 3.838 ( 0.535 4.736 3.236) 5.761 3.971 ( -1.433 0.639 -2.278) 2.766 3.971 ( 1.433 0.639 2.278) 2.766 4.135 ( 1.968 6.933 -4.003) 8.244 4.135 ( -1.968 6.933 4.003) 8.244 4.235 ( -2.118 -0.291 -6.527) 6.868 4.235 ( 2.118 -0.291 6.527) 6.868 4.400 ( -1.240 4.801 -6.061) 7.831 4.400 ( 1.240 4.801 6.061) 7.831 4.577 ( -2.893 -0.150 -5.405) 6.133 4.577 ( 2.893 -0.150 5.405) 6.133 4.749 ( -6.407 0.592 -2.495) 6.902 4.749 ( 6.407 0.592 2.495) 6.902 4.901 ( 2.074 -5.041 -6.870) 8.770 4.901 ( -2.074 -5.041 6.870) 8.770 5.035 ( 0.578 -1.831 -5.704) 6.019 5.035 ( -0.578 -1.831 5.704) 6.019 5.253 ( -2.570 2.153 -5.971) 6.848 5.253 ( 2.570 2.153 5.971) 6.848 5.362 ( 3.877 0.103 -3.643) 5.321 5.362 ( -3.877 0.103 3.643) 5.321 5.507 ( 2.604 -3.025 -9.090) 9.928 5.507 ( -2.604 -3.025 9.090) 9.928 5.712 ( 1.488 -11.972 -2.827) 12.391 5.712 ( -1.488 -11.972 2.827) 12.391 6.202 ( 0.232 -2.068 -2.561) 3.300 6.202 ( -0.232 -2.068 2.561) 3.300 6.464 ( 0.169 4.527 -2.300) 5.081 6.464 ( -0.169 4.527 2.300) 5.081 6.565 ( -1.267 2.866 -1.125) 3.329 6.565 ( 1.267 2.866 1.125) 3.329 7.128 ( -0.877 1.995 -1.762) 2.802 7.128 ( 0.877 1.995 1.762) 2.802 7.299 ( -1.560 -1.114 -0.916) 2.125 7.299 ( 1.560 -1.114 0.916) 2.125 7.902 ( 0.631 1.112 -1.000) 1.623 7.902 ( -0.631 1.112 1.000) 1.623 8.086 ( -1.057 -0.431 -2.141) 2.427 8.086 ( 1.057 -0.431 2.141) 2.427 8.707 ( -0.182 2.591 -1.801) 3.161 8.707 ( 0.182 2.591 1.801) 3.161 8.970 ( 1.150 -3.813 -1.388) 4.217 8.970 ( -1.150 -3.813 1.388) 4.217 9.529 ( -1.012 0.441 -1.707) 2.033 9.529 ( 1.012 0.441 1.707) 2.033 9.731 ( -3.859 -2.891 -6.773) 8.314 9.731 ( 3.859 -2.891 6.773) 8.314 10.732 ( 0.223 1.936 -0.436) 1.997 10.732 ( -0.223 1.936 0.436) 1.997 10.971 ( -1.178 -4.096 -0.864) 4.348 10.971 ( 1.178 -4.096 0.864) 4.348 11.036 ( -1.319 -1.950 -1.161) 2.625 11.036 ( 1.319 -1.950 1.161) 2.625 11.230 ( 0.077 2.895 -0.601) 2.957 11.230 ( -0.077 2.895 0.601) 2.957 11.711 ( 0.143 0.239 -2.513) 2.528 11.711 ( -0.143 0.239 2.513) 2.528 11.815 ( 1.099 -1.690 -1.999) 2.839 11.815 ( -1.099 -1.690 1.999) 2.839 12.903 ( 0.633 -0.141 -5.474) 5.512 12.903 ( -0.633 -0.141 5.474) 5.512 12.976 ( 0.271 -0.798 -6.692) 6.745 12.976 ( -0.271 -0.798 6.692) 6.745 14.301 ( -0.195 0.619 -0.267) 0.701 14.301 ( 0.195 0.619 0.267) 0.701 14.637 ( 1.737 -1.494 -2.284) 3.235 14.637 ( -1.737 -1.494 2.284) 3.235 14.872 ( 1.327 -0.027 -1.132) 1.744 14.872 ( -1.327 -0.027 1.132) 1.744 14.994 ( -1.302 1.968 -0.022) 2.360 14.994 ( 1.302 1.968 0.022) 2.360 15.579 ( -0.489 -0.904 -0.594) 1.187 15.579 ( 0.489 -0.904 0.594) 1.187 15.754 ( -0.585 0.727 -0.622) 1.121 15.754 ( 0.585 0.727 0.622) 1.121 15.999 ( 1.127 0.742 -1.402) 1.946 15.999 ( -1.127 0.742 1.402) 1.946 16.206 ( -0.549 -1.698 -0.741) 1.932 16.206 ( 0.549 -1.698 0.741) 1.932 16.854 ( 0.716 -0.789 -1.231) 1.628 16.854 ( -0.716 -0.789 1.231) 1.628 17.089 ( 0.448 2.007 -2.876) 3.536 17.089 ( -0.448 2.007 2.876) 3.536 17.375 ( -0.652 0.097 -2.324) 2.416 17.375 ( 0.652 0.097 2.324) 2.416 17.579 ( 1.341 -1.115 -1.063) 2.042 17.579 ( -1.341 -1.115 1.063) 2.042 18.532 ( -0.454 0.815 -1.754) 1.987 18.532 ( 0.454 0.815 1.754) 1.987 18.593 ( -1.373 2.623 -4.203) 5.141 18.593 ( 1.373 2.623 4.203) 5.141 18.926 ( -2.242 1.922 -0.324) 2.971 18.926 ( 2.242 1.922 0.324) 2.971 19.083 ( -2.367 -1.167 -1.583) 3.077 19.083 ( 2.367 -1.167 1.583) 3.077 27.722 ( 0.374 -0.176 -1.163) 1.234 27.722 ( -0.374 -0.176 1.163) 1.234 27.847 ( -0.240 -1.068 -1.163) 1.597 27.847 ( 0.240 -1.068 1.163) 1.597 27.923 ( 0.321 -2.206 -1.419) 2.643 27.923 ( -0.321 -2.206 1.419) 2.643 28.028 ( -0.260 -0.676 -1.795) 1.935 28.028 ( 0.260 -0.676 1.795) 1.935 29.019 ( 0.313 8.021 -2.526) 8.415 29.019 ( -0.313 8.021 2.526) 8.415 29.438 ( -1.472 4.135 -1.503) 4.639 29.438 ( 1.472 4.135 1.503) 4.639 29.599 ( -1.095 0.942 -0.251) 1.466 29.599 ( 1.095 0.942 0.251) 1.466 29.717 ( -6.846 0.275 -5.158) 8.577 29.717 ( 6.846 0.275 5.158) 8.577 30.170 ( -2.016 -0.340 -9.407) 9.626 30.170 ( 2.016 -0.340 9.407) 9.626 30.421 ( -3.228 -4.400 -1.524) 5.666 30.421 ( 3.228 -4.400 1.524) 5.666 30.671 ( -5.471 2.474 -6.835) 9.098 30.671 ( 5.471 2.474 6.835) 9.098 30.888 ( -1.684 4.061 -6.884) 8.168 30.888 ( 1.684 4.061 6.884) 8.168 31.421 ( -2.536 -9.456 -7.604) 12.396 31.421 ( 2.536 -9.456 7.604) 12.396 32.142 ( -4.057 -1.001 -2.556) 4.899 32.142 ( 4.057 -1.001 2.556) 4.899 32.265 ( -3.561 1.163 0.172) 3.750 32.265 ( 3.561 1.163 -0.172) 3.750 32.531 ( -8.948 -1.982 0.193) 9.167 32.531 ( 8.948 -1.982 -0.193) 9.167 ======================= Grid point 105 (54/60) ======================= q-point: ( 0.17 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 6.864 8.921 9.978) 15.042 1.408 ( 10.590 11.490 -9.392) 18.231 1.605 ( 6.261 1.694 -2.169) 6.839 1.663 ( 5.797 2.504 -2.433) 6.767 1.925 ( -3.453 -9.264 4.129) 10.714 2.082 ( 2.602 -1.103 -2.115) 3.529 2.186 ( -4.185 -3.766 -7.907) 9.706 2.230 ( -1.554 -5.733 0.614) 5.971 2.277 ( -0.620 6.306 0.103) 6.337 2.284 ( 1.655 -1.007 -4.064) 4.502 2.402 ( 3.538 2.885 1.050) 4.685 2.491 ( 3.616 -0.339 -3.930) 5.352 2.529 ( 1.459 0.569 -2.123) 2.638 2.616 ( -1.093 -1.219 -0.781) 1.814 2.701 ( -11.137 -3.707 6.039) 13.200 2.727 ( -5.277 -0.338 -0.334) 5.298 2.834 ( -3.738 -1.517 -1.082) 4.177 2.956 ( 0.739 0.039 -2.290) 2.406 2.962 ( 3.877 0.439 12.109) 12.722 3.105 ( -4.392 -1.260 8.677) 9.806 3.180 ( -8.427 3.042 5.984) 10.774 3.304 ( 3.016 3.863 3.150) 5.826 3.367 ( 2.148 5.114 -8.071) 9.793 3.401 ( 1.630 2.308 -11.580) 11.920 3.444 ( -6.948 -0.390 1.928) 7.221 3.560 ( -1.792 -0.405 0.765) 1.990 3.689 ( -1.559 1.228 3.299) 3.850 3.749 ( 1.748 -1.946 1.104) 2.839 3.783 ( 1.234 -0.842 -8.078) 8.215 3.852 ( 1.587 2.207 -0.682) 2.803 3.939 ( -4.741 1.309 1.212) 5.066 4.023 ( -0.611 4.777 4.547) 6.623 4.052 ( -1.877 4.260 2.349) 5.214 4.139 ( 2.051 4.231 1.314) 4.882 4.233 ( 2.833 6.818 -3.808) 8.307 4.330 ( -2.995 5.784 -1.659) 6.721 4.344 ( 5.662 -3.314 0.277) 6.566 4.441 ( 0.371 4.893 1.270) 5.068 4.536 ( -0.188 0.679 -5.916) 5.958 4.595 ( -4.026 -2.731 1.779) 5.180 4.686 ( 2.770 0.315 -3.185) 4.233 4.811 ( -0.425 0.716 1.658) 1.855 4.860 ( -2.003 -1.250 4.758) 5.312 4.984 ( 4.910 -2.870 -4.623) 7.329 5.036 ( 0.553 -2.083 1.125) 2.431 5.054 ( -0.504 0.219 1.215) 1.334 5.167 ( -3.238 2.627 -5.853) 7.187 5.223 ( -4.442 -0.452 9.826) 10.793 5.361 ( 3.590 -2.880 -1.243) 4.768 5.443 ( -1.055 -2.583 4.794) 5.546 5.466 ( 1.254 -1.230 3.324) 3.760 5.537 ( 0.917 -3.192 -5.687) 6.586 5.643 ( -3.666 -11.528 1.779) 12.226 5.722 ( -1.580 -11.556 -3.742) 12.249 6.138 ( -2.865 1.408 1.929) 3.730 6.179 ( -4.826 1.397 -2.230) 5.497 6.467 ( 6.567 0.871 -0.650) 6.656 6.510 ( 1.794 2.475 2.376) 3.871 6.564 ( 1.925 2.919 -0.647) 3.556 6.709 ( 6.442 3.601 -1.129) 7.466 7.103 ( -2.505 3.010 2.095) 4.441 7.115 ( 0.010 1.805 -1.493) 2.343 7.331 ( 5.806 -2.863 -4.655) 7.973 7.403 ( 5.786 -1.758 0.399) 6.061 7.920 ( 2.149 0.855 2.366) 3.308 7.947 ( 3.284 0.510 -1.787) 3.774 8.058 ( -1.421 0.131 -2.451) 2.836 8.102 ( 0.333 -0.974 2.103) 2.342 8.685 ( -1.089 1.748 -0.317) 2.083 8.716 ( -0.208 2.910 0.209) 2.925 8.929 ( -2.678 -4.146 1.630) 5.198 8.963 ( -1.719 -2.987 -0.757) 3.529 9.516 ( 0.073 -0.222 -2.054) 2.067 9.546 ( 0.088 -0.186 0.481) 0.523 9.650 ( -2.489 -0.439 -3.425) 4.256 9.779 ( 0.058 -2.792 6.558) 7.127 10.728 ( -0.005 2.022 0.504) 2.084 10.741 ( 0.417 2.003 0.050) 2.046 10.940 ( -1.564 -3.641 -1.097) 4.112 10.986 ( 0.319 -4.519 0.222) 4.536 11.000 ( -1.950 -1.377 -0.328) 2.410 11.053 ( 0.085 -2.353 1.219) 2.651 11.240 ( 1.965 2.795 -0.221) 3.423 11.273 ( 2.880 3.058 -0.297) 4.211 11.706 ( -0.144 0.031 0.428) 0.453 11.717 ( 0.265 0.366 -0.626) 0.772 11.791 ( -1.244 -1.231 2.529) 3.075 11.821 ( -0.505 -1.931 -2.206) 2.975 12.873 ( -1.827 0.145 2.401) 3.021 12.897 ( -1.155 0.497 -2.116) 2.462 12.974 ( -0.389 -0.863 5.643) 5.722 12.977 ( 0.178 -0.845 -5.663) 5.729 14.303 ( 0.809 0.662 -0.133) 1.054 14.318 ( 1.031 0.306 -0.471) 1.174 14.603 ( -1.646 -0.728 1.909) 2.624 14.651 ( -0.619 -1.875 -2.484) 3.173 14.863 ( 0.725 0.393 0.728) 1.101 14.906 ( 2.148 -0.442 -1.581) 2.704 14.992 ( 1.013 2.122 0.583) 2.422 15.032 ( 1.911 1.048 0.688) 2.285 15.533 ( -2.542 -0.300 0.841) 2.695 15.586 ( -1.100 -1.326 -0.107) 1.726 15.755 ( 0.647 0.715 -0.555) 1.113 15.775 ( 1.203 0.202 0.036) 1.220 15.985 ( -0.072 1.008 1.943) 2.190 16.024 ( 1.110 0.616 -0.717) 1.458 16.213 ( 1.102 -1.582 -0.716) 2.057 16.233 ( 1.729 -1.639 0.219) 2.392 16.856 ( 0.887 -0.584 1.138) 1.557 16.878 ( 1.641 -1.326 -1.398) 2.531 17.097 ( 0.977 1.851 2.829) 3.519 17.109 ( 1.539 2.325 -2.539) 3.771 17.352 ( -1.251 -0.088 -2.254) 2.580 17.382 ( -0.210 -0.032 1.327) 1.343 17.503 ( -4.765 -0.458 -0.146) 4.789 17.569 ( -2.729 -0.682 -0.548) 2.866 18.475 ( -4.067 1.133 -0.039) 4.222 18.507 ( -2.024 -0.893 0.245) 2.226 18.593 ( 3.852 2.548 -0.445) 4.639 18.709 ( 5.139 3.660 -0.553) 6.333 18.893 ( -0.869 1.064 -0.956) 1.673 18.970 ( 0.871 0.343 -1.024) 1.387 19.018 ( -2.199 -0.558 0.943) 2.457 19.120 ( 0.636 -1.166 1.444) 1.962 27.717 ( -0.111 -0.096 0.979) 0.990 27.730 ( 0.386 -0.289 -0.978) 1.091 27.842 ( -0.034 -0.999 -1.035) 1.439 27.854 ( 0.301 -0.620 0.867) 1.108 27.913 ( -0.466 -2.345 0.951) 2.573 27.928 ( 0.017 -2.558 -1.056) 2.768 28.020 ( -0.325 -0.491 -1.490) 1.602 28.030 ( -0.192 -0.928 1.939) 2.158 29.011 ( -0.660 7.789 2.596) 8.237 29.017 ( -0.315 7.879 -2.533) 8.282 29.391 ( -2.722 4.031 -1.134) 4.994 29.452 ( -0.974 4.578 -0.190) 4.684 29.528 ( -5.457 -0.480 0.340) 5.489 29.591 ( -1.919 1.910 0.182) 2.714 29.632 ( 0.057 0.735 0.265) 0.783 29.815 ( 1.367 -1.625 5.086) 5.512 30.138 ( 0.209 1.209 -3.777) 3.971 30.215 ( 1.582 -1.128 8.084) 8.314 30.317 ( -4.181 -0.792 0.229) 4.261 30.502 ( 1.152 -3.330 0.574) 3.570 30.557 ( -3.381 2.736 -5.903) 7.332 30.725 ( -0.504 2.944 4.907) 5.744 30.856 ( 1.171 -3.499 1.535) 3.996 31.019 ( 5.690 5.144 3.516) 8.438 31.268 ( -10.962 -8.863 -6.730) 15.620 31.423 ( -0.874 -4.956 2.623) 5.675 32.014 ( -6.542 -0.500 -2.388) 6.982 32.017 ( -10.887 -0.665 -3.088) 11.336 32.313 ( 6.434 -0.086 2.176) 6.793 32.436 ( 8.901 3.055 2.446) 9.723 32.514 ( 6.569 -3.163 0.431) 7.304 32.755 ( 10.246 -4.358 -5.724) 12.519 ======================= Grid point 106 (55/60) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 12.416 7.219 1.557) 14.447 1.522 ( 3.742 11.518 -4.049) 12.769 1.724 ( 5.861 -6.312 -10.886) 13.882 1.791 ( 3.105 -2.756 2.536) 4.865 1.893 ( 0.493 -6.114 1.201) 6.250 2.065 ( -9.064 -4.713 4.731) 11.259 2.095 ( -1.469 -0.647 0.835) 1.809 2.210 ( -2.350 -3.374 -5.517) 6.881 2.254 ( 1.592 1.061 0.202) 1.924 2.365 ( 1.620 5.316 -0.463) 5.577 2.434 ( -5.662 6.747 -3.422) 9.449 2.471 ( -2.120 5.293 3.636) 6.763 2.505 ( 4.263 3.981 -2.214) 6.239 2.609 ( 3.804 -2.248 -1.197) 4.578 2.658 ( 4.741 -1.159 0.084) 4.882 2.699 ( 3.347 -4.023 -5.750) 7.775 2.776 ( -2.796 -1.363 -1.644) 3.518 2.913 ( -4.014 1.192 0.509) 4.218 2.972 ( -5.833 0.628 7.888) 9.831 3.078 ( -1.607 -2.312 1.494) 3.187 3.117 ( -3.306 3.345 4.854) 6.759 3.197 ( 0.858 8.707 11.372) 14.348 3.260 ( -8.810 1.610 3.371) 9.570 3.438 ( 3.239 -0.995 -9.148) 9.755 3.477 ( -1.996 -4.712 1.002) 5.214 3.534 ( -6.343 1.100 -1.338) 6.575 3.577 ( 5.623 2.432 -1.196) 6.242 3.704 ( -4.269 -7.925 0.799) 9.037 3.841 ( -3.508 4.124 -0.143) 5.416 3.871 ( -2.675 2.675 0.665) 3.841 3.962 ( 6.736 3.645 -3.412) 8.385 4.011 ( 5.468 4.814 -0.902) 7.341 4.064 ( 2.872 -0.986 0.873) 3.159 4.191 ( 0.962 0.240 1.470) 1.773 4.273 ( 0.389 7.786 -9.260) 12.105 4.325 ( 2.888 8.081 3.943) 9.444 4.395 ( -3.232 2.897 3.211) 5.399 4.428 ( -1.785 1.103 -0.920) 2.291 4.502 ( 0.027 -4.578 -6.189) 7.698 4.571 ( 0.985 -3.073 -1.249) 3.461 4.732 ( 1.367 1.028 -3.032) 3.481 4.791 ( -0.720 2.499 3.133) 4.072 4.842 ( -0.818 2.302 2.970) 3.846 4.969 ( -6.042 1.458 3.639) 7.203 5.016 ( 0.034 -1.867 1.581) 2.447 5.085 ( 2.701 0.477 -5.741) 6.363 5.141 ( -0.511 2.153 -1.998) 2.981 5.182 ( -0.009 -1.444 3.193) 3.504 5.391 ( -1.078 -6.431 7.539) 9.967 5.452 ( 3.682 -3.911 3.449) 6.383 5.480 ( -1.544 -2.578 2.882) 4.164 5.537 ( -0.307 -3.527 -2.770) 4.495 5.591 ( -1.356 -10.035 -1.008) 10.177 5.662 ( -3.479 -9.457 -3.416) 10.640 6.081 ( -1.787 2.296 3.005) 4.183 6.120 ( -1.803 1.020 -4.329) 4.800 6.552 ( 2.382 3.747 3.325) 5.547 6.597 ( 1.203 2.229 -1.003) 2.724 6.624 ( 7.206 1.392 -1.164) 7.431 6.781 ( 0.828 3.100 -1.554) 3.565 7.068 ( -0.081 4.472 1.363) 4.676 7.126 ( 0.233 2.032 -0.586) 2.128 7.456 ( 5.822 -4.581 -5.796) 9.406 7.499 ( 3.364 -3.355 1.387) 4.950 7.966 ( 1.443 0.195 4.808) 5.024 7.995 ( 0.424 -0.375 -4.320) 4.357 8.042 ( 1.159 0.037 -2.733) 2.969 8.101 ( -0.588 -1.235 2.389) 2.753 8.669 ( -0.312 1.274 -0.508) 1.407 8.699 ( -1.335 2.353 0.523) 2.756 8.881 ( -1.810 -3.655 1.346) 4.295 8.912 ( -2.831 -2.592 -0.469) 3.866 9.522 ( 0.833 -0.124 -2.228) 2.382 9.549 ( 0.482 -0.779 0.346) 0.979 9.639 ( 1.071 0.945 -1.349) 1.965 9.750 ( -2.995 -1.651 4.544) 5.688 10.733 ( 0.403 2.237 0.295) 2.292 10.746 ( 0.041 2.205 0.159) 2.211 10.917 ( -0.508 -3.291 -0.746) 3.413 10.955 ( -2.069 -2.348 -0.339) 3.148 10.999 ( 0.795 -3.285 0.290) 3.392 11.044 ( -0.952 -2.632 0.668) 2.877 11.294 ( 2.960 2.760 -0.690) 4.106 11.327 ( 1.972 3.142 0.556) 3.751 11.707 ( 0.202 -0.063 0.683) 0.715 11.719 ( -0.099 0.242 -0.816) 0.857 11.774 ( -0.676 -1.197 2.603) 2.944 11.796 ( -1.427 -1.440 -2.839) 3.488 12.847 ( -0.750 0.614 1.651) 1.914 12.867 ( -1.425 0.989 -1.327) 2.184 12.970 ( -0.416 -0.895 7.137) 7.205 12.974 ( 0.087 -0.773 -7.109) 7.151 14.326 ( 1.150 0.490 -0.015) 1.250 14.336 ( 0.659 0.179 -0.580) 0.896 14.577 ( -0.911 -0.481 1.986) 2.237 14.614 ( -2.289 -0.953 -2.305) 3.385 14.901 ( 2.496 -0.143 0.511) 2.552 14.944 ( 1.263 -0.587 -1.670) 2.175 15.024 ( 1.812 1.477 0.295) 2.356 15.060 ( 0.632 0.713 1.116) 1.467 15.494 ( -1.071 -0.089 0.942) 1.429 15.544 ( -2.559 -1.149 -0.312) 2.823 15.772 ( 0.911 0.183 -0.245) 0.961 15.792 ( 0.320 -0.305 -0.316) 0.544 16.001 ( 1.312 1.503 1.925) 2.772 16.038 ( 0.235 0.891 -0.776) 1.205 16.239 ( 1.374 -1.463 -0.301) 2.029 16.261 ( 0.759 -1.506 -0.090) 1.689 16.886 ( 1.680 -0.671 1.524) 2.365 16.908 ( 1.163 -1.639 -1.701) 2.634 17.124 ( 1.322 2.026 2.607) 3.556 17.136 ( 1.128 2.467 -2.377) 3.607 17.333 ( -0.193 -0.358 -1.840) 1.885 17.370 ( -1.113 -0.817 0.576) 1.496 17.423 ( -2.364 0.458 -0.775) 2.529 17.492 ( -4.305 -0.189 0.641) 4.356 18.418 ( -1.298 0.540 -0.903) 1.670 18.465 ( -2.413 -1.182 0.880) 2.827 18.677 ( 4.306 2.616 0.075) 5.039 18.781 ( 1.625 4.237 0.101) 4.539 18.885 ( -0.170 -1.039 -1.230) 1.619 18.921 ( -2.740 -1.037 -1.038) 3.109 19.044 ( 2.365 -0.485 0.202) 2.423 19.115 ( -1.056 -0.963 1.414) 2.011 27.720 ( 0.292 -0.108 0.929) 0.979 27.733 ( -0.025 -0.328 -0.922) 0.979 27.845 ( 0.348 -0.553 -0.996) 1.191 27.858 ( -0.061 0.027 0.863) 0.866 27.908 ( -0.068 -2.855 1.067) 3.048 27.922 ( -0.470 -2.885 -1.232) 3.172 28.016 ( 0.023 -0.664 -1.356) 1.510 28.025 ( -0.446 -1.086 1.826) 2.171 29.002 ( -0.380 7.299 2.746) 7.808 29.007 ( -0.367 7.401 -2.575) 7.844 29.339 ( -1.969 3.460 -0.711) 4.044 29.378 ( -4.285 3.025 -0.669) 5.288 29.485 ( 0.009 1.287 2.252) 2.594 29.547 ( -2.313 2.224 -0.311) 3.224 29.661 ( 2.400 0.031 0.759) 2.517 29.789 ( -3.099 -1.584 0.722) 3.555 30.171 ( 2.100 0.941 2.160) 3.156 30.222 ( -1.262 1.240 2.087) 2.737 30.296 ( 2.119 -0.616 2.376) 3.242 30.439 ( -4.045 0.296 -2.992) 5.040 30.581 ( 3.117 0.299 -3.316) 4.561 30.703 ( -2.271 1.060 7.233) 7.655 30.836 ( -2.106 -4.998 -0.250) 5.429 31.017 ( -9.982 -5.979 -6.250) 13.208 31.162 ( 5.963 4.192 9.007) 11.587 31.396 ( -2.845 0.284 -4.065) 4.970 31.856 ( -3.428 -2.450 -5.782) 7.155 31.908 ( -4.209 -2.384 0.706) 4.888 32.454 ( 6.450 1.005 0.320) 6.536 32.540 ( 2.447 2.783 2.417) 4.425 32.710 ( 9.631 -4.127 3.947) 11.197 32.882 ( 2.726 -4.919 -6.835) 8.851 ======================= Grid point 107 (56/60) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 3.072 6.124 -2.807) 7.404 1.540 ( -3.072 6.124 2.807) 7.404 1.817 ( 0.534 -6.661 -3.254) 7.432 1.817 ( -0.534 -6.661 3.254) 7.432 1.906 ( 4.659 -4.621 -8.923) 11.076 1.906 ( -4.659 -4.621 8.923) 11.076 2.087 ( -0.041 -2.693 -2.576) 3.727 2.087 ( 0.041 -2.693 2.576) 3.727 2.334 ( -0.449 7.265 -2.890) 7.831 2.334 ( 0.449 7.265 2.890) 7.831 2.416 ( 3.359 7.263 -6.169) 10.104 2.416 ( -3.359 7.263 6.169) 10.104 2.661 ( -2.271 -1.906 -1.546) 3.344 2.661 ( 2.271 -1.906 1.546) 3.344 2.747 ( -2.564 3.536 -4.930) 6.586 2.747 ( 2.564 3.536 4.930) 6.586 2.760 ( -0.145 -1.623 -1.169) 2.005 2.760 ( 0.145 -1.623 1.169) 2.005 2.960 ( 0.818 2.773 -5.594) 6.297 2.960 ( -0.818 2.773 5.594) 6.297 3.103 ( -5.821 -0.058 -0.886) 5.888 3.103 ( 5.821 -0.058 0.886) 5.888 3.363 ( -7.999 4.217 -8.981) 12.745 3.363 ( 7.999 4.217 8.981) 12.745 3.473 ( -2.027 -7.843 -1.066) 8.170 3.473 ( 2.027 -7.843 1.066) 8.170 3.699 ( -3.213 0.094 -0.934) 3.347 3.699 ( 3.213 0.094 0.934) 3.347 3.758 ( -2.352 0.678 -1.111) 2.688 3.758 ( 2.352 0.678 1.111) 2.688 4.073 ( 0.804 8.708 -8.728) 12.356 4.073 ( -0.804 8.708 8.728) 12.356 4.164 ( -0.583 -2.755 -0.937) 2.968 4.164 ( 0.583 -2.755 0.937) 2.968 4.295 ( 3.670 5.855 -4.857) 8.447 4.295 ( -3.670 5.855 4.857) 8.447 4.374 ( -0.478 2.554 -5.373) 5.969 4.374 ( 0.478 2.554 5.373) 5.969 4.553 ( 0.296 -3.826 -2.852) 4.781 4.553 ( -0.296 -3.826 2.852) 4.781 4.772 ( 0.957 2.603 -2.640) 3.829 4.772 ( -0.957 2.603 2.640) 3.829 4.850 ( 3.746 2.491 -5.293) 6.947 4.850 ( -3.746 2.491 5.293) 6.947 5.063 ( 2.214 -1.014 -6.926) 7.342 5.063 ( -2.214 -1.014 6.926) 7.342 5.167 ( 2.054 0.030 -7.304) 7.587 5.167 ( -2.054 0.030 7.304) 7.587 5.425 ( -1.762 -4.049 -3.530) 5.653 5.425 ( 1.762 -4.049 3.530) 5.653 5.517 ( -1.368 -4.436 -4.782) 6.664 5.517 ( 1.368 -4.436 4.782) 6.664 5.596 ( -1.041 -8.779 -2.565) 9.205 5.596 ( 1.041 -8.779 2.565) 9.205 6.082 ( -1.024 0.859 -4.007) 4.224 6.082 ( 1.024 0.859 4.007) 4.224 6.595 ( -1.229 3.665 -2.562) 4.637 6.595 ( 1.229 3.665 2.562) 4.637 6.741 ( -2.326 2.578 -3.815) 5.159 6.741 ( 2.326 2.578 3.815) 5.159 7.103 ( -1.751 3.419 -0.124) 3.843 7.103 ( 1.751 3.419 0.124) 3.843 7.526 ( 0.584 -4.552 -9.744) 10.770 7.526 ( -0.584 -4.552 9.744) 10.770 7.982 ( -0.332 -0.244 -5.163) 5.179 7.982 ( 0.332 -0.244 5.163) 5.179 8.080 ( 1.659 -0.998 -3.265) 3.796 8.080 ( -1.659 -0.998 3.265) 3.796 8.675 ( 0.271 1.596 -1.851) 2.459 8.675 ( -0.271 1.596 1.851) 2.459 8.871 ( -0.664 -2.904 -1.101) 3.175 8.871 ( 0.664 -2.904 1.101) 3.175 9.545 ( 1.034 -0.003 -1.565) 1.876 9.545 ( -1.034 -0.003 1.565) 1.876 9.684 ( 3.339 -0.424 -2.790) 4.372 9.684 ( -3.339 -0.424 2.790) 4.372 10.742 ( -0.008 2.374 -1.109) 2.620 10.742 ( 0.008 2.374 1.109) 2.620 10.922 ( -0.087 -2.860 -1.452) 3.209 10.922 ( 0.087 -2.860 1.452) 3.209 11.021 ( -0.135 -2.899 -2.104) 3.585 11.021 ( 0.135 -2.899 2.104) 3.585 11.338 ( 0.447 2.979 -1.888) 3.555 11.338 ( -0.447 2.979 1.888) 3.555 11.713 ( -0.017 0.021 -2.766) 2.766 11.713 ( 0.017 0.021 2.766) 2.766 11.773 ( -0.273 -1.185 -3.713) 3.908 11.773 ( 0.273 -1.185 3.713) 3.908 12.846 ( 0.029 0.904 -4.566) 4.654 12.846 ( -0.029 0.904 4.566) 4.654 12.970 ( 0.167 -0.790 -7.163) 7.209 12.970 ( -0.167 -0.790 7.163) 7.209 14.341 ( -0.067 0.293 -0.817) 0.871 14.341 ( 0.067 0.293 0.817) 0.871 14.577 ( -0.809 -0.505 -2.316) 2.505 14.577 ( 0.809 -0.505 2.316) 2.505 14.943 ( -1.202 -0.425 -0.977) 1.606 14.943 ( 1.202 -0.425 0.977) 1.606 15.055 ( 1.056 0.868 -0.730) 1.549 15.055 ( -1.056 0.868 0.730) 1.549 15.499 ( -1.497 -0.523 -0.636) 1.708 15.499 ( 1.497 -0.523 0.636) 1.708 15.788 ( -0.595 -0.269 -0.045) 0.655 15.788 ( 0.595 -0.269 0.045) 0.655 16.029 ( -0.998 1.442 -1.438) 2.268 16.029 ( 0.998 1.442 1.438) 2.268 16.261 ( -0.647 -1.435 -0.075) 1.576 16.261 ( 0.647 -1.435 0.075) 1.576 16.913 ( -0.558 -1.178 -2.063) 2.440 16.913 ( 0.558 -1.178 2.063) 2.440 17.144 ( -0.232 2.340 -2.147) 3.184 17.144 ( 0.232 2.340 2.147) 3.184 17.343 ( 0.846 -0.755 -1.003) 1.514 17.343 ( -0.846 -0.755 1.003) 1.514 17.423 ( 0.398 0.149 -0.602) 0.737 17.423 ( -0.398 0.149 0.602) 0.737 18.422 ( 1.585 -0.291 -1.427) 2.152 18.422 ( -1.585 -0.291 1.427) 2.152 18.757 ( -2.940 2.799 -0.795) 4.137 18.757 ( 2.940 2.799 0.795) 4.137 18.890 ( -0.641 -0.912 -2.466) 2.706 18.890 ( 0.641 -0.912 2.466) 2.706 19.086 ( 1.300 -0.928 -1.021) 1.896 19.086 ( -1.300 -0.928 1.021) 1.896 27.728 ( -0.344 -0.225 -1.009) 1.090 27.728 ( 0.344 -0.225 1.009) 1.090 27.853 ( 0.360 -0.022 -1.122) 1.178 27.853 ( -0.360 -0.022 1.122) 1.178 27.912 ( -0.283 -3.005 -1.358) 3.310 27.912 ( 0.283 -3.005 1.358) 3.310 28.018 ( 0.324 -1.001 -1.557) 1.879 28.018 ( -0.324 -1.001 1.557) 1.879 29.001 ( -0.036 7.065 -2.701) 7.564 29.001 ( 0.036 7.065 2.701) 7.564 29.325 ( -0.105 2.878 -1.015) 3.053 29.325 ( 0.105 2.878 1.015) 3.053 29.505 ( -1.650 2.089 -1.227) 2.931 29.505 ( 1.650 2.089 1.227) 2.931 29.721 ( -2.937 -0.644 -0.930) 3.147 29.721 ( 2.937 -0.644 0.930) 3.147 30.201 ( -0.819 1.082 -1.249) 1.845 30.201 ( 0.819 1.082 1.249) 1.845 30.360 ( -3.228 -0.407 -3.474) 4.760 30.360 ( 3.228 -0.407 3.474) 4.760 30.646 ( 3.612 0.413 -6.349) 7.316 30.646 ( -3.612 0.413 6.349) 7.316 30.854 ( -4.413 -4.165 -3.050) 6.791 30.854 ( 4.413 -4.165 3.050) 6.791 31.297 ( -5.971 2.849 -7.674) 10.132 31.297 ( 5.971 2.849 7.674) 10.132 31.847 ( 1.964 -3.522 -4.007) 5.685 31.847 ( -1.964 -3.522 4.007) 5.685 32.544 ( 0.589 1.966 -8.178) 8.432 32.544 ( -0.589 1.966 8.178) 8.432 32.858 ( -4.236 -4.489 -5.973) 8.589 32.858 ( 4.236 -4.489 5.973) 8.589 ======================= Grid point 111 (57/60) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 4.941 11.263 -8.976) 15.226 1.391 ( -4.941 11.263 8.976) 15.226 1.658 ( 0.516 0.544 -6.708) 6.750 1.658 ( -0.516 0.544 6.708) 6.750 1.877 ( 4.945 -4.102 -7.355) 9.766 1.877 ( -4.945 -4.102 7.355) 9.766 2.112 ( -0.949 -6.031 -2.068) 6.446 2.112 ( 0.949 -6.031 2.068) 6.446 2.340 ( -3.861 -0.212 -2.781) 4.763 2.340 ( 3.861 -0.212 2.781) 4.763 2.408 ( -1.924 2.534 -3.436) 4.683 2.408 ( 1.924 2.534 3.436) 4.683 2.564 ( -0.759 0.382 -0.463) 0.967 2.564 ( 0.759 0.382 0.463) 0.967 2.724 ( 2.168 -4.499 -1.251) 5.148 2.724 ( -2.168 -4.499 1.251) 5.148 2.902 ( 2.656 -0.949 -2.343) 3.667 2.902 ( -2.656 -0.949 2.343) 3.667 2.989 ( -1.439 -0.618 -3.292) 3.646 2.989 ( 1.439 -0.618 3.292) 3.646 3.407 ( 2.398 4.743 -5.138) 7.392 3.407 ( -2.398 4.743 5.138) 7.392 3.473 ( 1.481 4.226 -1.993) 4.902 3.473 ( -1.481 4.226 1.993) 4.902 3.555 ( 4.513 2.429 -7.500) 9.083 3.555 ( -4.513 2.429 7.500) 9.083 3.650 ( -0.740 -2.922 -3.661) 4.742 3.650 ( 0.740 -2.922 3.661) 4.742 3.933 ( -1.290 1.404 -6.978) 7.234 3.933 ( 1.290 1.404 6.978) 7.234 4.038 ( -5.983 5.334 -6.828) 10.530 4.038 ( 5.983 5.334 6.828) 10.530 4.175 ( -1.348 2.424 -6.986) 7.517 4.175 ( 1.348 2.424 6.986) 7.517 4.320 ( -1.465 -0.248 -6.899) 7.057 4.320 ( 1.465 -0.248 6.899) 7.057 4.427 ( 1.782 0.053 -2.515) 3.083 4.427 ( -1.782 0.053 2.515) 3.083 4.531 ( -0.417 -4.147 -3.262) 5.292 4.531 ( 0.417 -4.147 3.262) 5.292 4.794 ( -3.046 -0.719 -2.591) 4.062 4.794 ( 3.046 -0.719 2.591) 4.062 4.869 ( -0.482 7.703 -5.548) 9.505 4.869 ( 0.482 7.703 5.548) 9.505 4.999 ( 0.788 -2.355 -7.325) 7.734 4.999 ( -0.788 -2.355 7.325) 7.734 5.225 ( 0.769 -5.249 -2.297) 5.781 5.225 ( -0.769 -5.249 2.297) 5.781 5.373 ( 3.116 1.422 -7.953) 8.659 5.373 ( -3.116 1.422 7.953) 8.659 5.426 ( 2.976 -4.052 -7.841) 9.314 5.426 ( -2.976 -4.052 7.841) 9.314 5.535 ( 0.799 -2.953 -2.499) 3.950 5.535 ( -0.799 -2.953 2.499) 3.950 6.163 ( 0.335 -1.195 -1.215) 1.737 6.163 ( -0.335 -1.195 1.215) 1.737 6.533 ( -0.355 1.817 -1.078) 2.142 6.533 ( 0.355 1.817 1.078) 2.142 6.604 ( -1.319 0.692 -0.190) 1.501 6.604 ( 1.319 0.692 0.190) 1.501 7.189 ( -2.121 3.516 -0.409) 4.126 7.189 ( 2.121 3.516 0.409) 4.126 7.258 ( -1.276 -2.737 -0.827) 3.131 7.258 ( 1.276 -2.737 0.827) 3.131 7.935 ( -0.189 1.571 -0.648) 1.710 7.935 ( 0.189 1.571 0.648) 1.710 8.066 ( -0.270 -1.156 -0.645) 1.351 8.066 ( 0.270 -1.156 0.645) 1.351 8.778 ( 1.174 3.893 -1.730) 4.419 8.778 ( -1.174 3.893 1.730) 4.419 8.874 ( 1.642 -4.744 -2.116) 5.448 8.874 ( -1.642 -4.744 2.116) 5.448 9.541 ( -0.888 0.561 -1.080) 1.507 9.541 ( 0.888 0.561 1.080) 1.507 9.673 ( -1.941 -1.939 -2.736) 3.875 9.673 ( 1.941 -1.939 2.736) 3.875 10.785 ( -0.181 2.428 -0.149) 2.440 10.785 ( 0.181 2.428 0.149) 2.440 10.898 ( -0.610 -2.454 -0.196) 2.537 10.898 ( 0.610 -2.454 0.196) 2.537 10.991 ( -0.583 -1.748 -0.546) 1.922 10.991 ( 0.583 -1.748 0.546) 1.922 11.270 ( 0.509 0.851 -0.330) 1.045 11.270 ( -0.509 0.851 0.330) 1.045 11.730 ( 0.123 1.569 -2.041) 2.577 11.730 ( -0.123 1.569 2.041) 2.577 11.773 ( 0.506 -2.148 -2.198) 3.114 11.773 ( -0.506 -2.148 2.198) 3.114 12.907 ( 0.267 0.388 -3.782) 3.811 12.907 ( -0.267 0.388 3.782) 3.811 12.955 ( 0.265 -0.879 -4.274) 4.371 12.955 ( -0.265 -0.879 4.274) 4.371 14.312 ( 0.022 0.358 -0.192) 0.407 14.312 ( -0.022 0.358 0.192) 0.407 14.611 ( 0.614 -0.708 -1.055) 1.411 14.611 ( -0.614 -0.708 1.055) 1.411 14.873 ( 0.506 0.049 -0.508) 0.719 14.873 ( -0.506 0.049 0.508) 0.719 15.027 ( -0.412 0.887 -0.143) 0.989 15.027 ( 0.412 0.887 0.143) 0.989 15.562 ( -0.042 -0.485 -0.429) 0.649 15.562 ( 0.042 -0.485 0.429) 0.649 15.768 ( -0.199 0.400 -0.337) 0.560 15.768 ( 0.199 0.400 0.337) 0.560 16.016 ( 0.441 0.616 -0.778) 1.086 16.016 ( -0.441 0.616 0.778) 1.086 16.172 ( -0.243 -1.148 -0.521) 1.284 16.172 ( 0.243 -1.148 0.521) 1.284 16.844 ( 0.205 -0.178 -0.512) 0.579 16.844 ( -0.205 -0.178 0.512) 0.579 17.121 ( 0.312 0.853 -1.054) 1.391 17.121 ( -0.312 0.853 1.054) 1.391 17.378 ( -0.373 0.087 -1.005) 1.075 17.378 ( 0.373 0.087 1.005) 1.075 17.560 ( -1.008 -0.534 0.117) 1.146 17.560 ( 1.008 -0.534 -0.117) 1.146 18.539 ( 0.286 0.087 -0.930) 0.977 18.539 ( -0.286 0.087 0.930) 0.977 18.649 ( 0.368 1.787 -2.237) 2.887 18.649 ( -0.368 1.787 2.237) 2.887 18.968 ( -1.476 1.665 -0.389) 2.259 18.968 ( 1.476 1.665 0.389) 2.259 19.052 ( -1.355 -1.399 -1.195) 2.285 19.052 ( 1.355 -1.399 1.195) 2.285 27.723 ( 0.163 0.249 -0.736) 0.794 27.723 ( -0.163 0.249 0.736) 0.794 27.818 ( -0.158 -1.184 -0.460) 1.281 27.818 ( 0.158 -1.184 0.460) 1.281 27.893 ( 0.223 -0.575 -0.610) 0.867 27.893 ( -0.223 -0.575 0.610) 0.867 28.015 ( -0.066 -0.440 -0.780) 0.898 28.015 ( 0.066 -0.440 0.780) 0.898 29.161 ( 0.189 3.981 -1.452) 4.242 29.161 ( -0.189 3.981 1.452) 4.242 29.523 ( -1.040 2.820 -2.213) 3.732 29.523 ( 1.040 2.820 2.213) 3.732 29.624 ( -0.795 0.995 -0.448) 1.350 29.624 ( 0.795 0.995 0.448) 1.350 29.720 ( -3.389 -0.048 -3.329) 4.750 29.720 ( 3.389 -0.048 3.329) 4.750 30.170 ( -0.347 0.334 -4.731) 4.756 30.170 ( 0.347 0.334 4.731) 4.756 30.329 ( 0.102 -3.259 -2.374) 4.034 30.329 ( -0.102 -3.259 2.374) 4.034 30.738 ( -3.935 2.729 -3.912) 6.183 30.738 ( 3.935 2.729 3.912) 6.183 30.990 ( -8.092 5.788 -6.031) 11.634 30.990 ( 8.092 5.788 6.031) 11.634 31.195 ( -5.037 -10.354 -6.790) 13.367 31.195 ( 5.037 -10.354 6.790) 13.367 32.125 ( -1.228 -0.507 -0.748) 1.524 32.125 ( 1.228 -0.507 0.748) 1.524 32.285 ( -2.905 0.555 0.058) 2.958 32.285 ( 2.905 0.555 -0.058) 2.958 32.493 ( -4.090 -1.180 -0.020) 4.257 32.493 ( 4.090 -1.180 0.020) 4.257 ======================= Grid point 113 (58/60) ======================= q-point: ( 0.17 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 4.553 12.448 6.367) 14.705 1.569 ( 7.114 -1.129 0.394) 7.214 1.673 ( 0.857 -0.876 -7.426) 7.527 1.685 ( 2.177 1.608 3.953) 4.791 1.822 ( 0.353 6.411 -5.192) 8.257 2.017 ( 4.486 -7.006 -5.597) 10.027 2.066 ( -0.750 -3.854 -11.101) 11.774 2.106 ( -0.451 -5.857 -2.973) 6.584 2.268 ( 0.231 1.141 -2.919) 3.143 2.353 ( 2.010 -3.958 -5.025) 6.704 2.461 ( 1.197 2.801 6.896) 7.538 2.483 ( 3.886 2.117 7.270) 8.511 2.562 ( -0.020 2.522 -0.344) 2.545 2.594 ( 2.459 0.482 -1.020) 2.705 2.661 ( -2.875 1.253 -0.489) 3.174 2.738 ( -2.081 -1.658 -0.850) 2.793 2.818 ( -3.735 0.500 2.006) 4.269 2.892 ( -1.342 -5.400 -1.517) 5.768 2.987 ( 2.208 1.268 1.024) 2.744 3.046 ( 1.001 -3.894 5.134) 6.521 3.275 ( -9.440 4.494 5.344) 11.742 3.348 ( -4.315 2.523 3.048) 5.855 3.411 ( -3.639 2.952 3.751) 6.002 3.462 ( -3.274 3.355 2.848) 5.485 3.500 ( -3.835 -3.506 0.868) 5.268 3.550 ( -1.194 1.496 1.271) 2.298 3.692 ( -1.267 -0.632 5.073) 5.267 3.703 ( -0.675 -2.676 0.508) 2.806 3.816 ( 1.562 4.766 -10.840) 11.944 3.886 ( -0.226 -0.737 -6.897) 6.940 4.032 ( 1.898 8.161 -2.192) 8.661 4.128 ( -2.644 5.226 -3.935) 7.056 4.200 ( 2.721 5.337 4.902) 7.741 4.216 ( 0.608 -1.735 3.842) 4.260 4.255 ( -2.315 0.634 -4.003) 4.667 4.360 ( 1.401 -0.765 5.147) 5.389 4.407 ( -1.165 2.170 0.231) 2.474 4.478 ( 4.156 1.444 -2.289) 4.960 4.490 ( -2.337 -3.527 2.180) 4.759 4.592 ( 2.811 -3.613 -1.684) 4.878 4.724 ( 1.111 5.697 -3.711) 6.889 4.813 ( 0.568 -1.313 1.871) 2.355 4.877 ( -0.291 4.962 -3.438) 6.044 4.970 ( 3.265 1.619 -3.070) 4.765 4.996 ( 2.872 -0.527 0.522) 2.966 5.040 ( 2.155 -2.953 -2.094) 4.213 5.161 ( -3.649 -2.540 6.795) 8.120 5.202 ( -3.121 -4.690 6.289) 8.443 5.284 ( -4.290 -0.301 2.496) 4.972 5.348 ( -4.028 -8.085 6.353) 11.044 5.427 ( 1.130 0.819 -3.569) 3.832 5.461 ( 0.685 -1.690 -4.706) 5.047 5.508 ( -1.341 -1.232 0.253) 1.839 5.538 ( -1.005 -5.083 -1.405) 5.369 6.150 ( -0.621 0.517 -0.737) 1.093 6.172 ( -1.676 -1.348 -1.842) 2.831 6.513 ( 2.947 2.311 0.977) 3.870 6.538 ( 1.899 0.063 0.892) 2.099 6.647 ( 3.448 4.179 -0.433) 5.435 6.719 ( 5.583 -2.181 -1.178) 6.108 7.169 ( 0.680 3.351 -1.784) 3.856 7.197 ( -0.541 3.807 1.261) 4.047 7.270 ( 3.505 -1.665 -2.404) 4.564 7.336 ( 3.647 -4.450 -0.056) 5.754 7.953 ( 1.859 1.992 0.856) 2.856 7.967 ( 2.318 0.911 0.307) 2.509 8.052 ( -0.988 -0.532 -0.704) 1.325 8.066 ( -0.330 -1.979 0.658) 2.112 8.740 ( -1.919 3.408 0.994) 4.035 8.787 ( -0.705 3.210 -1.096) 3.465 8.833 ( -2.191 -4.008 1.557) 4.826 8.881 ( -0.958 -4.343 -1.630) 4.737 9.517 ( -0.583 0.439 -1.957) 2.089 9.533 ( -1.076 -0.923 -1.364) 1.968 9.660 ( 0.452 1.560 0.880) 1.848 9.712 ( 0.926 -3.147 3.979) 5.157 10.783 ( 0.086 2.563 -0.024) 2.565 10.792 ( 0.391 2.143 0.470) 2.229 10.878 ( -1.091 -1.555 -0.549) 1.977 10.904 ( 0.141 -3.136 -0.266) 3.151 10.969 ( -1.427 -0.767 0.107) 1.624 10.994 ( -0.413 -2.761 0.846) 2.917 11.289 ( 2.274 1.680 0.048) 2.828 11.307 ( 2.822 0.170 -0.288) 2.842 11.720 ( -0.403 1.270 -0.136) 1.340 11.737 ( 0.075 1.438 -0.544) 1.539 11.757 ( -0.871 -1.780 0.951) 2.198 11.778 ( -0.185 -2.038 -1.528) 2.554 12.887 ( -1.170 1.121 0.859) 1.834 12.905 ( -0.764 -0.118 -0.331) 0.841 12.952 ( -0.214 -0.692 2.079) 2.202 12.958 ( 0.082 -0.877 -2.005) 2.190 14.318 ( 0.698 0.547 0.125) 0.895 14.323 ( 0.772 0.033 -0.166) 0.791 14.595 ( -1.038 0.171 0.375) 1.117 14.613 ( -0.519 -1.488 -1.582) 2.233 14.875 ( 0.859 0.769 -0.004) 1.153 14.892 ( 1.512 -0.811 -0.965) 1.969 15.034 ( 0.930 1.482 0.731) 1.896 15.048 ( 1.295 0.180 1.012) 1.653 15.533 ( -1.992 0.429 0.214) 2.049 15.553 ( -1.439 -1.460 -0.225) 2.062 15.771 ( 0.415 0.627 -0.470) 0.886 15.778 ( 0.596 -0.027 -0.051) 0.599 16.011 ( 0.403 1.352 1.037) 1.751 16.031 ( 0.883 -0.244 -0.071) 0.919 16.186 ( 1.482 -0.524 -0.661) 1.705 16.198 ( 1.819 -1.426 -0.091) 2.313 16.849 ( 0.829 0.081 0.869) 1.203 16.858 ( 1.058 -0.679 0.275) 1.287 17.133 ( 1.271 1.260 0.750) 1.941 17.141 ( 1.591 0.555 -1.317) 2.139 17.357 ( -1.358 0.589 -1.579) 2.164 17.373 ( -0.913 -0.785 -0.241) 1.228 17.511 ( -3.395 1.221 -0.068) 3.608 17.544 ( -2.450 -1.605 -0.005) 2.928 18.486 ( -3.201 0.340 -0.027) 3.219 18.495 ( -3.414 -0.499 -0.169) 3.455 18.678 ( 3.800 4.480 0.569) 5.902 18.743 ( 5.140 -0.983 -0.583) 5.266 18.925 ( -2.375 1.830 -0.984) 3.155 18.959 ( -2.551 -1.275 -1.398) 3.176 19.030 ( 0.155 1.866 1.463) 2.376 19.081 ( 0.587 -2.475 1.270) 2.843 27.721 ( -0.068 0.434 0.667) 0.799 27.727 ( 0.162 -0.072 -0.403) 0.440 27.818 ( 0.276 -0.776 -0.370) 0.903 27.828 ( 0.667 -1.522 0.133) 1.667 27.883 ( -0.717 -0.299 0.443) 0.895 27.891 ( -0.389 -0.912 -0.747) 1.241 28.010 ( -0.286 -0.273 -0.433) 0.586 28.013 ( -0.276 -0.572 0.981) 1.168 29.151 ( -0.882 4.089 1.769) 4.542 29.155 ( -0.647 3.756 -1.139) 3.978 29.475 ( -3.315 3.256 -2.696) 5.372 29.514 ( -3.242 -0.543 -0.255) 3.297 29.565 ( -2.818 4.440 -1.526) 5.476 29.619 ( -0.580 -0.433 -0.318) 0.791 29.667 ( -1.380 3.496 1.977) 4.247 29.756 ( -0.292 -4.002 4.311) 5.889 30.167 ( 0.507 1.173 2.905) 3.174 30.188 ( 1.232 -1.153 6.751) 6.958 30.324 ( 1.151 2.218 -1.447) 2.888 30.408 ( 3.326 -4.989 0.864) 6.058 30.642 ( -3.929 5.192 -5.584) 8.578 30.759 ( -2.217 -5.274 -1.792) 5.995 30.845 ( -5.085 7.924 -1.869) 9.599 31.047 ( -8.622 -10.055 -5.205) 14.231 31.146 ( 6.357 5.548 5.658) 10.158 31.285 ( 4.306 -7.190 4.726) 9.622 32.004 ( -9.303 -0.213 -2.986) 9.773 32.006 ( -9.217 -0.387 -2.507) 9.560 32.335 ( 7.111 2.344 3.431) 8.236 32.407 ( 8.894 -4.188 2.310) 10.098 32.541 ( 5.813 4.567 -1.526) 7.549 32.648 ( 8.161 -5.408 -3.540) 10.410 ======================= Grid point 114 (59/60) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 8.735 8.072 0.780) 11.920 1.646 ( 1.508 0.105 -4.696) 4.934 1.683 ( 0.864 -5.439 0.211) 5.511 1.724 ( 2.326 -5.685 -1.852) 6.416 1.777 ( -3.736 7.667 -5.201) 9.990 1.935 ( -8.065 -6.842 0.710) 10.600 2.100 ( -0.045 1.364 -5.342) 5.513 2.158 ( -0.496 -2.787 -3.878) 4.801 2.298 ( 3.135 3.849 1.948) 5.332 2.419 ( 3.819 -6.473 2.496) 7.919 2.508 ( 4.346 3.505 -2.250) 6.020 2.528 ( 3.417 0.329 -1.999) 3.973 2.575 ( -0.032 3.471 1.845) 3.931 2.631 ( 2.005 -1.693 -0.059) 2.625 2.671 ( 3.559 8.444 2.503) 9.499 2.724 ( 2.574 3.293 0.269) 4.188 2.760 ( -1.305 1.083 -4.401) 4.716 2.921 ( 0.544 -5.011 -0.579) 5.074 2.999 ( -2.468 1.849 4.285) 5.279 3.014 ( -0.730 -1.200 2.392) 2.773 3.139 ( -5.570 0.277 0.836) 5.639 3.201 ( -6.903 -5.824 3.609) 9.726 3.323 ( -8.096 2.372 2.243) 8.729 3.385 ( -4.340 -1.566 2.878) 5.438 3.495 ( -0.648 2.886 -1.130) 3.166 3.550 ( 2.193 1.564 2.773) 3.865 3.580 ( -1.142 0.357 4.558) 4.713 3.696 ( 2.928 0.042 -2.180) 3.650 3.891 ( -1.063 2.937 -2.755) 4.165 3.917 ( -0.287 1.937 -0.262) 1.976 4.043 ( -3.202 3.214 3.487) 5.722 4.095 ( -1.538 1.694 1.306) 2.634 4.146 ( 5.856 6.154 -9.395) 12.666 4.214 ( -0.734 2.927 -0.403) 3.044 4.272 ( -1.173 -6.810 1.104) 6.998 4.353 ( 1.756 -4.978 -5.958) 7.960 4.414 ( -2.322 2.042 4.687) 5.615 4.455 ( -1.151 -0.206 -0.615) 1.322 4.559 ( 3.178 6.237 -1.225) 7.107 4.613 ( 0.269 4.759 1.662) 5.048 4.782 ( 2.593 3.658 -1.938) 4.885 4.843 ( 0.646 0.155 2.285) 2.380 4.878 ( 1.665 2.977 -3.072) 4.591 4.942 ( -0.523 -0.039 -4.807) 4.836 5.029 ( -2.475 -0.370 -1.122) 2.742 5.075 ( -1.725 -2.337 7.118) 7.688 5.138 ( 0.374 -3.140 1.623) 3.555 5.173 ( -1.826 -9.557 4.942) 10.913 5.210 ( 1.195 4.270 2.435) 5.059 5.336 ( 2.565 -8.415 -0.200) 8.799 5.425 ( -1.609 -0.202 -0.472) 1.689 5.443 ( -1.272 -0.505 -0.150) 1.377 5.479 ( -1.514 -2.426 -0.914) 3.002 5.500 ( -2.526 -5.632 0.026) 6.172 6.110 ( -2.665 0.685 0.353) 2.774 6.122 ( -2.213 -0.502 -2.536) 3.403 6.614 ( 4.652 2.019 1.327) 5.242 6.631 ( 6.481 0.664 0.556) 6.538 6.700 ( 2.018 4.633 -1.477) 5.265 6.786 ( 1.073 -2.678 -1.017) 3.059 7.200 ( 1.671 6.356 -2.723) 7.114 7.210 ( 1.495 6.335 2.005) 6.811 7.343 ( 3.750 -5.449 -4.338) 7.910 7.388 ( 1.374 -6.853 2.076) 7.291 7.988 ( 0.838 1.946 2.042) 2.943 8.005 ( 0.599 1.345 -1.381) 2.018 8.030 ( -0.345 -1.231 -1.051) 1.655 8.056 ( -0.543 -2.785 1.168) 3.069 8.714 ( -0.567 2.899 0.370) 2.977 8.756 ( -1.900 2.437 -0.441) 3.122 8.797 ( -1.236 -3.315 1.103) 3.706 8.840 ( -2.582 -3.802 -0.819) 4.668 9.523 ( 1.188 0.230 -1.933) 2.280 9.533 ( 1.109 -0.659 -1.095) 1.692 9.667 ( -0.002 1.654 1.147) 2.013 9.708 ( -1.453 -2.152 3.154) 4.085 10.787 ( 0.335 2.110 -0.401) 2.174 10.797 ( -0.003 1.685 0.828) 1.878 10.866 ( 0.137 -0.317 -0.682) 0.764 10.906 ( -0.241 -2.011 -0.362) 2.058 10.941 ( -0.807 -1.363 0.231) 1.601 10.978 ( -1.195 -3.369 0.820) 3.668 11.345 ( 2.826 1.824 -0.134) 3.366 11.363 ( 2.347 0.254 0.166) 2.367 11.715 ( 0.003 0.827 -0.487) 0.960 11.730 ( -0.603 0.653 -0.218) 0.915 11.744 ( -0.300 -1.015 0.073) 1.061 11.764 ( -0.959 -1.538 -0.807) 1.984 12.869 ( -0.593 1.218 0.475) 1.436 12.883 ( -1.162 0.189 -0.059) 1.178 12.951 ( -0.054 -0.576 2.192) 2.267 12.956 ( -0.075 -0.813 -2.010) 2.170 14.336 ( 0.921 0.382 0.238) 1.025 14.339 ( 0.743 0.069 -0.335) 0.818 14.573 ( -0.987 0.228 0.545) 1.150 14.589 ( -1.477 -1.166 -1.277) 2.274 14.906 ( 1.936 0.652 -0.398) 2.081 14.925 ( 1.469 -1.041 -1.161) 2.143 15.056 ( 1.052 1.301 0.700) 1.814 15.070 ( 0.651 0.034 1.194) 1.360 15.497 ( -1.299 0.477 0.257) 1.407 15.516 ( -1.891 -1.311 -0.261) 2.316 15.778 ( 0.303 0.357 -0.241) 0.527 15.785 ( 0.101 -0.313 -0.205) 0.388 16.033 ( 1.436 1.388 0.868) 2.178 16.050 ( 0.864 -0.029 -0.053) 0.866 16.216 ( 1.332 -0.360 -0.375) 1.429 16.228 ( 0.983 -1.314 -0.107) 1.645 16.874 ( 1.338 -0.169 0.793) 1.564 16.882 ( 1.075 -0.832 0.311) 1.395 17.165 ( 1.611 1.391 0.405) 2.167 17.173 ( 1.393 0.739 -1.288) 2.036 17.333 ( -0.634 0.392 -1.412) 1.597 17.348 ( -1.225 -1.027 -0.667) 1.732 17.445 ( -2.661 1.524 0.089) 3.068 17.477 ( -3.665 -1.254 0.454) 3.900 18.429 ( -1.815 0.568 -0.439) 1.952 18.443 ( -1.955 -0.813 0.075) 2.119 18.752 ( 3.104 4.060 1.178) 5.245 18.828 ( 2.555 -2.441 1.554) 3.861 18.876 ( -2.134 2.334 -1.739) 3.609 18.908 ( -1.419 -0.570 -3.050) 3.412 19.040 ( 0.590 0.697 0.995) 1.351 19.079 ( -0.806 -2.331 1.484) 2.879 27.722 ( 0.155 0.353 0.658) 0.763 27.728 ( 0.007 -0.162 -0.444) 0.472 27.828 ( 0.708 -0.586 -0.320) 0.973 27.843 ( 0.737 -1.888 0.161) 2.033 27.867 ( -0.875 0.001 0.327) 0.934 27.878 ( -0.714 -1.050 -0.642) 1.423 28.004 ( -0.228 -0.291 -0.389) 0.537 28.007 ( -0.382 -0.543 0.925) 1.139 29.134 ( -0.744 3.921 2.009) 4.467 29.138 ( -0.736 3.626 -1.310) 3.925 29.404 ( -3.032 2.009 -2.117) 4.208 29.418 ( -4.247 0.512 -0.601) 4.319 29.553 ( 0.599 4.464 0.349) 4.518 29.607 ( -1.001 1.628 0.703) 2.037 29.657 ( 0.532 0.849 0.594) 1.165 29.732 ( -2.021 -3.862 2.468) 5.009 30.195 ( 1.791 1.418 3.636) 4.294 30.227 ( 1.831 -1.270 5.312) 5.760 30.326 ( -0.771 3.919 -2.497) 4.711 30.413 ( -2.788 -3.238 0.225) 4.279 30.616 ( 1.729 3.483 -3.865) 5.482 30.717 ( -0.320 -5.619 -2.585) 6.193 30.756 ( -4.359 4.067 2.144) 6.336 30.875 ( -7.548 -6.807 -2.741) 10.527 31.265 ( 5.217 5.134 5.007) 8.869 31.362 ( 2.169 -3.567 0.959) 4.283 31.823 ( -6.125 -0.063 -4.723) 7.735 31.852 ( -6.118 -2.455 -1.759) 6.822 32.497 ( 7.395 3.276 4.397) 9.206 32.580 ( 5.875 -2.912 2.541) 7.032 32.648 ( 5.244 2.670 -0.841) 5.944 32.758 ( 2.818 -6.232 -5.213) 8.600 ======================= Grid point 115 (60/60) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 1.053 1.591 -5.767) 6.074 1.650 ( -1.053 1.591 5.767) 6.074 1.706 ( -1.011 -0.049 -6.695) 6.771 1.706 ( 1.011 -0.049 6.695) 6.771 1.806 ( 0.791 -4.766 -2.181) 5.300 1.806 ( -0.791 -4.766 2.181) 5.300 2.060 ( -1.465 -0.510 -0.695) 1.700 2.060 ( 1.465 -0.510 0.695) 1.700 2.440 ( -2.773 4.007 -2.191) 5.343 2.440 ( 2.773 4.007 2.191) 5.343 2.556 ( 1.648 1.466 -3.006) 3.729 2.556 ( -1.648 1.466 3.006) 3.729 2.622 ( 0.859 0.039 -3.111) 3.228 2.622 ( -0.859 0.039 3.111) 3.228 2.731 ( 0.424 -0.021 -2.058) 2.101 2.731 ( -0.424 -0.021 2.058) 2.101 2.852 ( -1.994 3.541 -2.396) 4.718 2.852 ( 1.994 3.541 2.396) 4.718 3.003 ( -1.670 1.845 -1.287) 2.802 3.003 ( 1.670 1.845 1.287) 2.802 3.077 ( -3.120 -0.643 -2.294) 3.926 3.077 ( 3.120 -0.643 2.294) 3.926 3.278 ( 0.349 -8.570 -3.030) 9.096 3.278 ( -0.349 -8.570 3.030) 9.096 3.499 ( -3.457 5.422 -0.914) 6.495 3.499 ( 3.457 5.422 0.914) 6.495 3.739 ( -8.071 0.910 -0.931) 8.175 3.739 ( 8.071 0.910 0.931) 8.175 3.833 ( -1.815 8.730 -2.673) 9.309 3.833 ( 1.815 8.730 2.673) 9.309 4.051 ( -2.610 -8.094 -1.105) 8.576 4.051 ( 2.610 -8.094 1.105) 8.576 4.231 ( -1.175 3.169 -5.016) 6.048 4.231 ( 1.175 3.169 5.016) 6.048 4.302 ( 5.372 0.611 -2.796) 6.087 4.302 ( -5.372 0.611 2.796) 6.087 4.411 ( -1.409 -2.550 -3.794) 4.784 4.411 ( 1.409 -2.550 3.795) 4.784 4.607 ( 0.619 7.224 -6.099) 9.475 4.607 ( -0.619 7.224 6.099) 9.475 4.823 ( -1.621 2.108 -0.464) 2.700 4.823 ( 1.621 2.108 0.464) 2.700 4.933 ( 2.927 4.366 -6.221) 8.144 4.933 ( -2.927 4.366 6.221) 8.144 5.010 ( 4.081 -2.614 -9.950) 11.068 5.010 ( -4.081 -2.614 9.950) 11.068 5.131 ( 0.277 -6.290 -1.409) 6.452 5.131 ( -0.277 -6.290 1.409) 6.452 5.326 ( -4.269 -0.426 -3.564) 5.577 5.326 ( 4.269 -0.426 3.564) 5.577 5.421 ( -3.357 -5.177 -3.583) 7.135 5.421 ( 3.357 -5.177 3.583) 7.135 5.457 ( -0.815 -2.684 -4.150) 5.009 5.457 ( 0.815 -2.684 4.150) 5.009 6.088 ( -0.281 -0.125 -2.021) 2.045 6.088 ( 0.281 -0.125 2.021) 2.045 6.682 ( -0.388 3.986 -3.698) 5.451 6.682 ( 0.388 3.986 3.698) 5.451 6.761 ( -0.991 -1.078 -4.264) 4.509 6.761 ( 0.991 -1.078 4.264) 4.509 7.223 ( 0.313 7.594 -3.915) 8.550 7.223 ( -0.313 7.594 3.915) 8.550 7.394 ( 0.916 -7.589 -7.114) 10.442 7.394 ( -0.916 -7.589 7.114) 10.442 7.993 ( -0.156 1.295 -2.377) 2.711 7.993 ( 0.156 1.295 2.377) 2.711 8.046 ( 0.882 -2.018 -1.487) 2.657 8.046 ( -0.882 -2.018 1.487) 2.657 8.722 ( -0.755 2.748 -0.589) 2.910 8.722 ( 0.755 2.748 0.589) 2.910 8.797 ( -1.170 -3.621 -0.785) 3.885 8.797 ( 1.170 -3.621 0.785) 3.885 9.545 ( 0.423 0.036 -0.702) 0.821 9.545 ( -0.423 0.036 0.702) 0.821 9.676 ( 1.300 -0.278 -1.141) 1.752 9.676 ( -1.300 -0.278 1.141) 1.752 10.794 ( 0.338 1.502 -0.751) 1.713 10.794 ( -0.338 1.502 0.751) 1.713 10.883 ( -0.253 0.444 -0.399) 0.648 10.883 ( 0.253 0.444 0.399) 0.648 10.952 ( 0.139 -3.491 -1.402) 3.765 10.952 ( -0.139 -3.491 1.402) 3.765 11.383 ( 0.152 1.111 -0.557) 1.252 11.383 ( -0.152 1.111 0.557) 1.252 11.719 ( 0.134 0.477 -2.576) 2.623 11.719 ( -0.134 0.477 2.576) 2.623 11.747 ( 0.111 -1.037 -2.975) 3.153 11.747 ( -0.111 -1.037 2.975) 3.153 12.867 ( 0.065 0.763 -2.648) 2.757 12.867 ( -0.065 0.763 2.648) 2.757 12.953 ( 0.064 -0.658 -3.648) 3.708 12.953 ( -0.064 -0.658 3.648) 3.708 14.347 ( -0.025 0.223 -0.528) 0.574 14.347 ( 0.025 0.223 0.528) 0.574 14.566 ( -0.371 -0.378 -1.019) 1.148 14.566 ( 0.371 -0.378 1.019) 1.148 14.935 ( -0.578 -0.219 -0.269) 0.674 14.935 ( 0.578 -0.219 0.269) 0.674 15.072 ( 0.452 0.525 -0.384) 0.792 15.072 ( -0.452 0.525 0.384) 0.792 15.489 ( -0.563 -0.323 -0.270) 0.702 15.489 ( 0.563 -0.323 0.270) 0.702 15.783 ( -0.203 -0.118 -0.038) 0.238 15.783 ( 0.203 -0.118 0.038) 0.238 16.056 ( -0.382 0.813 -0.552) 1.054 16.056 ( 0.382 0.813 0.552) 1.054 16.234 ( -0.369 -0.824 0.045) 0.904 16.234 ( 0.369 -0.824 -0.045) 0.904 16.892 ( -0.053 -0.586 -0.836) 1.022 16.892 ( 0.053 -0.586 0.836) 1.022 17.185 ( -0.174 1.185 -0.685) 1.380 17.185 ( 0.174 1.185 0.685) 1.380 17.332 ( 0.252 -0.234 -0.602) 0.693 17.332 ( -0.252 -0.234 0.602) 0.693 17.424 ( -0.194 -0.003 -0.172) 0.259 17.424 ( 0.194 -0.003 0.172) 0.259 18.417 ( 0.528 -0.116 -0.462) 0.711 18.417 ( -0.528 -0.116 0.462) 0.711 18.806 ( -2.423 1.089 -1.000) 2.839 18.806 ( 2.423 1.089 1.000) 2.839 18.887 ( -1.152 0.722 -2.468) 2.818 18.887 ( 1.152 0.722 2.468) 2.818 19.058 ( 0.627 -1.339 -0.875) 1.718 19.058 ( -0.627 -1.339 0.875) 1.718 27.726 ( -0.131 0.076 -0.696) 0.713 27.726 ( 0.131 0.076 0.696) 0.713 27.844 ( -0.047 -1.084 -0.852) 1.379 27.844 ( 0.047 -1.084 0.852) 1.379 27.863 ( -0.618 -0.690 -0.466) 1.037 27.863 ( 0.618 -0.690 0.466) 1.037 28.002 ( 0.092 -0.426 -0.663) 0.793 28.002 ( -0.092 -0.426 0.663) 0.793 29.129 ( -0.060 3.701 -1.738) 4.089 29.129 ( 0.060 3.701 1.738) 4.089 29.371 ( 0.239 1.101 -1.004) 1.509 29.371 ( -0.239 1.101 1.004) 1.509 29.578 ( -0.224 4.195 -0.878) 4.291 29.578 ( 0.224 4.195 0.878) 4.291 29.688 ( 1.277 -2.505 -0.758) 2.913 29.688 ( -1.277 -2.505 0.758) 2.913 30.235 ( -1.125 1.646 -1.207) 2.330 30.235 ( 1.125 1.646 1.207) 2.330 30.342 ( -1.579 -1.138 -2.247) 2.973 30.342 ( 1.579 -1.138 2.247) 2.973 30.674 ( 3.179 2.464 -3.308) 5.207 30.674 ( -3.179 2.464 3.308) 5.207 30.755 ( -4.014 -4.607 -0.580) 6.138 30.755 ( 4.014 -4.607 0.580) 6.138 31.353 ( -2.809 1.790 -2.766) 4.330 31.353 ( 2.809 1.790 2.766) 4.330 31.774 ( 1.238 -2.451 -1.598) 3.177 31.774 ( -1.238 -2.451 1.598) 3.177 32.604 ( -1.222 3.334 -6.519) 7.424 32.604 ( 1.222 3.334 6.519) 7.424 32.749 ( -2.782 -4.892 -5.515) 7.880 32.749 ( 2.782 -4.892 5.515) 7.880 =================== 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 3/28080 10.0 143.230 119.453 157.305 0.000 -21.817 0.000 3/28080 20.0 29.066 29.628 29.360 0.000 -3.733 0.000 3/28080 30.0 12.796 13.192 13.274 0.000 -1.760 0.000 3/28080 40.0 7.720 7.870 8.169 0.000 -1.136 0.000 3/28080 50.0 5.453 5.518 5.863 0.000 -0.839 0.000 3/28080 60.0 4.207 4.244 4.583 0.000 -0.666 0.000 3/28080 70.0 3.427 3.455 3.771 0.000 -0.551 0.000 3/28080 80.0 2.893 2.919 3.209 0.000 -0.470 0.000 3/28080 90.0 2.504 2.530 2.795 0.000 -0.410 0.000 3/28080 100.0 2.209 2.234 2.478 0.000 -0.363 0.000 3/28080 110.0 1.977 2.002 2.226 0.000 -0.325 0.000 3/28080 120.0 1.790 1.814 2.021 0.000 -0.295 0.000 3/28080 130.0 1.636 1.659 1.852 0.000 -0.270 0.000 3/28080 140.0 1.506 1.529 1.709 0.000 -0.248 0.000 3/28080 150.0 1.396 1.418 1.587 0.000 -0.230 0.000 3/28080 160.0 1.301 1.323 1.481 0.000 -0.214 0.000 3/28080 170.0 1.219 1.240 1.389 0.000 -0.201 0.000 3/28080 180.0 1.147 1.167 1.308 0.000 -0.188 0.000 3/28080 190.0 1.083 1.102 1.237 0.000 -0.178 0.000 3/28080 200.0 1.026 1.045 1.173 0.000 -0.168 0.000 3/28080 210.0 0.976 0.993 1.115 0.000 -0.159 0.000 3/28080 220.0 0.930 0.947 1.063 0.000 -0.151 0.000 3/28080 230.0 0.889 0.905 1.016 0.000 -0.144 0.000 3/28080 240.0 0.851 0.866 0.974 0.000 -0.138 0.000 3/28080 250.0 0.817 0.831 0.934 0.000 -0.132 0.000 3/28080 260.0 0.786 0.799 0.898 0.000 -0.126 0.000 3/28080 270.0 0.757 0.770 0.865 0.000 -0.121 0.000 3/28080 280.0 0.730 0.742 0.834 0.000 -0.116 0.000 3/28080 290.0 0.706 0.717 0.806 0.000 -0.112 0.000 3/28080 300.0 0.683 0.694 0.780 0.000 -0.108 0.000 3/28080 310.0 0.662 0.672 0.755 0.000 -0.104 0.000 3/28080 320.0 0.642 0.651 0.732 0.000 -0.100 0.000 3/28080 330.0 0.623 0.632 0.710 0.000 -0.097 0.000 3/28080 340.0 0.606 0.614 0.690 0.000 -0.094 0.000 3/28080 350.0 0.590 0.597 0.671 0.000 -0.091 0.000 3/28080 360.0 0.574 0.581 0.653 0.000 -0.088 0.000 3/28080 370.0 0.560 0.566 0.636 0.000 -0.085 0.000 3/28080 380.0 0.546 0.552 0.619 0.000 -0.083 0.000 3/28080 390.0 0.533 0.538 0.604 0.000 -0.080 0.000 3/28080 400.0 0.520 0.525 0.590 0.000 -0.078 0.000 3/28080 410.0 0.508 0.513 0.576 0.000 -0.076 0.000 3/28080 420.0 0.497 0.501 0.563 0.000 -0.074 0.000 3/28080 430.0 0.486 0.490 0.550 0.000 -0.072 0.000 3/28080 440.0 0.476 0.480 0.538 0.000 -0.070 0.000 3/28080 450.0 0.466 0.470 0.527 0.000 -0.069 0.000 3/28080 460.0 0.457 0.460 0.516 0.000 -0.067 0.000 3/28080 470.0 0.448 0.451 0.505 0.000 -0.065 0.000 3/28080 480.0 0.439 0.442 0.495 0.000 -0.064 0.000 3/28080 490.0 0.431 0.433 0.485 0.000 -0.062 0.000 3/28080 500.0 0.423 0.425 0.476 0.000 -0.061 0.000 3/28080 510.0 0.416 0.417 0.467 0.000 -0.060 0.000 3/28080 520.0 0.408 0.409 0.459 0.000 -0.058 0.000 3/28080 530.0 0.401 0.402 0.450 0.000 -0.057 0.000 3/28080 540.0 0.394 0.395 0.442 0.000 -0.056 0.000 3/28080 550.0 0.388 0.388 0.435 0.000 -0.055 0.000 3/28080 560.0 0.381 0.381 0.427 0.000 -0.054 0.000 3/28080 570.0 0.375 0.375 0.420 0.000 -0.053 0.000 3/28080 580.0 0.369 0.369 0.413 0.000 -0.052 0.000 3/28080 590.0 0.363 0.363 0.406 0.000 -0.051 0.000 3/28080 600.0 0.358 0.357 0.400 0.000 -0.050 0.000 3/28080 610.0 0.352 0.352 0.394 0.000 -0.049 0.000 3/28080 620.0 0.347 0.346 0.387 0.000 -0.048 0.000 3/28080 630.0 0.342 0.341 0.382 0.000 -0.047 0.000 3/28080 640.0 0.337 0.336 0.376 0.000 -0.046 0.000 3/28080 650.0 0.332 0.331 0.370 0.000 -0.046 0.000 3/28080 660.0 0.327 0.326 0.365 0.000 -0.045 0.000 3/28080 670.0 0.323 0.321 0.360 0.000 -0.044 0.000 3/28080 680.0 0.318 0.317 0.355 0.000 -0.043 0.000 3/28080 690.0 0.314 0.313 0.350 0.000 -0.043 0.000 3/28080 700.0 0.310 0.308 0.345 0.000 -0.042 0.000 3/28080 710.0 0.306 0.304 0.340 0.000 -0.041 0.000 3/28080 720.0 0.302 0.300 0.336 0.000 -0.041 0.000 3/28080 730.0 0.298 0.296 0.331 0.000 -0.040 0.000 3/28080 740.0 0.294 0.292 0.327 0.000 -0.040 0.000 3/28080 750.0 0.290 0.288 0.323 0.000 -0.039 0.000 3/28080 760.0 0.287 0.285 0.318 0.000 -0.038 0.000 3/28080 770.0 0.283 0.281 0.314 0.000 -0.038 0.000 3/28080 780.0 0.280 0.278 0.311 0.000 -0.037 0.000 3/28080 790.0 0.276 0.274 0.307 0.000 -0.037 0.000 3/28080 800.0 0.273 0.271 0.303 0.000 -0.036 0.000 3/28080 810.0 0.270 0.268 0.299 0.000 -0.036 0.000 3/28080 820.0 0.267 0.265 0.296 0.000 -0.035 0.000 3/28080 830.0 0.264 0.262 0.292 0.000 -0.035 0.000 3/28080 840.0 0.261 0.259 0.289 0.000 -0.034 0.000 3/28080 850.0 0.258 0.256 0.286 0.000 -0.034 0.000 3/28080 860.0 0.255 0.253 0.283 0.000 -0.034 0.000 3/28080 870.0 0.252 0.250 0.279 0.000 -0.033 0.000 3/28080 880.0 0.249 0.247 0.276 0.000 -0.033 0.000 3/28080 890.0 0.247 0.245 0.273 0.000 -0.032 0.000 3/28080 900.0 0.244 0.242 0.270 0.000 -0.032 0.000 3/28080 910.0 0.242 0.239 0.267 0.000 -0.032 0.000 3/28080 920.0 0.239 0.237 0.265 0.000 -0.031 0.000 3/28080 930.0 0.237 0.234 0.262 0.000 -0.031 0.000 3/28080 940.0 0.234 0.232 0.259 0.000 -0.031 0.000 3/28080 950.0 0.232 0.230 0.256 0.000 -0.030 0.000 3/28080 960.0 0.230 0.227 0.254 0.000 -0.030 0.000 3/28080 970.0 0.227 0.225 0.251 0.000 -0.030 0.000 3/28080 980.0 0.225 0.223 0.249 0.000 -0.029 0.000 3/28080 990.0 0.223 0.221 0.246 0.000 -0.029 0.000 3/28080 1000.0 0.221 0.218 0.244 0.000 -0.029 0.000 3/28080 Thermal conductivity related properties were written into "kappa-m656.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:38:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|