----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:47:48]------------------------- 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 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.681224520291386 0.000000000000000 0.000000000000000 b 0.000000000000000 7.438054810000000 0.000000000000000 c -5.280672703358139 0.000000000000000 8.009705817238958 Atomic positions (fractional): *1 Na 0.59845684886592 0.78076054686105 0.72353068800928 22.990 2 Na 0.40154315113408 0.28076054686105 0.77646931199072 22.990 3 Na 0.40154315113408 0.21923945313895 0.27646931199072 22.990 4 Na 0.59845684886592 0.71923945313895 0.22353068800928 22.990 *5 Na 0.20801722132251 0.52669495402951 0.45534419524323 22.990 6 Na 0.79198277867749 0.02669495402951 0.04465580475677 22.990 7 Na 0.79198277867749 0.47330504597049 0.54465580475677 22.990 8 Na 0.20801722132251 0.97330504597049 0.95534419524323 22.990 *9 Na 0.04810651422282 0.14988960028160 0.42950128176243 22.990 10 Na 0.95189348577718 0.64988960028160 0.07049871823757 22.990 11 Na 0.95189348577718 0.85011039971840 0.57049871823757 22.990 12 Na 0.04810651422282 0.35011039971840 0.92950128176243 22.990 *13 B 0.27879516813816 0.83892688118936 0.34638707804071 10.811 14 B 0.72120483186184 0.33892688118936 0.15361292195929 10.811 15 B 0.72120483186184 0.16107311881064 0.65361292195929 10.811 16 B 0.27879516813816 0.66107311881064 0.84638707804071 10.811 *17 O 0.05851632357768 0.85171571655568 0.37088374644028 15.999 18 O 0.94148367642232 0.35171571655568 0.12911625355972 15.999 19 O 0.94148367642232 0.14828428344432 0.62911625355972 15.999 20 O 0.05851632357768 0.64828428344432 0.87088374644028 15.999 *21 O 0.51462289509643 0.73319631942316 0.45301482092737 15.999 22 O 0.48537710490357 0.23319631942316 0.04698517907263 15.999 23 O 0.48537710490357 0.26680368057684 0.54698517907263 15.999 24 O 0.51462289509643 0.76680368057684 0.95301482092737 15.999 *25 O 0.25063305720640 0.91631021995639 0.20563727455609 15.999 26 O 0.74936694279360 0.41631021995640 0.29436272544391 15.999 27 O 0.74936694279360 0.08368978004360 0.79436272544391 15.999 28 O 0.25063305720640 0.58368978004361 0.70563727455609 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.681224520291386 0.000000000000000 0.000000000000000 b 0.000000000000000 7.438054810000000 0.000000000000000 c -5.280672703358139 0.000000000000000 8.009705817238958 Atomic positions (fractional): *1 Na 0.59845684886592 0.78076054686105 0.72353068800928 22.990 > 1 2 Na 0.40154315113408 0.28076054686105 0.77646931199072 22.990 > 2 3 Na 0.40154315113408 0.21923945313895 0.27646931199072 22.990 > 3 4 Na 0.59845684886592 0.71923945313895 0.22353068800928 22.990 > 4 *5 Na 0.20801722132251 0.52669495402951 0.45534419524323 22.990 > 5 6 Na 0.79198277867749 0.02669495402951 0.04465580475677 22.990 > 6 7 Na 0.79198277867749 0.47330504597049 0.54465580475677 22.990 > 7 8 Na 0.20801722132251 0.97330504597049 0.95534419524323 22.990 > 8 *9 Na 0.04810651422282 0.14988960028160 0.42950128176243 22.990 > 9 10 Na 0.95189348577718 0.64988960028160 0.07049871823757 22.990 > 10 11 Na 0.95189348577718 0.85011039971840 0.57049871823757 22.990 > 11 12 Na 0.04810651422282 0.35011039971840 0.92950128176243 22.990 > 12 *13 B 0.27879516813816 0.83892688118936 0.34638707804071 10.811 > 13 14 B 0.72120483186184 0.33892688118936 0.15361292195929 10.811 > 14 15 B 0.72120483186184 0.16107311881064 0.65361292195929 10.811 > 15 16 B 0.27879516813816 0.66107311881064 0.84638707804071 10.811 > 16 *17 O 0.05851632357768 0.85171571655568 0.37088374644028 15.999 > 17 18 O 0.94148367642232 0.35171571655568 0.12911625355972 15.999 > 18 19 O 0.94148367642232 0.14828428344432 0.62911625355972 15.999 > 19 20 O 0.05851632357768 0.64828428344432 0.87088374644028 15.999 > 20 *21 O 0.51462289509643 0.73319631942316 0.45301482092737 15.999 > 21 22 O 0.48537710490357 0.23319631942316 0.04698517907263 15.999 > 22 23 O 0.48537710490357 0.26680368057684 0.54698517907263 15.999 > 23 24 O 0.51462289509643 0.76680368057684 0.95301482092737 15.999 > 24 *25 O 0.25063305720640 0.91631021995639 0.20563727455609 15.999 > 25 26 O 0.74936694279360 0.41631021995640 0.29436272544391 15.999 > 26 27 O 0.74936694279360 0.08368978004360 0.79436272544391 15.999 > 27 28 O 0.25063305720640 0.58368978004361 0.70563727455609 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.362449040582772 0.000000000000000 0.000000000000000 b 0.000000000000000 14.876109619999999 0.000000000000000 c -5.280672703358139 0.000000000000000 8.009705817238958 Atomic positions (fractional): *1 Na 0.29922842443296 0.39038027343052 0.72353068800928 22.990 > 1 2 Na 0.79922842443296 0.39038027343052 0.72353068800928 22.990 > 1 3 Na 0.29922842443296 0.89038027343052 0.72353068800928 22.990 > 1 4 Na 0.79922842443296 0.89038027343052 0.72353068800928 22.990 > 1 5 Na 0.20077157556704 0.14038027343052 0.77646931199072 22.990 > 2 6 Na 0.70077157556704 0.14038027343052 0.77646931199072 22.990 > 2 7 Na 0.20077157556704 0.64038027343052 0.77646931199072 22.990 > 2 8 Na 0.70077157556704 0.64038027343052 0.77646931199072 22.990 > 2 9 Na 0.20077157556704 0.10961972656948 0.27646931199072 22.990 > 3 10 Na 0.70077157556704 0.10961972656948 0.27646931199072 22.990 > 3 11 Na 0.20077157556704 0.60961972656948 0.27646931199072 22.990 > 3 12 Na 0.70077157556704 0.60961972656948 0.27646931199072 22.990 > 3 13 Na 0.29922842443296 0.35961972656948 0.22353068800928 22.990 > 4 14 Na 0.79922842443296 0.35961972656948 0.22353068800928 22.990 > 4 15 Na 0.29922842443296 0.85961972656948 0.22353068800928 22.990 > 4 16 Na 0.79922842443296 0.85961972656948 0.22353068800928 22.990 > 4 *17 Na 0.10400861066126 0.26334747701476 0.45534419524323 22.990 > 5 18 Na 0.60400861066126 0.26334747701476 0.45534419524323 22.990 > 5 19 Na 0.10400861066126 0.76334747701476 0.45534419524323 22.990 > 5 20 Na 0.60400861066126 0.76334747701476 0.45534419524323 22.990 > 5 21 Na 0.39599138933874 0.01334747701476 0.04465580475677 22.990 > 6 22 Na 0.89599138933874 0.01334747701476 0.04465580475677 22.990 > 6 23 Na 0.39599138933874 0.51334747701476 0.04465580475677 22.990 > 6 24 Na 0.89599138933874 0.51334747701476 0.04465580475677 22.990 > 6 25 Na 0.39599138933874 0.23665252298524 0.54465580475677 22.990 > 7 26 Na 0.89599138933874 0.23665252298524 0.54465580475677 22.990 > 7 27 Na 0.39599138933874 0.73665252298524 0.54465580475677 22.990 > 7 28 Na 0.89599138933874 0.73665252298524 0.54465580475677 22.990 > 7 29 Na 0.10400861066126 0.48665252298524 0.95534419524323 22.990 > 8 30 Na 0.60400861066126 0.48665252298524 0.95534419524323 22.990 > 8 31 Na 0.10400861066126 0.98665252298524 0.95534419524323 22.990 > 8 32 Na 0.60400861066126 0.98665252298524 0.95534419524323 22.990 > 8 *33 Na 0.02405325711141 0.07494480014080 0.42950128176243 22.990 > 9 34 Na 0.52405325711141 0.07494480014080 0.42950128176243 22.990 > 9 35 Na 0.02405325711141 0.57494480014080 0.42950128176243 22.990 > 9 36 Na 0.52405325711141 0.57494480014080 0.42950128176243 22.990 > 9 37 Na 0.47594674288859 0.32494480014080 0.07049871823757 22.990 > 10 38 Na 0.97594674288859 0.32494480014080 0.07049871823757 22.990 > 10 39 Na 0.47594674288859 0.82494480014080 0.07049871823757 22.990 > 10 40 Na 0.97594674288859 0.82494480014080 0.07049871823757 22.990 > 10 41 Na 0.47594674288859 0.42505519985920 0.57049871823757 22.990 > 11 42 Na 0.97594674288859 0.42505519985920 0.57049871823757 22.990 > 11 43 Na 0.47594674288859 0.92505519985920 0.57049871823757 22.990 > 11 44 Na 0.97594674288859 0.92505519985920 0.57049871823757 22.990 > 11 45 Na 0.02405325711141 0.17505519985920 0.92950128176243 22.990 > 12 46 Na 0.52405325711141 0.17505519985920 0.92950128176243 22.990 > 12 47 Na 0.02405325711141 0.67505519985920 0.92950128176243 22.990 > 12 48 Na 0.52405325711141 0.67505519985920 0.92950128176243 22.990 > 12 *49 B 0.13939758406908 0.41946344059468 0.34638707804071 10.811 > 13 50 B 0.63939758406908 0.41946344059468 0.34638707804071 10.811 > 13 51 B 0.13939758406908 0.91946344059468 0.34638707804071 10.811 > 13 52 B 0.63939758406908 0.91946344059468 0.34638707804071 10.811 > 13 53 B 0.36060241593092 0.16946344059468 0.15361292195929 10.811 > 14 54 B 0.86060241593092 0.16946344059468 0.15361292195929 10.811 > 14 55 B 0.36060241593092 0.66946344059468 0.15361292195929 10.811 > 14 56 B 0.86060241593092 0.66946344059468 0.15361292195929 10.811 > 14 57 B 0.36060241593092 0.08053655940532 0.65361292195929 10.811 > 15 58 B 0.86060241593092 0.08053655940532 0.65361292195929 10.811 > 15 59 B 0.36060241593092 0.58053655940532 0.65361292195929 10.811 > 15 60 B 0.86060241593092 0.58053655940532 0.65361292195929 10.811 > 15 61 B 0.13939758406908 0.33053655940532 0.84638707804071 10.811 > 16 62 B 0.63939758406908 0.33053655940532 0.84638707804071 10.811 > 16 63 B 0.13939758406908 0.83053655940532 0.84638707804071 10.811 > 16 64 B 0.63939758406908 0.83053655940532 0.84638707804071 10.811 > 16 *65 O 0.02925816178884 0.42585785827784 0.37088374644028 15.999 > 17 66 O 0.52925816178884 0.42585785827784 0.37088374644028 15.999 > 17 67 O 0.02925816178884 0.92585785827784 0.37088374644028 15.999 > 17 68 O 0.52925816178884 0.92585785827784 0.37088374644028 15.999 > 17 69 O 0.47074183821116 0.17585785827784 0.12911625355972 15.999 > 18 70 O 0.97074183821116 0.17585785827784 0.12911625355972 15.999 > 18 71 O 0.47074183821116 0.67585785827784 0.12911625355972 15.999 > 18 72 O 0.97074183821116 0.67585785827784 0.12911625355972 15.999 > 18 73 O 0.47074183821116 0.07414214172216 0.62911625355972 15.999 > 19 74 O 0.97074183821116 0.07414214172216 0.62911625355972 15.999 > 19 75 O 0.47074183821116 0.57414214172216 0.62911625355972 15.999 > 19 76 O 0.97074183821116 0.57414214172216 0.62911625355972 15.999 > 19 77 O 0.02925816178884 0.32414214172216 0.87088374644028 15.999 > 20 78 O 0.52925816178884 0.32414214172216 0.87088374644028 15.999 > 20 79 O 0.02925816178884 0.82414214172216 0.87088374644028 15.999 > 20 80 O 0.52925816178884 0.82414214172216 0.87088374644028 15.999 > 20 *81 O 0.25731144754821 0.36659815971158 0.45301482092737 15.999 > 21 82 O 0.75731144754821 0.36659815971158 0.45301482092737 15.999 > 21 83 O 0.25731144754821 0.86659815971158 0.45301482092737 15.999 > 21 84 O 0.75731144754821 0.86659815971158 0.45301482092737 15.999 > 21 85 O 0.24268855245179 0.11659815971158 0.04698517907263 15.999 > 22 86 O 0.74268855245179 0.11659815971158 0.04698517907263 15.999 > 22 87 O 0.24268855245179 0.61659815971158 0.04698517907263 15.999 > 22 88 O 0.74268855245179 0.61659815971158 0.04698517907263 15.999 > 22 89 O 0.24268855245179 0.13340184028842 0.54698517907263 15.999 > 23 90 O 0.74268855245179 0.13340184028842 0.54698517907263 15.999 > 23 91 O 0.24268855245179 0.63340184028842 0.54698517907263 15.999 > 23 92 O 0.74268855245179 0.63340184028842 0.54698517907263 15.999 > 23 93 O 0.25731144754821 0.38340184028842 0.95301482092737 15.999 > 24 94 O 0.75731144754821 0.38340184028842 0.95301482092737 15.999 > 24 95 O 0.25731144754821 0.88340184028842 0.95301482092737 15.999 > 24 96 O 0.75731144754821 0.88340184028842 0.95301482092737 15.999 > 24 *97 O 0.12531652860320 0.45815510997820 0.20563727455609 15.999 > 25 98 O 0.62531652860320 0.45815510997820 0.20563727455609 15.999 > 25 99 O 0.12531652860320 0.95815510997820 0.20563727455609 15.999 > 25 100 O 0.62531652860320 0.95815510997820 0.20563727455609 15.999 > 25 101 O 0.37468347139680 0.20815510997820 0.29436272544391 15.999 > 26 102 O 0.87468347139680 0.20815510997820 0.29436272544391 15.999 > 26 103 O 0.37468347139680 0.70815510997820 0.29436272544391 15.999 > 26 104 O 0.87468347139680 0.70815510997820 0.29436272544391 15.999 > 26 105 O 0.37468347139680 0.04184489002180 0.79436272544391 15.999 > 27 106 O 0.87468347139680 0.04184489002180 0.79436272544391 15.999 > 27 107 O 0.37468347139680 0.54184489002180 0.79436272544391 15.999 > 27 108 O 0.87468347139680 0.54184489002180 0.79436272544391 15.999 > 27 109 O 0.12531652860320 0.29184489002180 0.70563727455609 15.999 > 28 110 O 0.62531652860320 0.29184489002180 0.70563727455609 15.999 > 28 111 O 0.12531652860320 0.79184489002180 0.70563727455609 15.999 > 28 112 O 0.62531652860320 0.79184489002180 0.70563727455609 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5365101 0.0000000 -0.0141415 0.0000000 2.3840625 0.0000000 -0.0141417 0.0000000 2.5050253 -------------------------- Born effective charges -------------------------- 1 Na 1.0478911 0.0454011 0.0003779 0.0627629 0.9711851 -0.0402976 -0.0283082 -0.0568284 1.0310085 2 Na 1.0478911 -0.0454011 0.0003779 -0.0627629 0.9711851 0.0402976 -0.0283082 0.0568284 1.0310085 3 Na 1.0478911 0.0454011 0.0003779 0.0627629 0.9711851 -0.0402976 -0.0283082 -0.0568284 1.0310085 4 Na 1.0478911 -0.0454011 0.0003779 -0.0627629 0.9711851 0.0402976 -0.0283082 0.0568284 1.0310085 5 Na 0.9292090 -0.0097623 -0.0023356 -0.0030084 1.1028048 0.0290273 -0.0000861 -0.0201012 1.0514279 6 Na 0.9292090 0.0097623 -0.0023356 0.0030084 1.1028048 -0.0290273 -0.0000861 0.0201012 1.0514279 7 Na 0.9292090 -0.0097623 -0.0023356 -0.0030084 1.1028048 0.0290273 -0.0000861 -0.0201012 1.0514279 8 Na 0.9292090 0.0097623 -0.0023356 0.0030084 1.1028048 -0.0290273 -0.0000861 0.0201012 1.0514279 9 Na 1.0301625 -0.0466585 -0.0321777 -0.0629759 0.9887548 -0.0335500 0.0021658 -0.0247387 1.0339425 10 Na 1.0301625 0.0466585 -0.0321777 0.0629759 0.9887548 0.0335500 0.0021658 0.0247387 1.0339425 11 Na 1.0301625 -0.0466585 -0.0321777 -0.0629759 0.9887548 -0.0335500 0.0021658 -0.0247387 1.0339425 12 Na 1.0301625 0.0466585 -0.0321777 0.0629759 0.9887548 0.0335500 0.0021658 0.0247387 1.0339425 13 B 2.3472238 -0.2709177 -0.2139045 -0.2805567 0.8842198 -0.9353249 -0.1641061 -0.9498855 1.6966450 14 B 2.3472238 0.2709177 -0.2139045 0.2805567 0.8842198 0.9353249 -0.1641061 0.9498855 1.6966450 15 B 2.3472238 -0.2709177 -0.2139045 -0.2805567 0.8842198 -0.9353249 -0.1641061 -0.9498855 1.6966450 16 B 2.3472238 0.2709177 -0.2139045 0.2805567 0.8842198 0.9353249 -0.1641061 0.9498855 1.6966450 17 O -2.2971900 0.0468101 0.2001289 0.0950809 -1.1698228 0.0473654 0.1689485 0.0614227 -1.2884197 18 O -2.2971900 -0.0468101 0.2001289 -0.0950809 -1.1698228 -0.0473654 0.1689485 -0.0614227 -1.2884197 19 O -2.2971900 0.0468101 0.2001289 0.0950809 -1.1698228 0.0473654 0.1689485 0.0614227 -1.2884197 20 O -2.2971900 -0.0468101 0.2001289 -0.0950809 -1.1698228 -0.0473654 0.1689485 -0.0614227 -1.2884197 21 O -1.6165621 0.3753278 -0.3435083 0.3549597 -1.4599944 0.3885813 -0.3714452 0.4462323 -1.6114891 22 O -1.6165621 -0.3753278 -0.3435083 -0.3549597 -1.4599944 -0.3885813 -0.3714452 -0.4462323 -1.6114891 23 O -1.6165621 0.3753278 -0.3435083 0.3549597 -1.4599944 0.3885813 -0.3714452 0.4462323 -1.6114891 24 O -1.6165621 -0.3753278 -0.3435083 -0.3549597 -1.4599944 -0.3885813 -0.3714452 -0.4462323 -1.6114891 25 O -1.4407344 -0.1343414 0.3914193 -0.1478992 -1.3171473 0.4208498 0.3928313 0.3616755 -1.9131151 26 O -1.4407344 0.1343414 0.3914193 0.1478992 -1.3171473 -0.4208498 0.3928313 -0.3616755 -1.9131151 27 O -1.4407344 -0.1343414 0.3914193 -0.1478992 -1.3171473 0.4208498 0.3928313 0.3616755 -1.9131151 28 O -1.4407344 0.1343414 0.3914193 0.1478992 -1.3171473 -0.4208498 0.3928313 -0.3616755 -1.9131151 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 880 - Time: 2.634 Solver_block: 200 / 880 - Time: 1.053 Solver_block: 300 / 880 - Time: 2.465 Solver_block: 400 / 880 - Time: 1.089 Solver_block: 500 / 880 - Time: 2.266 Solver_block: 600 / 880 - Time: 1.151 Solver_block: 700 / 880 - Time: 2.265 Solver_block: 800 / 880 - Time: 2.054 Solver_block: 880 / 880 - Time: 1.849 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.452 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yz) 0.00000000 (yz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yz) -0.00000000 (yz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 08:49:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:49:12]------------------------- 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 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.681224520291386 0.000000000000000 0.000000000000000 b 0.000000000000000 7.438054810000000 0.000000000000000 c -5.280672703358139 0.000000000000000 8.009705817238958 Atomic positions (fractional): 1 Na 0.59845684886592 0.78076054686105 0.72353068800928 22.990 2 Na 0.40154315113408 0.28076054686105 0.77646931199072 22.990 3 Na 0.40154315113408 0.21923945313895 0.27646931199072 22.990 4 Na 0.59845684886592 0.71923945313895 0.22353068800928 22.990 5 Na 0.20801722132251 0.52669495402951 0.45534419524323 22.990 6 Na 0.79198277867749 0.02669495402951 0.04465580475677 22.990 7 Na 0.79198277867749 0.47330504597049 0.54465580475677 22.990 8 Na 0.20801722132251 0.97330504597049 0.95534419524323 22.990 9 Na 0.04810651422282 0.14988960028160 0.42950128176243 22.990 10 Na 0.95189348577718 0.64988960028160 0.07049871823757 22.990 11 Na 0.95189348577718 0.85011039971840 0.57049871823757 22.990 12 Na 0.04810651422282 0.35011039971840 0.92950128176243 22.990 13 B 0.27879516813816 0.83892688118936 0.34638707804071 10.811 14 B 0.72120483186184 0.33892688118936 0.15361292195929 10.811 15 B 0.72120483186184 0.16107311881064 0.65361292195929 10.811 16 B 0.27879516813816 0.66107311881064 0.84638707804071 10.811 17 O 0.05851632357768 0.85171571655568 0.37088374644028 15.999 18 O 0.94148367642232 0.35171571655568 0.12911625355972 15.999 19 O 0.94148367642232 0.14828428344432 0.62911625355972 15.999 20 O 0.05851632357768 0.64828428344432 0.87088374644028 15.999 21 O 0.51462289509643 0.73319631942316 0.45301482092737 15.999 22 O 0.48537710490357 0.23319631942316 0.04698517907263 15.999 23 O 0.48537710490357 0.26680368057684 0.54698517907263 15.999 24 O 0.51462289509643 0.76680368057684 0.95301482092737 15.999 25 O 0.25063305720640 0.91631021995639 0.20563727455609 15.999 26 O 0.74936694279360 0.41631021995640 0.29436272544391 15.999 27 O 0.74936694279360 0.08368978004360 0.79436272544391 15.999 28 O 0.25063305720640 0.58368978004361 0.70563727455609 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.362449040582772 0.000000000000000 0.000000000000000 b 0.000000000000000 14.876109619999999 0.000000000000000 c -5.280672703358139 0.000000000000000 8.009705817238958 Atomic positions (fractional): 1 Na 0.29922842443296 0.39038027343052 0.72353068800928 22.990 > 1 2 Na 0.79922842443296 0.39038027343052 0.72353068800928 22.990 > 1 3 Na 0.29922842443296 0.89038027343052 0.72353068800928 22.990 > 1 4 Na 0.79922842443296 0.89038027343052 0.72353068800928 22.990 > 1 5 Na 0.20077157556704 0.14038027343052 0.77646931199072 22.990 > 5 6 Na 0.70077157556704 0.14038027343052 0.77646931199072 22.990 > 5 7 Na 0.20077157556704 0.64038027343052 0.77646931199072 22.990 > 5 8 Na 0.70077157556704 0.64038027343052 0.77646931199072 22.990 > 5 9 Na 0.20077157556704 0.10961972656948 0.27646931199072 22.990 > 9 10 Na 0.70077157556704 0.10961972656948 0.27646931199072 22.990 > 9 11 Na 0.20077157556704 0.60961972656948 0.27646931199072 22.990 > 9 12 Na 0.70077157556704 0.60961972656948 0.27646931199072 22.990 > 9 13 Na 0.29922842443296 0.35961972656948 0.22353068800928 22.990 > 13 14 Na 0.79922842443296 0.35961972656948 0.22353068800928 22.990 > 13 15 Na 0.29922842443296 0.85961972656948 0.22353068800928 22.990 > 13 16 Na 0.79922842443296 0.85961972656948 0.22353068800928 22.990 > 13 17 Na 0.10400861066126 0.26334747701476 0.45534419524323 22.990 > 17 18 Na 0.60400861066126 0.26334747701476 0.45534419524323 22.990 > 17 19 Na 0.10400861066126 0.76334747701476 0.45534419524323 22.990 > 17 20 Na 0.60400861066126 0.76334747701476 0.45534419524323 22.990 > 17 21 Na 0.39599138933874 0.01334747701476 0.04465580475677 22.990 > 21 22 Na 0.89599138933874 0.01334747701476 0.04465580475677 22.990 > 21 23 Na 0.39599138933874 0.51334747701476 0.04465580475677 22.990 > 21 24 Na 0.89599138933874 0.51334747701476 0.04465580475677 22.990 > 21 25 Na 0.39599138933874 0.23665252298524 0.54465580475677 22.990 > 25 26 Na 0.89599138933874 0.23665252298524 0.54465580475677 22.990 > 25 27 Na 0.39599138933874 0.73665252298524 0.54465580475677 22.990 > 25 28 Na 0.89599138933874 0.73665252298524 0.54465580475677 22.990 > 25 29 Na 0.10400861066126 0.48665252298524 0.95534419524323 22.990 > 29 30 Na 0.60400861066126 0.48665252298524 0.95534419524323 22.990 > 29 31 Na 0.10400861066126 0.98665252298524 0.95534419524323 22.990 > 29 32 Na 0.60400861066126 0.98665252298524 0.95534419524323 22.990 > 29 33 Na 0.02405325711141 0.07494480014080 0.42950128176243 22.990 > 33 34 Na 0.52405325711141 0.07494480014080 0.42950128176243 22.990 > 33 35 Na 0.02405325711141 0.57494480014080 0.42950128176243 22.990 > 33 36 Na 0.52405325711141 0.57494480014080 0.42950128176243 22.990 > 33 37 Na 0.47594674288859 0.32494480014080 0.07049871823757 22.990 > 37 38 Na 0.97594674288859 0.32494480014080 0.07049871823757 22.990 > 37 39 Na 0.47594674288859 0.82494480014080 0.07049871823757 22.990 > 37 40 Na 0.97594674288859 0.82494480014080 0.07049871823757 22.990 > 37 41 Na 0.47594674288859 0.42505519985920 0.57049871823757 22.990 > 41 42 Na 0.97594674288859 0.42505519985920 0.57049871823757 22.990 > 41 43 Na 0.47594674288859 0.92505519985920 0.57049871823757 22.990 > 41 44 Na 0.97594674288859 0.92505519985920 0.57049871823757 22.990 > 41 45 Na 0.02405325711141 0.17505519985920 0.92950128176243 22.990 > 45 46 Na 0.52405325711141 0.17505519985920 0.92950128176243 22.990 > 45 47 Na 0.02405325711141 0.67505519985920 0.92950128176243 22.990 > 45 48 Na 0.52405325711141 0.67505519985920 0.92950128176243 22.990 > 45 49 B 0.13939758406908 0.41946344059468 0.34638707804071 10.811 > 49 50 B 0.63939758406908 0.41946344059468 0.34638707804071 10.811 > 49 51 B 0.13939758406908 0.91946344059468 0.34638707804071 10.811 > 49 52 B 0.63939758406908 0.91946344059468 0.34638707804071 10.811 > 49 53 B 0.36060241593092 0.16946344059468 0.15361292195929 10.811 > 53 54 B 0.86060241593092 0.16946344059468 0.15361292195929 10.811 > 53 55 B 0.36060241593092 0.66946344059468 0.15361292195929 10.811 > 53 56 B 0.86060241593092 0.66946344059468 0.15361292195929 10.811 > 53 57 B 0.36060241593092 0.08053655940532 0.65361292195929 10.811 > 57 58 B 0.86060241593092 0.08053655940532 0.65361292195929 10.811 > 57 59 B 0.36060241593092 0.58053655940532 0.65361292195929 10.811 > 57 60 B 0.86060241593092 0.58053655940532 0.65361292195929 10.811 > 57 61 B 0.13939758406908 0.33053655940532 0.84638707804071 10.811 > 61 62 B 0.63939758406908 0.33053655940532 0.84638707804071 10.811 > 61 63 B 0.13939758406908 0.83053655940532 0.84638707804071 10.811 > 61 64 B 0.63939758406908 0.83053655940532 0.84638707804071 10.811 > 61 65 O 0.02925816178884 0.42585785827784 0.37088374644028 15.999 > 65 66 O 0.52925816178884 0.42585785827784 0.37088374644028 15.999 > 65 67 O 0.02925816178884 0.92585785827784 0.37088374644028 15.999 > 65 68 O 0.52925816178884 0.92585785827784 0.37088374644028 15.999 > 65 69 O 0.47074183821116 0.17585785827784 0.12911625355972 15.999 > 69 70 O 0.97074183821116 0.17585785827784 0.12911625355972 15.999 > 69 71 O 0.47074183821116 0.67585785827784 0.12911625355972 15.999 > 69 72 O 0.97074183821116 0.67585785827784 0.12911625355972 15.999 > 69 73 O 0.47074183821116 0.07414214172216 0.62911625355972 15.999 > 73 74 O 0.97074183821116 0.07414214172216 0.62911625355972 15.999 > 73 75 O 0.47074183821116 0.57414214172216 0.62911625355972 15.999 > 73 76 O 0.97074183821116 0.57414214172216 0.62911625355972 15.999 > 73 77 O 0.02925816178884 0.32414214172216 0.87088374644028 15.999 > 77 78 O 0.52925816178884 0.32414214172216 0.87088374644028 15.999 > 77 79 O 0.02925816178884 0.82414214172216 0.87088374644028 15.999 > 77 80 O 0.52925816178884 0.82414214172216 0.87088374644028 15.999 > 77 81 O 0.25731144754821 0.36659815971158 0.45301482092737 15.999 > 81 82 O 0.75731144754821 0.36659815971158 0.45301482092737 15.999 > 81 83 O 0.25731144754821 0.86659815971158 0.45301482092737 15.999 > 81 84 O 0.75731144754821 0.86659815971158 0.45301482092737 15.999 > 81 85 O 0.24268855245179 0.11659815971158 0.04698517907263 15.999 > 85 86 O 0.74268855245179 0.11659815971158 0.04698517907263 15.999 > 85 87 O 0.24268855245179 0.61659815971158 0.04698517907263 15.999 > 85 88 O 0.74268855245179 0.61659815971158 0.04698517907263 15.999 > 85 89 O 0.24268855245179 0.13340184028842 0.54698517907263 15.999 > 89 90 O 0.74268855245179 0.13340184028842 0.54698517907263 15.999 > 89 91 O 0.24268855245179 0.63340184028842 0.54698517907263 15.999 > 89 92 O 0.74268855245179 0.63340184028842 0.54698517907263 15.999 > 89 93 O 0.25731144754821 0.38340184028842 0.95301482092737 15.999 > 93 94 O 0.75731144754821 0.38340184028842 0.95301482092737 15.999 > 93 95 O 0.25731144754821 0.88340184028842 0.95301482092737 15.999 > 93 96 O 0.75731144754821 0.88340184028842 0.95301482092737 15.999 > 93 97 O 0.12531652860320 0.45815510997820 0.20563727455609 15.999 > 97 98 O 0.62531652860320 0.45815510997820 0.20563727455609 15.999 > 97 99 O 0.12531652860320 0.95815510997820 0.20563727455609 15.999 > 97 100 O 0.62531652860320 0.95815510997820 0.20563727455609 15.999 > 97 101 O 0.37468347139680 0.20815510997820 0.29436272544391 15.999 > 101 102 O 0.87468347139680 0.20815510997820 0.29436272544391 15.999 > 101 103 O 0.37468347139680 0.70815510997820 0.29436272544391 15.999 > 101 104 O 0.87468347139680 0.70815510997820 0.29436272544391 15.999 > 101 105 O 0.37468347139680 0.04184489002180 0.79436272544391 15.999 > 105 106 O 0.87468347139680 0.04184489002180 0.79436272544391 15.999 > 105 107 O 0.37468347139680 0.54184489002180 0.79436272544391 15.999 > 105 108 O 0.87468347139680 0.54184489002180 0.79436272544391 15.999 > 105 109 O 0.12531652860320 0.29184489002180 0.70563727455609 15.999 > 109 110 O 0.62531652860320 0.29184489002180 0.70563727455609 15.999 > 109 111 O 0.12531652860320 0.79184489002180 0.70563727455609 15.999 > 109 112 O 0.62531652860320 0.79184489002180 0.70563727455609 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5365101 0.0000000 -0.0141415 0.0000000 2.3840625 0.0000000 -0.0141417 0.0000000 2.5050253 -------------------------- Born effective charges -------------------------- 1 Na 1.0478911 0.0454011 0.0003779 0.0627629 0.9711851 -0.0402976 -0.0283082 -0.0568284 1.0310085 2 Na 1.0478911 -0.0454011 0.0003779 -0.0627629 0.9711851 0.0402976 -0.0283082 0.0568284 1.0310085 3 Na 1.0478911 0.0454011 0.0003779 0.0627629 0.9711851 -0.0402976 -0.0283082 -0.0568284 1.0310085 4 Na 1.0478911 -0.0454011 0.0003779 -0.0627629 0.9711851 0.0402976 -0.0283082 0.0568284 1.0310085 5 Na 0.9292090 -0.0097623 -0.0023356 -0.0030084 1.1028048 0.0290273 -0.0000861 -0.0201012 1.0514279 6 Na 0.9292090 0.0097623 -0.0023356 0.0030084 1.1028048 -0.0290273 -0.0000861 0.0201012 1.0514279 7 Na 0.9292090 -0.0097623 -0.0023356 -0.0030084 1.1028048 0.0290273 -0.0000861 -0.0201012 1.0514279 8 Na 0.9292090 0.0097623 -0.0023356 0.0030084 1.1028048 -0.0290273 -0.0000861 0.0201012 1.0514279 9 Na 1.0301625 -0.0466585 -0.0321777 -0.0629759 0.9887548 -0.0335500 0.0021658 -0.0247387 1.0339425 10 Na 1.0301625 0.0466585 -0.0321777 0.0629759 0.9887548 0.0335500 0.0021658 0.0247387 1.0339425 11 Na 1.0301625 -0.0466585 -0.0321777 -0.0629759 0.9887548 -0.0335500 0.0021658 -0.0247387 1.0339425 12 Na 1.0301625 0.0466585 -0.0321777 0.0629759 0.9887548 0.0335500 0.0021658 0.0247387 1.0339425 13 B 2.3472238 -0.2709177 -0.2139045 -0.2805567 0.8842198 -0.9353249 -0.1641061 -0.9498855 1.6966450 14 B 2.3472238 0.2709177 -0.2139045 0.2805567 0.8842198 0.9353249 -0.1641061 0.9498855 1.6966450 15 B 2.3472238 -0.2709177 -0.2139045 -0.2805567 0.8842198 -0.9353249 -0.1641061 -0.9498855 1.6966450 16 B 2.3472238 0.2709177 -0.2139045 0.2805567 0.8842198 0.9353249 -0.1641061 0.9498855 1.6966450 17 O -2.2971900 0.0468101 0.2001289 0.0950809 -1.1698228 0.0473654 0.1689485 0.0614227 -1.2884197 18 O -2.2971900 -0.0468101 0.2001289 -0.0950809 -1.1698228 -0.0473654 0.1689485 -0.0614227 -1.2884197 19 O -2.2971900 0.0468101 0.2001289 0.0950809 -1.1698228 0.0473654 0.1689485 0.0614227 -1.2884197 20 O -2.2971900 -0.0468101 0.2001289 -0.0950809 -1.1698228 -0.0473654 0.1689485 -0.0614227 -1.2884197 21 O -1.6165621 0.3753278 -0.3435083 0.3549597 -1.4599944 0.3885813 -0.3714452 0.4462323 -1.6114891 22 O -1.6165621 -0.3753278 -0.3435083 -0.3549597 -1.4599944 -0.3885813 -0.3714452 -0.4462323 -1.6114891 23 O -1.6165621 0.3753278 -0.3435083 0.3549597 -1.4599944 0.3885813 -0.3714452 0.4462323 -1.6114891 24 O -1.6165621 -0.3753278 -0.3435083 -0.3549597 -1.4599944 -0.3885813 -0.3714452 -0.4462323 -1.6114891 25 O -1.4407344 -0.1343414 0.3914193 -0.1478992 -1.3171473 0.4208498 0.3928313 0.3616755 -1.9131151 26 O -1.4407344 0.1343414 0.3914193 0.1478992 -1.3171473 -0.4208498 0.3928313 -0.3616755 -1.9131151 27 O -1.4407344 -0.1343414 0.3914193 -0.1478992 -1.3171473 0.4208498 0.3928313 0.3616755 -1.9131151 28 O -1.4407344 0.1343414 0.3914193 0.1478992 -1.3171473 -0.4208498 0.3928313 -0.3616755 -1.9131151 ---------------------------------------------------------------------------- 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] 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] [-0.0055 0.0000 0.0083] [ 0.0055 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:49:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:49:46]------------------------- 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 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.681224520291386 0.000000000000000 0.000000000000000 b 0.000000000000000 7.438054810000000 0.000000000000000 c -5.280672703358139 0.000000000000000 8.009705817238958 Atomic positions (fractional): 1 Na 0.59845684886592 0.78076054686105 0.72353068800928 22.990 2 Na 0.40154315113408 0.28076054686105 0.77646931199072 22.990 3 Na 0.40154315113408 0.21923945313895 0.27646931199072 22.990 4 Na 0.59845684886592 0.71923945313895 0.22353068800928 22.990 5 Na 0.20801722132251 0.52669495402951 0.45534419524323 22.990 6 Na 0.79198277867749 0.02669495402951 0.04465580475677 22.990 7 Na 0.79198277867749 0.47330504597049 0.54465580475677 22.990 8 Na 0.20801722132251 0.97330504597049 0.95534419524323 22.990 9 Na 0.04810651422282 0.14988960028160 0.42950128176243 22.990 10 Na 0.95189348577718 0.64988960028160 0.07049871823757 22.990 11 Na 0.95189348577718 0.85011039971840 0.57049871823757 22.990 12 Na 0.04810651422282 0.35011039971840 0.92950128176243 22.990 13 B 0.27879516813816 0.83892688118936 0.34638707804071 10.811 14 B 0.72120483186184 0.33892688118936 0.15361292195929 10.811 15 B 0.72120483186184 0.16107311881064 0.65361292195929 10.811 16 B 0.27879516813816 0.66107311881064 0.84638707804071 10.811 17 O 0.05851632357768 0.85171571655568 0.37088374644028 15.999 18 O 0.94148367642232 0.35171571655568 0.12911625355972 15.999 19 O 0.94148367642232 0.14828428344432 0.62911625355972 15.999 20 O 0.05851632357768 0.64828428344432 0.87088374644028 15.999 21 O 0.51462289509643 0.73319631942316 0.45301482092737 15.999 22 O 0.48537710490357 0.23319631942316 0.04698517907263 15.999 23 O 0.48537710490357 0.26680368057684 0.54698517907263 15.999 24 O 0.51462289509643 0.76680368057684 0.95301482092737 15.999 25 O 0.25063305720640 0.91631021995639 0.20563727455609 15.999 26 O 0.74936694279360 0.41631021995640 0.29436272544391 15.999 27 O 0.74936694279360 0.08368978004360 0.79436272544391 15.999 28 O 0.25063305720640 0.58368978004361 0.70563727455609 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.362449040582772 0.000000000000000 0.000000000000000 b 0.000000000000000 14.876109619999999 0.000000000000000 c -5.280672703358139 0.000000000000000 8.009705817238958 Atomic positions (fractional): 1 Na 0.29922842443296 0.39038027343052 0.72353068800928 22.990 > 1 2 Na 0.79922842443296 0.39038027343052 0.72353068800928 22.990 > 1 3 Na 0.29922842443296 0.89038027343052 0.72353068800928 22.990 > 1 4 Na 0.79922842443296 0.89038027343052 0.72353068800928 22.990 > 1 5 Na 0.20077157556704 0.14038027343052 0.77646931199072 22.990 > 5 6 Na 0.70077157556704 0.14038027343052 0.77646931199072 22.990 > 5 7 Na 0.20077157556704 0.64038027343052 0.77646931199072 22.990 > 5 8 Na 0.70077157556704 0.64038027343052 0.77646931199072 22.990 > 5 9 Na 0.20077157556704 0.10961972656948 0.27646931199072 22.990 > 9 10 Na 0.70077157556704 0.10961972656948 0.27646931199072 22.990 > 9 11 Na 0.20077157556704 0.60961972656948 0.27646931199072 22.990 > 9 12 Na 0.70077157556704 0.60961972656948 0.27646931199072 22.990 > 9 13 Na 0.29922842443296 0.35961972656948 0.22353068800928 22.990 > 13 14 Na 0.79922842443296 0.35961972656948 0.22353068800928 22.990 > 13 15 Na 0.29922842443296 0.85961972656948 0.22353068800928 22.990 > 13 16 Na 0.79922842443296 0.85961972656948 0.22353068800928 22.990 > 13 17 Na 0.10400861066126 0.26334747701476 0.45534419524323 22.990 > 17 18 Na 0.60400861066126 0.26334747701476 0.45534419524323 22.990 > 17 19 Na 0.10400861066126 0.76334747701476 0.45534419524323 22.990 > 17 20 Na 0.60400861066126 0.76334747701476 0.45534419524323 22.990 > 17 21 Na 0.39599138933874 0.01334747701476 0.04465580475677 22.990 > 21 22 Na 0.89599138933874 0.01334747701476 0.04465580475677 22.990 > 21 23 Na 0.39599138933874 0.51334747701476 0.04465580475677 22.990 > 21 24 Na 0.89599138933874 0.51334747701476 0.04465580475677 22.990 > 21 25 Na 0.39599138933874 0.23665252298524 0.54465580475677 22.990 > 25 26 Na 0.89599138933874 0.23665252298524 0.54465580475677 22.990 > 25 27 Na 0.39599138933874 0.73665252298524 0.54465580475677 22.990 > 25 28 Na 0.89599138933874 0.73665252298524 0.54465580475677 22.990 > 25 29 Na 0.10400861066126 0.48665252298524 0.95534419524323 22.990 > 29 30 Na 0.60400861066126 0.48665252298524 0.95534419524323 22.990 > 29 31 Na 0.10400861066126 0.98665252298524 0.95534419524323 22.990 > 29 32 Na 0.60400861066126 0.98665252298524 0.95534419524323 22.990 > 29 33 Na 0.02405325711141 0.07494480014080 0.42950128176243 22.990 > 33 34 Na 0.52405325711141 0.07494480014080 0.42950128176243 22.990 > 33 35 Na 0.02405325711141 0.57494480014080 0.42950128176243 22.990 > 33 36 Na 0.52405325711141 0.57494480014080 0.42950128176243 22.990 > 33 37 Na 0.47594674288859 0.32494480014080 0.07049871823757 22.990 > 37 38 Na 0.97594674288859 0.32494480014080 0.07049871823757 22.990 > 37 39 Na 0.47594674288859 0.82494480014080 0.07049871823757 22.990 > 37 40 Na 0.97594674288859 0.82494480014080 0.07049871823757 22.990 > 37 41 Na 0.47594674288859 0.42505519985920 0.57049871823757 22.990 > 41 42 Na 0.97594674288859 0.42505519985920 0.57049871823757 22.990 > 41 43 Na 0.47594674288859 0.92505519985920 0.57049871823757 22.990 > 41 44 Na 0.97594674288859 0.92505519985920 0.57049871823757 22.990 > 41 45 Na 0.02405325711141 0.17505519985920 0.92950128176243 22.990 > 45 46 Na 0.52405325711141 0.17505519985920 0.92950128176243 22.990 > 45 47 Na 0.02405325711141 0.67505519985920 0.92950128176243 22.990 > 45 48 Na 0.52405325711141 0.67505519985920 0.92950128176243 22.990 > 45 49 B 0.13939758406908 0.41946344059468 0.34638707804071 10.811 > 49 50 B 0.63939758406908 0.41946344059468 0.34638707804071 10.811 > 49 51 B 0.13939758406908 0.91946344059468 0.34638707804071 10.811 > 49 52 B 0.63939758406908 0.91946344059468 0.34638707804071 10.811 > 49 53 B 0.36060241593092 0.16946344059468 0.15361292195929 10.811 > 53 54 B 0.86060241593092 0.16946344059468 0.15361292195929 10.811 > 53 55 B 0.36060241593092 0.66946344059468 0.15361292195929 10.811 > 53 56 B 0.86060241593092 0.66946344059468 0.15361292195929 10.811 > 53 57 B 0.36060241593092 0.08053655940532 0.65361292195929 10.811 > 57 58 B 0.86060241593092 0.08053655940532 0.65361292195929 10.811 > 57 59 B 0.36060241593092 0.58053655940532 0.65361292195929 10.811 > 57 60 B 0.86060241593092 0.58053655940532 0.65361292195929 10.811 > 57 61 B 0.13939758406908 0.33053655940532 0.84638707804071 10.811 > 61 62 B 0.63939758406908 0.33053655940532 0.84638707804071 10.811 > 61 63 B 0.13939758406908 0.83053655940532 0.84638707804071 10.811 > 61 64 B 0.63939758406908 0.83053655940532 0.84638707804071 10.811 > 61 65 O 0.02925816178884 0.42585785827784 0.37088374644028 15.999 > 65 66 O 0.52925816178884 0.42585785827784 0.37088374644028 15.999 > 65 67 O 0.02925816178884 0.92585785827784 0.37088374644028 15.999 > 65 68 O 0.52925816178884 0.92585785827784 0.37088374644028 15.999 > 65 69 O 0.47074183821116 0.17585785827784 0.12911625355972 15.999 > 69 70 O 0.97074183821116 0.17585785827784 0.12911625355972 15.999 > 69 71 O 0.47074183821116 0.67585785827784 0.12911625355972 15.999 > 69 72 O 0.97074183821116 0.67585785827784 0.12911625355972 15.999 > 69 73 O 0.47074183821116 0.07414214172216 0.62911625355972 15.999 > 73 74 O 0.97074183821116 0.07414214172216 0.62911625355972 15.999 > 73 75 O 0.47074183821116 0.57414214172216 0.62911625355972 15.999 > 73 76 O 0.97074183821116 0.57414214172216 0.62911625355972 15.999 > 73 77 O 0.02925816178884 0.32414214172216 0.87088374644028 15.999 > 77 78 O 0.52925816178884 0.32414214172216 0.87088374644028 15.999 > 77 79 O 0.02925816178884 0.82414214172216 0.87088374644028 15.999 > 77 80 O 0.52925816178884 0.82414214172216 0.87088374644028 15.999 > 77 81 O 0.25731144754821 0.36659815971158 0.45301482092737 15.999 > 81 82 O 0.75731144754821 0.36659815971158 0.45301482092737 15.999 > 81 83 O 0.25731144754821 0.86659815971158 0.45301482092737 15.999 > 81 84 O 0.75731144754821 0.86659815971158 0.45301482092737 15.999 > 81 85 O 0.24268855245179 0.11659815971158 0.04698517907263 15.999 > 85 86 O 0.74268855245179 0.11659815971158 0.04698517907263 15.999 > 85 87 O 0.24268855245179 0.61659815971158 0.04698517907263 15.999 > 85 88 O 0.74268855245179 0.61659815971158 0.04698517907263 15.999 > 85 89 O 0.24268855245179 0.13340184028842 0.54698517907263 15.999 > 89 90 O 0.74268855245179 0.13340184028842 0.54698517907263 15.999 > 89 91 O 0.24268855245179 0.63340184028842 0.54698517907263 15.999 > 89 92 O 0.74268855245179 0.63340184028842 0.54698517907263 15.999 > 89 93 O 0.25731144754821 0.38340184028842 0.95301482092737 15.999 > 93 94 O 0.75731144754821 0.38340184028842 0.95301482092737 15.999 > 93 95 O 0.25731144754821 0.88340184028842 0.95301482092737 15.999 > 93 96 O 0.75731144754821 0.88340184028842 0.95301482092737 15.999 > 93 97 O 0.12531652860320 0.45815510997820 0.20563727455609 15.999 > 97 98 O 0.62531652860320 0.45815510997820 0.20563727455609 15.999 > 97 99 O 0.12531652860320 0.95815510997820 0.20563727455609 15.999 > 97 100 O 0.62531652860320 0.95815510997820 0.20563727455609 15.999 > 97 101 O 0.37468347139680 0.20815510997820 0.29436272544391 15.999 > 101 102 O 0.87468347139680 0.20815510997820 0.29436272544391 15.999 > 101 103 O 0.37468347139680 0.70815510997820 0.29436272544391 15.999 > 101 104 O 0.87468347139680 0.70815510997820 0.29436272544391 15.999 > 101 105 O 0.37468347139680 0.04184489002180 0.79436272544391 15.999 > 105 106 O 0.87468347139680 0.04184489002180 0.79436272544391 15.999 > 105 107 O 0.37468347139680 0.54184489002180 0.79436272544391 15.999 > 105 108 O 0.87468347139680 0.54184489002180 0.79436272544391 15.999 > 105 109 O 0.12531652860320 0.29184489002180 0.70563727455609 15.999 > 109 110 O 0.62531652860320 0.29184489002180 0.70563727455609 15.999 > 109 111 O 0.12531652860320 0.79184489002180 0.70563727455609 15.999 > 109 112 O 0.62531652860320 0.79184489002180 0.70563727455609 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5365101 0.0000000 -0.0141415 0.0000000 2.3840625 0.0000000 -0.0141417 0.0000000 2.5050253 -------------------------- Born effective charges -------------------------- 1 Na 1.0478911 0.0454011 0.0003779 0.0627629 0.9711851 -0.0402976 -0.0283082 -0.0568284 1.0310085 2 Na 1.0478911 -0.0454011 0.0003779 -0.0627629 0.9711851 0.0402976 -0.0283082 0.0568284 1.0310085 3 Na 1.0478911 0.0454011 0.0003779 0.0627629 0.9711851 -0.0402976 -0.0283082 -0.0568284 1.0310085 4 Na 1.0478911 -0.0454011 0.0003779 -0.0627629 0.9711851 0.0402976 -0.0283082 0.0568284 1.0310085 5 Na 0.9292090 -0.0097623 -0.0023356 -0.0030084 1.1028048 0.0290273 -0.0000861 -0.0201012 1.0514279 6 Na 0.9292090 0.0097623 -0.0023356 0.0030084 1.1028048 -0.0290273 -0.0000861 0.0201012 1.0514279 7 Na 0.9292090 -0.0097623 -0.0023356 -0.0030084 1.1028048 0.0290273 -0.0000861 -0.0201012 1.0514279 8 Na 0.9292090 0.0097623 -0.0023356 0.0030084 1.1028048 -0.0290273 -0.0000861 0.0201012 1.0514279 9 Na 1.0301625 -0.0466585 -0.0321777 -0.0629759 0.9887548 -0.0335500 0.0021658 -0.0247387 1.0339425 10 Na 1.0301625 0.0466585 -0.0321777 0.0629759 0.9887548 0.0335500 0.0021658 0.0247387 1.0339425 11 Na 1.0301625 -0.0466585 -0.0321777 -0.0629759 0.9887548 -0.0335500 0.0021658 -0.0247387 1.0339425 12 Na 1.0301625 0.0466585 -0.0321777 0.0629759 0.9887548 0.0335500 0.0021658 0.0247387 1.0339425 13 B 2.3472238 -0.2709177 -0.2139045 -0.2805567 0.8842198 -0.9353249 -0.1641061 -0.9498855 1.6966450 14 B 2.3472238 0.2709177 -0.2139045 0.2805567 0.8842198 0.9353249 -0.1641061 0.9498855 1.6966450 15 B 2.3472238 -0.2709177 -0.2139045 -0.2805567 0.8842198 -0.9353249 -0.1641061 -0.9498855 1.6966450 16 B 2.3472238 0.2709177 -0.2139045 0.2805567 0.8842198 0.9353249 -0.1641061 0.9498855 1.6966450 17 O -2.2971900 0.0468101 0.2001289 0.0950809 -1.1698228 0.0473654 0.1689485 0.0614227 -1.2884197 18 O -2.2971900 -0.0468101 0.2001289 -0.0950809 -1.1698228 -0.0473654 0.1689485 -0.0614227 -1.2884197 19 O -2.2971900 0.0468101 0.2001289 0.0950809 -1.1698228 0.0473654 0.1689485 0.0614227 -1.2884197 20 O -2.2971900 -0.0468101 0.2001289 -0.0950809 -1.1698228 -0.0473654 0.1689485 -0.0614227 -1.2884197 21 O -1.6165621 0.3753278 -0.3435083 0.3549597 -1.4599944 0.3885813 -0.3714452 0.4462323 -1.6114891 22 O -1.6165621 -0.3753278 -0.3435083 -0.3549597 -1.4599944 -0.3885813 -0.3714452 -0.4462323 -1.6114891 23 O -1.6165621 0.3753278 -0.3435083 0.3549597 -1.4599944 0.3885813 -0.3714452 0.4462323 -1.6114891 24 O -1.6165621 -0.3753278 -0.3435083 -0.3549597 -1.4599944 -0.3885813 -0.3714452 -0.4462323 -1.6114891 25 O -1.4407344 -0.1343414 0.3914193 -0.1478992 -1.3171473 0.4208498 0.3928313 0.3616755 -1.9131151 26 O -1.4407344 0.1343414 0.3914193 0.1478992 -1.3171473 -0.4208498 0.3928313 -0.3616755 -1.9131151 27 O -1.4407344 -0.1343414 0.3914193 -0.1478992 -1.3171473 0.4208498 0.3928313 0.3616755 -1.9131151 28 O -1.4407344 0.1343414 0.3914193 0.1478992 -1.3171473 -0.4208498 0.3928313 -0.3616755 -1.9131151 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 7 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: 0.60, Number of G-points: 311, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/136) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 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 2.014 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 3.090 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 4.020 ( 0.000 0.000 0.000) 0.000 4.034 ( 0.000 0.000 0.000) 0.000 4.166 ( 0.000 0.000 0.000) 0.000 4.320 ( 0.000 0.000 0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.579 ( 0.000 0.000 0.000) 0.000 4.827 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.154 ( 0.000 0.000 0.000) 0.000 5.155 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.338 ( 0.000 0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 6.012 ( 0.000 0.000 0.000) 0.000 6.164 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.240 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.506 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 6.660 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 7.088 ( 0.000 0.000 0.000) 0.000 7.094 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 7.287 ( 0.000 0.000 0.000) 0.000 7.461 ( 0.000 0.000 0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.647 ( 0.000 0.000 0.000) 0.000 7.831 ( 0.000 0.000 0.000) 0.000 7.860 ( 0.000 0.000 0.000) 0.000 7.870 ( 0.000 0.000 0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 8.269 ( 0.000 0.000 0.000) 0.000 8.376 ( 0.000 0.000 0.000) 0.000 8.598 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 8.801 ( 0.000 0.000 0.000) 0.000 9.309 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 9.669 ( 0.000 0.000 0.000) 0.000 9.767 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 16.640 ( 0.000 0.000 0.000) 0.000 16.657 ( 0.000 0.000 0.000) 0.000 16.777 ( 0.000 0.000 0.000) 0.000 17.006 ( 0.000 0.000 0.000) 0.000 17.123 ( 0.000 0.000 0.000) 0.000 17.142 ( 0.000 0.000 0.000) 0.000 17.177 ( 0.000 0.000 0.000) 0.000 17.298 ( 0.000 0.000 0.000) 0.000 22.520 ( 0.000 0.000 0.000) 0.000 22.560 ( 0.000 0.000 0.000) 0.000 22.731 ( 0.000 0.000 0.000) 0.000 22.847 ( 0.000 0.000 0.000) 0.000 26.368 ( 0.000 0.000 0.000) 0.000 26.473 ( 0.000 0.000 0.000) 0.000 26.479 ( 0.000 0.000 0.000) 0.000 26.481 ( 0.000 0.000 0.000) 0.000 35.364 ( 0.000 0.000 0.000) 0.000 35.472 ( 0.000 0.000 0.000) 0.000 35.730 ( 0.000 0.000 0.000) 0.000 35.893 ( 0.000 0.000 0.000) 0.000 36.192 ( 0.000 0.000 0.000) 0.000 36.229 ( 0.000 0.000 0.000) 0.000 36.365 ( 0.000 0.000 0.000) 0.000 37.726 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/136) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 25.121 0.000 19.074) 31.542 0.632 ( 26.234 0.000 20.231) 33.129 1.231 ( 59.796 0.000 24.228) 64.518 2.059 ( 4.243 0.000 1.416) 4.473 2.224 ( -3.510 0.000 5.969) 6.924 3.024 ( -10.324 0.000 5.760) 11.822 3.158 ( 5.407 0.000 -16.475) 17.339 3.389 ( 2.133 0.000 13.673) 13.838 3.820 ( 10.901 0.000 -13.310) 17.204 4.016 ( -1.868 0.000 -0.253) 1.885 4.022 ( -0.624 0.000 1.176) 1.331 4.234 ( 4.680 0.000 4.571) 6.542 4.320 ( -2.887 0.000 1.816) 3.411 4.527 ( 1.019 0.000 -2.708) 2.893 4.557 ( 6.084 0.000 -6.448) 8.866 4.821 ( -3.051 0.000 -5.060) 5.909 4.985 ( -11.967 0.000 -11.117) 16.334 5.006 ( 5.067 0.000 5.317) 7.345 5.067 ( 3.272 0.000 0.069) 3.273 5.140 ( -8.942 0.000 -0.351) 8.949 5.167 ( -2.218 0.000 -3.772) 4.376 5.319 ( 2.760 0.000 13.516) 13.795 5.400 ( -6.621 0.000 7.323) 9.872 5.521 ( 1.968 0.000 9.491) 9.693 5.602 ( 0.842 0.000 2.806) 2.929 5.758 ( 3.675 0.000 -7.604) 8.445 5.853 ( -5.652 0.000 4.123) 6.996 5.905 ( 0.820 0.000 -2.658) 2.781 6.079 ( -8.433 0.000 -1.271) 8.529 6.161 ( -2.523 0.000 7.571) 7.980 6.211 ( 3.528 0.000 -2.768) 4.484 6.214 ( -1.695 0.000 -3.411) 3.809 6.306 ( 3.490 0.000 0.062) 3.491 6.553 ( 7.666 0.000 -3.500) 8.427 6.642 ( 5.333 0.000 0.138) 5.335 6.701 ( 0.857 0.000 5.195) 5.265 6.786 ( -10.617 0.000 10.046) 14.616 6.869 ( -14.198 0.000 4.784) 14.982 7.068 ( 3.805 0.000 5.592) 6.764 7.143 ( 2.143 0.000 -4.161) 4.680 7.358 ( -1.056 0.000 -0.807) 1.329 7.413 ( 13.824 0.000 1.593) 13.915 7.487 ( 2.150 0.000 -0.644) 2.244 7.562 ( -1.725 0.000 -1.953) 2.605 7.631 ( -1.439 0.000 0.584) 1.553 7.691 ( 4.524 0.000 -0.878) 4.608 7.854 ( -3.972 0.000 1.628) 4.293 7.949 ( -5.007 0.000 -0.101) 5.008 7.968 ( 7.147 0.000 5.755) 9.176 8.203 ( -2.915 0.000 -4.938) 5.734 8.269 ( -11.489 0.000 7.481) 13.710 8.428 ( 2.243 0.000 2.441) 3.315 8.608 ( -0.825 0.000 2.656) 2.781 8.779 ( -1.963 0.000 -0.698) 2.083 9.283 ( -2.395 0.000 -1.318) 2.734 9.404 ( -8.887 0.000 5.010) 10.202 9.597 ( -2.253 0.000 -0.666) 2.350 9.661 ( -3.084 0.000 2.966) 4.279 9.938 ( -3.199 0.000 -1.266) 3.441 10.748 ( 4.114 0.000 -18.916) 19.358 16.647 ( 1.361 0.000 -0.359) 1.408 16.683 ( 0.725 0.000 3.274) 3.354 16.785 ( 0.359 0.000 0.870) 0.941 16.989 ( -1.564 0.000 -0.827) 1.769 17.125 ( -2.488 0.000 0.622) 2.564 17.153 ( 1.322 0.000 -3.743) 3.969 17.163 ( -1.434 0.000 -0.284) 1.462 17.287 ( -1.292 0.000 -0.273) 1.321 22.524 ( 0.111 0.000 0.424) 0.438 22.620 ( -3.528 0.000 3.106) 4.700 22.742 ( 0.202 0.000 1.348) 1.363 22.841 ( -0.530 0.000 -0.374) 0.649 26.374 ( 0.530 0.000 0.275) 0.597 26.471 ( 0.099 0.000 -0.923) 0.929 26.478 ( 0.462 0.000 0.371) 0.593 26.495 ( 0.495 0.000 0.995) 1.112 35.541 ( 4.672 0.000 5.509) 7.224 35.745 ( 1.772 0.000 0.373) 1.811 35.843 ( -3.454 0.000 -2.576) 4.308 36.108 ( 23.950 0.000 -28.898) 37.532 36.207 ( 0.151 0.000 -5.344) 5.346 36.444 ( 10.447 0.000 -2.091) 10.654 37.719 ( -3.517 0.000 4.528) 5.734 37.909 ( 7.758 0.000 -14.667) 16.592 ======================= Grid point 2 (3/136) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 22.642 0.000 18.909) 29.499 1.262 ( 25.602 0.000 20.238) 32.635 2.157 ( 6.544 0.000 1.397) 6.691 2.254 ( -2.473 0.000 9.566) 9.880 2.407 ( 54.778 0.000 21.906) 58.996 2.943 ( -8.013 0.000 9.072) 12.104 3.026 ( 2.011 0.000 -17.929) 18.041 3.562 ( 1.331 0.000 6.291) 6.430 3.811 ( 9.199 0.000 -18.985) 21.096 4.009 ( -3.109 0.000 1.265) 3.357 4.017 ( 3.627 0.000 3.234) 4.860 4.295 ( -2.322 0.000 1.700) 2.878 4.322 ( -1.250 0.000 -2.205) 2.535 4.480 ( -2.339 0.000 -14.492) 14.679 4.516 ( -2.502 0.000 -2.499) 3.536 4.716 ( 0.237 0.000 -6.541) 6.546 4.863 ( 9.594 0.000 1.121) 9.659 4.970 ( -7.363 0.000 -1.393) 7.493 5.058 ( -2.606 0.000 2.177) 3.395 5.191 ( 6.499 0.000 1.115) 6.594 5.231 ( 5.458 0.000 10.263) 11.624 5.292 ( -14.001 0.000 5.971) 15.221 5.488 ( 5.435 0.000 5.049) 7.418 5.597 ( 1.936 0.000 -9.123) 9.326 5.624 ( -4.328 0.000 6.112) 7.489 5.752 ( 2.335 0.000 -2.469) 3.399 5.803 ( -3.883 0.000 1.323) 4.102 5.906 ( -1.005 0.000 -8.077) 8.139 5.933 ( 3.182 0.000 -3.414) 4.667 6.015 ( -5.584 0.000 0.746) 5.634 6.287 ( 11.110 0.000 -4.887) 12.138 6.304 ( 5.680 0.000 -1.847) 5.973 6.328 ( -8.583 0.000 8.929) 12.385 6.635 ( -11.326 0.000 5.727) 12.692 6.657 ( 8.570 0.000 -2.244) 8.859 6.752 ( 0.525 0.000 2.473) 2.528 6.771 ( 0.038 0.000 6.080) 6.080 6.829 ( 1.285 0.000 3.980) 4.182 7.161 ( 6.425 0.000 -3.172) 7.165 7.171 ( 1.353 0.000 2.794) 3.104 7.332 ( -1.536 0.000 -0.094) 1.539 7.427 ( -6.138 0.000 -2.426) 6.600 7.469 ( -3.436 0.000 -0.931) 3.560 7.668 ( 0.663 0.000 3.072) 3.143 7.693 ( 14.399 0.000 2.040) 14.543 7.784 ( 5.345 0.000 2.946) 6.103 7.788 ( -3.850 0.000 2.258) 4.463 7.897 ( -1.795 0.000 -1.120) 2.116 8.123 ( -0.880 0.000 -1.607) 1.832 8.124 ( -8.201 0.000 -4.544) 9.376 8.145 ( 5.992 0.000 5.984) 8.468 8.454 ( -1.628 0.000 0.626) 1.744 8.618 ( -0.728 0.000 1.287) 1.478 8.736 ( -2.448 0.000 -0.200) 2.456 9.201 ( -4.836 0.000 -3.556) 6.003 9.292 ( -8.615 0.000 1.694) 8.780 9.535 ( -4.125 0.000 -1.229) 4.304 9.629 ( -5.756 0.000 4.298) 7.183 9.848 ( -6.181 0.000 -1.095) 6.277 10.555 ( -7.455 0.000 -12.063) 14.180 16.677 ( 1.084 0.000 2.040) 2.310 16.743 ( 2.049 0.000 3.565) 4.113 16.802 ( -0.177 0.000 1.686) 1.695 16.943 ( -2.269 0.000 -1.610) 2.783 17.081 ( -3.842 0.000 0.940) 3.955 17.129 ( 0.807 0.000 -3.852) 3.935 17.133 ( -1.751 0.000 -0.141) 1.757 17.252 ( -1.968 0.000 -1.130) 2.270 22.532 ( 0.191 0.000 0.720) 0.745 22.592 ( -2.017 0.000 0.282) 2.037 22.761 ( 0.239 0.000 1.407) 1.428 22.823 ( -0.852 0.000 -0.693) 1.098 26.391 ( 0.960 0.000 0.531) 1.097 26.462 ( -0.026 0.000 -0.916) 0.916 26.493 ( 0.729 0.000 0.554) 0.915 26.514 ( 0.639 0.000 0.780) 1.008 35.706 ( 5.191 0.000 7.527) 9.143 35.757 ( -2.409 0.000 -4.225) 4.864 35.805 ( 4.995 0.000 2.541) 5.604 36.125 ( -0.733 0.000 -8.700) 8.731 36.219 ( 17.704 0.000 -13.485) 22.255 36.603 ( 12.870 0.000 -5.731) 14.089 37.732 ( -3.409 0.000 9.865) 10.437 37.863 ( 0.668 0.000 -6.725) 6.758 ======================= Grid point 3 (4/136) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 19.666 0.000 18.955) 27.314 1.860 ( 22.648 0.000 18.420) 29.193 2.268 ( 5.815 0.000 1.467) 5.997 2.354 ( 2.879 0.000 8.729) 9.192 2.863 ( 1.158 0.000 -15.805) 15.848 2.978 ( -1.273 0.000 10.899) 10.973 3.359 ( 21.026 0.000 14.162) 25.350 3.604 ( 18.126 0.000 1.695) 18.205 3.735 ( 5.741 0.000 -17.666) 18.575 3.951 ( -4.457 0.000 0.393) 4.474 4.095 ( -11.041 0.000 -13.142) 17.164 4.173 ( -7.536 0.000 -7.638) 10.730 4.248 ( 13.726 0.000 11.161) 17.691 4.388 ( -5.487 0.000 -5.486) 7.759 4.396 ( 1.650 0.000 -0.540) 1.736 4.746 ( -11.496 0.000 -6.097) 13.013 4.864 ( 11.251 0.000 1.992) 11.426 5.048 ( -12.468 0.000 -1.889) 12.610 5.063 ( 8.463 0.000 -0.116) 8.463 5.148 ( 3.628 0.000 3.142) 4.799 5.270 ( 0.143 0.000 3.536) 3.539 5.387 ( -5.586 0.000 7.901) 9.676 5.431 ( -4.564 0.000 -9.640) 10.666 5.601 ( 8.342 0.000 -4.103) 9.297 5.664 ( 7.126 0.000 6.819) 9.863 5.737 ( -6.963 0.000 4.626) 8.360 5.788 ( 3.022 0.000 -4.949) 5.799 5.799 ( -2.347 0.000 5.580) 6.054 6.051 ( 11.791 0.000 -3.310) 12.246 6.057 ( 3.502 0.000 0.784) 3.589 6.230 ( -10.668 0.000 7.558) 13.074 6.307 ( -5.502 0.000 0.730) 5.550 6.433 ( 15.315 0.000 -9.965) 18.271 6.570 ( -2.289 0.000 -2.097) 3.104 6.749 ( -2.854 0.000 9.109) 9.546 6.754 ( 6.127 0.000 -2.895) 6.776 6.831 ( -1.911 0.000 7.546) 7.785 6.901 ( 2.518 0.000 -0.207) 2.526 7.126 ( -2.035 0.000 -4.826) 5.238 7.213 ( 0.290 0.000 -6.526) 6.533 7.371 ( 2.999 0.000 8.849) 9.343 7.377 ( -1.424 0.000 4.770) 4.978 7.413 ( 0.706 0.000 -3.254) 3.330 7.579 ( -9.854 0.000 -1.584) 9.980 7.812 ( 0.304 0.000 0.773) 0.831 7.877 ( -1.591 0.000 -3.637) 3.970 7.890 ( 1.333 0.000 1.834) 2.267 7.934 ( 2.064 0.000 5.652) 6.017 7.965 ( 11.336 0.000 -4.958) 12.373 8.166 ( 3.660 0.000 4.111) 5.504 8.269 ( 2.776 0.000 3.852) 4.748 8.390 ( -4.067 0.000 -2.815) 4.947 8.613 ( 0.068 0.000 -0.696) 0.699 8.701 ( -2.651 0.000 1.012) 2.838 9.053 ( -6.873 0.000 -6.295) 9.320 9.194 ( -6.127 0.000 3.148) 6.888 9.445 ( -4.989 0.000 -1.616) 5.244 9.565 ( -6.566 0.000 2.068) 6.884 9.735 ( -8.089 0.000 2.413) 8.442 10.265 ( -13.713 0.000 -10.267) 17.131 16.719 ( 0.614 0.000 3.202) 3.261 16.808 ( -1.654 0.000 2.050) 2.634 16.813 ( 1.398 0.000 3.596) 3.858 16.892 ( -1.434 0.000 -1.892) 2.374 17.027 ( -4.163 0.000 1.029) 4.288 17.103 ( 1.101 0.000 -3.842) 3.997 17.112 ( -0.659 0.000 0.256) 0.707 17.208 ( -1.318 0.000 -1.721) 2.168 22.544 ( 0.203 0.000 0.774) 0.800 22.564 ( -1.362 0.000 -0.344) 1.405 22.777 ( 0.173 0.000 1.031) 1.045 22.801 ( -0.861 0.000 -0.839) 1.202 26.414 ( 1.136 0.000 0.639) 1.303 26.452 ( -0.048 0.000 -0.809) 0.810 26.511 ( 0.715 0.000 0.524) 0.886 26.527 ( 0.192 0.000 0.263) 0.325 35.683 ( -0.924 0.000 -4.653) 4.744 35.812 ( 2.778 0.000 2.559) 3.777 35.977 ( 6.994 0.000 7.954) 10.592 36.012 ( -1.008 0.000 -9.540) 9.593 36.385 ( 16.488 0.000 -7.197) 17.990 36.698 ( 7.726 0.000 -8.044) 11.153 37.790 ( -2.676 0.000 -4.021) 4.830 37.839 ( 1.302 0.000 13.308) 13.371 ======================= Grid point 4 (5/136) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( 15.401 0.000 18.546) 24.107 2.264 ( 7.596 0.000 3.696) 8.447 2.437 ( 9.906 0.000 10.118) 14.160 2.516 ( 8.888 0.000 2.696) 9.288 2.758 ( 4.728 0.000 -8.854) 10.037 3.100 ( 1.945 0.000 9.506) 9.703 3.408 ( -4.325 0.000 6.427) 7.747 3.609 ( -2.265 0.000 -10.895) 11.128 3.769 ( -9.092 0.000 -12.647) 15.576 3.926 ( 2.122 0.000 -0.130) 2.126 4.004 ( -4.525 0.000 -5.201) 6.894 4.143 ( 15.237 0.000 8.207) 17.306 4.218 ( -0.966 0.000 -14.594) 14.626 4.409 ( -5.993 0.000 -0.573) 6.021 4.482 ( -8.072 0.000 -3.766) 8.907 4.592 ( 1.245 0.000 0.204) 1.261 4.852 ( 9.041 0.000 0.268) 9.045 5.063 ( 13.295 0.000 6.900) 14.978 5.073 ( -6.362 0.000 -2.671) 6.900 5.277 ( -3.541 0.000 -0.991) 3.677 5.278 ( -2.914 0.000 1.384) 3.226 5.332 ( -1.053 0.000 3.919) 4.058 5.372 ( 8.690 0.000 2.864) 9.149 5.661 ( 9.016 0.000 -7.042) 11.440 5.703 ( -5.489 0.000 7.704) 9.459 5.791 ( 4.256 0.000 -3.892) 5.767 5.835 ( 1.942 0.000 6.342) 6.633 5.997 ( 8.634 0.000 13.249) 15.814 6.064 ( -1.159 0.000 0.683) 1.345 6.097 ( -9.396 0.000 -2.990) 9.861 6.176 ( 5.864 0.000 -2.350) 6.318 6.255 ( -3.982 0.000 1.577) 4.283 6.506 ( -3.775 0.000 2.529) 4.544 6.534 ( 11.641 0.000 -10.370) 15.590 6.788 ( 3.702 0.000 -5.657) 6.761 6.829 ( 1.525 0.000 -2.287) 2.748 6.860 ( 0.326 0.000 4.182) 4.195 6.917 ( -1.799 0.000 3.703) 4.117 7.063 ( -7.102 0.000 -5.202) 8.804 7.142 ( 6.306 0.000 -0.040) 6.307 7.363 ( -2.202 0.000 -0.514) 2.261 7.384 ( -8.043 0.000 -4.541) 9.236 7.426 ( -2.846 0.000 6.860) 7.427 7.553 ( 7.542 0.000 1.407) 7.672 7.711 ( -6.481 0.000 -2.521) 6.954 7.805 ( -2.313 0.000 1.775) 2.915 7.926 ( -1.183 0.000 3.540) 3.733 8.025 ( 4.632 0.000 1.310) 4.814 8.186 ( 11.048 0.000 -0.593) 11.064 8.230 ( -0.797 0.000 -2.667) 2.783 8.324 ( 0.702 0.000 2.214) 2.323 8.355 ( 3.932 0.000 2.495) 4.657 8.645 ( 5.340 0.000 1.538) 5.557 8.660 ( -3.099 0.000 -0.594) 3.155 8.865 ( -7.287 0.000 -6.385) 9.689 9.167 ( -2.485 0.000 4.327) 4.990 9.352 ( -3.957 0.000 -1.811) 4.352 9.465 ( -5.550 0.000 -1.681) 5.798 9.659 ( -6.708 0.000 5.894) 8.930 9.914 ( -16.901 0.000 -9.120) 19.205 16.760 ( 0.500 0.000 2.898) 2.940 16.792 ( -2.100 0.000 0.932) 2.298 16.847 ( -0.891 0.000 1.839) 2.044 16.865 ( -0.322 0.000 -0.720) 0.789 16.974 ( -3.335 0.000 0.718) 3.411 17.085 ( 1.088 0.000 -2.866) 3.066 17.113 ( -0.089 0.000 0.245) 0.261 17.190 ( 0.939 0.000 -0.410) 1.025 22.543 ( -0.818 0.000 -0.359) 0.893 22.554 ( 0.136 0.000 0.559) 0.576 22.781 ( -0.597 0.000 -0.687) 0.910 22.788 ( 0.089 0.000 0.596) 0.603 26.438 ( 0.934 0.000 0.514) 1.066 26.446 ( 0.139 0.000 -0.477) 0.496 26.525 ( -0.371 0.000 -0.244) 0.444 26.526 ( 0.478 0.000 0.355) 0.596 35.630 ( -0.136 0.000 -3.627) 3.630 35.872 ( 2.174 0.000 1.375) 2.572 35.904 ( -0.879 0.000 -7.506) 7.557 36.144 ( 4.385 0.000 5.553) 7.075 36.581 ( 13.433 0.000 -2.444) 13.653 36.696 ( 2.462 0.000 -6.223) 6.693 37.699 ( -4.045 0.000 -2.562) 4.788 38.022 ( 4.046 0.000 10.995) 11.716 ======================= Grid point 5 (6/136) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 1.247 0.000 0.030) 1.247 2.551 ( 0.057 0.000 -0.025) 0.062 2.571 ( 3.957 0.000 15.605) 16.099 2.648 ( 8.856 0.000 -7.573) 11.652 2.887 ( 8.411 0.000 2.014) 8.648 3.202 ( 0.113 0.000 4.347) 4.348 3.460 ( -3.045 0.000 8.303) 8.844 3.509 ( 0.746 0.000 -2.135) 2.262 3.572 ( -0.511 0.000 -3.368) 3.407 3.916 ( -2.566 0.000 -0.521) 2.618 3.944 ( -1.322 0.000 -3.598) 3.834 3.978 ( -5.164 0.000 -13.214) 14.187 4.198 ( -5.834 0.000 -1.406) 6.001 4.356 ( 0.843 0.000 5.340) 5.406 4.445 ( -0.877 0.000 -6.905) 6.961 4.487 ( 1.564 0.000 1.078) 1.900 4.900 ( -7.251 0.000 -2.664) 7.725 5.030 ( 6.897 0.000 -1.001) 6.969 5.212 ( -4.913 0.000 1.522) 5.143 5.229 ( -0.941 0.000 -0.675) 1.158 5.354 ( 0.288 0.000 0.466) 0.548 5.425 ( 8.278 0.000 5.326) 9.843 5.690 ( 22.306 0.000 8.399) 23.835 5.697 ( -2.644 0.000 4.895) 5.563 5.752 ( 5.764 0.000 -1.990) 6.098 5.799 ( 0.876 0.000 -0.844) 1.217 5.922 ( -4.519 0.000 -3.305) 5.599 5.942 ( 4.069 0.000 4.063) 5.750 6.074 ( -5.611 0.000 -0.824) 5.671 6.093 ( -2.795 0.000 -4.089) 4.953 6.183 ( -1.076 0.000 7.734) 7.809 6.275 ( 5.170 0.000 2.467) 5.728 6.504 ( -2.550 0.000 2.441) 3.530 6.546 ( -15.680 0.000 -14.199) 21.154 6.627 ( 6.457 0.000 -1.092) 6.548 6.764 ( 0.174 0.000 -3.991) 3.995 6.935 ( 0.244 0.000 0.396) 0.466 6.956 ( 6.133 0.000 1.180) 6.246 7.054 ( 1.755 0.000 2.796) 3.301 7.212 ( -5.976 0.000 -3.814) 7.089 7.239 ( 2.836 0.000 1.454) 3.187 7.324 ( -0.984 0.000 -1.386) 1.700 7.446 ( -1.801 0.000 2.996) 3.495 7.592 ( 0.355 0.000 -2.340) 2.367 7.685 ( 0.224 0.000 2.577) 2.586 7.784 ( -1.780 0.000 1.148) 2.118 7.931 ( -1.536 0.000 2.111) 2.610 8.096 ( 2.612 0.000 0.642) 2.689 8.185 ( 0.117 0.000 -2.203) 2.206 8.253 ( 0.822 0.000 -1.483) 1.695 8.355 ( 0.860 0.000 0.685) 1.100 8.469 ( 4.290 0.000 3.709) 5.671 8.580 ( -3.365 0.000 -4.481) 5.604 8.733 ( -3.204 0.000 -1.231) 3.432 8.811 ( 7.841 0.000 3.329) 8.519 9.196 ( 0.667 0.000 2.991) 3.064 9.300 ( 0.200 0.000 -0.952) 0.973 9.380 ( -2.404 0.000 -1.139) 2.660 9.569 ( -13.410 0.000 -6.022) 14.701 9.635 ( -2.469 0.000 2.832) 3.757 16.773 ( -0.751 0.000 0.149) 0.765 16.797 ( 0.862 0.000 1.928) 2.112 16.832 ( -1.438 0.000 -0.476) 1.515 16.859 ( -0.129 0.000 -0.049) 0.138 16.941 ( -1.288 0.000 0.255) 1.313 17.077 ( 0.442 0.000 -1.067) 1.155 17.110 ( -0.172 0.000 -0.093) 0.195 17.214 ( 1.004 0.000 0.465) 1.107 22.531 ( -0.275 0.000 -0.141) 0.309 22.559 ( 0.042 0.000 0.194) 0.198 22.769 ( -0.205 0.000 -0.261) 0.332 22.793 ( 0.026 0.000 0.192) 0.194 26.446 ( 0.173 0.000 -0.102) 0.201 26.452 ( 0.365 0.000 0.196) 0.414 26.515 ( -0.331 0.000 -0.238) 0.407 26.533 ( 0.160 0.000 0.124) 0.202 35.603 ( 0.029 0.000 -1.368) 1.369 35.837 ( -0.358 0.000 -2.873) 2.895 35.907 ( 0.835 0.000 0.474) 0.960 36.229 ( 1.478 0.000 1.796) 2.326 36.671 ( 0.405 0.000 -2.217) 2.254 36.728 ( 5.575 0.000 -0.239) 5.580 37.624 ( -2.235 0.000 -1.010) 2.453 38.157 ( 1.973 0.000 4.187) 4.629 ======================= Grid point 11 (7/136) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 0.000 29.161 0.000) 29.161 0.627 ( 0.000 31.668 0.000) 31.668 1.093 ( 0.000 55.542 0.000) 55.542 2.034 ( 0.000 1.767 0.000) 1.767 2.229 ( 0.000 -3.928 0.000) 3.928 2.986 ( 0.000 -8.143 0.000) 8.143 3.117 ( 0.000 -6.159 0.000) 6.159 3.391 ( 0.000 8.091 0.000) 8.091 3.760 ( 0.000 -2.511 0.000) 2.511 3.793 ( 0.000 -11.008 0.000) 11.008 4.198 ( 0.000 1.583 0.000) 1.583 4.205 ( 0.000 5.909 0.000) 5.909 4.376 ( 0.000 4.767 0.000) 4.767 4.429 ( 0.000 -6.023 0.000) 6.023 4.565 ( 0.000 -1.352 0.000) 1.352 4.870 ( 0.000 -4.496 0.000) 4.496 5.000 ( 0.000 -2.558 0.000) 2.558 5.040 ( 0.000 -2.966 0.000) 2.966 5.066 ( 0.000 -6.767 0.000) 6.767 5.131 ( 0.000 -2.383 0.000) 2.383 5.237 ( 0.000 6.017 0.000) 6.017 5.308 ( 0.000 5.132 0.000) 5.132 5.345 ( 0.000 1.587 0.000) 1.587 5.359 ( 0.000 1.966 0.000) 1.966 5.545 ( 0.000 -2.095 0.000) 2.095 5.763 ( 0.000 -0.390 0.000) 0.390 5.867 ( 0.000 -4.758 0.000) 4.758 5.946 ( 0.000 3.865 0.000) 3.865 5.970 ( 0.000 -4.814 0.000) 4.814 6.158 ( 0.000 -1.613 0.000) 1.613 6.224 ( 0.000 1.476 0.000) 1.476 6.281 ( 0.000 3.348 0.000) 3.348 6.333 ( 0.000 1.057 0.000) 1.057 6.493 ( 0.000 -15.891 0.000) 15.891 6.496 ( 0.000 -0.684 0.000) 0.684 6.654 ( 0.000 3.951 0.000) 3.951 6.756 ( 0.000 -0.388 0.000) 0.388 6.953 ( 0.000 -2.636 0.000) 2.636 7.019 ( 0.000 -6.499 0.000) 6.499 7.179 ( 0.000 -1.602 0.000) 1.602 7.229 ( 0.000 0.475 0.000) 0.475 7.260 ( 0.000 9.662 0.000) 9.662 7.394 ( 0.000 -7.413 0.000) 7.413 7.473 ( 0.000 -0.096 0.000) 0.096 7.607 ( 0.000 0.307 0.000) 0.307 7.812 ( 0.000 -0.032 0.000) 0.032 7.914 ( 0.000 4.224 0.000) 4.224 7.985 ( 0.000 3.036 0.000) 3.036 8.082 ( 0.000 5.736 0.000) 5.736 8.125 ( 0.000 6.610 0.000) 6.610 8.278 ( 0.000 3.093 0.000) 3.093 8.595 ( 0.000 -5.577 0.000) 5.577 8.631 ( 0.000 3.710 0.000) 3.710 8.861 ( 0.000 5.748 0.000) 5.748 9.046 ( 0.000 -0.360 0.000) 0.360 9.459 ( 0.000 -12.294 0.000) 12.294 9.674 ( 0.000 -6.596 0.000) 6.596 9.679 ( 0.000 -0.796 0.000) 0.796 10.142 ( 0.000 13.905 0.000) 13.905 11.334 ( 0.000 -4.595 0.000) 4.595 16.647 ( 0.000 -0.130 0.000) 0.130 16.655 ( 0.000 -0.208 0.000) 0.208 16.791 ( 0.000 1.369 0.000) 1.369 16.996 ( 0.000 -1.083 0.000) 1.083 17.124 ( 0.000 0.159 0.000) 0.159 17.144 ( 0.000 0.140 0.000) 0.140 17.188 ( 0.000 1.036 0.000) 1.036 17.294 ( 0.000 -0.461 0.000) 0.461 22.562 ( 0.000 0.219 0.000) 0.219 22.685 ( 0.000 -2.152 0.000) 2.152 22.763 ( 0.000 1.687 0.000) 1.687 22.845 ( 0.000 -0.228 0.000) 0.228 26.372 ( 0.000 0.411 0.000) 0.411 26.453 ( 0.000 -1.224 0.000) 1.224 26.481 ( 0.000 0.197 0.000) 0.197 26.496 ( 0.000 0.690 0.000) 0.690 35.364 ( 0.000 0.031 0.000) 0.031 35.459 ( 0.000 -1.302 0.000) 1.302 35.722 ( 0.000 -0.303 0.000) 0.303 35.971 ( 0.000 5.516 0.000) 5.516 36.083 ( 0.000 -6.626 0.000) 6.626 36.317 ( 0.000 4.360 0.000) 4.360 37.309 ( 0.000 0.760 0.000) 0.760 37.683 ( 0.000 -4.263 0.000) 4.263 ======================= Grid point 12 (8/136) ======================= q-point: ( 0.09 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 16.692 21.529 4.142) 27.555 0.981 ( 28.401 21.336 8.808) 36.598 1.593 ( 36.617 32.382 23.673) 54.312 2.078 ( 4.267 1.971 1.643) 4.979 2.213 ( -3.394 -1.407 6.021) 7.054 2.953 ( -5.040 -5.418 3.194) 8.060 3.155 ( 5.949 -3.263 -7.608) 10.194 3.391 ( -1.639 2.715 5.698) 6.521 3.789 ( 6.954 -5.519 -7.543) 11.650 3.807 ( 2.158 -7.653 0.956) 8.009 4.203 ( -1.274 2.998 -0.645) 3.321 4.212 ( -0.281 1.502 2.625) 3.038 4.349 ( -2.807 1.263 -2.473) 3.949 4.428 ( 4.971 -4.006 -3.749) 7.404 4.538 ( 2.617 -1.042 -5.990) 6.619 4.880 ( -5.406 -0.471 -1.764) 5.707 4.956 ( -1.755 -6.448 2.805) 7.248 4.992 ( 1.591 0.794 -3.658) 4.067 5.046 ( -0.620 1.971 -0.337) 2.093 5.142 ( -1.834 -3.477 0.108) 3.933 5.229 ( -2.885 4.210 -2.781) 5.812 5.270 ( -4.227 0.028 9.136) 10.067 5.445 ( -0.090 1.525 14.440) 14.521 5.462 ( 6.892 0.312 0.142) 6.901 5.580 ( 2.210 -2.084 1.082) 3.225 5.718 ( -0.571 -2.600 -1.511) 3.061 5.856 ( -0.024 -0.997 -4.578) 4.686 5.902 ( -0.214 -0.048 -1.941) 1.953 6.045 ( -0.561 -2.024 -3.943) 4.467 6.119 ( 3.328 -5.555 -1.677) 6.689 6.252 ( -2.120 4.452 3.180) 5.867 6.271 ( -2.620 2.775 -5.706) 6.865 6.294 ( 0.810 -0.389 3.032) 3.162 6.492 ( 2.619 -6.881 1.292) 7.475 6.571 ( 2.399 -7.491 4.318) 8.973 6.635 ( 1.405 -0.701 -1.619) 2.255 6.821 ( -4.090 2.509 1.608) 5.060 6.829 ( -3.804 -2.519 4.399) 6.338 7.026 ( -2.073 -1.510 0.225) 2.575 7.220 ( 1.778 -10.229 6.040) 12.012 7.281 ( 3.150 7.809 0.573) 8.440 7.328 ( 4.171 -2.855 2.396) 5.593 7.414 ( 1.397 -7.113 0.097) 7.249 7.509 ( 0.850 -1.800 -1.371) 2.417 7.601 ( 5.956 3.350 -2.749) 7.366 7.817 ( 0.612 3.127 -0.323) 3.202 7.939 ( -4.227 3.347 1.275) 5.540 7.956 ( -0.005 -1.759 1.901) 2.590 8.057 ( -1.286 5.402 -0.491) 5.574 8.177 ( 0.011 6.620 3.450) 7.465 8.300 ( -0.075 6.008 2.145) 6.380 8.531 ( -1.990 -1.499 -4.175) 4.861 8.621 ( -1.333 2.405 0.738) 2.847 8.824 ( -3.567 7.438 3.195) 8.846 9.124 ( 3.113 -5.202 1.383) 6.219 9.450 ( -4.294 -9.730 3.648) 11.244 9.585 ( -6.619 -2.321 -2.164) 7.340 9.653 ( -3.949 -0.281 0.605) 4.005 10.070 ( -5.701 12.936 -2.809) 14.413 10.941 ( -14.357 9.104 -19.489) 25.862 16.656 ( 1.387 0.447 -0.624) 1.585 16.682 ( 0.823 -0.152 2.914) 3.032 16.797 ( 0.724 1.175 0.502) 1.468 16.980 ( -1.351 -0.919 -0.872) 1.852 17.121 ( -2.387 -0.515 0.401) 2.475 17.126 ( -0.012 -0.771 -1.469) 1.659 17.185 ( -1.108 1.289 0.586) 1.798 17.283 ( -1.327 -0.379 -0.133) 1.386 22.545 ( -0.575 0.998 -0.934) 1.483 22.636 ( -3.426 0.376 0.232) 3.454 22.756 ( -0.554 1.430 1.478) 2.130 22.842 ( -0.619 0.015 -0.041) 0.621 26.378 ( 0.521 0.367 0.202) 0.669 26.453 ( 0.141 -1.083 -0.353) 1.147 26.492 ( 0.341 0.499 1.034) 1.197 26.501 ( 0.240 0.503 0.631) 0.842 35.514 ( 4.525 -2.738 5.349) 7.522 35.696 ( 0.278 -4.821 -0.206) 4.834 35.802 ( 18.030 -9.313 -11.951) 23.551 35.994 ( 8.230 3.653 -5.296) 10.446 36.214 ( 7.191 -13.693 11.080) 19.025 36.349 ( 11.145 6.215 -9.969) 16.193 37.529 ( 11.301 -14.464 6.449) 19.456 37.690 ( -0.083 -5.076 2.804) 5.800 ======================= Grid point 13 (9/136) ======================= q-point: ( 0.18 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 21.095 5.927 14.439) 26.242 1.515 ( 22.963 17.686 14.222) 32.286 2.162 ( 6.193 0.165 2.330) 6.619 2.250 ( 1.077 0.065 9.063) 9.127 2.515 ( 34.349 7.201 19.074) 39.945 2.976 ( 5.836 6.472 9.428) 12.839 3.085 ( 1.821 4.503 -14.551) 15.341 3.447 ( 0.640 -7.696 2.246) 8.042 3.792 ( 3.903 -4.821 -9.076) 10.993 3.926 ( 9.254 -4.206 5.619) 11.615 4.117 ( -5.775 6.685 -4.258) 9.807 4.215 ( -2.331 -8.317 -1.303) 8.735 4.275 ( -0.168 -3.185 -3.900) 5.038 4.418 ( -2.099 -2.123 -9.962) 10.400 4.573 ( 5.336 3.368 2.760) 6.887 4.759 ( -5.205 1.340 -8.673) 10.203 4.889 ( -1.674 -0.693 -6.720) 6.960 4.982 ( 3.123 4.609 7.128) 9.044 5.053 ( -4.182 -1.660 2.903) 5.355 5.161 ( -2.456 -6.103 3.526) 7.464 5.197 ( 2.440 0.759 -0.670) 2.641 5.327 ( 0.119 2.828 6.233) 6.846 5.507 ( 1.185 1.327 3.082) 3.559 5.557 ( -1.369 -3.509 1.319) 3.991 5.647 ( 5.244 3.373 -5.158) 8.092 5.724 ( -1.230 -2.792 6.141) 6.857 5.768 ( -0.767 -2.428 -6.647) 7.118 5.903 ( 0.833 0.290 -5.500) 5.570 5.965 ( 1.314 3.131 3.324) 4.751 6.082 ( -2.129 3.507 -5.777) 7.085 6.268 ( 7.091 -2.862 0.309) 7.653 6.281 ( 3.060 -1.529 -1.754) 3.844 6.338 ( -4.322 0.209 6.901) 8.145 6.491 ( -4.540 -6.024 2.160) 7.847 6.659 ( -0.293 -6.891 5.171) 8.620 6.704 ( 7.867 -7.162 1.116) 10.697 6.756 ( -0.617 3.419 2.035) 4.027 6.850 ( -1.722 2.926 1.590) 3.750 7.032 ( 3.524 -6.379 -1.733) 7.491 7.249 ( -1.070 -0.206 -0.632) 1.259 7.333 ( 1.267 -1.120 -3.860) 4.214 7.411 ( -1.093 -2.204 5.904) 6.396 7.456 ( 6.603 -5.563 6.178) 10.617 7.482 ( -2.847 -0.729 -0.464) 2.976 7.705 ( 7.864 -1.909 -2.983) 8.625 7.808 ( -9.242 -0.810 -2.372) 9.576 7.856 ( 3.627 4.544 2.060) 6.168 7.995 ( 0.911 2.290 0.573) 2.530 8.052 ( -0.826 0.193 2.346) 2.494 8.201 ( 0.648 4.467 0.230) 4.520 8.239 ( -3.890 10.322 -3.666) 11.624 8.494 ( -0.469 2.444 -2.123) 3.271 8.645 ( 1.669 4.376 4.193) 6.286 8.807 ( -3.205 6.038 2.751) 7.369 9.125 ( -2.461 -4.324 -1.736) 5.269 9.355 ( -10.764 0.542 2.334) 11.028 9.506 ( -2.851 -4.451 1.222) 5.425 9.574 ( -6.296 -2.953 0.720) 6.992 9.928 ( -7.675 8.142 -3.381) 11.689 10.582 ( -11.217 1.835 -13.517) 17.661 16.677 ( 0.944 0.156 1.220) 1.550 16.737 ( 1.764 -0.542 3.168) 3.667 16.818 ( 0.249 1.386 1.584) 2.119 16.939 ( -1.963 -0.473 -1.433) 2.476 17.076 ( -3.758 -0.429 0.852) 3.877 17.102 ( -0.608 -1.105 -1.888) 2.270 17.166 ( -1.031 1.775 -0.454) 2.102 17.250 ( -2.003 -0.238 -0.932) 2.222 22.537 ( -0.041 0.406 0.197) 0.453 22.596 ( -1.905 0.159 -0.175) 1.920 22.768 ( -0.038 0.738 1.386) 1.571 22.826 ( -0.975 0.182 -0.470) 1.097 26.393 ( 0.902 0.218 0.420) 1.019 26.450 ( 0.163 -0.873 -0.586) 1.064 26.507 ( 0.294 0.899 0.655) 1.150 26.517 ( 0.555 0.244 1.030) 1.195 35.654 ( 0.930 -5.048 0.905) 5.212 35.684 ( 3.081 -3.225 4.670) 6.458 35.846 ( 4.774 -3.051 -6.066) 8.300 36.069 ( 6.755 4.959 -4.532) 9.526 36.340 ( 6.901 0.222 -3.380) 7.688 36.518 ( 18.188 -2.985 -9.108) 20.559 37.653 ( -0.647 -7.978 7.542) 10.998 37.750 ( 2.533 -8.004 0.817) 8.435 ======================= Grid point 14 (10/136) ======================= q-point: ( 0.27 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 17.964 -1.857 18.108) 25.574 2.006 ( 18.933 10.630 13.729) 25.689 2.272 ( 5.355 0.603 2.347) 5.878 2.400 ( 5.539 4.295 10.137) 12.324 2.857 ( 4.448 -5.157 0.198) 6.813 2.972 ( 0.101 4.972 -3.966) 6.361 3.373 ( 4.613 -1.793 4.705) 6.828 3.629 ( 23.500 2.718 0.861) 23.672 3.755 ( 10.374 4.572 -1.110) 11.391 3.942 ( -5.393 -1.907 -7.116) 9.130 4.103 ( -4.149 -3.714 -7.369) 9.236 4.180 ( -4.115 3.939 -5.999) 8.273 4.228 ( 12.430 -1.568 9.314) 15.612 4.304 ( -4.143 -2.719 -3.046) 5.817 4.468 ( -5.240 2.545 -4.976) 7.662 4.707 ( -10.055 -3.292 -5.000) 11.702 4.845 ( 8.299 -0.858 1.047) 8.409 4.994 ( -10.975 -3.726 0.869) 11.623 5.058 ( -1.276 -3.417 -3.992) 5.408 5.143 ( 5.657 2.062 0.500) 6.042 5.282 ( 5.567 -2.650 3.098) 6.900 5.362 ( -3.068 -0.151 1.689) 3.505 5.473 ( -3.146 2.890 -3.504) 5.525 5.582 ( 1.202 -6.174 3.352) 7.127 5.621 ( 4.772 3.927 -2.566) 6.692 5.715 ( 0.812 -4.040 -2.448) 4.794 5.832 ( 1.676 4.421 1.877) 5.087 5.857 ( -2.777 4.710 5.832) 7.994 6.077 ( 8.079 3.622 -1.145) 8.927 6.110 ( 6.180 1.736 3.982) 7.554 6.237 ( -5.774 0.598 2.145) 6.188 6.300 ( -7.032 -0.131 4.824) 8.529 6.438 ( 15.326 0.174 -7.322) 16.986 6.500 ( 2.815 -7.859 1.320) 8.452 6.644 ( -7.211 -4.092 2.737) 8.732 6.721 ( -1.342 -1.430 1.415) 2.418 6.838 ( 2.136 -1.147 4.123) 4.783 6.931 ( 7.291 -2.433 1.645) 7.860 7.036 ( 2.495 -3.012 -5.791) 6.988 7.243 ( -3.869 -2.013 -3.561) 5.631 7.293 ( 5.967 -0.495 0.514) 6.009 7.422 ( -4.012 1.451 1.133) 4.414 7.479 ( 0.177 3.420 4.117) 5.356 7.594 ( -8.905 1.244 -1.364) 9.094 7.675 ( 9.002 -13.411 3.187) 16.464 7.774 ( 3.096 -3.653 -1.138) 4.922 7.904 ( -2.783 -1.244 -1.193) 3.274 7.963 ( -0.859 2.578 -3.001) 4.049 8.051 ( -1.981 2.250 2.954) 4.209 8.204 ( 1.025 -0.825 -2.812) 3.104 8.233 ( 5.550 7.862 1.234) 9.702 8.476 ( 0.831 7.662 -0.109) 7.707 8.717 ( 0.934 8.175 2.725) 8.667 8.767 ( -4.175 4.280 1.236) 6.105 9.029 ( -4.693 -1.986 -4.506) 6.802 9.216 ( -9.031 1.636 3.159) 9.706 9.444 ( -5.446 0.006 -1.319) 5.604 9.507 ( -4.975 -5.840 4.082) 8.690 9.764 ( -9.093 3.270 -1.576) 9.790 10.256 ( -13.984 -1.028 -10.394) 17.454 16.711 ( 0.727 -0.586 2.444) 2.616 16.788 ( 0.368 -1.378 1.953) 2.419 16.834 ( -0.858 1.379 2.621) 3.083 16.898 ( -0.963 0.397 -1.262) 1.636 17.023 ( -3.887 -0.233 0.868) 3.990 17.074 ( -0.684 -1.238 -1.279) 1.907 17.150 ( 0.062 1.985 -1.126) 2.283 17.208 ( -1.193 0.037 -1.411) 1.848 22.542 ( 0.099 -0.040 0.517) 0.528 22.568 ( -1.146 0.253 -0.365) 1.229 22.780 ( 0.013 0.355 0.968) 1.031 22.804 ( -0.962 0.238 -0.672) 1.197 26.414 ( 1.042 -0.019 0.503) 1.157 26.446 ( 0.170 -0.524 -0.627) 0.835 26.516 ( 0.075 0.458 0.599) 0.758 26.533 ( 0.354 0.505 0.497) 0.792 35.614 ( -0.836 -5.002 -3.287) 6.043 35.807 ( 2.765 -3.573 3.407) 5.658 35.852 ( 2.881 -6.062 -5.372) 8.597 36.147 ( 5.913 11.202 1.818) 12.796 36.435 ( 9.095 -1.952 -3.620) 9.982 36.665 ( 13.110 1.386 -10.317) 16.740 37.733 ( 1.950 -5.298 -0.570) 5.674 37.785 ( -1.137 -5.446 11.229) 12.532 ======================= Grid point 15 (11/136) ======================= q-point: ( 0.36 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 11.469 -7.029 17.536) 22.101 2.279 ( 3.627 0.624 2.675) 4.550 2.485 ( 15.312 3.672 6.240) 16.938 2.618 ( 7.727 8.822 7.259) 13.792 2.849 ( 7.042 7.253 -7.380) 12.516 3.050 ( 1.178 -3.016 9.122) 9.680 3.443 ( 1.163 3.062 5.181) 6.130 3.597 ( -2.250 1.124 -6.019) 6.524 3.846 ( 2.334 -7.789 -4.726) 9.405 3.864 ( -8.974 4.966 -10.112) 14.403 4.026 ( -2.615 3.383 -6.715) 7.961 4.155 ( -5.062 -2.831 -4.528) 7.358 4.216 ( 11.193 2.904 -0.227) 11.565 4.382 ( -6.012 -2.466 0.236) 6.503 4.476 ( -6.281 -0.614 -3.385) 7.161 4.567 ( 2.917 -2.054 -0.602) 3.618 4.849 ( 6.433 -2.122 1.893) 7.033 4.954 ( 1.342 -6.029 0.027) 6.177 5.007 ( 2.016 -5.009 2.617) 6.000 5.202 ( 1.861 -5.558 -2.669) 6.441 5.273 ( -8.648 -0.748 2.460) 9.023 5.345 ( 0.539 4.445 -2.560) 5.158 5.507 ( 5.303 1.272 7.515) 9.285 5.622 ( 2.332 4.005 -4.010) 6.129 5.688 ( 7.722 -3.925 0.021) 8.662 5.792 ( 7.493 -7.502 2.272) 10.844 5.814 ( -1.859 -1.993 -0.795) 2.839 5.954 ( -0.177 8.354 9.898) 12.954 6.139 ( -3.485 4.147 -0.355) 5.429 6.163 ( -1.928 3.369 4.708) 6.102 6.240 ( 1.845 6.218 1.653) 6.693 6.325 ( 6.417 2.719 1.462) 7.121 6.485 ( -1.584 1.698 -3.045) 3.829 6.544 ( 0.845 -1.177 -1.891) 2.382 6.622 ( 7.238 -10.722 -2.339) 13.146 6.755 ( 1.364 -2.335 4.760) 5.474 6.869 ( 0.460 -1.119 -8.530) 8.615 6.993 ( 2.201 1.538 1.522) 3.087 7.075 ( -2.328 0.550 0.261) 2.406 7.148 ( 3.352 0.222 -1.328) 3.613 7.365 ( -4.433 -0.726 -0.982) 4.598 7.390 ( -2.264 -0.582 -1.171) 2.614 7.434 ( -1.775 3.525 0.695) 4.007 7.501 ( 0.061 -3.852 1.557) 4.155 7.746 ( -4.697 1.861 -2.160) 5.494 7.807 ( 1.198 0.296 1.632) 2.046 7.913 ( 7.368 -7.559 0.029) 10.556 7.942 ( -0.460 -9.941 -0.654) 9.973 8.073 ( 2.429 2.082 4.186) 5.269 8.188 ( 0.069 -3.836 -2.442) 4.548 8.329 ( 2.407 6.785 2.067) 7.490 8.533 ( 4.565 6.778 1.136) 8.251 8.675 ( -3.339 1.114 -2.161) 4.131 8.755 ( 0.053 9.785 0.801) 9.818 8.910 ( -3.968 3.474 -3.460) 6.307 9.151 ( -4.433 -0.968 4.547) 6.424 9.349 ( -4.069 -0.445 -0.917) 4.195 9.452 ( -5.080 -0.887 -0.539) 5.184 9.628 ( -7.473 -2.753 1.883) 8.183 9.924 ( -15.192 0.531 -7.158) 16.802 16.747 ( 0.454 -0.980 2.447) 2.675 16.786 ( -1.012 -0.880 0.042) 1.342 16.843 ( -1.424 0.332 1.948) 2.436 16.884 ( -0.147 1.075 -0.253) 1.114 16.973 ( -3.163 -0.017 0.564) 3.213 17.057 ( -0.005 -1.664 -0.840) 1.863 17.136 ( -0.417 1.259 -1.185) 1.778 17.201 ( 1.300 0.854 -0.152) 1.563 22.543 ( -0.458 0.080 -0.093) 0.474 22.556 ( -0.087 0.216 0.246) 0.339 22.783 ( -0.595 0.216 -0.595) 0.868 22.789 ( -0.080 0.129 0.544) 0.565 26.434 ( 0.775 -0.348 0.299) 0.901 26.444 ( 0.262 -0.182 -0.366) 0.486 26.522 ( -0.080 0.104 0.446) 0.465 26.538 ( -0.038 0.645 -0.046) 0.648 35.572 ( -0.178 -4.672 -2.984) 5.547 35.802 ( 0.173 -8.530 -5.408) 10.101 35.875 ( 1.961 0.162 0.934) 2.178 36.273 ( 4.670 11.591 3.703) 13.033 36.525 ( 4.730 -8.979 -1.493) 10.257 36.751 ( 10.159 8.261 -7.187) 14.937 37.698 ( -2.290 -0.527 -1.856) 2.994 37.947 ( 3.546 -7.520 10.737) 13.580 ======================= Grid point 16 (12/136) ======================= q-point: ( 0.45 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 0.619 -1.483 1.023) 1.905 2.363 ( 2.435 -8.805 6.651) 11.300 2.703 ( 6.393 6.971 -1.014) 9.513 2.768 ( 5.531 7.905 3.772) 10.359 2.967 ( 7.589 8.362 -1.206) 11.357 3.137 ( -1.151 -4.968 5.326) 7.374 3.533 ( 1.972 5.278 5.628) 7.964 3.542 ( -0.742 5.172 2.092) 5.628 3.673 ( -2.105 8.090 -3.465) 9.049 3.869 ( -1.364 -6.035 -0.055) 6.187 3.933 ( -2.654 -0.383 -11.348) 11.661 3.966 ( -0.374 -0.212 -7.175) 7.188 4.119 ( -8.347 -5.196 -0.004) 9.833 4.329 ( -4.171 -3.608 1.915) 5.838 4.457 ( 0.397 -0.476 -3.528) 3.582 4.549 ( 4.896 6.334 0.800) 8.046 4.796 ( -6.598 -10.287 -2.283) 12.432 5.011 ( 5.559 -3.241 -0.706) 6.473 5.153 ( -2.734 -5.324 -1.279) 6.120 5.178 ( -4.750 -6.428 1.288) 8.096 5.280 ( 6.944 -5.007 7.006) 11.062 5.342 ( 1.724 -0.794 -2.149) 2.867 5.618 ( 2.290 -6.759 1.817) 7.364 5.681 ( 5.997 0.560 0.152) 6.025 5.722 ( -5.189 -4.117 -1.870) 6.883 5.863 ( 7.209 -1.932 3.910) 8.426 5.946 ( 8.064 3.030 -0.293) 8.619 6.054 ( -0.011 7.194 6.131) 9.452 6.092 ( -1.125 5.861 -3.678) 7.011 6.158 ( 2.434 8.316 8.624) 12.225 6.287 ( 0.930 10.179 1.741) 10.369 6.389 ( -0.554 5.866 -1.508) 6.082 6.447 ( -1.287 -4.386 -0.015) 4.571 6.548 ( -4.835 -5.517 -2.846) 7.869 6.608 ( -7.342 5.046 -7.537) 11.669 6.700 ( 5.730 -5.512 -3.554) 8.709 6.876 ( 4.153 -0.705 3.328) 5.368 6.994 ( -2.071 -1.505 -1.128) 2.797 7.078 ( 0.862 3.116 2.825) 4.294 7.220 ( -1.780 -0.864 -3.577) 4.088 7.255 ( 3.094 1.405 -1.088) 3.568 7.341 ( -3.080 0.523 0.367) 3.146 7.410 ( -2.700 -0.588 1.442) 3.117 7.571 ( 5.809 -2.981 -0.263) 6.535 7.663 ( -4.827 1.128 0.250) 4.964 7.840 ( -0.199 2.031 2.619) 3.320 7.937 ( -1.347 -0.108 1.332) 1.897 7.968 ( 5.851 -11.695 -3.980) 13.669 8.108 ( -4.483 -4.207 -0.633) 6.180 8.236 ( 5.453 -4.057 2.542) 7.257 8.355 ( -0.715 4.594 1.086) 4.774 8.555 ( -1.261 1.132 -0.259) 1.714 8.645 ( 1.093 8.080 -1.974) 8.389 8.802 ( 3.757 0.127 1.189) 3.943 8.845 ( -1.518 9.142 -0.469) 9.279 9.151 ( -1.034 -3.572 2.783) 4.645 9.310 ( -0.291 0.948 -0.082) 0.995 9.352 ( -3.857 -2.087 -2.085) 4.856 9.540 ( -4.440 -1.607 -1.953) 5.109 9.685 ( -7.030 2.771 -0.091) 7.557 16.764 ( -0.520 -0.727 0.597) 1.075 16.785 ( 0.732 -1.137 0.397) 1.409 16.832 ( -1.233 0.447 0.494) 1.402 16.880 ( -0.118 1.282 -0.151) 1.296 16.940 ( -1.255 0.026 0.185) 1.269 17.054 ( 0.192 -1.893 -0.333) 1.931 17.120 ( -0.252 0.962 -0.446) 1.090 17.225 ( 0.918 0.739 0.320) 1.221 22.535 ( -0.214 0.402 -0.099) 0.466 22.560 ( 0.040 0.044 0.158) 0.169 22.771 ( -0.224 0.231 -0.242) 0.402 22.792 ( -0.016 -0.039 0.179) 0.184 26.443 ( 0.358 -0.611 -0.069) 0.712 26.446 ( 0.069 -0.100 0.052) 0.132 26.523 ( -0.067 0.582 0.168) 0.609 26.535 ( -0.090 0.185 -0.118) 0.237 35.548 ( 0.010 -4.508 -1.182) 4.660 35.757 ( -0.128 -7.180 -2.337) 7.552 35.904 ( 0.728 -0.214 0.347) 0.834 36.350 ( 1.604 10.493 1.126) 10.674 36.556 ( 0.927 -9.455 -0.332) 9.506 36.830 ( 4.643 8.886 -2.035) 10.231 37.649 ( -1.530 1.746 -0.676) 2.418 38.075 ( 1.840 -8.280 4.027) 9.389 ======================= Grid point 22 (13/136) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 0.000 25.731 0.000) 25.731 1.197 ( 0.000 27.106 0.000) 27.106 1.942 ( 0.000 10.407 0.000) 10.407 2.107 ( 0.000 -3.475 0.000) 3.475 2.220 ( 0.000 31.610 0.000) 31.610 2.824 ( 0.000 -7.965 0.000) 7.965 2.992 ( 0.000 -4.219 0.000) 4.219 3.549 ( 0.000 6.457 0.000) 6.457 3.654 ( 0.000 -1.322 0.000) 1.322 3.711 ( 0.000 -2.210 0.000) 2.210 4.156 ( 0.000 -5.527 0.000) 5.527 4.257 ( 0.000 -1.006 0.000) 1.006 4.372 ( 0.000 -3.168 0.000) 3.168 4.415 ( 0.000 -3.301 0.000) 3.301 4.535 ( 0.000 -1.278 0.000) 1.278 4.712 ( 0.000 -5.916 0.000) 5.916 4.888 ( 0.000 -8.525 0.000) 8.525 4.950 ( 0.000 -1.991 0.000) 1.991 5.048 ( 0.000 0.494 0.000) 0.494 5.087 ( 0.000 -1.508 0.000) 1.508 5.348 ( 0.000 1.077 0.000) 1.077 5.369 ( 0.000 5.409 0.000) 5.409 5.393 ( 0.000 1.310 0.000) 1.310 5.451 ( 0.000 7.265 0.000) 7.265 5.500 ( 0.000 -2.967 0.000) 2.967 5.673 ( 0.000 -13.135 0.000) 13.135 5.790 ( 0.000 3.470 0.000) 3.470 5.879 ( 0.000 -10.257 0.000) 10.257 5.898 ( 0.000 -4.320 0.000) 4.320 6.145 ( 0.000 -12.114 0.000) 12.114 6.227 ( 0.000 7.652 0.000) 7.652 6.257 ( 0.000 0.552 0.000) 0.552 6.345 ( 0.000 2.953 0.000) 2.953 6.393 ( 0.000 2.292 0.000) 2.292 6.502 ( 0.000 1.447 0.000) 1.447 6.732 ( 0.000 -3.580 0.000) 3.580 6.742 ( 0.000 4.836 0.000) 4.836 6.891 ( 0.000 -3.082 0.000) 3.082 6.924 ( 0.000 -1.756 0.000) 1.756 7.176 ( 0.000 0.833 0.000) 0.833 7.178 ( 0.000 -1.357 0.000) 1.357 7.272 ( 0.000 -4.345 0.000) 4.345 7.453 ( 0.000 -1.747 0.000) 1.747 7.591 ( 0.000 17.983 0.000) 17.983 7.615 ( 0.000 1.030 0.000) 1.030 7.750 ( 0.000 -8.911 0.000) 8.911 7.939 ( 0.000 -1.931 0.000) 1.931 7.983 ( 0.000 2.680 0.000) 2.680 8.178 ( 0.000 1.214 0.000) 1.214 8.253 ( 0.000 5.493 0.000) 5.493 8.327 ( 0.000 1.674 0.000) 1.674 8.609 ( 0.000 7.936 0.000) 7.936 8.742 ( 0.000 6.756 0.000) 6.756 9.003 ( 0.000 8.492 0.000) 8.492 9.032 ( 0.000 -1.322 0.000) 1.322 9.171 ( 0.000 -16.586 0.000) 16.586 9.539 ( 0.000 -7.494 0.000) 7.494 9.614 ( 0.000 -5.644 0.000) 5.644 10.438 ( 0.000 16.082 0.000) 16.082 11.205 ( 0.000 -8.732 0.000) 8.732 16.644 ( 0.000 -0.103 0.000) 0.103 16.650 ( 0.000 -0.274 0.000) 0.274 16.827 ( 0.000 2.272 0.000) 2.272 16.966 ( 0.000 -1.920 0.000) 1.920 17.129 ( 0.000 0.392 0.000) 0.392 17.146 ( 0.000 0.052 0.000) 0.052 17.212 ( 0.000 1.424 0.000) 1.424 17.282 ( 0.000 -0.834 0.000) 0.834 22.569 ( 0.000 0.560 0.000) 0.560 22.645 ( 0.000 -2.010 0.000) 2.010 22.791 ( 0.000 1.298 0.000) 1.298 22.838 ( 0.000 -0.439 0.000) 0.439 26.383 ( 0.000 0.647 0.000) 0.647 26.431 ( 0.000 -1.091 0.000) 1.091 26.486 ( 0.000 0.378 0.000) 0.378 26.504 ( 0.000 0.153 0.000) 0.153 35.366 ( 0.000 0.233 0.000) 0.233 35.427 ( 0.000 -1.785 0.000) 1.785 35.731 ( 0.000 1.317 0.000) 1.317 35.959 ( 0.000 -6.133 0.000) 6.133 36.102 ( 0.000 7.698 0.000) 7.698 36.372 ( 0.000 1.074 0.000) 1.074 37.332 ( 0.000 1.655 0.000) 1.655 37.577 ( 0.000 -6.324 0.000) 6.324 ======================= Grid point 23 (14/136) ======================= q-point: ( 0.09 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 7.958 24.565 -2.301) 25.924 1.399 ( 26.765 21.671 3.497) 34.616 2.011 ( 3.831 0.182 4.967) 6.276 2.149 ( 1.917 -1.792 4.730) 5.409 2.346 ( 7.151 25.110 10.192) 28.027 2.876 ( 3.080 -2.194 7.725) 8.601 3.054 ( 8.380 -1.116 -1.139) 8.530 3.494 ( -3.760 5.592 -3.276) 7.493 3.673 ( 1.968 -1.724 0.367) 2.642 3.731 ( 1.680 -2.287 1.881) 3.404 4.123 ( -2.700 -4.970 -1.616) 5.882 4.269 ( 1.757 -3.208 -9.393) 10.080 4.299 ( 4.176 -6.562 -5.537) 9.548 4.412 ( 0.558 1.334 -5.638) 5.820 4.564 ( -0.984 3.747 6.046) 7.181 4.720 ( -0.876 -11.809 -0.244) 11.844 4.919 ( -0.556 -5.674 6.635) 8.748 4.937 ( -1.022 -0.099 5.671) 5.763 5.041 ( -2.103 -0.897 -0.578) 2.359 5.112 ( 1.190 -0.637 -1.989) 2.404 5.285 ( -0.906 4.515 -4.244) 6.262 5.348 ( -1.300 5.525 1.862) 5.974 5.457 ( 4.932 0.354 -0.386) 4.960 5.480 ( 0.341 -2.364 2.951) 3.796 5.584 ( 3.613 1.822 4.548) 6.087 5.735 ( -2.039 4.232 0.199) 4.702 5.763 ( 7.198 -11.160 4.310) 13.962 5.830 ( -1.649 -4.295 -1.603) 4.872 5.950 ( 3.538 -6.289 -5.416) 9.022 6.067 ( 0.638 -3.909 -11.527) 12.188 6.175 ( -3.386 -4.074 0.118) 5.298 6.323 ( 4.689 2.662 0.799) 5.451 6.383 ( -2.502 6.941 -2.312) 7.732 6.408 ( 2.713 -1.588 0.997) 3.298 6.486 ( -2.894 -0.992 9.232) 9.726 6.625 ( -5.163 -0.034 -1.457) 5.365 6.801 ( 2.653 -2.946 -1.843) 4.371 6.848 ( -3.211 -2.758 1.155) 4.387 6.953 ( 0.736 0.322 3.059) 3.162 7.111 ( -3.892 -1.069 0.569) 4.076 7.273 ( 7.440 -2.545 -0.473) 7.878 7.324 ( 0.631 -1.836 6.446) 6.732 7.443 ( 0.000 3.477 -2.856) 4.500 7.490 ( -2.301 0.202 -3.933) 4.561 7.697 ( 1.697 6.545 1.212) 6.869 7.780 ( 1.668 -10.604 -1.503) 10.839 7.880 ( -1.363 2.362 -0.466) 2.766 7.982 ( -0.941 1.393 -0.445) 1.739 8.175 ( -0.845 4.305 2.036) 4.836 8.307 ( 0.178 4.902 -2.254) 5.399 8.398 ( 6.715 3.703 7.917) 11.022 8.576 ( -1.809 8.202 -2.157) 8.672 8.715 ( -2.437 6.877 -0.132) 7.297 8.982 ( -3.170 6.365 0.738) 7.149 9.054 ( 1.073 -3.048 1.099) 3.413 9.200 ( -0.569 -13.519 6.164) 14.869 9.476 ( -4.626 -7.006 -2.886) 8.878 9.610 ( -2.882 -4.580 1.930) 5.745 10.350 ( -7.083 15.110 -5.156) 17.466 10.983 ( -14.075 -3.380 -13.796) 19.997 16.660 ( 1.669 0.121 0.001) 1.673 16.677 ( 1.263 -0.374 2.177) 2.544 16.828 ( 0.559 2.046 -0.003) 2.121 16.955 ( -0.887 -1.676 -0.817) 2.065 17.114 ( -1.716 -0.059 -0.307) 1.744 17.122 ( -2.537 -0.072 0.165) 2.543 17.211 ( -1.068 1.392 0.959) 2.000 17.273 ( -1.307 -0.690 0.182) 1.489 22.559 ( -0.452 0.718 -0.788) 1.158 22.624 ( -1.575 -1.223 -0.758) 2.134 22.785 ( -0.884 1.464 0.928) 1.945 22.838 ( -0.517 -0.399 0.346) 0.739 26.388 ( 0.501 0.603 0.043) 0.785 26.433 ( 0.285 -0.977 -0.194) 1.037 26.499 ( 0.295 0.313 1.578) 1.636 26.508 ( 0.054 0.217 0.802) 0.833 35.456 ( 5.073 -2.453 3.911) 6.859 35.561 ( 10.349 -6.020 -1.623) 12.082 35.735 ( 3.682 0.376 -1.408) 3.960 35.999 ( 1.648 -8.731 6.663) 11.106 36.141 ( 6.929 8.952 -2.834) 11.670 36.435 ( 11.637 2.204 -6.721) 13.618 37.394 ( 4.268 -2.308 3.829) 6.181 37.576 ( -1.611 -6.506 2.868) 7.291 ======================= Grid point 24 (15/136) ======================= q-point: ( 0.18 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 13.131 16.148 4.608) 21.317 1.864 ( 21.156 16.853 6.791) 27.887 2.150 ( 7.744 -1.250 3.694) 8.670 2.269 ( 4.080 2.046 9.450) 10.495 2.549 ( 3.672 -2.520 10.927) 11.799 3.036 ( 4.471 -7.722 1.505) 9.049 3.305 ( 21.377 19.713 -0.292) 29.080 3.407 ( 2.623 4.949 -1.603) 5.826 3.716 ( 2.230 -0.855 2.284) 3.305 3.819 ( 2.612 -4.680 5.358) 7.579 4.053 ( -3.338 -6.744 -0.336) 7.532 4.173 ( 0.111 -5.821 -5.653) 8.115 4.279 ( 0.009 7.486 -8.924) 11.648 4.386 ( 5.144 -3.018 -8.860) 10.681 4.644 ( 3.069 3.436 6.588) 8.039 4.677 ( -2.595 -7.660 -2.553) 8.481 4.918 ( -4.119 0.417 -10.995) 11.748 4.973 ( -6.994 -7.917 8.548) 13.589 5.024 ( -2.429 -2.550 -1.637) 3.884 5.065 ( 4.950 3.716 7.663) 9.851 5.246 ( -1.857 2.650 -5.238) 6.157 5.399 ( 2.917 4.745 0.972) 5.654 5.467 ( -5.383 -4.151 5.747) 8.901 5.517 ( 2.702 0.241 -0.402) 2.743 5.669 ( 2.917 -1.324 0.752) 3.290 5.710 ( -1.826 -2.903 -6.241) 7.121 5.837 ( 6.016 9.151 1.734) 11.088 5.884 ( 3.956 -1.885 -2.444) 5.018 5.971 ( 7.774 -2.388 3.632) 8.906 6.074 ( 3.271 -7.107 -5.060) 9.317 6.118 ( -0.774 -6.703 2.354) 7.146 6.279 ( -0.903 1.933 -3.448) 4.055 6.373 ( -3.012 2.833 4.382) 6.025 6.481 ( -0.393 0.550 7.624) 7.654 6.552 ( 2.427 -4.917 -3.500) 6.505 6.563 ( -1.496 -0.450 6.838) 7.014 6.793 ( -0.765 -0.626 0.195) 1.007 6.880 ( 3.835 -4.797 0.090) 6.143 6.954 ( -1.497 1.660 -1.147) 2.512 7.142 ( 6.422 -5.582 1.901) 8.719 7.302 ( -0.446 -1.599 -3.124) 3.537 7.364 ( -0.831 0.903 0.034) 1.228 7.437 ( -0.958 -3.986 -1.492) 4.363 7.484 ( 4.621 -0.272 1.773) 4.957 7.695 ( 0.653 -1.028 -2.049) 2.384 7.727 ( -3.753 -5.152 -1.898) 6.651 7.899 ( -1.699 1.667 1.092) 2.619 7.969 ( 1.204 -1.327 -1.935) 2.637 8.167 ( -1.107 6.159 0.995) 6.336 8.297 ( 0.216 10.017 -2.054) 10.228 8.455 ( -1.710 9.518 -1.844) 9.845 8.619 ( 1.835 7.976 3.964) 9.094 8.713 ( 2.342 3.008 4.717) 6.065 8.913 ( -5.881 2.542 -0.077) 6.407 9.054 ( -2.128 -3.270 -0.458) 3.928 9.275 ( -2.267 -8.234 11.169) 14.060 9.361 ( -4.774 -6.049 -3.198) 8.343 9.551 ( -6.732 -1.935 1.639) 7.194 10.130 ( -10.950 11.734 -7.744) 17.821 10.589 ( -14.943 -1.717 -14.380) 20.809 16.684 ( 0.930 0.540 0.448) 1.165 16.725 ( 1.459 -0.701 2.368) 2.869 16.846 ( 0.698 1.484 0.955) 1.897 16.925 ( -1.279 -0.956 -1.060) 1.916 17.070 ( -3.545 -0.108 0.741) 3.623 17.086 ( -1.821 -0.623 -0.330) 1.952 17.197 ( -1.404 1.374 0.356) 1.996 17.244 ( -2.037 -0.416 -0.451) 2.127 22.547 ( -0.243 0.619 -0.336) 0.745 22.592 ( -1.305 -0.543 -0.675) 1.567 22.786 ( -0.516 1.054 1.118) 1.620 22.827 ( -1.047 -0.126 -0.007) 1.055 26.399 ( 0.771 0.417 0.177) 0.895 26.434 ( 0.272 -0.763 -0.338) 0.878 26.520 ( -0.045 0.435 1.089) 1.174 26.523 ( 0.418 0.312 1.600) 1.683 35.574 ( 0.800 -3.231 0.229) 3.336 35.595 ( 3.641 -4.882 0.285) 6.097 35.794 ( 4.413 -0.700 -2.665) 5.203 36.147 ( 6.241 -13.007 4.768) 15.194 36.253 ( 9.868 11.470 -2.322) 15.308 36.589 ( 18.816 4.371 -10.787) 22.125 37.503 ( 2.325 -6.080 5.639) 8.612 37.602 ( -0.162 -7.506 4.927) 8.980 ======================= Grid point 25 (16/136) ======================= q-point: ( 0.27 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 12.122 5.859 12.261) 18.210 2.160 ( 6.664 1.200 6.640) 9.483 2.341 ( 10.881 9.726 5.137) 15.472 2.498 ( 9.844 5.341 12.228) 16.582 2.734 ( 6.205 -5.710 8.120) 11.706 3.079 ( 5.066 0.926 -3.925) 6.475 3.333 ( 4.365 1.868 -3.622) 5.972 3.646 ( 8.328 0.605 -6.254) 10.433 3.796 ( -4.935 -8.762 -3.603) 10.682 3.881 ( 6.533 -1.514 4.796) 8.245 4.127 ( 8.745 7.117 4.416) 12.109 4.165 ( 2.811 -3.169 -5.739) 7.134 4.266 ( 3.403 5.424 5.255) 8.283 4.321 ( 3.761 4.417 -5.811) 8.211 4.504 ( -11.345 1.436 -5.668) 12.763 4.648 ( -7.240 -2.537 -6.909) 10.324 4.845 ( 5.773 -1.234 -1.826) 6.179 4.925 ( -7.088 -4.287 0.978) 8.341 4.979 ( -2.249 -2.293 -1.056) 3.381 5.115 ( -1.987 -3.324 -6.408) 7.487 5.243 ( 5.202 -0.948 7.590) 9.250 5.367 ( -2.686 -0.854 -0.105) 2.820 5.470 ( -4.138 -4.164 1.311) 6.015 5.555 ( 1.091 6.322 -1.773) 6.656 5.604 ( 2.276 -4.095 0.099) 4.686 5.772 ( 0.807 5.887 1.872) 6.230 5.898 ( 0.892 1.838 -4.693) 5.119 5.908 ( 1.700 0.107 3.138) 3.571 6.106 ( 9.966 -1.623 -2.944) 10.518 6.125 ( 6.660 1.261 3.530) 7.642 6.206 ( 0.425 -7.171 5.713) 9.178 6.285 ( 0.169 1.994 6.604) 6.901 6.392 ( -1.533 -1.283 2.269) 3.024 6.491 ( 3.746 2.874 2.722) 5.450 6.574 ( -2.152 1.374 0.794) 2.674 6.703 ( 8.332 -8.775 1.838) 12.239 6.802 ( 0.385 2.471 2.168) 3.309 6.864 ( 0.658 -1.045 1.137) 1.678 7.011 ( 8.162 -1.180 -3.569) 8.986 7.227 ( 0.902 0.128 -5.687) 5.760 7.281 ( 2.352 -0.913 -1.005) 2.715 7.363 ( -0.391 -10.470 -3.003) 10.899 7.415 ( 4.830 -5.918 2.966) 8.195 7.527 ( -1.419 -2.487 -1.859) 3.414 7.648 ( -4.497 3.347 1.771) 5.879 7.723 ( 4.483 -1.829 -1.432) 5.049 7.852 ( -4.689 -1.616 2.076) 5.377 7.933 ( -0.329 -3.582 -5.696) 6.737 8.163 ( -3.784 8.469 0.684) 9.302 8.234 ( -1.970 5.594 -3.126) 6.705 8.471 ( 3.739 11.915 0.787) 12.513 8.623 ( -2.498 5.884 1.472) 6.560 8.799 ( -6.814 0.472 -1.178) 6.931 8.852 ( 5.136 4.129 5.089) 8.326 8.980 ( -4.246 -3.364 -2.873) 6.132 9.257 ( -6.901 2.754 3.313) 8.135 9.354 ( -3.077 -8.740 8.158) 12.345 9.448 ( -6.025 -0.242 0.640) 6.064 9.863 ( -11.995 6.830 -7.348) 15.637 10.220 ( -14.412 -2.982 -10.692) 18.191 16.705 ( 0.755 0.100 1.186) 1.410 16.760 ( 0.406 -1.418 1.036) 1.803 16.860 ( -0.869 1.228 1.719) 2.284 16.901 ( -0.470 -0.136 -0.580) 0.759 17.023 ( -3.476 0.246 0.944) 3.610 17.056 ( -1.803 -0.726 0.082) 1.945 17.179 ( -0.677 1.101 -0.681) 1.461 17.209 ( -0.908 -0.012 -0.653) 1.118 22.545 ( 0.032 0.300 0.148) 0.336 22.569 ( -0.751 -0.150 -0.453) 0.890 22.789 ( -0.350 0.546 0.766) 1.004 22.808 ( -1.076 0.123 -0.284) 1.120 26.415 ( 0.833 0.121 0.256) 0.880 26.435 ( 0.356 -0.536 -0.340) 0.728 26.527 ( -0.396 0.586 0.893) 1.139 26.542 ( 0.188 0.279 0.913) 0.974 35.534 ( -1.017 -2.936 -2.832) 4.204 35.653 ( 2.433 -7.697 -2.666) 8.501 35.841 ( 2.760 1.233 0.777) 3.121 36.253 ( 4.352 -12.719 -0.463) 13.451 36.399 ( 8.990 14.294 1.255) 16.933 36.782 ( 18.406 6.797 -10.560) 22.282 37.607 ( 3.626 -7.391 5.748) 10.040 37.653 ( -1.555 -7.318 6.528) 9.929 ======================= Grid point 26 (17/136) ======================= q-point: ( 0.36 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 7.457 -1.325 14.688) 16.526 2.266 ( 0.910 -2.588 4.298) 5.099 2.603 ( 12.937 8.556 6.748) 16.915 2.769 ( 8.473 5.618 6.736) 12.195 2.895 ( 6.946 -0.563 5.016) 8.587 3.139 ( 5.867 10.876 -1.703) 12.474 3.476 ( 13.432 -2.885 1.487) 13.819 3.666 ( -1.582 3.968 0.290) 4.282 3.675 ( -0.717 -4.876 -4.937) 6.976 3.867 ( -3.667 -4.189 -3.935) 6.818 4.072 ( -7.705 -3.022 -7.643) 11.265 4.125 ( 1.623 3.449 -12.341) 12.916 4.262 ( -7.601 0.331 -0.847) 7.655 4.331 ( -2.551 -1.896 4.493) 5.503 4.448 ( -4.520 -2.605 -5.605) 7.657 4.570 ( 3.752 2.628 -0.516) 4.610 4.759 ( -5.989 -3.675 -4.218) 8.196 4.894 ( 1.040 -0.947 0.465) 1.482 4.985 ( 4.293 1.210 5.837) 7.347 5.084 ( 0.846 -5.303 -4.577) 7.056 5.280 ( -6.387 1.764 1.995) 6.920 5.371 ( 2.719 -5.888 0.227) 6.490 5.447 ( 0.962 -8.407 1.025) 8.524 5.556 ( -2.575 2.377 5.358) 6.403 5.687 ( 5.660 1.130 -2.275) 6.204 5.810 ( 3.598 2.366 -3.685) 5.668 5.828 ( 3.492 5.448 2.135) 6.815 6.055 ( 5.428 -0.615 6.664) 8.617 6.179 ( 0.014 -0.507 2.212) 2.269 6.226 ( -0.321 2.984 4.806) 5.666 6.305 ( 4.619 -0.613 0.865) 4.740 6.365 ( -0.409 -0.651 -1.518) 1.701 6.388 ( 8.586 -3.018 0.320) 9.107 6.563 ( -1.093 1.876 4.060) 4.604 6.590 ( -0.105 5.119 1.254) 5.271 6.760 ( 4.681 0.120 1.993) 5.089 6.864 ( 2.387 2.955 -0.411) 3.821 6.983 ( 5.375 -2.904 -0.351) 6.119 7.075 ( 2.445 1.378 -2.032) 3.465 7.144 ( 0.682 -0.624 -4.360) 4.457 7.294 ( 0.320 -7.022 -0.916) 7.089 7.351 ( 3.135 -2.011 1.756) 4.118 7.422 ( -4.452 -2.883 -5.233) 7.451 7.552 ( 1.447 -0.431 -0.036) 1.511 7.660 ( 6.825 -3.628 -0.910) 7.783 7.758 ( 1.051 0.087 -0.778) 1.310 7.840 ( -1.196 -0.554 4.171) 4.374 7.879 ( 0.364 -2.726 -1.064) 2.949 8.058 ( -4.390 -0.171 -3.669) 5.724 8.182 ( -4.480 2.266 0.616) 5.058 8.512 ( -2.187 8.374 1.270) 8.747 8.587 ( -2.263 -0.622 -1.332) 2.698 8.720 ( 0.321 4.076 -0.639) 4.138 8.880 ( -2.969 -0.454 -2.895) 4.172 8.967 ( 3.218 4.789 2.863) 6.441 9.184 ( -7.526 4.818 4.338) 9.933 9.330 ( -2.979 -1.491 1.260) 3.562 9.432 ( -1.539 -2.523 4.168) 5.109 9.599 ( -11.181 1.765 -6.420) 13.013 9.913 ( -13.089 -2.057 -5.197) 14.232 16.732 ( 0.700 -0.491 1.479) 1.708 16.763 ( -0.089 -1.253 -0.290) 1.289 16.857 ( -1.586 0.883 1.510) 2.361 16.894 ( -0.119 -0.060 -0.179) 0.223 16.979 ( -2.848 0.687 0.535) 2.978 17.031 ( -1.415 -1.069 0.196) 1.785 17.158 ( -0.644 1.138 -0.872) 1.572 17.212 ( 1.157 0.121 0.057) 1.164 22.546 ( -0.084 0.267 0.080) 0.291 22.559 ( -0.153 0.049 -0.029) 0.163 22.788 ( -0.562 0.268 -0.316) 0.698 22.792 ( -0.451 0.160 0.359) 0.599 26.428 ( 0.542 -0.163 0.051) 0.568 26.439 ( 0.430 -0.295 -0.137) 0.539 26.528 ( -0.348 0.500 0.643) 0.886 26.547 ( -0.248 0.233 0.181) 0.386 35.494 ( -0.354 -2.887 -2.566) 3.879 35.636 ( 0.514 -7.842 -3.787) 8.723 35.885 ( 1.686 1.204 0.632) 2.167 36.289 ( 2.311 -12.569 -2.086) 12.948 36.552 ( 6.123 15.503 3.712) 17.077 36.936 ( 12.681 9.160 -7.774) 17.468 37.662 ( 0.158 -3.287 0.102) 3.292 37.755 ( 2.115 -11.432 9.863) 15.246 ======================= Grid point 27 (18/136) ======================= q-point: ( 0.45 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 2.124 -4.222 7.554) 8.910 2.298 ( -0.303 -1.618 1.046) 1.950 2.842 ( 7.407 5.379 4.528) 10.213 2.908 ( 4.876 7.983 0.192) 9.356 3.024 ( 2.730 -2.081 1.372) 3.697 3.223 ( 3.321 13.920 0.405) 14.317 3.593 ( 1.358 -0.033 -3.384) 3.647 3.665 ( -0.679 -0.511 9.956) 9.993 3.735 ( 4.269 0.421 1.215) 4.458 3.827 ( 4.802 4.682 -3.699) 7.659 3.877 ( -4.794 -3.109 -8.413) 10.170 4.007 ( 0.373 2.872 -9.000) 9.454 4.049 ( -11.630 -1.710 0.445) 11.763 4.280 ( -5.565 -1.210 1.788) 5.969 4.413 ( 1.803 -5.544 -3.142) 6.623 4.567 ( -5.277 -7.656 0.116) 9.299 4.652 ( 2.079 1.301 -0.541) 2.512 4.921 ( 3.202 -5.299 -1.958) 6.494 5.007 ( -4.308 -4.431 -2.101) 6.527 5.047 ( -3.738 -6.000 3.143) 7.736 5.295 ( 2.598 4.925 0.948) 5.649 5.415 ( 3.930 1.636 -0.139) 4.260 5.474 ( -0.017 -10.739 1.966) 10.917 5.520 ( -4.614 -6.328 0.018) 7.831 5.732 ( 3.320 3.528 -1.495) 5.070 5.836 ( 1.462 0.965 0.449) 1.809 6.031 ( 10.417 1.636 2.771) 10.903 6.149 ( -1.578 2.263 1.891) 3.344 6.206 ( 2.291 3.069 3.386) 5.112 6.254 ( -0.015 -5.480 1.448) 5.668 6.345 ( 0.139 3.682 5.282) 6.440 6.387 ( 2.426 -0.763 0.440) 2.581 6.487 ( -5.532 3.524 -5.250) 8.401 6.530 ( 10.605 -1.955 -6.115) 12.397 6.637 ( 0.871 8.055 3.157) 8.695 6.765 ( -10.588 6.463 1.315) 12.474 6.882 ( 4.214 -1.659 2.760) 5.303 6.990 ( 0.215 3.980 -3.630) 5.391 7.098 ( 2.156 -1.547 1.483) 3.040 7.170 ( 2.739 -2.235 -1.615) 3.887 7.265 ( 0.017 -0.160 -4.950) 4.953 7.336 ( -3.736 0.524 0.932) 3.886 7.463 ( 1.569 1.394 3.524) 4.102 7.537 ( 4.955 2.417 0.132) 5.514 7.673 ( -3.886 -2.642 -3.151) 5.658 7.805 ( 5.699 -3.103 0.079) 6.490 7.849 ( 1.318 -0.953 -1.089) 1.957 7.918 ( 0.529 -1.465 0.721) 1.716 7.947 ( -7.472 -8.512 -1.553) 11.432 8.193 ( 4.242 -3.870 4.694) 7.417 8.436 ( -5.353 2.800 -1.908) 6.336 8.540 ( -1.179 -1.848 -0.676) 2.294 8.760 ( 2.310 3.202 0.370) 3.965 8.826 ( -1.028 1.176 -1.339) 2.057 9.021 ( 0.620 8.187 1.427) 8.333 9.131 ( -2.603 2.756 1.716) 4.161 9.315 ( 0.413 0.147 -1.311) 1.382 9.363 ( -7.271 3.787 -0.468) 8.211 9.500 ( 3.010 -2.983 -0.466) 4.263 9.703 ( -8.513 -1.267 -0.645) 8.631 16.751 ( -0.088 -0.587 0.701) 0.918 16.763 ( 0.552 -0.990 -0.269) 1.165 16.845 ( -0.927 0.856 0.528) 1.368 16.891 ( -0.107 -0.194 -0.094) 0.241 16.949 ( -1.154 0.899 0.130) 1.468 17.017 ( -0.456 -1.700 0.048) 1.761 17.145 ( -0.172 1.630 -0.252) 1.658 17.231 ( 0.667 -0.289 0.163) 0.745 22.545 ( -0.084 0.508 -0.021) 0.515 22.560 ( 0.040 -0.012 0.086) 0.095 22.777 ( -0.256 0.353 -0.176) 0.470 22.791 ( -0.112 -0.086 0.133) 0.194 26.433 ( 0.184 -0.281 -0.063) 0.342 26.444 ( 0.175 -0.188 0.011) 0.257 26.532 ( 0.092 0.308 0.473) 0.572 26.540 ( -0.391 0.260 -0.265) 0.539 35.471 ( -0.055 -2.894 -1.035) 3.074 35.608 ( 0.008 -7.366 -1.642) 7.546 35.907 ( 0.586 0.874 0.169) 1.066 36.294 ( 0.664 -12.299 -0.992) 12.356 36.652 ( 2.111 15.852 1.935) 16.108 37.020 ( 4.663 9.627 -2.931) 11.091 37.658 ( -0.537 -1.165 0.278) 1.313 37.861 ( 1.435 -13.073 3.531) 13.617 ======================= Grid point 33 (19/136) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.000 19.531 0.000) 19.531 1.652 ( 0.000 19.979 0.000) 19.979 1.846 ( 0.000 -11.792 0.000) 11.792 1.953 ( 0.000 -11.251 0.000) 11.251 2.672 ( 0.000 2.898 0.000) 2.898 2.707 ( 0.000 -3.691 0.000) 3.691 3.297 ( 0.000 37.376 0.000) 37.376 3.595 ( 0.000 1.960 0.000) 1.960 3.673 ( 0.000 -1.711 0.000) 1.711 3.781 ( 0.000 10.058 0.000) 10.058 3.994 ( 0.000 -11.072 0.000) 11.072 4.016 ( 0.000 -27.577 0.000) 27.577 4.294 ( 0.000 -1.951 0.000) 1.951 4.309 ( 0.000 -3.128 0.000) 3.128 4.538 ( 0.000 2.152 0.000) 2.152 4.624 ( 0.000 -5.939 0.000) 5.939 4.840 ( 0.000 3.996 0.000) 3.996 4.922 ( 0.000 -2.549 0.000) 2.549 5.060 ( 0.000 0.613 0.000) 0.613 5.070 ( 0.000 -0.622 0.000) 0.622 5.379 ( 0.000 2.381 0.000) 2.381 5.410 ( 0.000 0.052 0.000) 0.052 5.440 ( 0.000 -0.037 0.000) 0.037 5.442 ( 0.000 2.021 0.000) 2.021 5.521 ( 0.000 -3.012 0.000) 3.012 5.540 ( 0.000 0.352 0.000) 0.352 5.674 ( 0.000 -6.549 0.000) 6.549 5.737 ( 0.000 -9.143 0.000) 9.143 5.896 ( 0.000 6.854 0.000) 6.854 6.014 ( 0.000 -4.864 0.000) 4.864 6.292 ( 0.000 2.855 0.000) 2.855 6.328 ( 0.000 0.852 0.000) 0.852 6.394 ( 0.000 2.766 0.000) 2.766 6.425 ( 0.000 0.294 0.000) 0.294 6.547 ( 0.000 2.965 0.000) 2.965 6.625 ( 0.000 -5.671 0.000) 5.671 6.818 ( 0.000 2.405 0.000) 2.405 6.852 ( 0.000 -1.559 0.000) 1.559 6.999 ( 0.000 9.911 0.000) 9.911 7.172 ( 0.000 -2.010 0.000) 2.010 7.193 ( 0.000 0.407 0.000) 0.407 7.198 ( 0.000 -3.258 0.000) 3.258 7.425 ( 0.000 -0.253 0.000) 0.253 7.510 ( 0.000 -10.634 0.000) 10.634 7.669 ( 0.000 4.836 0.000) 4.836 7.773 ( 0.000 -3.290 0.000) 3.290 7.974 ( 0.000 4.332 0.000) 4.332 8.011 ( 0.000 0.042 0.000) 0.042 8.267 ( 0.000 10.169 0.000) 10.169 8.322 ( 0.000 1.666 0.000) 1.666 8.388 ( 0.000 6.348 0.000) 6.348 8.692 ( 0.000 -17.137 0.000) 17.137 8.784 ( 0.000 8.369 0.000) 8.369 8.907 ( 0.000 -5.200 0.000) 5.200 9.085 ( 0.000 5.623 0.000) 5.623 9.145 ( 0.000 3.662 0.000) 3.662 9.413 ( 0.000 -3.247 0.000) 3.247 9.481 ( 0.000 -7.423 0.000) 7.423 10.739 ( 0.000 14.944 0.000) 14.944 11.002 ( 0.000 -12.250 0.000) 12.250 16.644 ( 0.000 0.029 0.000) 0.029 16.646 ( 0.000 -0.186 0.000) 0.186 16.874 ( 0.000 2.613 0.000) 2.613 16.924 ( 0.000 -2.458 0.000) 2.458 17.138 ( 0.000 0.446 0.000) 0.446 17.145 ( 0.000 -0.236 0.000) 0.236 17.239 ( 0.000 1.349 0.000) 1.349 17.263 ( 0.000 -1.113 0.000) 1.113 22.584 ( 0.000 1.051 0.000) 1.051 22.610 ( 0.000 -1.594 0.000) 1.594 22.813 ( 0.000 0.937 0.000) 0.937 22.828 ( 0.000 -0.657 0.000) 0.657 26.396 ( 0.000 0.745 0.000) 0.745 26.412 ( 0.000 -0.876 0.000) 0.876 26.495 ( 0.000 0.452 0.000) 0.452 26.502 ( 0.000 -0.283 0.000) 0.283 35.375 ( 0.000 0.730 0.000) 0.730 35.396 ( 0.000 -1.410 0.000) 1.410 35.774 ( 0.000 3.202 0.000) 3.202 35.852 ( 0.000 -4.882 0.000) 4.882 36.248 ( 0.000 6.930 0.000) 6.930 36.350 ( 0.000 -3.375 0.000) 3.375 37.377 ( 0.000 3.224 0.000) 3.224 37.460 ( 0.000 -5.423 0.000) 5.423 ======================= Grid point 34 (20/136) ======================= q-point: ( 0.09 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 6.215 17.177 -1.628) 18.339 1.784 ( 18.410 16.432 0.237) 24.678 1.904 ( 5.163 -8.360 3.638) 10.478 2.055 ( 8.977 -8.664 5.299) 13.555 2.600 ( -6.633 5.683 1.675) 8.894 2.741 ( -0.936 -9.330 5.048) 10.649 3.409 ( 12.899 25.169 -2.707) 28.411 3.555 ( -1.831 1.617 -3.774) 4.496 3.674 ( 2.014 4.112 2.219) 5.088 3.833 ( -2.251 11.557 10.155) 15.549 3.973 ( 4.537 -13.162 -4.225) 14.549 4.097 ( 2.043 -11.336 -1.247) 11.586 4.217 ( 0.000 -1.775 -6.978) 7.200 4.316 ( 1.934 -12.070 1.714) 12.343 4.562 ( 0.418 0.569 -1.286) 1.467 4.625 ( 0.138 -2.316 1.265) 2.643 4.837 ( -4.045 0.951 6.355) 7.593 4.905 ( -4.901 -3.274 7.263) 9.353 5.071 ( 2.380 2.084 -2.670) 4.139 5.097 ( 3.803 -0.879 -3.772) 5.428 5.373 ( 0.529 4.190 -1.348) 4.433 5.413 ( -1.217 0.030 0.128) 1.224 5.464 ( 2.853 1.516 1.468) 3.549 5.494 ( 3.066 5.233 -0.603) 6.095 5.541 ( 1.088 -6.612 2.866) 7.289 5.598 ( 4.061 -2.675 2.394) 5.420 5.700 ( 4.913 -5.803 0.392) 7.614 5.744 ( 4.196 -6.651 0.137) 7.865 5.939 ( 2.519 5.407 -0.737) 6.010 5.997 ( -1.535 -1.254 -9.094) 9.308 6.189 ( -2.341 3.053 -8.280) 9.131 6.286 ( 5.674 -5.530 -0.882) 7.973 6.408 ( -0.138 1.152 1.867) 2.198 6.440 ( -5.046 -2.025 3.068) 6.243 6.590 ( -1.200 8.808 7.984) 11.948 6.653 ( -2.292 2.814 -1.365) 3.878 6.698 ( -6.957 -2.367 4.322) 8.526 6.798 ( -3.882 -4.887 -2.738) 6.815 7.032 ( 1.420 5.149 0.510) 5.365 7.096 ( -2.264 -1.310 -1.535) 3.033 7.258 ( 3.641 1.498 2.443) 4.634 7.309 ( 5.137 -1.233 2.052) 5.667 7.423 ( 0.400 -1.924 -3.295) 3.837 7.463 ( -1.554 -5.623 -3.648) 6.881 7.636 ( 0.804 0.816 -3.911) 4.075 7.715 ( -3.359 -4.269 -2.872) 6.144 7.971 ( 0.300 3.136 -1.192) 3.368 7.995 ( -1.076 -0.058 -1.789) 2.088 8.340 ( 0.745 15.504 6.064) 16.664 8.401 ( 3.572 3.651 2.386) 5.637 8.442 ( 7.143 1.193 5.259) 8.950 8.675 ( -1.960 -7.975 0.016) 8.212 8.803 ( 0.465 1.305 2.677) 3.015 8.869 ( -4.592 -4.302 1.009) 6.373 9.056 ( -2.406 3.587 -1.001) 4.434 9.141 ( -1.722 -0.896 0.442) 1.991 9.385 ( -2.550 0.618 0.506) 2.673 9.490 ( -1.315 -7.303 2.474) 7.822 10.628 ( -8.607 13.375 -7.191) 17.455 10.852 ( -10.885 -9.672 -9.813) 17.559 16.663 ( 1.674 0.218 0.740) 1.843 16.669 ( 1.553 -0.373 1.465) 2.167 16.872 ( 0.093 2.383 -0.362) 2.412 16.917 ( -0.387 -2.218 -0.628) 2.338 17.116 ( -2.377 0.214 -0.074) 2.388 17.120 ( -2.665 -0.157 0.060) 2.671 17.237 ( -1.114 1.212 0.836) 1.847 17.257 ( -1.221 -0.940 0.546) 1.635 22.576 ( -0.468 1.007 -0.711) 1.318 22.598 ( -0.751 -1.325 -0.743) 1.694 22.810 ( -0.684 1.081 0.635) 1.428 22.827 ( -0.526 -0.746 0.512) 1.047 26.400 ( 0.481 0.723 -0.082) 0.872 26.415 ( 0.425 -0.833 -0.134) 0.945 26.505 ( 0.157 0.283 1.513) 1.548 26.509 ( 0.039 -0.121 1.200) 1.206 35.438 ( 5.089 0.666 2.287) 5.619 35.476 ( 6.679 -3.150 0.838) 7.432 35.772 ( 0.291 3.280 0.816) 3.392 35.859 ( -0.223 -5.860 2.877) 6.532 36.310 ( 9.613 7.953 -3.317) 12.910 36.424 ( 11.671 -3.468 -4.727) 13.061 37.393 ( 0.410 1.821 2.383) 3.027 37.460 ( -1.357 -5.080 2.414) 5.786 ======================= Grid point 35 (21/136) ======================= q-point: ( 0.18 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 7.181 15.299 0.165) 16.901 1.961 ( 6.090 -7.627 0.687) 9.784 2.234 ( 22.614 8.291 6.281) 24.891 2.312 ( 12.802 0.497 9.036) 15.678 2.544 ( -6.169 6.526 8.754) 12.541 2.796 ( 2.348 -15.327 4.057) 16.028 3.500 ( 1.797 4.905 -4.683) 7.015 3.549 ( 9.851 1.126 -5.972) 11.575 3.773 ( 0.756 4.625 0.124) 4.688 3.821 ( -5.149 0.476 -0.810) 5.234 4.034 ( 7.898 5.004 -1.864) 9.534 4.158 ( 7.158 9.958 9.014) 15.220 4.214 ( 7.576 -10.132 -6.527) 14.236 4.411 ( 4.463 -1.372 -0.752) 4.729 4.526 ( 2.152 -3.103 -2.974) 4.807 4.648 ( -4.204 -6.624 6.554) 10.223 4.837 ( -3.562 -0.994 5.466) 6.599 4.881 ( -6.536 -3.168 0.554) 7.285 5.063 ( -0.847 3.745 -4.809) 6.154 5.115 ( 3.661 -0.154 1.638) 4.014 5.300 ( -3.943 4.107 -6.703) 8.795 5.392 ( -2.734 -3.934 1.019) 4.898 5.478 ( -3.460 2.235 -1.209) 4.293 5.558 ( -0.294 -2.827 0.606) 2.906 5.576 ( 4.467 0.897 1.510) 4.800 5.669 ( 5.958 -1.964 -2.116) 6.621 5.810 ( 4.084 -0.848 -3.042) 5.163 5.874 ( 10.674 -3.932 -3.896) 12.024 5.941 ( 8.301 -2.220 6.390) 10.708 5.960 ( 1.204 -5.861 4.823) 7.686 6.163 ( 0.416 12.324 -0.998) 12.371 6.327 ( -2.942 0.792 -4.348) 5.310 6.383 ( -4.391 -4.025 7.612) 9.666 6.408 ( 0.833 -2.801 -1.565) 3.315 6.583 ( -3.846 4.292 3.234) 6.609 6.661 ( 1.676 7.995 3.635) 8.941 6.682 ( -2.199 -6.528 7.220) 9.979 6.802 ( 7.827 -4.467 -2.335) 9.310 7.015 ( -2.592 3.478 -2.447) 4.980 7.082 ( 3.314 -2.805 -3.302) 5.455 7.276 ( -1.373 -0.332 -0.665) 1.561 7.323 ( -3.257 -5.656 -3.710) 7.508 7.404 ( 1.191 2.613 -0.844) 2.993 7.454 ( 4.772 -2.193 -3.853) 6.514 7.640 ( 2.454 -1.433 -0.866) 2.971 7.663 ( 0.852 -2.913 -2.174) 3.733 7.934 ( -3.147 1.281 -1.710) 3.804 7.948 ( -1.395 -0.579 -3.265) 3.597 8.364 ( -1.430 12.786 2.389) 13.086 8.514 ( -0.136 11.098 2.211) 11.317 8.532 ( 0.089 -2.433 0.937) 2.609 8.691 ( 1.318 -3.125 4.450) 5.595 8.793 ( -2.308 3.806 2.056) 4.903 8.859 ( -1.514 -4.780 3.987) 6.406 9.005 ( -2.485 0.271 -0.842) 2.637 9.101 ( -1.178 -8.166 -0.432) 8.262 9.366 ( -3.735 5.048 5.173) 8.136 9.478 ( -4.676 -5.430 4.025) 8.219 10.346 ( -13.468 10.237 -10.808) 20.074 10.509 ( -15.066 -6.492 -13.109) 20.999 16.697 ( 1.148 0.715 0.677) 1.513 16.711 ( 1.314 -0.744 1.459) 2.100 16.875 ( 0.397 1.496 0.145) 1.554 16.903 ( -0.413 -1.361 -0.556) 1.527 17.071 ( -3.318 0.201 0.775) 3.413 17.077 ( -2.802 -0.387 0.529) 2.878 17.219 ( -1.745 0.951 0.385) 2.024 17.234 ( -1.968 -0.621 0.054) 2.064 22.561 ( -0.389 0.825 -0.592) 1.088 22.577 ( -0.708 -0.886 -0.727) 1.347 22.805 ( -0.796 0.924 0.754) 1.434 22.820 ( -0.954 -0.583 0.407) 1.189 26.409 ( 0.612 0.566 -0.038) 0.835 26.420 ( 0.434 -0.665 -0.185) 0.816 26.525 ( 0.007 0.176 1.590) 1.600 26.526 ( 0.142 0.060 1.777) 1.784 35.529 ( 3.261 -1.200 -0.122) 3.477 35.534 ( 1.249 -1.543 -1.873) 2.729 35.820 ( 3.436 3.485 1.774) 5.206 35.934 ( 4.151 -8.582 4.275) 10.448 36.468 ( 14.287 10.057 -3.871) 17.896 36.604 ( 18.275 -3.340 -7.309) 19.964 37.436 ( 0.076 -0.665 4.795) 4.842 37.478 ( -0.731 -4.779 4.639) 6.700 ======================= Grid point 36 (22/136) ======================= q-point: ( 0.27 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 6.584 10.127 6.536) 13.734 2.066 ( 3.927 -8.758 4.371) 10.546 2.588 ( 9.034 4.071 13.632) 16.853 2.601 ( 2.834 12.375 9.730) 15.996 2.666 ( 16.566 0.851 6.163) 17.695 2.925 ( 11.372 -14.184 1.288) 18.226 3.489 ( 4.213 10.888 -8.469) 14.423 3.641 ( 7.763 -2.807 -3.448) 8.946 3.685 ( -3.921 -1.548 -0.225) 4.222 3.752 ( -1.964 -8.098 -2.842) 8.805 4.119 ( 4.515 2.141 -3.260) 5.966 4.206 ( 0.650 -3.459 -6.627) 7.503 4.397 ( 3.351 8.642 -6.308) 11.212 4.474 ( 5.572 6.791 8.951) 12.541 4.518 ( -7.338 -0.121 -3.699) 8.219 4.579 ( -3.342 -7.560 -3.602) 9.017 4.765 ( 1.494 2.063 -3.090) 4.004 4.872 ( 1.113 -4.574 2.360) 5.266 5.020 ( -2.571 5.023 0.996) 5.730 5.089 ( -5.582 -1.132 -3.686) 6.784 5.238 ( 1.514 2.948 2.356) 4.066 5.345 ( -8.164 -1.920 3.169) 8.966 5.412 ( -2.972 -2.250 -0.543) 3.767 5.459 ( -0.459 -9.396 -0.956) 9.455 5.695 ( 4.610 6.768 2.384) 8.529 5.809 ( 10.129 -2.659 0.642) 10.492 5.876 ( 0.225 1.562 2.824) 3.235 5.983 ( 0.790 -1.986 -2.031) 2.948 6.022 ( 7.727 2.393 -1.988) 8.330 6.117 ( 1.672 -2.900 3.391) 4.764 6.169 ( 4.703 3.144 2.991) 6.399 6.278 ( 0.903 -6.439 1.016) 6.581 6.400 ( -0.859 4.796 6.683) 8.270 6.506 ( 9.611 -5.659 2.499) 11.430 6.600 ( -1.087 4.538 8.194) 9.429 6.657 ( -0.885 2.020 1.168) 2.495 6.826 ( 7.718 3.834 1.160) 8.695 6.921 ( 2.653 4.352 -2.865) 5.847 6.963 ( 6.729 -3.929 0.239) 7.796 7.087 ( 2.346 -13.487 -7.513) 15.616 7.247 ( 1.630 0.372 -5.212) 5.474 7.263 ( 2.619 -0.970 -2.084) 3.485 7.389 ( -1.397 2.350 0.096) 2.736 7.460 ( -0.675 -4.155 -2.562) 4.928 7.683 ( 2.074 0.700 0.192) 2.198 7.697 ( 4.869 -0.940 0.420) 4.976 7.856 ( -3.715 1.060 -2.017) 4.359 7.880 ( -2.748 -1.679 -2.450) 4.047 8.332 ( -6.120 8.167 0.164) 10.207 8.374 ( -7.737 5.713 -5.403) 11.031 8.595 ( 0.350 1.249 2.092) 2.461 8.649 ( -5.929 -3.183 0.392) 6.741 8.818 ( -3.288 2.241 1.627) 4.299 8.869 ( -1.220 -2.699 1.577) 3.356 8.984 ( 3.352 6.431 1.411) 7.388 9.151 ( 4.545 -9.747 2.900) 11.139 9.354 ( -7.314 4.464 8.118) 11.804 9.424 ( -7.085 -2.473 4.003) 8.505 10.007 ( -14.105 7.584 -10.166) 18.969 10.137 ( -14.606 -5.661 -10.827) 19.042 16.715 ( 0.592 0.823 0.472) 1.119 16.735 ( 0.439 -1.208 0.491) 1.376 16.880 ( -0.557 0.875 0.762) 1.287 16.894 ( -0.399 -0.569 0.005) 0.695 17.031 ( -3.007 0.581 1.131) 3.265 17.043 ( -2.474 -0.646 0.898) 2.710 17.196 ( -1.101 0.660 -0.345) 1.329 17.206 ( -0.957 -0.364 -0.206) 1.044 22.553 ( -0.082 0.520 -0.167) 0.552 22.563 ( -0.343 -0.482 -0.386) 0.706 22.800 ( -0.721 0.494 0.474) 0.994 22.807 ( -0.990 -0.221 0.125) 1.022 26.419 ( 0.627 0.303 0.059) 0.699 26.426 ( 0.473 -0.434 -0.116) 0.652 26.537 ( -0.392 0.453 1.155) 1.301 26.543 ( -0.147 -0.144 1.178) 1.196 35.507 ( -0.515 0.179 -2.789) 2.841 35.543 ( 0.885 -3.712 -2.814) 4.742 35.893 ( 2.980 4.623 1.320) 5.656 36.029 ( 3.520 -9.652 0.988) 10.321 36.667 ( 13.620 12.665 -1.511) 18.660 36.833 ( 18.854 -3.061 -7.083) 20.372 37.496 ( -0.506 -2.370 7.417) 7.803 37.531 ( 0.777 -4.951 4.421) 6.683 ======================= Grid point 37 (23/136) ======================= q-point: ( 0.36 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 4.138 4.760 10.692) 12.414 2.175 ( 1.712 -6.328 7.093) 9.658 2.774 ( 4.483 6.750 10.643) 13.377 2.818 ( 3.815 0.579 9.197) 9.974 2.959 ( 15.122 8.019 2.753) 17.336 3.189 ( 17.779 -12.091 0.754) 21.514 3.452 ( 4.404 10.283 -8.683) 14.161 3.655 ( -0.017 -4.440 -3.824) 5.860 3.716 ( 3.380 -0.645 1.925) 3.943 3.761 ( 4.835 -2.253 0.604) 5.368 4.053 ( -5.561 2.574 -5.882) 8.494 4.143 ( -0.388 -4.022 -4.214) 5.838 4.251 ( -12.040 2.484 -7.722) 14.517 4.327 ( -8.105 -2.717 -7.642) 11.466 4.424 ( -1.092 4.435 -2.103) 5.028 4.555 ( -2.158 -5.624 -3.957) 7.207 4.769 ( -5.139 4.320 -2.510) 7.167 4.882 ( 1.819 -6.044 0.628) 6.343 4.986 ( -1.246 5.621 0.264) 5.763 5.066 ( -2.579 -0.221 3.098) 4.038 5.223 ( -7.195 -4.115 5.509) 9.953 5.271 ( -4.129 -7.604 1.634) 8.806 5.400 ( 5.738 9.464 1.430) 11.159 5.594 ( 6.926 -7.118 2.433) 10.226 5.727 ( 0.972 6.211 -0.078) 6.288 5.826 ( -2.618 -1.192 -2.262) 3.659 5.954 ( 3.212 3.941 -1.644) 5.343 5.967 ( 6.987 -1.415 -0.199) 7.132 6.156 ( 3.991 -1.384 1.048) 4.352 6.208 ( 9.461 -6.542 0.574) 11.517 6.283 ( 0.636 1.884 6.222) 6.532 6.300 ( -0.347 -1.053 5.596) 5.705 6.509 ( 4.162 7.762 0.853) 8.848 6.595 ( -0.049 -0.092 0.220) 0.244 6.690 ( 2.530 3.959 5.409) 7.165 6.725 ( 5.761 -1.687 0.699) 6.043 6.898 ( 1.228 -1.763 2.869) 3.584 6.935 ( -2.207 -3.524 1.543) 4.435 7.070 ( 9.571 1.256 -3.670) 10.327 7.140 ( 11.549 -2.574 -1.461) 11.922 7.223 ( 1.235 3.394 -4.825) 6.026 7.307 ( 4.573 -3.695 -4.152) 7.198 7.378 ( -1.532 0.782 -0.209) 1.733 7.451 ( 6.709 -5.277 -1.334) 8.639 7.702 ( -1.966 2.898 1.983) 4.025 7.776 ( 1.557 -4.452 0.314) 4.727 7.794 ( 0.527 2.755 -0.557) 2.860 7.840 ( -0.125 -1.841 0.161) 1.852 8.134 ( -11.265 6.354 -5.779) 14.166 8.213 ( -9.112 -0.534 -2.346) 9.424 8.556 ( -4.125 -1.014 -1.179) 4.408 8.572 ( -5.015 -1.378 -0.385) 5.215 8.790 ( -1.212 2.699 1.040) 3.136 8.837 ( -2.082 -2.249 0.700) 3.144 9.102 ( 5.910 8.996 2.585) 11.070 9.266 ( 0.596 -6.014 5.376) 8.088 9.284 ( -3.957 3.961 1.457) 5.785 9.355 ( -4.944 -3.784 1.922) 6.516 9.704 ( -12.434 7.455 -6.156) 15.750 9.837 ( -12.294 -5.766 -4.886) 14.431 16.730 ( 0.701 0.286 0.529) 0.924 16.742 ( 0.406 -0.897 -0.067) 0.987 16.873 ( -1.198 0.796 0.758) 1.625 16.887 ( -0.630 -0.613 0.157) 0.893 16.996 ( -2.542 0.927 0.584) 2.768 17.013 ( -2.202 -0.893 0.528) 2.434 17.181 ( -0.206 1.288 -0.234) 1.326 17.204 ( 0.502 -0.918 0.074) 1.049 22.552 ( 0.040 0.328 0.034) 0.332 22.558 ( -0.031 -0.204 -0.060) 0.215 22.792 ( -0.602 0.169 -0.031) 0.626 22.794 ( -0.646 0.020 0.153) 0.664 26.428 ( 0.451 0.161 0.002) 0.479 26.433 ( 0.464 -0.311 -0.012) 0.559 26.538 ( -0.496 0.527 0.617) 0.951 26.546 ( -0.439 -0.253 0.450) 0.678 35.471 ( -0.328 0.572 -2.530) 2.615 35.518 ( 0.069 -4.347 -2.906) 5.229 35.937 ( 1.620 4.542 0.106) 4.823 36.070 ( 1.771 -9.459 -0.725) 9.651 36.851 ( 9.259 14.417 0.736) 17.150 37.029 ( 13.487 -1.810 -5.662) 14.739 37.572 ( -1.706 -4.836 9.311) 10.629 37.585 ( 2.573 -4.293 0.790) 5.067 ======================= Grid point 38 (24/136) ======================= q-point: ( 0.45 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 1.216 1.411 5.955) 6.240 2.251 ( 0.186 -3.185 3.517) 4.748 2.907 ( 2.567 2.144 3.143) 4.589 2.939 ( 2.030 -1.493 3.636) 4.424 3.169 ( 7.424 12.971 -0.092) 14.946 3.420 ( 7.262 -11.070 1.223) 13.296 3.492 ( 4.625 9.369 -0.189) 10.450 3.617 ( 2.888 -2.952 -1.913) 4.551 3.782 ( -2.621 0.956 -0.370) 2.814 3.840 ( 6.372 -3.414 -2.423) 7.624 3.927 ( -1.778 9.559 -0.793) 9.756 4.026 ( -7.722 1.531 -3.830) 8.754 4.089 ( -2.608 -0.457 -4.129) 4.905 4.143 ( -3.275 -11.991 0.826) 12.458 4.333 ( -5.532 2.404 -3.616) 7.032 4.466 ( -3.767 -6.681 -1.617) 7.839 4.732 ( 2.198 8.003 2.050) 8.549 4.885 ( -3.011 -2.589 -2.108) 4.495 4.920 ( -2.018 1.332 -1.299) 2.745 5.060 ( -0.193 2.209 1.697) 2.792 5.184 ( -2.712 -10.624 2.255) 11.194 5.269 ( -0.209 -8.939 1.254) 9.029 5.465 ( 0.942 9.440 0.661) 9.510 5.592 ( -3.451 0.480 -0.452) 3.514 5.800 ( 4.776 2.855 -1.876) 5.872 5.842 ( 3.513 -1.080 -0.048) 3.675 6.015 ( 3.725 -2.730 0.378) 4.634 6.035 ( 2.052 -3.764 0.054) 4.287 6.218 ( 1.237 2.844 1.753) 3.562 6.294 ( 2.346 -1.980 0.171) 3.075 6.363 ( -0.945 0.000 5.126) 5.213 6.372 ( 2.417 -2.182 3.352) 4.673 6.502 ( -0.197 6.821 -2.842) 7.392 6.591 ( -0.166 1.037 -1.573) 1.891 6.742 ( 0.851 -0.397 -0.865) 1.277 6.785 ( 1.089 -6.215 -1.826) 6.568 6.874 ( -1.221 8.068 4.231) 9.192 7.023 ( 2.459 -6.157 3.690) 7.588 7.130 ( -0.266 8.266 -2.419) 8.616 7.217 ( 1.564 4.023 0.235) 4.323 7.257 ( 3.502 0.072 -3.164) 4.720 7.334 ( 4.043 -2.015 0.859) 4.599 7.460 ( 8.936 1.063 0.411) 9.008 7.539 ( 5.210 -6.295 -2.929) 8.680 7.670 ( -4.160 5.843 2.763) 7.687 7.783 ( -1.557 -4.985 -0.355) 5.235 7.818 ( -1.439 0.214 -0.906) 1.714 7.836 ( 1.237 -0.454 -1.605) 2.077 7.942 ( -4.053 3.499 -0.450) 5.373 8.068 ( -5.471 -8.229 -0.051) 9.882 8.467 ( -3.896 1.226 -1.557) 4.371 8.500 ( -2.039 -2.113 -0.570) 2.991 8.789 ( -0.357 1.402 0.583) 1.559 8.825 ( -0.367 -1.518 0.348) 1.600 9.156 ( -2.066 5.656 1.332) 6.167 9.200 ( -3.790 1.826 1.551) 4.483 9.334 ( 6.440 2.480 -1.528) 7.069 9.419 ( 8.207 -5.085 -0.037) 9.655 9.488 ( -10.196 8.129 -0.566) 13.052 9.632 ( -9.682 -5.992 -0.602) 11.402 16.744 ( 0.267 -0.065 0.315) 0.418 16.748 ( 0.449 -0.501 -0.117) 0.683 16.862 ( -0.634 0.908 0.285) 1.143 16.879 ( -0.331 -0.814 0.065) 0.881 16.969 ( -1.065 1.052 0.117) 1.502 16.990 ( -0.920 -1.213 0.105) 1.526 17.180 ( 0.068 1.892 0.001) 1.893 17.213 ( 0.365 -1.426 0.101) 1.476 22.553 ( 0.016 0.373 0.023) 0.374 22.559 ( 0.043 -0.173 0.039) 0.182 22.784 ( -0.256 0.307 -0.068) 0.406 22.789 ( -0.205 -0.180 0.047) 0.277 26.433 ( 0.165 0.202 -0.027) 0.263 26.439 ( 0.190 -0.335 0.013) 0.386 26.537 ( -0.141 0.295 0.261) 0.418 26.542 ( -0.314 -0.109 0.007) 0.332 35.448 ( -0.092 0.561 -1.029) 1.176 35.494 ( -0.048 -4.284 -1.218) 4.454 35.953 ( 0.516 4.236 -0.093) 4.269 36.081 ( 0.530 -9.169 -0.457) 9.196 36.962 ( 3.201 14.967 0.727) 15.323 37.134 ( 4.799 -0.401 -2.366) 5.366 37.611 ( -0.689 -2.828 2.562) 3.878 37.636 ( 1.197 -7.671 1.446) 7.898 ======================= Grid point 77 (25/136) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.844 0.000 31.304) 31.316 0.751 ( 6.238 0.000 36.046) 36.581 1.184 ( -9.579 0.000 55.069) 55.896 2.180 ( -8.908 0.000 13.177) 15.905 2.364 ( -1.173 0.000 12.611) 12.665 2.924 ( 2.632 0.000 -14.751) 14.984 3.157 ( 5.246 0.000 5.116) 7.328 3.494 ( -0.343 0.000 -22.782) 22.785 3.518 ( -4.207 0.000 9.553) 10.438 4.013 ( 0.891 0.000 -4.347) 4.437 4.058 ( -0.712 0.000 2.579) 2.676 4.230 ( 9.126 0.000 -9.296) 13.027 4.300 ( -1.794 0.000 9.733) 9.897 4.501 ( -0.884 0.000 -1.824) 2.027 4.543 ( -8.438 0.000 -1.623) 8.593 4.805 ( 1.024 0.000 -5.650) 5.742 4.951 ( 1.533 0.000 2.257) 2.728 4.997 ( -4.060 0.000 -13.043) 13.660 5.021 ( 2.227 0.000 0.433) 2.269 5.180 ( -0.483 0.000 -1.705) 1.772 5.227 ( 4.768 0.000 -1.992) 5.167 5.288 ( -0.880 0.000 -2.545) 2.693 5.429 ( 10.031 0.000 -8.420) 13.097 5.443 ( 4.091 0.000 2.068) 4.584 5.460 ( -3.536 0.000 7.383) 8.186 5.735 ( -4.007 0.000 -4.342) 5.908 5.807 ( 6.704 0.000 -4.652) 8.159 5.864 ( -0.888 0.000 1.485) 1.730 6.161 ( -2.743 0.000 -17.355) 17.571 6.172 ( -2.405 0.000 -2.192) 3.254 6.185 ( 7.522 0.000 -1.343) 7.641 6.234 ( -4.615 0.000 5.331) 7.051 6.393 ( 3.889 0.000 7.434) 8.390 6.509 ( -3.496 0.000 2.068) 4.062 6.602 ( 0.363 0.000 -3.567) 3.585 6.765 ( 0.320 0.000 7.890) 7.896 6.925 ( 6.357 0.000 -0.267) 6.362 7.052 ( -3.138 0.000 -1.843) 3.639 7.074 ( 2.575 0.000 5.411) 5.993 7.190 ( -1.601 0.000 -2.722) 3.158 7.296 ( 4.412 0.000 2.272) 4.963 7.433 ( 2.249 0.000 -2.054) 3.046 7.496 ( -5.846 0.000 0.670) 5.884 7.621 ( -13.774 0.000 3.259) 14.154 7.661 ( -0.869 0.000 1.406) 1.653 7.697 ( 1.495 0.000 8.052) 8.190 7.881 ( 1.441 0.000 0.505) 1.527 7.943 ( 2.604 0.000 6.199) 6.724 8.053 ( -4.059 0.000 3.395) 5.292 8.205 ( -2.854 0.000 -4.310) 5.169 8.389 ( 3.529 0.000 -0.068) 3.529 8.588 ( -8.159 0.000 -1.525) 8.301 8.670 ( -0.468 0.000 -0.073) 0.474 8.749 ( 2.495 0.000 -4.322) 4.990 9.332 ( -3.071 0.000 2.073) 3.705 9.600 ( 0.552 0.000 -1.830) 1.911 9.699 ( 1.727 0.000 2.726) 3.227 9.744 ( 2.315 0.000 -1.775) 2.917 9.943 ( 0.321 0.000 -2.428) 2.449 10.248 ( 0.048 0.000 -5.225) 5.225 16.614 ( 1.399 0.000 -0.943) 1.687 16.708 ( 0.664 0.000 3.307) 3.373 16.750 ( -1.144 0.000 -2.394) 2.653 16.997 ( -0.948 0.000 -1.760) 1.999 17.134 ( -0.959 0.000 0.940) 1.343 17.168 ( 1.281 0.000 2.285) 2.619 17.175 ( -0.276 0.000 -0.131) 0.305 17.304 ( -0.556 0.000 0.349) 0.656 22.527 ( 0.167 0.000 0.591) 0.615 22.640 ( 2.385 0.000 -1.571) 2.856 22.750 ( 1.277 0.000 1.392) 1.889 22.842 ( -0.187 0.000 -0.465) 0.501 26.374 ( -0.014 0.000 0.494) 0.494 26.458 ( 0.122 0.000 -1.094) 1.100 26.481 ( 0.054 0.000 0.714) 0.716 26.499 ( 0.143 0.000 0.826) 0.838 35.404 ( 6.500 0.000 3.541) 7.402 35.527 ( 2.701 0.000 5.021) 5.702 35.761 ( -1.268 0.000 3.031) 3.286 35.864 ( -1.827 0.000 -2.759) 3.309 36.174 ( -3.573 0.000 -5.146) 6.264 36.309 ( 1.609 0.000 -5.099) 5.347 37.771 ( 2.505 0.000 4.019) 4.736 38.164 ( -27.618 0.000 -2.182) 27.704 ======================= Grid point 78 (26/136) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 14.095 0.000 26.181) 29.735 1.248 ( 10.423 0.000 32.931) 34.541 1.970 ( 32.638 0.000 38.650) 50.588 2.208 ( -1.810 0.000 10.688) 10.840 2.451 ( -5.502 0.000 13.713) 14.775 2.825 ( 1.900 0.000 -11.668) 11.822 3.124 ( -7.661 0.000 -2.480) 8.053 3.422 ( 14.314 0.000 -15.964) 21.441 3.578 ( 1.006 0.000 4.042) 4.165 3.982 ( 1.447 0.000 -2.109) 2.558 4.071 ( -1.313 0.000 1.586) 2.059 4.302 ( 7.414 0.000 -4.648) 8.751 4.391 ( -3.457 0.000 4.833) 5.942 4.406 ( -6.812 0.000 -0.830) 6.863 4.480 ( 3.827 0.000 0.247) 3.835 4.717 ( 3.475 0.000 -10.801) 11.347 4.737 ( -10.043 0.000 -8.082) 12.891 5.033 ( -1.375 0.000 -1.157) 1.797 5.089 ( 6.513 0.000 3.105) 7.216 5.143 ( -5.714 0.000 0.903) 5.785 5.186 ( 6.593 0.000 -1.630) 6.792 5.344 ( 7.599 0.000 -6.885) 10.254 5.404 ( -3.395 0.000 -11.649) 12.134 5.436 ( 2.535 0.000 -5.728) 6.264 5.535 ( 7.582 0.000 -0.302) 7.588 5.681 ( 2.414 0.000 -3.604) 4.338 5.878 ( 4.491 0.000 -1.985) 4.910 5.893 ( -1.345 0.000 5.193) 5.364 5.951 ( -0.363 0.000 -13.036) 13.041 6.031 ( -8.575 0.000 -3.344) 9.204 6.225 ( -3.956 0.000 6.179) 7.337 6.326 ( 5.493 0.000 0.847) 5.558 6.401 ( -0.160 0.000 4.153) 4.156 6.546 ( 3.815 0.000 2.225) 4.416 6.665 ( 4.886 0.000 1.579) 5.135 6.843 ( -0.786 0.000 6.999) 7.043 6.958 ( -5.842 0.000 4.890) 7.618 7.003 ( -6.481 0.000 -2.168) 6.834 7.113 ( -6.557 0.000 2.524) 7.026 7.171 ( 2.603 0.000 2.578) 3.664 7.319 ( -4.298 0.000 -0.304) 4.308 7.428 ( 10.349 0.000 1.043) 10.401 7.461 ( 0.799 0.000 -0.659) 1.036 7.549 ( -3.795 0.000 4.314) 5.746 7.668 ( 0.476 0.000 2.422) 2.469 7.823 ( 1.700 0.000 8.297) 8.469 7.875 ( -0.924 0.000 -1.119) 1.451 7.959 ( -9.493 0.000 0.599) 9.512 8.106 ( 6.624 0.000 6.765) 9.468 8.145 ( -1.404 0.000 1.611) 2.137 8.316 ( -17.052 0.000 -1.624) 17.130 8.437 ( 2.630 0.000 -2.565) 3.674 8.644 ( -1.789 0.000 -0.547) 1.870 8.740 ( 0.938 0.000 -1.863) 2.086 9.269 ( -6.302 0.000 -0.203) 6.305 9.500 ( -13.421 0.000 2.553) 13.662 9.584 ( -4.402 0.000 0.406) 4.421 9.722 ( -2.350 0.000 1.529) 2.804 9.915 ( -1.889 0.000 0.489) 1.952 10.377 ( 11.027 0.000 -15.238) 18.809 16.653 ( 3.416 0.000 0.914) 3.536 16.746 ( 3.871 0.000 -3.680) 5.341 16.759 ( 0.892 0.000 3.917) 4.018 16.954 ( -1.658 0.000 -2.496) 2.996 17.122 ( -1.766 0.000 0.689) 1.895 17.160 ( -1.427 0.000 0.046) 1.428 17.174 ( -3.682 0.000 2.886) 4.678 17.279 ( -2.392 0.000 -0.670) 2.484 22.538 ( 0.184 0.000 0.895) 0.913 22.617 ( -1.407 0.000 -1.592) 2.125 22.776 ( 0.119 0.000 1.507) 1.512 22.828 ( -0.687 0.000 -0.836) 1.082 26.385 ( 0.593 0.000 0.698) 0.916 26.450 ( 0.228 0.000 -1.081) 1.105 26.492 ( 0.326 0.000 0.821) 0.883 26.512 ( 0.475 0.000 0.628) 0.787 35.651 ( 12.572 0.000 1.887) 12.713 35.743 ( 15.155 0.000 2.417) 15.346 35.764 ( -4.324 0.000 -4.983) 6.598 35.802 ( 4.298 0.000 2.262) 4.857 36.063 ( -2.054 0.000 -8.080) 8.337 36.346 ( 10.077 0.000 -6.815) 12.165 37.851 ( 0.249 0.000 7.646) 7.650 37.908 ( -9.197 0.000 1.866) 9.384 ======================= Grid point 79 (27/136) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 17.198 0.000 20.200) 26.529 1.772 ( 15.229 0.000 25.284) 29.516 2.226 ( 3.306 0.000 -0.196) 3.311 2.480 ( -4.287 0.000 7.572) 8.701 2.723 ( 0.789 0.000 -4.364) 4.435 2.993 ( 37.371 0.000 29.002) 47.304 3.042 ( 2.223 0.000 -2.372) 3.250 3.474 ( 6.695 0.000 -6.881) 9.601 3.557 ( -2.913 0.000 -3.767) 4.762 4.018 ( -4.200 0.000 -3.734) 5.619 4.068 ( 7.443 0.000 -1.570) 7.607 4.184 ( -11.185 0.000 -7.323) 13.369 4.279 ( -8.701 0.000 3.007) 9.206 4.366 ( 2.063 0.000 0.929) 2.263 4.563 ( -8.832 0.000 6.521) 10.979 4.702 ( 12.637 0.000 4.795) 13.517 4.728 ( 9.609 0.000 -11.875) 15.276 4.935 ( -2.681 0.000 -4.295) 5.064 5.110 ( -6.929 0.000 -19.103) 20.320 5.137 ( -1.470 0.000 2.544) 2.938 5.260 ( 5.229 0.000 2.299) 5.712 5.309 ( 14.838 0.000 -4.988) 15.654 5.344 ( 2.053 0.000 -6.316) 6.642 5.429 ( 4.248 0.000 -5.483) 6.936 5.668 ( 1.892 0.000 0.189) 1.902 5.701 ( 4.112 0.000 -1.382) 4.338 5.844 ( 2.461 0.000 -3.580) 4.344 5.868 ( -3.334 0.000 2.154) 3.969 5.932 ( 7.881 0.000 -7.185) 10.665 5.985 ( -4.158 0.000 11.229) 11.974 6.237 ( 0.367 0.000 1.450) 1.496 6.374 ( -0.161 0.000 2.957) 2.962 6.490 ( 3.044 0.000 3.145) 4.378 6.637 ( 5.290 0.000 -0.744) 5.342 6.643 ( -14.618 0.000 0.288) 14.621 6.821 ( -2.778 0.000 0.369) 2.802 6.904 ( 0.668 0.000 6.293) 6.328 6.958 ( -3.740 0.000 4.524) 5.869 7.105 ( 2.667 0.000 -0.782) 2.779 7.157 ( -4.619 0.000 -3.132) 5.581 7.289 ( 1.580 0.000 -2.806) 3.220 7.441 ( -1.960 0.000 2.481) 3.162 7.541 ( -3.070 0.000 6.896) 7.549 7.654 ( 14.524 0.000 -0.905) 14.553 7.710 ( -3.417 0.000 0.743) 3.496 7.788 ( -3.274 0.000 -4.583) 5.632 7.894 ( 1.166 0.000 4.284) 4.440 7.920 ( 0.048 0.000 4.255) 4.255 8.062 ( -11.289 0.000 0.250) 11.291 8.192 ( 0.602 0.000 6.411) 6.439 8.258 ( 4.185 0.000 4.685) 6.282 8.401 ( -1.517 0.000 -4.818) 5.051 8.596 ( -1.083 0.000 -3.522) 3.685 8.741 ( -0.653 0.000 0.699) 0.956 9.122 ( -9.108 0.000 -4.029) 9.959 9.353 ( -9.237 0.000 3.864) 10.013 9.513 ( -4.876 0.000 -0.312) 4.886 9.652 ( -5.000 0.000 -2.585) 5.629 9.902 ( -5.112 0.000 7.000) 8.668 10.275 ( -2.819 0.000 -14.060) 14.340 16.728 ( 2.767 0.000 2.696) 3.863 16.777 ( 4.481 0.000 -3.539) 5.710 16.821 ( 1.800 0.000 3.792) 4.197 16.893 ( -2.155 0.000 -3.138) 3.807 17.096 ( -2.189 0.000 0.424) 2.229 17.128 ( -5.493 0.000 3.108) 6.311 17.135 ( -1.704 0.000 0.406) 1.752 17.220 ( -2.681 0.000 -1.923) 3.299 22.550 ( 0.101 0.000 0.913) 0.919 22.580 ( -1.355 0.000 -1.132) 1.766 22.790 ( -0.190 0.000 1.246) 1.260 22.805 ( -0.848 0.000 -1.087) 1.379 26.406 ( 0.947 0.000 0.862) 1.281 26.442 ( 0.141 0.000 -1.016) 1.026 26.507 ( 0.510 0.000 0.619) 0.802 26.525 ( 0.410 0.000 0.161) 0.440 35.651 ( -2.176 0.000 -5.893) 6.282 35.820 ( 2.850 0.000 5.069) 5.815 35.900 ( 9.335 0.000 1.758) 9.499 35.944 ( -1.672 0.000 -8.116) 8.286 36.056 ( 17.412 0.000 2.495) 17.590 36.448 ( 11.736 0.000 -8.542) 14.515 37.811 ( -4.358 0.000 -1.441) 4.590 37.956 ( 0.743 0.000 11.104) 11.129 ======================= Grid point 80 (28/136) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 17.629 0.000 12.364) 21.533 2.148 ( 9.535 0.000 0.050) 9.535 2.363 ( 11.267 0.000 9.785) 14.923 2.509 ( 2.637 0.000 2.191) 3.428 2.688 ( -0.768 0.000 1.356) 1.558 3.125 ( 5.239 0.000 4.333) 6.799 3.486 ( -1.736 0.000 1.030) 2.018 3.505 ( 2.841 0.000 -1.135) 3.059 3.736 ( 14.966 0.000 1.481) 15.039 3.880 ( -4.983 0.000 -6.361) 8.081 3.947 ( 1.903 0.000 6.715) 6.980 4.116 ( 0.684 0.000 -9.215) 9.240 4.192 ( -10.078 0.000 9.266) 13.691 4.402 ( 2.426 0.000 -1.078) 2.654 4.626 ( -10.209 0.000 -5.227) 11.469 4.649 ( -0.094 0.000 12.147) 12.147 4.753 ( -2.138 0.000 -13.761) 13.926 4.939 ( 10.159 0.000 4.525) 11.121 4.966 ( 11.666 0.000 -8.488) 14.427 5.246 ( 6.561 0.000 4.549) 7.984 5.289 ( 1.189 0.000 -6.765) 6.868 5.312 ( 0.841 0.000 -2.929) 3.048 5.402 ( 4.576 0.000 -5.917) 7.480 5.437 ( -2.733 0.000 -4.181) 4.995 5.642 ( 8.757 0.000 -1.776) 8.936 5.785 ( 6.880 0.000 -0.796) 6.926 5.840 ( -3.576 0.000 3.514) 5.013 5.994 ( 6.620 0.000 -4.589) 8.055 6.052 ( 11.675 0.000 4.621) 12.556 6.059 ( 2.174 0.000 12.573) 12.760 6.247 ( 2.941 0.000 -5.496) 6.234 6.298 ( -15.457 0.000 -1.688) 15.549 6.403 ( -8.806 0.000 2.261) 9.091 6.559 ( 0.563 0.000 2.835) 2.890 6.681 ( 3.414 0.000 -3.719) 5.048 6.795 ( -0.127 0.000 -2.134) 2.137 6.976 ( 1.032 0.000 2.566) 2.766 6.977 ( -4.800 0.000 5.198) 7.075 7.054 ( 2.366 0.000 -0.743) 2.480 7.081 ( -3.737 0.000 -3.294) 4.981 7.326 ( 4.806 0.000 -2.818) 5.571 7.444 ( -2.710 0.000 -0.898) 2.855 7.546 ( -7.576 0.000 -0.462) 7.590 7.563 ( -4.000 0.000 5.956) 7.174 7.777 ( -3.873 0.000 -3.057) 4.934 7.820 ( 3.677 0.000 1.515) 3.976 7.882 ( 9.095 0.000 -2.319) 9.386 7.967 ( 0.976 0.000 4.194) 4.306 8.093 ( 3.568 0.000 7.063) 7.913 8.212 ( -1.407 0.000 -5.128) 5.317 8.338 ( 1.099 0.000 2.822) 3.028 8.378 ( -0.383 0.000 7.698) 7.708 8.568 ( 3.361 0.000 -2.993) 4.500 8.708 ( -3.721 0.000 -1.458) 3.996 8.914 ( -8.615 0.000 -6.663) 10.891 9.279 ( -5.811 0.000 4.265) 7.208 9.424 ( -5.886 0.000 0.177) 5.889 9.530 ( -5.674 0.000 -3.362) 6.595 9.883 ( -8.836 0.000 9.951) 13.307 10.025 ( -10.307 0.000 -12.236) 15.998 16.783 ( 0.589 0.000 2.677) 2.741 16.803 ( 1.554 0.000 -2.261) 2.743 16.831 ( 0.196 0.000 -3.977) 3.982 16.876 ( -0.047 0.000 1.995) 1.996 17.049 ( -4.270 0.000 0.494) 4.298 17.091 ( -2.811 0.000 2.935) 4.063 17.122 ( -0.625 0.000 0.615) 0.877 17.175 ( -0.121 0.000 -1.044) 1.051 22.551 ( -0.916 0.000 -0.802) 1.217 22.559 ( -0.028 0.000 0.584) 0.584 22.782 ( -0.581 0.000 -0.991) 1.149 22.797 ( -0.284 0.000 0.834) 0.881 26.431 ( 0.917 0.000 0.887) 1.275 26.435 ( 0.302 0.000 -0.771) 0.828 26.520 ( 0.537 0.000 0.240) 0.588 26.526 ( -0.076 0.000 -0.320) 0.329 35.577 ( 0.509 0.000 -5.361) 5.385 35.852 ( -0.632 0.000 -5.215) 5.253 35.898 ( 0.002 0.000 6.295) 6.295 36.055 ( 9.201 0.000 -1.830) 9.381 36.368 ( 14.895 0.000 6.699) 16.332 36.525 ( 8.971 0.000 -8.145) 12.117 37.721 ( -3.583 0.000 -3.776) 5.205 38.099 ( 1.497 0.000 11.452) 11.550 ======================= Grid point 81 (29/136) ======================= q-point: ( 0.36 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 7.609 0.000 -7.232) 10.497 2.403 ( 13.263 0.000 -0.998) 13.301 2.545 ( 1.301 0.000 0.837) 1.547 2.636 ( 7.713 0.000 6.077) 9.819 2.803 ( 8.372 0.000 7.165) 11.019 3.251 ( 1.279 0.000 6.325) 6.454 3.513 ( -3.015 0.000 2.599) 3.981 3.535 ( 2.129 0.000 3.863) 4.411 3.627 ( -9.997 0.000 0.396) 10.005 3.789 ( 3.033 0.000 -5.178) 6.001 3.904 ( -1.343 0.000 -9.835) 9.927 4.132 ( -11.542 0.000 7.470) 13.748 4.347 ( 9.945 0.000 10.988) 14.820 4.356 ( -9.854 0.000 -1.684) 9.997 4.430 ( -5.925 0.000 -9.638) 11.314 4.451 ( 1.043 0.000 -1.246) 1.625 4.927 ( 4.882 0.000 2.667) 5.563 4.952 ( -4.400 0.000 -9.237) 10.232 5.180 ( 0.871 0.000 -7.274) 7.326 5.211 ( 10.915 0.000 2.195) 11.133 5.340 ( 5.313 0.000 1.572) 5.541 5.377 ( -0.168 0.000 1.170) 1.182 5.458 ( 14.437 0.000 11.903) 18.711 5.498 ( 14.451 0.000 -10.040) 17.597 5.766 ( 5.920 0.000 0.990) 6.002 5.825 ( -3.035 0.000 2.643) 4.024 5.885 ( 5.125 0.000 0.505) 5.150 5.988 ( -13.824 0.000 -7.067) 15.526 6.039 ( 3.720 0.000 -2.674) 4.581 6.146 ( -3.144 0.000 -0.989) 3.296 6.234 ( 6.849 0.000 4.121) 7.993 6.322 ( -6.108 0.000 3.406) 6.993 6.367 ( 15.413 0.000 0.142) 15.414 6.548 ( -3.645 0.000 -0.810) 3.734 6.682 ( 1.728 0.000 -3.439) 3.849 6.732 ( -8.987 0.000 -1.499) 9.111 6.938 ( -1.073 0.000 3.487) 3.648 6.957 ( -2.819 0.000 -2.435) 3.725 7.034 ( 0.462 0.000 2.382) 2.427 7.172 ( 6.784 0.000 2.371) 7.186 7.279 ( -8.857 0.000 -5.738) 10.553 7.314 ( -1.521 0.000 -2.925) 3.297 7.525 ( -0.922 0.000 1.986) 2.190 7.540 ( 0.996 0.000 -1.622) 1.904 7.741 ( -1.717 0.000 2.949) 3.412 7.871 ( -3.207 0.000 3.396) 4.671 7.999 ( -1.574 0.000 2.746) 3.166 8.005 ( 8.165 0.000 -2.034) 8.415 8.145 ( 1.921 0.000 -2.792) 3.389 8.194 ( 2.581 0.000 0.165) 2.586 8.371 ( 0.126 0.000 2.143) 2.146 8.475 ( -0.002 0.000 8.016) 8.016 8.589 ( -4.353 0.000 -5.943) 7.366 8.684 ( 11.132 0.000 2.451) 11.399 8.750 ( -4.142 0.000 -4.654) 6.230 9.241 ( -3.381 0.000 2.038) 3.948 9.340 ( -4.912 0.000 1.025) 5.018 9.418 ( -4.273 0.000 -1.941) 4.693 9.714 ( -13.297 0.000 -9.303) 16.228 9.822 ( -11.091 0.000 8.757) 14.131 16.766 ( -0.686 0.000 -2.771) 2.854 16.809 ( 0.058 0.000 1.507) 1.508 16.833 ( 2.492 0.000 -2.714) 3.685 16.854 ( -2.412 0.000 -1.120) 2.659 16.987 ( -3.914 0.000 0.810) 3.997 17.091 ( -1.184 0.000 2.913) 3.144 17.116 ( -0.577 0.000 0.130) 0.591 17.200 ( 1.819 0.000 1.076) 2.113 22.534 ( -0.412 0.000 -0.458) 0.616 22.561 ( -0.099 0.000 0.110) 0.149 22.768 ( -0.120 0.000 -0.535) 0.549 22.798 ( -0.337 0.000 0.434) 0.550 26.437 ( 0.592 0.000 -0.383) 0.705 26.451 ( 0.469 0.000 0.744) 0.879 26.518 ( -0.334 0.000 -0.374) 0.501 26.528 ( 0.415 0.000 -0.160) 0.445 35.555 ( 2.404 0.000 -3.300) 4.083 35.822 ( 0.583 0.000 -0.120) 0.595 35.952 ( -1.693 0.000 6.197) 6.424 36.149 ( 6.324 0.000 -3.958) 7.460 36.574 ( 6.440 0.000 -5.347) 8.370 36.650 ( 9.748 0.000 8.071) 12.656 37.623 ( -2.258 0.000 -5.160) 5.633 38.209 ( -0.892 0.000 6.735) 6.793 ======================= Grid point 82 (30/136) ======================= q-point: ( 0.45 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 6.081 0.000 -4.875) 7.794 2.462 ( 0.413 0.000 -9.259) 9.268 2.534 ( 0.217 0.000 -3.342) 3.349 2.805 ( 2.654 0.000 4.855) 5.533 2.973 ( 4.121 0.000 3.996) 5.740 3.210 ( -6.366 0.000 -2.738) 6.929 3.386 ( -10.112 0.000 -9.284) 13.728 3.549 ( -1.367 0.000 5.307) 5.481 3.625 ( 0.154 0.000 9.379) 9.380 3.822 ( 3.422 0.000 -1.731) 3.835 3.974 ( 7.709 0.000 6.031) 9.788 3.980 ( -2.811 0.000 2.115) 3.518 4.304 ( -5.777 0.000 9.363) 11.002 4.338 ( 0.663 0.000 1.757) 1.878 4.474 ( 1.256 0.000 -1.129) 1.689 4.514 ( -0.237 0.000 7.175) 7.179 4.797 ( 1.988 0.000 -7.471) 7.731 4.999 ( 5.776 0.000 -2.804) 6.421 5.162 ( 3.441 0.000 -4.737) 5.855 5.254 ( -4.033 0.000 3.009) 5.032 5.385 ( -1.116 0.000 1.100) 1.567 5.395 ( 3.180 0.000 -6.846) 7.548 5.627 ( 13.124 0.000 -8.644) 15.715 5.671 ( -6.444 0.000 -7.138) 9.617 5.837 ( 0.818 0.000 -1.130) 1.395 5.859 ( 0.718 0.000 5.820) 5.864 5.868 ( 3.484 0.000 0.725) 3.558 5.923 ( 0.629 0.000 -5.488) 5.524 6.046 ( 2.718 0.000 3.315) 4.287 6.064 ( -3.222 0.000 1.399) 3.513 6.218 ( -11.692 0.000 -7.564) 13.926 6.348 ( -1.171 0.000 2.855) 3.086 6.503 ( 3.977 0.000 12.907) 13.506 6.580 ( 16.058 0.000 -5.713) 17.044 6.589 ( -7.446 0.000 4.800) 8.859 6.665 ( -0.472 0.000 -1.033) 1.135 6.940 ( -0.283 0.000 -0.258) 0.383 7.019 ( -0.385 0.000 -4.749) 4.765 7.019 ( 0.439 0.000 2.982) 3.014 7.104 ( 0.001 0.000 -5.850) 5.850 7.281 ( 3.089 0.000 2.176) 3.778 7.296 ( 2.383 0.000 -1.066) 2.610 7.509 ( -4.608 0.000 2.498) 5.242 7.564 ( 2.691 0.000 -0.381) 2.718 7.726 ( -3.248 0.000 1.103) 3.430 7.811 ( -4.699 0.000 1.346) 4.888 7.949 ( -5.147 0.000 -0.581) 5.180 8.087 ( 3.009 0.000 -1.540) 3.380 8.209 ( 1.476 0.000 4.484) 4.721 8.213 ( 2.992 0.000 -1.627) 3.406 8.385 ( -0.694 0.000 1.259) 1.438 8.483 ( -1.079 0.000 -3.226) 3.401 8.569 ( 3.463 0.000 4.087) 5.357 8.671 ( 0.012 0.000 -3.914) 3.914 8.851 ( 1.996 0.000 0.479) 2.053 9.188 ( -3.045 0.000 -4.449) 5.392 9.331 ( 0.986 0.000 3.986) 4.106 9.370 ( -0.350 0.000 0.304) 0.464 9.486 ( -2.534 0.000 -1.332) 2.863 9.717 ( -10.424 0.000 4.579) 11.385 16.738 ( 0.945 0.000 -2.964) 3.112 16.796 ( -1.614 0.000 -2.788) 3.222 16.822 ( -0.039 0.000 0.481) 0.482 16.842 ( 1.639 0.000 -1.779) 2.419 16.948 ( -2.075 0.000 1.120) 2.358 17.110 ( -0.616 0.000 3.332) 3.388 17.111 ( -0.158 0.000 0.023) 0.159 17.222 ( -0.132 0.000 0.281) 0.311 22.528 ( 0.100 0.000 -0.127) 0.161 22.558 ( -0.141 0.000 -0.261) 0.297 22.766 ( 0.301 0.000 0.000) 0.301 22.795 ( -0.382 0.000 0.065) 0.387 26.443 ( 0.462 0.000 -0.137) 0.482 26.459 ( -0.283 0.000 0.422) 0.508 26.514 ( 0.093 0.000 0.098) 0.135 26.530 ( 0.215 0.000 -0.411) 0.464 35.582 ( 3.047 0.000 -0.183) 3.053 35.867 ( 1.493 0.000 5.241) 5.450 35.969 ( -3.604 0.000 5.071) 6.221 36.171 ( 2.774 0.000 -5.891) 6.512 36.631 ( 5.462 0.000 -1.463) 5.654 36.818 ( 0.190 0.000 7.283) 7.285 37.567 ( 2.458 0.000 -4.182) 4.851 38.191 ( -5.314 0.000 -1.114) 5.430 ======================= Grid point 83 (31/136) ======================= q-point: (-0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.230 ( -11.453 0.000 -15.357) 19.158 2.290 ( 1.024 0.000 -4.602) 4.715 2.465 ( -3.939 0.000 -4.794) 6.205 2.724 ( -13.753 0.000 -2.669) 14.009 3.003 ( -9.063 0.000 11.818) 14.893 3.066 ( -5.943 0.000 -6.364) 8.707 3.222 ( 4.665 0.000 -9.545) 10.624 3.619 ( 6.694 0.000 8.050) 10.470 3.806 ( 4.986 0.000 16.104) 16.858 3.853 ( 2.972 0.000 -1.488) 3.324 4.086 ( 4.504 0.000 -4.704) 6.512 4.139 ( 5.096 0.000 10.218) 11.418 4.308 ( -0.517 0.000 6.637) 6.657 4.463 ( -4.941 0.000 14.481) 15.301 4.473 ( -0.067 0.000 1.793) 1.795 4.547 ( 5.214 0.000 0.579) 5.246 4.882 ( 13.472 0.000 -5.354) 14.498 5.050 ( 1.115 0.000 -0.745) 1.341 5.163 ( -13.228 0.000 -3.641) 13.720 5.181 ( 4.677 0.000 -4.083) 6.209 5.255 ( -6.771 0.000 -7.360) 10.001 5.352 ( -3.536 0.000 -0.900) 3.649 5.495 ( -16.446 0.000 -10.546) 19.537 5.561 ( 0.466 0.000 -5.465) 5.485 5.718 ( 5.687 0.000 -3.786) 6.832 5.817 ( -3.243 0.000 -5.117) 6.058 5.885 ( -3.889 0.000 1.472) 4.158 5.968 ( 7.874 0.000 0.281) 7.879 6.031 ( -5.377 0.000 -0.068) 5.377 6.047 ( -1.004 0.000 -1.394) 1.718 6.227 ( 5.969 0.000 5.599) 8.184 6.290 ( -5.839 0.000 2.065) 6.194 6.485 ( -5.918 0.000 0.273) 5.925 6.640 ( 0.729 0.000 -0.900) 1.158 6.775 ( 9.039 0.000 -0.660) 9.064 6.860 ( -3.282 0.000 -7.398) 8.093 6.869 ( 10.210 0.000 14.435) 17.681 6.912 ( -3.106 0.000 -5.433) 6.258 6.985 ( 2.355 0.000 -2.102) 3.157 7.215 ( 5.139 0.000 1.591) 5.379 7.315 ( -2.273 0.000 4.473) 5.018 7.337 ( 2.247 0.000 0.608) 2.327 7.429 ( -6.435 0.000 1.647) 6.643 7.613 ( 2.328 0.000 -2.567) 3.466 7.675 ( -2.045 0.000 3.730) 4.253 7.779 ( -1.235 0.000 0.604) 1.375 7.878 ( -0.374 0.000 -2.328) 2.358 8.060 ( -2.605 0.000 -2.837) 3.852 8.250 ( -0.404 0.000 2.360) 2.394 8.256 ( 2.091 0.000 -0.757) 2.224 8.373 ( -3.387 0.000 1.716) 3.796 8.411 ( -4.576 0.000 -1.956) 4.976 8.643 ( -0.065 0.000 1.316) 1.317 8.728 ( -9.703 0.000 -4.231) 10.585 8.755 ( 12.361 0.000 2.184) 12.553 9.100 ( 0.158 0.000 -5.633) 5.635 9.349 ( -0.804 0.000 3.014) 3.119 9.410 ( 3.214 0.000 1.665) 3.620 9.607 ( -5.082 0.000 -0.151) 5.084 9.698 ( 18.446 0.000 5.751) 19.322 16.732 ( 2.168 0.000 -3.116) 3.796 16.743 ( -1.069 0.000 -3.149) 3.326 16.820 ( 0.142 0.000 -1.317) 1.325 16.852 ( 1.495 0.000 -0.821) 1.705 16.947 ( 0.173 0.000 1.394) 1.405 17.109 ( 0.089 0.000 -0.517) 0.524 17.138 ( -0.657 0.000 3.740) 3.797 17.211 ( -1.076 0.000 0.297) 1.116 22.534 ( 0.573 0.000 0.103) 0.582 22.551 ( -0.232 0.000 -0.533) 0.582 22.776 ( 0.649 0.000 0.409) 0.767 22.787 ( -0.450 0.000 -0.291) 0.536 26.449 ( 0.239 0.000 0.203) 0.313 26.451 ( -0.990 0.000 0.005) 0.990 26.521 ( 0.410 0.000 0.254) 0.482 26.527 ( -0.111 0.000 -0.444) 0.458 35.641 ( 2.465 0.000 2.664) 3.630 35.941 ( -5.073 0.000 2.609) 5.705 35.972 ( 1.756 0.000 9.027) 9.196 36.114 ( -1.178 0.000 -7.098) 7.196 36.720 ( 4.845 0.000 2.561) 5.480 36.803 ( -8.972 0.000 4.480) 10.028 37.628 ( 6.977 0.000 0.539) 6.997 38.022 ( -8.683 0.000 -8.605) 12.225 ======================= Grid point 84 (32/136) ======================= q-point: (-0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -16.245 0.000 -15.405) 22.388 2.054 ( -18.086 0.000 -11.648) 21.512 2.405 ( -6.117 0.000 7.626) 9.776 2.434 ( -13.702 0.000 -5.683) 14.833 2.885 ( -5.179 0.000 -9.495) 10.816 3.053 ( -2.615 0.000 15.814) 16.028 3.260 ( 8.611 0.000 -8.032) 11.775 3.869 ( 6.213 0.000 8.433) 10.475 3.906 ( 4.858 0.000 4.872) 6.880 4.003 ( -10.988 0.000 -1.782) 11.132 4.096 ( 5.830 0.000 12.638) 13.918 4.231 ( -2.193 0.000 10.954) 11.172 4.271 ( -20.354 0.000 -8.200) 21.944 4.412 ( 2.215 0.000 1.450) 2.647 4.604 ( 11.410 0.000 6.777) 13.271 4.622 ( -12.613 0.000 9.805) 15.976 4.809 ( 4.354 0.000 -9.564) 10.508 5.004 ( -7.212 0.000 0.071) 7.213 5.019 ( 11.631 0.000 -10.396) 15.600 5.184 ( -5.144 0.000 -7.722) 9.278 5.218 ( 4.063 0.000 -2.552) 4.798 5.247 ( -5.619 0.000 -3.450) 6.593 5.327 ( 8.933 0.000 -5.576) 10.531 5.609 ( 7.647 0.000 3.346) 8.347 5.654 ( -3.520 0.000 -8.128) 8.858 5.694 ( -9.433 0.000 -13.572) 16.528 5.831 ( 0.218 0.000 7.832) 7.835 5.954 ( -8.204 0.000 8.688) 11.950 6.017 ( 3.802 0.000 -0.754) 3.876 6.187 ( -0.977 0.000 3.797) 3.921 6.209 ( 1.765 0.000 -2.502) 3.062 6.226 ( -6.363 0.000 1.863) 6.630 6.529 ( 7.196 0.000 4.960) 8.740 6.657 ( 3.575 0.000 -3.691) 5.138 6.672 ( -5.832 0.000 -10.624) 12.119 6.780 ( -6.990 0.000 2.403) 7.391 6.880 ( -3.507 0.000 1.132) 3.685 6.945 ( -2.165 0.000 -0.608) 2.249 7.146 ( 8.069 0.000 1.765) 8.260 7.193 ( -5.176 0.000 4.215) 6.675 7.312 ( 0.853 0.000 -2.859) 2.984 7.370 ( -0.892 0.000 2.936) 3.068 7.469 ( 6.071 0.000 3.207) 6.866 7.516 ( -6.015 0.000 -2.745) 6.612 7.774 ( 1.454 0.000 -1.787) 2.303 7.838 ( 9.018 0.000 8.522) 12.408 7.882 ( 1.182 0.000 -0.334) 1.229 7.946 ( -6.435 0.000 -5.069) 8.192 8.210 ( -8.932 0.000 -0.236) 8.935 8.213 ( -4.966 0.000 -2.162) 5.416 8.289 ( -5.858 0.000 -0.400) 5.872 8.357 ( 0.953 0.000 -0.112) 0.959 8.607 ( -0.541 0.000 -2.180) 2.246 8.666 ( 0.927 0.000 1.420) 1.696 8.985 ( 10.561 0.000 4.575) 11.510 9.080 ( 3.942 0.000 -4.017) 5.628 9.395 ( 3.068 0.000 1.958) 3.640 9.451 ( 1.845 0.000 -2.342) 2.981 9.613 ( 6.065 0.000 0.573) 6.092 10.073 ( 19.614 0.000 5.909) 20.485 16.696 ( -0.627 0.000 -3.104) 3.166 16.738 ( 2.655 0.000 -3.172) 4.137 16.794 ( -0.731 0.000 -2.705) 2.802 16.875 ( 1.980 0.000 0.039) 1.980 16.979 ( 1.846 0.000 1.481) 2.366 17.102 ( 0.239 0.000 -0.756) 0.793 17.167 ( -0.871 0.000 3.989) 4.083 17.211 ( 0.237 0.000 1.194) 1.218 22.540 ( -0.293 0.000 -0.669) 0.730 22.547 ( 0.942 0.000 0.079) 0.945 22.775 ( -0.558 0.000 -0.605) 0.823 22.794 ( 0.886 0.000 0.577) 1.057 26.430 ( -1.350 0.000 -0.248) 1.372 26.457 ( 0.267 0.000 0.632) 0.686 26.517 ( -0.533 0.000 -0.380) 0.655 26.526 ( 0.014 0.000 -0.218) 0.218 35.709 ( 1.452 0.000 4.122) 4.371 35.858 ( -5.448 0.000 -2.693) 6.077 35.996 ( -4.921 0.000 -4.838) 6.901 36.100 ( 1.186 0.000 10.254) 10.322 36.666 ( -11.791 0.000 2.614) 12.077 36.825 ( 1.560 0.000 5.936) 6.138 37.764 ( -7.589 0.000 -13.292) 15.306 37.776 ( 6.455 0.000 6.462) 9.134 ======================= Grid point 85 (33/136) ======================= q-point: (-0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -20.743 0.000 -10.198) 23.114 1.576 ( -27.931 0.000 -6.432) 28.662 2.218 ( -6.473 0.000 -3.639) 7.426 2.367 ( -11.785 0.000 11.731) 16.629 2.752 ( 2.220 0.000 -8.912) 9.185 3.088 ( -35.007 0.000 -9.619) 36.304 3.201 ( 0.121 0.000 12.413) 12.413 3.545 ( -14.466 0.000 -2.774) 14.730 3.948 ( 3.573 0.000 0.342) 3.589 4.008 ( -1.387 0.000 -6.607) 6.751 4.045 ( -1.644 0.000 7.033) 7.223 4.305 ( -2.159 0.000 4.270) 4.785 4.383 ( 3.985 0.000 11.987) 12.632 4.545 ( 7.646 0.000 13.770) 15.750 4.558 ( -5.710 0.000 6.106) 8.360 4.812 ( -0.651 0.000 -5.259) 5.299 4.841 ( 8.393 0.000 0.423) 8.403 4.902 ( 5.621 0.000 -9.090) 10.688 4.961 ( -2.048 0.000 -8.822) 9.057 5.036 ( -1.938 0.000 -4.879) 5.250 5.153 ( -0.292 0.000 -7.853) 7.858 5.252 ( -0.476 0.000 2.099) 2.152 5.428 ( -2.083 0.000 -13.665) 13.822 5.468 ( 14.391 0.000 -8.087) 16.507 5.495 ( -4.272 0.000 -8.502) 9.515 5.844 ( 9.989 0.000 8.435) 13.074 5.899 ( -7.554 0.000 10.166) 12.666 5.952 ( 0.705 0.000 5.954) 5.995 5.974 ( -10.067 0.000 -5.464) 11.455 6.112 ( 7.351 0.000 2.238) 7.684 6.129 ( -8.529 0.000 4.677) 9.727 6.392 ( 3.772 0.000 4.721) 6.042 6.488 ( -0.687 0.000 -7.270) 7.302 6.576 ( -16.903 0.000 0.956) 16.930 6.683 ( 2.564 0.000 -4.417) 5.107 6.710 ( 6.076 0.000 6.770) 9.097 6.816 ( -5.484 0.000 2.472) 6.015 6.862 ( -4.696 0.000 -5.318) 7.095 7.190 ( -3.016 0.000 0.242) 3.025 7.228 ( 3.987 0.000 -3.082) 5.040 7.335 ( -6.677 0.000 3.509) 7.543 7.353 ( 6.162 0.000 3.481) 7.077 7.454 ( 0.730 0.000 -0.163) 0.748 7.584 ( 5.585 0.000 -1.197) 5.712 7.755 ( -8.344 0.000 -6.269) 10.437 7.772 ( -0.208 0.000 -1.704) 1.716 7.877 ( -0.567 0.000 -0.934) 1.092 7.968 ( -8.120 0.000 0.381) 8.129 8.119 ( 0.843 0.000 8.845) 8.885 8.147 ( -0.769 0.000 2.113) 2.248 8.188 ( -4.841 0.000 -2.951) 5.670 8.391 ( 3.483 0.000 -2.039) 4.036 8.595 ( 0.379 0.000 -1.841) 1.880 8.695 ( 1.518 0.000 0.145) 1.524 9.147 ( 8.028 0.000 -1.942) 8.260 9.167 ( 5.888 0.000 4.752) 7.566 9.473 ( 6.185 0.000 -4.613) 7.716 9.475 ( 4.536 0.000 0.995) 4.644 9.748 ( 7.960 0.000 1.338) 8.071 10.429 ( 17.277 0.000 4.789) 17.928 16.661 ( -0.138 0.000 -2.137) 2.142 16.742 ( -1.874 0.000 -2.936) 3.483 16.746 ( 2.233 0.000 -2.817) 3.595 16.915 ( 2.599 0.000 0.341) 2.622 17.031 ( 2.540 0.000 1.437) 2.919 17.110 ( 1.304 0.000 -0.078) 1.307 17.194 ( -0.947 0.000 3.923) 4.036 17.237 ( 1.353 0.000 0.925) 1.639 22.529 ( -0.240 0.000 -0.578) 0.625 22.562 ( 1.058 0.000 -0.455) 1.151 22.758 ( -0.656 0.000 -0.722) 0.975 22.815 ( 0.947 0.000 0.490) 1.066 26.405 ( -1.324 0.000 -0.218) 1.342 26.469 ( 0.215 0.000 0.847) 0.874 26.502 ( -0.821 0.000 -0.249) 0.858 26.516 ( -0.560 0.000 -0.797) 0.974 35.708 ( -5.488 0.000 -8.219) 9.883 35.772 ( 1.016 0.000 3.944) 4.073 35.880 ( -6.058 0.000 -0.072) 6.059 36.213 ( 0.011 0.000 8.816) 8.816 36.500 ( -10.607 0.000 0.185) 10.609 36.841 ( -8.678 0.000 5.046) 10.038 37.568 ( 1.759 0.000 -11.807) 11.937 37.968 ( 4.135 0.000 14.220) 14.809 ======================= Grid point 86 (34/136) ======================= q-point: (-0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -26.750 0.000 -1.189) 26.777 1.061 ( -32.369 0.000 1.763) 32.417 2.159 ( 0.657 0.000 1.125) 1.302 2.167 ( -61.904 0.000 2.344) 61.949 2.290 ( -15.890 0.000 13.711) 20.988 2.788 ( 10.613 0.000 -4.450) 11.508 3.244 ( 0.895 0.000 -10.278) 10.317 3.455 ( -8.245 0.000 11.429) 14.093 3.985 ( 2.131 0.000 -0.337) 2.157 3.997 ( -4.733 0.000 -3.999) 6.196 4.006 ( 1.153 0.000 0.817) 1.413 4.289 ( -0.670 0.000 -1.926) 2.039 4.352 ( -10.055 0.000 1.705) 10.198 4.578 ( -1.446 0.000 2.450) 2.845 4.693 ( -8.286 0.000 -4.191) 9.286 4.831 ( 5.947 0.000 9.297) 11.037 4.880 ( 11.647 0.000 -2.522) 11.917 4.937 ( 9.959 0.000 -6.140) 11.700 4.998 ( 1.984 0.000 1.065) 2.252 5.024 ( 4.411 0.000 -1.726) 4.736 5.103 ( -2.040 0.000 2.266) 3.049 5.178 ( -4.397 0.000 -7.229) 8.461 5.325 ( -3.942 0.000 1.689) 4.289 5.417 ( 9.619 0.000 -14.236) 17.181 5.574 ( 4.711 0.000 -3.897) 6.114 5.769 ( -3.855 0.000 -6.291) 7.378 5.853 ( -5.021 0.000 2.759) 5.730 6.013 ( 8.179 0.000 -6.350) 10.355 6.025 ( -3.895 0.000 7.735) 8.660 6.096 ( -3.242 0.000 8.985) 9.552 6.263 ( 0.026 0.000 -1.817) 1.817 6.317 ( -10.298 0.000 -4.648) 11.298 6.378 ( 2.116 0.000 10.064) 10.284 6.614 ( 6.094 0.000 4.828) 7.775 6.685 ( 0.259 0.000 -0.148) 0.299 6.700 ( -2.412 0.000 -6.474) 6.909 6.736 ( -8.262 0.000 2.871) 8.746 6.847 ( -0.002 0.000 10.223) 10.223 7.098 ( -5.578 0.000 -2.015) 5.931 7.233 ( -2.043 0.000 3.438) 3.999 7.309 ( 1.871 0.000 -2.171) 2.866 7.457 ( 1.449 0.000 -8.504) 8.627 7.498 ( 2.752 0.000 2.388) 3.644 7.585 ( -7.416 0.000 1.987) 7.678 7.598 ( 1.590 0.000 -2.663) 3.101 7.770 ( 2.781 0.000 0.280) 2.795 7.828 ( -6.567 0.000 1.900) 6.836 7.892 ( 3.507 0.000 0.130) 3.509 8.035 ( -7.336 0.000 -3.112) 7.969 8.213 ( 2.483 0.000 4.749) 5.359 8.236 ( -1.194 0.000 6.108) 6.223 8.405 ( 1.239 0.000 -3.166) 3.400 8.585 ( 0.537 0.000 -0.373) 0.653 8.720 ( 3.138 0.000 -2.385) 3.941 9.266 ( 8.135 0.000 -1.692) 8.309 9.277 ( 2.257 0.000 4.063) 4.648 9.543 ( 7.190 0.000 -3.118) 7.837 9.551 ( 3.923 0.000 0.126) 3.925 9.871 ( 6.036 0.000 0.262) 6.042 10.708 ( 13.153 0.000 0.575) 13.166 16.649 ( 0.385 0.000 -0.704) 0.803 16.681 ( -2.074 0.000 -2.099) 2.951 16.752 ( 1.484 0.000 -1.250) 1.940 16.960 ( 2.587 0.000 0.106) 2.589 17.085 ( 2.291 0.000 1.137) 2.558 17.139 ( 1.906 0.000 0.327) 1.934 17.215 ( -1.088 0.000 2.536) 2.760 17.268 ( 1.583 0.000 0.425) 1.639 22.522 ( -0.097 0.000 -0.273) 0.289 22.566 ( 0.492 0.000 -1.451) 1.532 22.741 ( -0.565 0.000 -0.365) 0.672 22.833 ( 0.782 0.000 0.234) 0.816 26.385 ( -1.003 0.000 -0.013) 1.003 26.480 ( 0.013 0.000 0.783) 0.783 26.488 ( -0.800 0.000 0.010) 0.801 26.495 ( -0.716 0.000 -1.017) 1.244 35.543 ( -4.096 0.000 -7.121) 8.215 35.799 ( -4.567 0.000 0.874) 4.650 35.826 ( 1.567 0.000 2.432) 2.893 36.278 ( -1.458 0.000 5.272) 5.470 36.316 ( -8.505 0.000 -8.492) 12.018 36.658 ( -14.664 0.000 -1.060) 14.702 37.576 ( 8.004 0.000 -4.328) 9.099 38.233 ( 4.784 0.000 24.245) 24.712 ======================= Grid point 87 (35/136) ======================= q-point: (-0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -24.996 0.000 17.694) 30.625 0.629 ( -29.264 0.000 16.023) 33.363 1.304 ( -59.404 0.000 31.418) 67.201 2.216 ( -13.308 0.000 14.951) 20.016 2.239 ( 2.589 0.000 7.439) 7.877 2.964 ( 13.153 0.000 -0.107) 13.154 3.075 ( -1.236 0.000 -15.711) 15.760 3.477 ( -7.241 0.000 15.619) 17.216 3.779 ( -8.791 0.000 -13.110) 15.785 4.027 ( 3.545 0.000 -2.920) 4.593 4.042 ( 0.155 0.000 1.855) 1.861 4.236 ( 3.744 0.000 -10.815) 11.445 4.265 ( -5.327 0.000 6.506) 8.408 4.548 ( -2.217 0.000 -1.578) 2.721 4.615 ( -1.922 0.000 3.323) 3.839 4.887 ( -4.424 0.000 -6.255) 7.662 4.923 ( -1.936 0.000 0.015) 1.936 4.976 ( 9.846 0.000 1.927) 10.033 5.086 ( -5.390 0.000 -2.326) 5.870 5.109 ( 6.688 0.000 2.202) 7.041 5.145 ( 2.756 0.000 6.258) 6.838 5.167 ( 10.893 0.000 3.159) 11.342 5.352 ( 1.721 0.000 4.371) 4.697 5.434 ( 5.302 0.000 -5.804) 7.861 5.489 ( -9.166 0.000 0.436) 9.176 5.761 ( 7.473 0.000 -6.406) 9.843 5.815 ( -0.948 0.000 -1.698) 1.945 5.945 ( -9.594 0.000 0.766) 9.625 6.099 ( 12.180 0.000 -2.624) 12.459 6.175 ( 0.147 0.000 4.630) 4.632 6.184 ( -3.379 0.000 2.425) 4.159 6.213 ( -0.029 0.000 1.561) 1.561 6.380 ( -2.327 0.000 -13.269) 13.472 6.613 ( -9.189 0.000 0.883) 9.231 6.614 ( 1.869 0.000 0.869) 2.061 6.698 ( -0.527 0.000 4.100) 4.133 6.852 ( 3.132 0.000 2.985) 4.327 7.024 ( -2.538 0.000 2.437) 3.519 7.053 ( 10.067 0.000 17.746) 20.402 7.234 ( -3.606 0.000 2.136) 4.191 7.269 ( -6.476 0.000 -10.104) 12.002 7.367 ( 7.227 0.000 4.502) 8.515 7.459 ( -1.818 0.000 -3.035) 3.538 7.586 ( 0.120 0.000 3.764) 3.766 7.645 ( 1.374 0.000 1.533) 2.059 7.804 ( -1.578 0.000 -1.535) 2.201 7.833 ( 4.165 0.000 -0.532) 4.199 7.950 ( -4.015 0.000 4.288) 5.874 7.993 ( 4.787 0.000 4.239) 6.394 8.271 ( -0.055 0.000 -0.062) 0.083 8.308 ( 7.647 0.000 19.382) 20.836 8.371 ( -0.565 0.000 -1.997) 2.075 8.608 ( 0.357 0.000 2.354) 2.381 8.743 ( 3.875 0.000 -4.188) 5.706 9.330 ( -0.361 0.000 3.237) 3.257 9.374 ( 9.016 0.000 1.317) 9.112 9.598 ( 2.208 0.000 -0.445) 2.253 9.627 ( 5.078 0.000 0.036) 5.078 9.939 ( 3.084 0.000 -1.415) 3.393 10.754 ( -4.295 0.000 -18.606) 19.095 16.626 ( -0.653 0.000 -2.113) 2.212 16.671 ( 0.425 0.000 1.925) 1.971 16.776 ( 0.959 0.000 1.229) 1.559 16.997 ( 2.021 0.000 0.082) 2.022 17.125 ( 1.471 0.000 0.681) 1.621 17.168 ( 1.172 0.000 0.142) 1.180 17.187 ( -3.371 0.000 -2.557) 4.231 17.294 ( 0.997 0.000 0.438) 1.089 22.521 ( 0.061 0.000 0.156) 0.167 22.563 ( 1.184 0.000 1.700) 2.072 22.734 ( -0.200 0.000 0.198) 0.282 22.843 ( 0.376 0.000 -0.099) 0.389 26.374 ( -0.521 0.000 0.249) 0.577 26.472 ( -0.368 0.000 -1.093) 1.154 26.479 ( -0.503 0.000 0.324) 0.598 26.490 ( -0.056 0.000 0.811) 0.813 35.450 ( -0.263 0.000 -3.469) 3.479 35.744 ( -3.766 0.000 -2.280) 4.403 35.870 ( 1.975 0.000 0.038) 1.975 35.923 ( -23.326 0.000 -22.372) 32.320 36.271 ( -3.683 0.000 0.564) 3.726 36.419 ( -9.463 0.000 -4.500) 10.478 37.677 ( 6.140 0.000 0.586) 6.168 38.558 ( 4.188 0.000 2.525) 4.891 ======================= Grid point 88 (36/136) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 1.885 17.710 19.672) 26.537 1.003 ( -10.419 17.606 30.517) 36.740 1.610 ( 1.658 34.939 36.150) 50.303 2.186 ( -7.271 0.476 12.280) 14.279 2.351 ( -1.468 -1.697 12.858) 13.053 2.863 ( 4.214 -5.014 -10.425) 12.311 3.173 ( 0.661 -0.759 5.253) 5.348 3.416 ( 1.191 -2.464 -6.363) 6.927 3.575 ( -2.527 2.078 -8.467) 9.077 3.828 ( 0.508 -7.757 2.547) 8.180 4.152 ( 8.680 -7.626 -9.829) 15.169 4.236 ( 0.866 3.863 -0.257) 3.967 4.286 ( -3.503 1.299 2.625) 4.566 4.357 ( -0.533 -5.972 -4.782) 7.669 4.611 ( -9.769 3.761 1.797) 10.621 4.863 ( 8.623 -1.655 -1.811) 8.965 4.937 ( 2.261 1.623 -4.978) 5.703 4.982 ( -8.049 1.792 -1.228) 8.337 5.070 ( -0.496 -5.198 2.286) 5.700 5.137 ( 2.059 -3.185 -2.863) 4.752 5.250 ( 5.179 5.089 -3.896) 8.240 5.285 ( -0.907 3.363 -1.246) 3.699 5.391 ( 4.530 -2.992 -3.361) 6.385 5.445 ( 2.102 -0.120 -1.198) 2.422 5.480 ( 0.699 1.813 3.199) 3.743 5.707 ( -0.817 -1.415 -3.665) 4.012 5.854 ( -0.951 -1.650 0.323) 1.932 5.882 ( -0.110 5.444 -6.436) 8.430 6.080 ( -1.446 -8.266 2.584) 8.780 6.140 ( -4.884 -5.710 2.918) 8.061 6.199 ( 2.980 1.388 -4.291) 5.405 6.250 ( -0.928 3.108 -6.784) 7.519 6.330 ( 4.940 -1.940 6.732) 8.572 6.518 ( -3.637 1.168 0.457) 3.847 6.580 ( 1.692 -16.106 6.176) 17.332 6.637 ( -1.192 1.169 -0.799) 1.851 6.858 ( 1.065 -1.072 4.048) 4.321 6.931 ( 6.095 -8.200 -4.730) 11.258 7.082 ( -4.660 -8.022 2.608) 9.637 7.240 ( 3.238 -1.719 3.120) 4.814 7.254 ( 2.579 -0.560 1.725) 3.153 7.314 ( -2.324 -4.697 4.876) 7.158 7.427 ( -0.228 3.115 3.401) 4.618 7.508 ( -0.867 -1.080 4.821) 5.016 7.664 ( -10.453 -0.426 4.095) 11.235 7.788 ( 2.304 0.696 -0.538) 2.466 7.922 ( 1.681 3.747 0.720) 4.169 8.042 ( -2.545 -5.787 0.449) 6.337 8.070 ( -0.538 9.074 1.156) 9.163 8.236 ( -2.231 5.131 2.541) 6.144 8.338 ( 4.093 1.923 7.367) 8.645 8.527 ( -3.889 -4.271 -5.402) 7.909 8.657 ( -0.889 2.770 2.230) 3.666 8.860 ( 2.742 7.656 0.098) 8.133 9.144 ( -0.676 -6.076 7.574) 9.733 9.496 ( 1.791 -10.609 3.174) 11.217 9.612 ( 0.055 -5.327 -3.415) 6.328 9.729 ( -0.518 -2.411 2.674) 3.638 10.083 ( -0.109 12.044 -5.388) 13.195 10.746 ( -1.026 20.195 -32.052) 37.897 16.622 ( 1.636 0.564 -0.763) 1.891 16.702 ( 0.228 -0.648 2.894) 2.975 16.763 ( 0.058 1.423 -2.221) 2.639 16.982 ( -0.501 -1.355 -1.575) 2.137 17.136 ( -1.096 0.213 0.946) 1.463 17.158 ( -0.214 -0.203 0.946) 0.991 17.205 ( 0.563 1.712 1.333) 2.242 17.303 ( -0.534 -0.177 0.621) 0.838 22.543 ( -0.294 0.914 -0.653) 1.161 22.642 ( 0.932 -0.446 -2.314) 2.534 22.767 ( 1.239 1.517 0.899) 2.155 22.845 ( 0.120 0.109 -0.292) 0.334 26.377 ( -0.024 0.293 0.382) 0.482 26.445 ( 0.253 -1.007 -0.731) 1.270 26.496 ( 0.255 0.944 0.909) 1.335 26.506 ( 0.238 0.536 0.840) 1.025 35.403 ( 5.099 -0.068 3.556) 6.217 35.506 ( 1.008 -1.812 4.655) 5.096 35.746 ( -1.391 -0.557 2.140) 2.613 35.930 ( -0.928 5.298 -2.491) 5.927 36.157 ( 0.314 -3.934 -1.974) 4.413 36.285 ( -3.132 0.538 -3.326) 4.600 37.697 ( -0.388 -12.681 9.190) 15.666 37.764 ( -12.148 -15.778 13.025) 23.794 ======================= Grid point 89 (37/136) ======================= q-point: ( 0.09 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 11.121 5.712 25.709) 28.588 1.380 ( 14.180 11.891 26.851) 32.610 2.137 ( 12.776 9.108 16.840) 23.016 2.254 ( 4.422 5.365 17.186) 18.539 2.484 ( 0.661 5.669 19.410) 20.232 2.828 ( 5.144 1.089 -9.214) 10.608 3.111 ( -6.223 -1.421 -3.967) 7.515 3.412 ( 4.761 -0.875 -5.291) 7.171 3.560 ( 7.387 -0.938 -5.101) 9.026 3.891 ( 3.012 -4.726 5.037) 7.536 4.158 ( -2.214 3.244 -9.043) 9.859 4.221 ( 1.818 -8.144 1.145) 8.423 4.262 ( -0.245 -7.754 -0.397) 7.768 4.334 ( 0.630 -3.372 -2.797) 4.426 4.556 ( 0.508 5.634 4.400) 7.167 4.775 ( -6.160 4.757 -8.579) 11.583 4.862 ( -3.039 2.025 -4.535) 5.822 5.027 ( -3.526 0.945 -1.444) 3.925 5.053 ( 6.107 -0.426 0.845) 6.180 5.123 ( 1.251 -5.358 -1.747) 5.773 5.204 ( 1.169 4.401 -2.277) 5.091 5.339 ( -2.279 -3.472 -8.756) 9.691 5.357 ( 6.930 0.714 -7.060) 9.918 5.468 ( 4.666 5.046 -5.649) 8.896 5.532 ( 4.183 -0.342 2.611) 4.943 5.698 ( 4.565 1.046 -3.037) 5.582 5.818 ( 0.414 -3.028 -0.358) 3.077 5.903 ( 0.054 -2.199 3.642) 4.254 6.001 ( -5.224 1.560 -8.383) 10.000 6.063 ( -3.315 3.143 0.593) 4.607 6.161 ( -1.159 -4.965 1.702) 5.375 6.325 ( 7.994 -2.696 -1.080) 8.505 6.390 ( -2.370 0.559 5.798) 6.288 6.529 ( 4.204 -2.866 2.307) 5.587 6.623 ( -0.817 -1.973 1.289) 2.494 6.712 ( 2.308 -10.459 7.291) 12.957 6.898 ( -0.232 -4.397 0.335) 4.416 6.927 ( -4.374 -5.141 2.250) 7.115 7.037 ( -4.348 -2.311 1.071) 5.039 7.237 ( 0.130 2.772 -3.669) 4.601 7.328 ( -6.016 -6.123 5.387) 10.134 7.352 ( 7.267 -3.049 1.069) 7.953 7.479 ( 0.895 -9.213 5.227) 10.630 7.565 ( -0.972 0.238 4.819) 4.922 7.582 ( 0.462 8.121 2.235) 8.436 7.835 ( 2.324 2.310 1.774) 3.726 7.917 ( -4.578 -6.482 -5.537) 9.676 7.983 ( -1.649 4.297 2.153) 5.081 8.075 ( 0.357 1.406 2.208) 2.642 8.218 ( -1.751 2.316 0.414) 2.933 8.336 ( -10.306 4.785 -2.577) 11.652 8.473 ( 3.293 5.963 1.490) 6.973 8.674 ( -0.327 4.363 3.728) 5.748 8.864 ( -1.249 7.963 0.503) 8.076 9.180 ( -4.097 -5.347 3.421) 7.555 9.498 ( -6.100 -2.604 -1.602) 6.823 9.559 ( -1.759 -6.931 1.943) 7.410 9.700 ( -6.255 0.143 4.212) 7.543 9.980 ( -3.969 7.391 -4.897) 9.714 10.479 ( 1.273 7.338 -20.778) 22.072 16.655 ( 2.522 0.242 0.408) 2.566 16.748 ( 1.758 -0.565 2.199) 2.871 16.768 ( 3.062 1.447 -1.530) 3.717 16.945 ( -1.289 -0.898 -2.430) 2.894 17.122 ( -1.942 0.084 0.932) 2.156 17.144 ( -2.398 -0.569 1.105) 2.701 17.205 ( -2.602 1.942 1.641) 3.638 17.280 ( -2.501 0.130 -0.319) 2.524 22.540 ( -0.009 0.249 0.404) 0.474 22.613 ( -1.177 -0.509 -1.704) 2.132 22.785 ( -0.084 0.879 1.259) 1.538 22.834 ( -0.709 0.491 -0.691) 1.105 26.386 ( 0.573 0.143 0.552) 0.808 26.441 ( 0.246 -0.754 -0.784) 1.115 26.509 ( 0.250 1.312 0.769) 1.541 26.520 ( 0.336 0.646 0.819) 1.096 35.610 ( 10.019 -4.329 -1.844) 11.069 35.648 ( 6.982 -5.554 6.274) 10.907 35.737 ( -0.189 -0.197 1.278) 1.307 35.911 ( 3.881 7.322 -2.727) 8.724 36.152 ( 5.917 5.937 -8.380) 11.852 36.278 ( 5.943 -5.844 -2.619) 8.736 37.731 ( -4.793 -13.168 7.139) 15.727 37.801 ( 1.147 -5.566 6.790) 8.854 ======================= Grid point 90 (38/136) ======================= q-point: ( 0.18 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 14.807 0.696 22.271) 26.753 1.881 ( 15.772 9.651 19.890) 27.158 2.253 ( 3.650 2.409 1.397) 4.591 2.450 ( -0.031 -2.199 6.994) 7.332 2.740 ( 2.595 0.906 -2.233) 3.542 3.009 ( 2.164 0.345 5.725) 6.130 3.119 ( 25.775 7.248 7.358) 27.767 3.430 ( 3.200 -2.886 1.456) 4.549 3.633 ( 7.189 7.299 -2.312) 10.503 3.938 ( -2.161 -6.794 -8.199) 10.866 4.068 ( -0.162 0.359 1.806) 1.849 4.189 ( -3.157 -1.399 -3.506) 4.921 4.230 ( -3.839 -3.659 2.277) 5.772 4.354 ( 1.391 -1.184 4.695) 5.038 4.577 ( -9.481 1.435 -1.763) 9.750 4.705 ( 9.750 1.812 2.004) 10.118 4.769 ( -3.091 -2.651 -4.277) 5.906 4.974 ( 4.396 7.487 -7.724) 11.621 5.056 ( -3.617 -3.178 -13.612) 14.438 5.133 ( -4.124 -0.152 -1.183) 4.293 5.183 ( 3.294 -6.730 -0.669) 7.523 5.229 ( 9.499 -4.970 -7.305) 12.973 5.403 ( 5.690 2.754 -2.689) 6.869 5.513 ( 4.496 8.769 -1.888) 10.034 5.643 ( 1.247 -1.715 2.661) 3.402 5.738 ( 2.117 2.559 -1.992) 3.873 5.832 ( -5.299 -0.478 3.073) 6.144 5.849 ( 7.208 -0.396 -8.267) 10.975 5.969 ( 1.383 -1.390 6.129) 6.435 6.076 ( 3.628 9.478 1.942) 10.333 6.195 ( 3.081 -5.174 0.859) 6.083 6.397 ( -1.471 -2.802 0.441) 3.195 6.426 ( 4.366 -2.065 2.292) 5.346 6.549 ( -8.885 -1.106 5.836) 10.687 6.683 ( 3.490 -3.838 -1.380) 5.368 6.787 ( -2.248 -6.022 4.215) 7.687 6.852 ( -1.625 -0.379 3.946) 4.285 6.901 ( -0.092 -3.951 -0.151) 3.955 6.985 ( -1.788 -5.581 -0.563) 5.888 7.214 ( 2.253 1.459 -2.153) 3.441 7.243 ( -3.592 -2.686 -2.369) 5.073 7.467 ( 0.312 -0.503 0.796) 0.992 7.542 ( 5.825 -9.986 2.633) 11.857 7.587 ( -3.598 1.023 6.054) 7.116 7.685 ( 3.938 -3.903 0.510) 5.567 7.757 ( -7.284 -4.123 0.291) 8.375 7.915 ( 4.521 6.222 3.426) 8.420 7.945 ( -2.667 3.080 -3.322) 5.256 8.103 ( -1.162 -7.688 -2.309) 8.111 8.158 ( -4.241 6.543 -3.570) 8.576 8.216 ( 0.866 2.396 3.406) 4.254 8.522 ( -1.463 11.741 5.306) 12.967 8.715 ( 1.125 7.847 1.161) 8.012 8.832 ( -3.066 6.206 -0.623) 6.950 9.089 ( -7.457 -2.746 -1.562) 8.098 9.363 ( -7.707 -0.395 -0.236) 7.720 9.525 ( -5.146 1.100 0.824) 5.327 9.639 ( -6.156 -1.550 2.429) 6.797 9.885 ( -5.613 -0.294 1.593) 5.842 10.275 ( -4.197 -0.261 -14.693) 15.283 16.704 ( 2.664 -1.330 0.744) 3.069 16.793 ( 1.606 -0.240 0.840) 1.828 16.817 ( 3.165 0.665 0.210) 3.241 16.896 ( -1.187 0.175 -2.275) 2.572 17.096 ( -2.787 0.073 1.124) 3.006 17.112 ( -3.364 -0.452 2.084) 3.983 17.168 ( -3.085 1.985 0.762) 3.747 17.224 ( -2.825 0.322 -1.569) 3.248 22.547 ( 0.040 -0.165 0.720) 0.740 22.579 ( -1.068 -0.128 -1.124) 1.556 22.794 ( -0.339 0.429 0.930) 1.079 22.812 ( -0.969 0.601 -0.788) 1.386 26.405 ( 0.904 -0.049 0.703) 1.146 26.436 ( 0.221 -0.491 -0.769) 0.938 26.520 ( 0.163 1.074 0.504) 1.197 26.532 ( 0.351 0.700 0.350) 0.858 35.597 ( -1.732 -4.063 -4.285) 6.154 35.771 ( 2.175 -9.572 -0.477) 9.827 35.822 ( 2.999 0.190 5.176) 5.985 36.003 ( 10.253 8.304 -2.358) 13.403 36.229 ( 11.677 10.126 -2.160) 15.606 36.376 ( 11.037 -6.750 -6.407) 14.437 37.722 ( -1.601 -7.743 0.360) 7.915 37.902 ( 0.819 -5.593 9.920) 11.417 ======================= Grid point 91 (39/136) ======================= q-point: ( 0.27 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 14.695 -2.385 13.067) 19.809 2.213 ( 7.783 6.044 1.081) 9.914 2.383 ( 8.403 2.007 9.390) 12.760 2.540 ( 7.836 3.091 0.536) 8.441 2.746 ( 2.048 5.115 0.884) 5.581 3.117 ( 4.329 -0.829 7.030) 8.297 3.364 ( 4.851 -6.014 1.807) 7.935 3.546 ( 5.032 1.461 -3.371) 6.231 3.768 ( -0.088 -5.889 -4.778) 7.584 3.889 ( 0.673 7.073 -7.167) 10.092 3.998 ( 0.761 1.169 2.542) 2.899 4.126 ( 1.992 3.715 3.233) 5.312 4.205 ( -7.268 0.290 5.660) 9.217 4.402 ( 0.555 0.249 -1.061) 1.223 4.571 ( -6.195 -5.276 -5.062) 9.583 4.611 ( -0.884 -2.751 9.148) 9.593 4.771 ( -2.415 0.432 -10.346) 10.633 4.907 ( 6.974 -1.494 3.432) 7.915 4.998 ( 3.318 1.428 -6.565) 7.493 5.109 ( 1.790 -4.193 -3.713) 5.880 5.228 ( 7.304 -5.221 -1.823) 9.161 5.342 ( 6.118 -2.443 -3.488) 7.455 5.465 ( 0.687 4.794 -1.714) 5.138 5.527 ( 1.454 9.154 -3.618) 9.950 5.628 ( 5.904 -2.907 2.201) 6.939 5.720 ( -1.472 -2.250 0.016) 2.689 5.855 ( -0.703 -3.187 3.796) 5.007 5.954 ( 11.564 1.116 -5.921) 13.040 6.068 ( 3.138 1.729 6.475) 7.401 6.193 ( 0.014 4.843 3.220) 5.816 6.258 ( 9.847 3.910 -6.368) 12.361 6.332 ( -5.881 3.553 2.907) 7.460 6.442 ( -8.951 1.252 5.066) 10.361 6.515 ( 2.880 -6.299 2.042) 7.221 6.616 ( -2.337 -1.234 -4.939) 5.601 6.791 ( -0.580 -0.699 2.239) 2.416 6.839 ( -4.378 -8.020 -1.473) 9.255 6.951 ( 5.133 -3.396 -0.409) 6.168 7.042 ( 5.736 0.146 4.773) 7.464 7.138 ( -3.977 0.062 -3.445) 5.262 7.325 ( 7.708 -0.938 1.990) 8.016 7.435 ( -3.085 -0.670 -0.138) 3.160 7.488 ( -7.614 -2.712 -4.095) 9.060 7.613 ( -7.144 2.040 1.335) 7.548 7.673 ( 7.996 -10.833 -1.746) 13.577 7.777 ( -2.057 -4.687 -0.635) 5.158 7.887 ( -0.778 -1.188 2.408) 2.795 7.991 ( -0.412 -3.430 1.098) 3.625 8.076 ( 2.470 -0.961 3.469) 4.365 8.135 ( 3.452 6.598 -1.669) 7.631 8.299 ( 3.268 1.904 3.374) 5.068 8.551 ( -2.109 9.780 6.430) 11.893 8.698 ( -1.962 4.620 -4.621) 6.823 8.758 ( -2.890 7.663 -2.210) 8.483 8.951 ( -5.875 2.759 -2.815) 7.074 9.265 ( -5.612 -0.960 1.958) 6.021 9.435 ( -6.407 0.974 0.872) 6.539 9.540 ( -6.529 1.557 -1.626) 6.907 9.810 ( -9.331 -6.293 4.410) 12.088 10.042 ( -9.081 0.700 -7.639) 11.887 16.750 ( 2.026 -2.023 0.540) 2.913 16.796 ( -1.302 -1.475 -1.090) 2.250 16.844 ( 2.007 1.333 -1.844) 3.034 16.885 ( -0.409 0.549 0.710) 0.987 17.048 ( -4.531 0.076 1.210) 4.690 17.091 ( -2.805 -0.004 2.748) 3.927 17.138 ( -1.097 1.266 -0.168) 1.683 17.182 ( 0.145 0.644 -0.799) 1.036 22.550 ( -0.527 -0.082 -0.180) 0.563 22.560 ( -0.194 0.091 0.012) 0.215 22.785 ( -0.624 0.356 -0.864) 1.124 22.800 ( -0.474 0.292 0.658) 0.862 26.426 ( 0.735 -0.332 0.549) 0.976 26.434 ( 0.463 -0.175 -0.450) 0.669 26.525 ( 0.062 0.521 0.154) 0.547 26.536 ( 0.067 0.776 -0.220) 0.809 35.535 ( -0.027 -3.409 -4.100) 5.333 35.757 ( -0.031 -7.824 -2.764) 8.298 35.900 ( -0.066 0.049 5.861) 5.861 36.148 ( 10.355 8.613 -3.223) 13.849 36.414 ( 8.080 -3.117 0.077) 8.660 36.507 ( 13.879 4.765 -1.932) 14.801 37.681 ( -1.120 -3.846 -3.852) 5.557 38.033 ( 1.143 -6.640 10.789) 12.720 ======================= Grid point 92 (40/136) ======================= q-point: ( 0.36 0.14 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( 5.544 2.234 -5.834) 8.353 2.303 ( 6.311 -5.647 -1.464) 8.594 2.622 ( 8.372 4.554 7.222) 11.958 2.697 ( 8.725 5.734 3.105) 10.893 2.858 ( 7.988 5.769 2.533) 10.174 3.230 ( -1.083 -2.378 6.313) 6.832 3.475 ( 4.154 0.105 4.006) 5.772 3.605 ( 2.866 4.085 0.908) 5.072 3.715 ( -6.346 3.297 -1.347) 7.277 3.734 ( 1.245 -0.884 -3.602) 3.912 3.871 ( -2.107 -2.920 -7.421) 8.249 4.099 ( -11.893 -3.854 2.739) 12.798 4.300 ( -7.307 -2.786 3.362) 8.513 4.401 ( 1.319 1.108 -3.806) 4.177 4.444 ( -6.192 1.922 1.140) 6.583 4.478 ( 4.380 2.340 2.621) 5.616 4.843 ( -3.921 -8.923 -4.833) 10.879 4.934 ( 1.515 -0.965 -1.582) 2.393 5.116 ( 7.012 -7.141 -1.234) 10.084 5.143 ( 12.912 -1.958 -1.348) 13.129 5.260 ( -5.774 -1.529 -2.772) 6.585 5.369 ( 2.429 -1.022 9.891) 10.236 5.491 ( 8.618 1.403 -6.203) 10.710 5.609 ( 6.442 2.666 0.785) 7.016 5.744 ( 6.106 -1.539 2.823) 6.901 5.794 ( 2.566 1.216 0.945) 2.993 5.825 ( 0.813 -8.257 -2.073) 8.552 6.019 ( 2.745 5.967 -4.550) 7.990 6.123 ( -1.748 5.942 0.329) 6.202 6.192 ( -0.023 5.866 -2.403) 6.340 6.259 ( 10.154 -0.082 -1.341) 10.243 6.353 ( -5.364 3.273 2.710) 6.843 6.473 ( 1.839 6.593 4.413) 8.144 6.550 ( 1.159 -6.816 -3.535) 7.765 6.577 ( 4.427 0.559 0.505) 4.490 6.707 ( -9.787 -2.419 -1.068) 10.138 6.854 ( 2.529 -1.779 3.744) 4.856 6.982 ( 0.533 -1.513 -4.814) 5.074 7.066 ( -0.720 0.605 1.371) 1.663 7.187 ( 5.245 0.819 3.038) 6.117 7.285 ( -7.391 0.234 -5.982) 9.512 7.369 ( -3.101 3.311 -0.409) 4.554 7.491 ( -1.605 -1.625 2.024) 3.052 7.509 ( 1.984 -3.265 1.000) 3.950 7.726 ( -3.040 0.436 -0.091) 3.072 7.781 ( 8.606 -15.969 -5.449) 18.941 7.857 ( -0.063 -1.134 -0.263) 1.166 8.019 ( -2.649 -1.491 3.606) 4.716 8.154 ( -0.100 3.012 0.538) 3.061 8.199 ( 2.883 -5.644 5.804) 8.594 8.372 ( 2.078 5.976 1.506) 6.503 8.583 ( -2.601 0.725 0.278) 2.714 8.613 ( 0.733 6.244 0.477) 6.305 8.738 ( 3.494 5.704 -1.020) 6.766 8.846 ( -2.957 8.236 -3.820) 9.548 9.212 ( -3.837 -2.448 1.043) 4.670 9.359 ( -4.345 1.124 2.025) 4.924 9.410 ( -6.275 0.495 -2.487) 6.768 9.644 ( -10.572 -5.533 -3.521) 12.442 9.864 ( -11.288 2.360 4.093) 12.237 16.757 ( -0.452 -0.820 -2.336) 2.517 16.782 ( 1.140 -1.781 0.277) 2.133 16.849 ( -0.244 0.764 -1.346) 1.567 16.865 ( -0.466 0.964 -1.248) 1.644 16.989 ( -3.940 0.295 1.073) 4.094 17.080 ( -1.916 -0.962 2.583) 3.357 17.123 ( -0.519 0.746 -0.020) 0.909 17.208 ( 1.843 0.575 0.726) 2.062 22.538 ( -0.347 0.379 -0.324) 0.608 22.561 ( -0.056 -0.014 0.093) 0.109 22.771 ( -0.180 0.297 -0.550) 0.651 22.799 ( -0.408 0.006 0.364) 0.547 26.435 ( 0.570 -0.251 -0.218) 0.660 26.445 ( 0.371 -0.384 0.495) 0.728 26.525 ( -0.033 0.473 -0.092) 0.483 26.532 ( 0.010 0.433 -0.493) 0.656 35.515 ( 1.661 -3.318 -2.213) 4.321 35.744 ( 0.503 -6.989 0.292) 7.013 35.948 ( -1.773 -0.327 5.923) 6.191 36.250 ( 7.503 9.308 -4.754) 12.866 36.486 ( 5.187 -7.818 -3.429) 9.989 36.745 ( 9.794 8.382 6.808) 14.579 37.613 ( -0.123 -1.307 -6.426) 6.559 38.134 ( -1.107 -7.433 6.749) 10.101 ======================= Grid point 93 (41/136) ======================= q-point: ( 0.45 0.14 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 3.765 -2.450 -8.114) 9.275 2.287 ( -0.384 -6.509 -5.367) 8.445 2.743 ( 0.913 12.044 -1.693) 12.197 2.830 ( 1.259 2.601 2.342) 3.720 2.999 ( 6.961 2.011 -0.389) 7.256 3.186 ( -7.161 -0.513 1.056) 7.256 3.438 ( -6.131 4.748 -8.681) 11.641 3.593 ( -2.551 3.886 2.526) 5.291 3.702 ( -0.144 6.822 7.299) 9.992 3.791 ( 4.978 -2.516 -2.276) 6.024 3.943 ( 0.018 -3.226 3.476) 4.742 3.956 ( 7.369 -1.857 7.558) 10.718 4.252 ( -6.281 -4.577 5.976) 9.804 4.309 ( -3.676 -1.451 3.983) 5.611 4.488 ( 1.824 2.186 3.943) 4.863 4.591 ( 0.842 3.982 3.030) 5.074 4.704 ( 0.441 -9.550 -6.493) 11.557 4.985 ( 5.717 -1.608 -2.434) 6.419 5.129 ( 1.815 -3.294 -1.017) 3.896 5.165 ( -3.423 -9.862 -2.667) 10.774 5.284 ( 2.901 1.972 -0.913) 3.624 5.423 ( -6.077 -4.429 3.596) 8.335 5.581 ( 8.457 -3.374 -4.368) 10.099 5.662 ( -1.133 -4.873 -5.009) 7.080 5.692 ( 0.513 -2.503 1.273) 2.855 5.852 ( 1.689 -2.266 -6.608) 7.187 5.950 ( 6.516 5.038 1.449) 8.363 6.023 ( 0.316 3.748 -0.375) 3.779 6.106 ( -1.006 4.979 -1.105) 5.198 6.201 ( -1.027 11.459 -4.377) 12.309 6.230 ( -4.604 4.738 -6.365) 9.174 6.408 ( 3.157 3.215 0.937) 4.603 6.486 ( 5.712 -2.505 3.286) 7.049 6.549 ( -9.583 0.114 7.068) 11.909 6.570 ( 0.776 -8.518 0.361) 8.561 6.689 ( 6.827 8.634 3.866) 11.666 6.904 ( -2.150 -1.795 -1.338) 3.103 6.950 ( 1.871 -2.951 -2.263) 4.163 7.067 ( -0.840 1.600 -3.457) 3.900 7.156 ( 2.244 1.759 -2.456) 3.762 7.266 ( 2.265 -1.358 2.655) 3.745 7.343 ( 0.407 4.243 -0.814) 4.340 7.468 ( -3.232 -2.465 3.066) 5.092 7.591 ( 2.747 -0.084 2.460) 3.688 7.659 ( -4.556 -4.007 -0.791) 6.119 7.794 ( 2.175 -0.897 -3.132) 3.918 7.935 ( 0.278 -3.971 -1.400) 4.220 8.004 ( 3.747 -6.065 2.951) 7.716 8.111 ( -4.439 -4.101 1.429) 6.210 8.268 ( -0.246 0.913 0.413) 1.032 8.377 ( -2.881 2.110 0.811) 3.662 8.552 ( -0.362 2.157 0.540) 2.253 8.668 ( 1.844 7.884 3.497) 8.820 8.774 ( 2.381 9.174 -5.864) 11.145 8.828 ( 1.423 -1.005 1.271) 2.157 9.132 ( -3.387 -4.446 -4.762) 7.343 9.336 ( -0.303 -1.441 1.029) 1.796 9.347 ( -2.040 0.587 3.270) 3.898 9.504 ( -0.144 0.918 -0.897) 1.292 9.735 ( -10.025 1.233 3.905) 10.830 16.733 ( 0.743 -0.371 -2.626) 2.754 16.796 ( -0.232 -1.423 0.055) 1.443 16.807 ( -0.493 0.799 -2.525) 2.694 16.863 ( 1.088 1.148 -1.427) 2.130 16.952 ( -2.132 0.424 1.297) 2.531 17.080 ( -1.207 -2.025 1.890) 3.021 17.124 ( 0.074 0.660 0.937) 1.149 17.230 ( 0.149 0.439 0.111) 0.476 22.533 ( 0.053 0.475 -0.095) 0.487 22.559 ( -0.113 0.055 -0.224) 0.257 22.768 ( 0.281 0.199 -0.048) 0.348 22.794 ( -0.371 -0.088 0.035) 0.383 26.442 ( 0.448 -0.180 -0.060) 0.487 26.451 ( -0.218 -0.525 0.474) 0.740 26.521 ( -0.136 0.485 -0.431) 0.663 26.531 ( 0.350 0.102 -0.225) 0.428 35.539 ( 2.158 -3.524 0.692) 4.189 35.783 ( 1.151 -7.525 4.313) 8.750 35.965 ( -3.431 -0.400 5.181) 6.227 36.284 ( 3.930 10.643 -6.430) 13.041 36.532 ( 3.451 -9.186 -0.620) 9.832 36.919 ( 1.177 9.176 8.231) 12.383 37.566 ( 3.854 -0.734 -6.716) 7.778 38.118 ( -5.402 -7.187 -0.288) 8.996 ======================= Grid point 94 (42/136) ======================= q-point: (-0.45 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( -7.672 -8.269 -13.141) 17.318 2.294 ( 0.618 -1.176 -0.714) 1.508 2.605 ( -8.627 9.047 -10.476) 16.310 2.728 ( -11.911 1.985 -3.875) 12.681 3.004 ( -2.844 -4.112 -4.965) 7.046 3.103 ( -8.368 8.670 9.503) 15.346 3.289 ( 1.277 5.762 -10.482) 12.029 3.631 ( 4.001 2.770 7.379) 8.840 3.796 ( 5.196 -2.026 1.721) 5.836 3.902 ( 5.083 3.480 11.243) 12.820 4.081 ( 2.056 -1.734 -1.516) 3.087 4.156 ( 10.269 0.860 8.983) 13.670 4.222 ( -5.253 -4.377 7.121) 9.872 4.376 ( 5.188 -4.663 7.720) 10.405 4.527 ( -6.435 0.617 5.195) 8.294 4.587 ( 0.885 2.100 0.224) 2.290 4.781 ( 11.359 -8.960 -3.165) 14.809 5.029 ( -1.629 -3.681 -0.458) 4.052 5.076 ( -2.056 -7.205 -6.791) 10.112 5.167 ( -10.889 1.202 -0.338) 10.961 5.191 ( 3.818 -0.716 -0.244) 3.892 5.364 ( -1.632 0.435 -0.694) 1.826 5.525 ( -7.481 -2.592 -7.352) 10.804 5.617 ( 1.008 3.112 -4.731) 5.752 5.747 ( 7.311 -1.174 -0.925) 7.462 5.822 ( -3.200 -4.025 0.062) 5.142 5.849 ( -11.033 4.660 -7.802) 14.294 5.970 ( -1.057 0.771 -4.324) 4.517 6.026 ( -0.100 4.078 3.072) 5.107 6.130 ( 0.136 3.537 -0.263) 3.549 6.256 ( 1.627 8.695 -1.501) 8.973 6.387 ( -4.501 2.835 -3.541) 6.390 6.480 ( -2.425 1.566 3.867) 4.825 6.577 ( -0.742 -8.249 2.004) 8.521 6.666 ( 4.684 -4.421 -3.576) 7.367 6.792 ( -4.009 -5.431 0.270) 6.756 6.863 ( 4.896 -3.603 -3.406) 6.968 6.966 ( 7.240 6.576 3.344) 10.337 7.048 ( -1.246 3.193 1.534) 3.756 7.263 ( 6.178 3.604 0.552) 7.174 7.305 ( -2.374 -1.172 4.611) 5.317 7.346 ( 0.756 1.092 -0.849) 1.576 7.432 ( -3.585 1.275 4.016) 5.532 7.558 ( -4.831 -6.868 -2.367) 8.724 7.681 ( 4.893 2.949 3.058) 6.480 7.789 ( -0.817 1.543 -1.247) 2.146 7.895 ( 0.857 -1.334 -1.030) 1.891 8.053 ( -1.469 -0.017 -3.596) 3.884 8.109 ( -4.919 -9.719 3.413) 11.415 8.208 ( -1.098 -8.304 0.849) 8.419 8.341 ( -1.514 6.528 -0.237) 6.706 8.575 ( 0.862 3.115 1.906) 3.753 8.700 ( 0.303 8.945 -0.778) 8.984 8.727 ( -5.057 2.707 -3.257) 6.596 8.858 ( 5.970 5.544 1.567) 8.297 9.056 ( 0.647 -3.411 -5.559) 6.554 9.338 ( -1.090 -0.938 2.127) 2.567 9.398 ( 4.157 -0.964 2.136) 4.772 9.577 ( -1.259 -1.892 1.808) 2.904 9.733 ( 12.811 2.088 3.389) 13.415 16.719 ( 0.735 -0.464 -2.733) 2.868 16.764 ( -0.081 1.206 -2.350) 2.643 16.805 ( 0.672 -0.850 -1.273) 1.672 16.866 ( 1.293 0.876 -1.413) 2.107 16.950 ( 0.022 0.410 1.500) 1.555 17.079 ( -0.741 -2.285 0.954) 2.585 17.144 ( 0.447 0.335 1.950) 2.028 17.220 ( -0.977 0.597 -0.055) 1.146 22.537 ( 0.391 0.317 0.054) 0.506 22.553 ( -0.121 0.192 -0.425) 0.482 22.778 ( 0.653 0.115 0.324) 0.738 22.787 ( -0.372 -0.023 -0.286) 0.470 26.444 ( -0.431 -0.356 0.065) 0.563 26.450 ( -0.248 -0.089 0.430) 0.504 26.515 ( 0.062 -0.251 -0.596) 0.650 26.535 ( 0.280 0.392 -0.155) 0.506 35.590 ( 1.425 -4.043 3.212) 5.357 35.855 ( 0.376 -8.507 5.015) 9.882 35.952 ( -4.290 -0.500 5.003) 6.609 36.243 ( 0.326 11.667 -7.161) 13.693 36.581 ( 0.680 -10.737 2.875) 11.136 36.952 ( -5.595 11.302 6.322) 14.108 37.609 ( 7.344 -2.654 -2.853) 8.313 37.961 ( -8.803 -5.898 -6.861) 12.623 ======================= Grid point 95 (43/136) ======================= q-point: (-0.36 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -14.067 -2.238 -10.257) 17.553 2.155 ( -14.479 6.683 -10.711) 19.210 2.399 ( -7.868 0.072 3.614) 8.659 2.456 ( -11.753 2.460 -7.372) 14.090 2.865 ( -6.430 -2.022 -6.145) 9.121 3.134 ( -3.985 7.571 14.686) 16.996 3.240 ( 6.443 -1.009 -11.513) 13.232 3.803 ( 2.988 -3.022 10.466) 11.295 3.910 ( 5.581 -0.989 2.678) 6.269 4.035 ( -4.486 -0.380 -4.817) 6.593 4.125 ( 3.868 -3.748 9.940) 11.306 4.247 ( -18.883 -0.155 -4.605) 19.437 4.262 ( 0.588 7.739 11.854) 14.169 4.409 ( -3.484 -1.406 -2.950) 4.777 4.547 ( -6.479 -5.531 10.614) 13.610 4.583 ( 9.570 -0.654 6.265) 11.457 4.797 ( 4.658 -0.855 -7.421) 8.803 4.943 ( -0.663 -3.857 -3.261) 5.094 5.007 ( 1.958 -0.736 0.051) 2.092 5.165 ( 4.836 0.206 -5.272) 7.157 5.226 ( -3.401 -1.676 -1.147) 3.961 5.347 ( -4.388 5.761 -4.195) 8.369 5.365 ( 6.888 2.374 -3.529) 8.096 5.556 ( -0.880 -4.799 -10.728) 11.785 5.693 ( -3.171 1.331 -5.044) 6.105 5.702 ( -2.657 2.729 0.319) 3.823 5.854 ( 0.139 4.011 5.890) 7.127 5.957 ( -4.671 0.799 8.062) 9.351 6.080 ( 4.371 0.866 -2.309) 5.019 6.117 ( 0.829 0.266 0.806) 1.187 6.190 ( -8.256 -0.484 -5.798) 10.100 6.289 ( -0.041 2.246 0.803) 2.385 6.515 ( 0.731 -2.757 -0.050) 2.852 6.543 ( -4.316 -9.404 -4.907) 11.452 6.634 ( 4.231 -1.205 -2.925) 5.283 6.741 ( -5.219 -2.047 6.625) 8.679 6.884 ( -3.248 -0.345 -1.517) 3.602 6.989 ( -2.546 -1.818 -5.211) 6.078 7.132 ( 0.170 3.305 6.832) 7.591 7.212 ( -2.013 0.578 3.438) 4.026 7.320 ( 0.519 -0.202 -3.595) 3.638 7.411 ( -3.369 1.699 0.120) 3.776 7.473 ( 7.398 0.145 5.073) 8.972 7.485 ( -0.667 0.891 -1.139) 1.593 7.745 ( -1.858 -5.692 -3.900) 7.146 7.795 ( -1.948 -3.950 0.077) 4.405 7.896 ( 0.774 0.341 2.818) 2.942 7.968 ( 1.711 4.252 -2.452) 5.198 8.035 ( -3.588 -9.742 1.892) 10.552 8.249 ( -1.013 -0.457 2.811) 3.023 8.304 ( -3.463 8.467 -0.231) 9.150 8.558 ( -5.803 6.865 3.158) 9.527 8.675 ( 3.807 6.822 -5.640) 9.635 8.693 ( 0.718 4.772 -0.283) 4.834 8.993 ( 7.170 0.600 2.075) 7.488 9.039 ( 4.514 -3.643 -4.255) 7.194 9.380 ( 3.772 -1.964 1.568) 4.532 9.439 ( 0.185 -1.452 -0.677) 1.613 9.636 ( 8.234 2.657 1.434) 8.770 10.065 ( 19.179 -0.901 5.638) 20.011 16.693 ( -0.334 0.009 -2.397) 2.420 16.755 ( 1.793 1.175 -2.579) 3.354 16.789 ( -0.165 -0.193 -2.580) 2.592 16.879 ( 1.808 0.295 -0.572) 1.919 16.980 ( 1.608 0.103 1.401) 2.135 17.083 ( 0.245 -1.647 0.818) 1.855 17.172 ( -0.005 0.302 2.196) 2.217 17.211 ( -0.137 -0.033 0.645) 0.661 22.540 ( -0.101 0.072 -0.328) 0.351 22.554 ( 0.748 0.456 -0.091) 0.881 22.776 ( -0.430 0.146 -0.611) 0.762 22.795 ( 0.902 0.022 0.461) 1.013 26.429 ( -1.220 -0.065 -0.115) 1.227 26.455 ( -0.056 -0.270 0.663) 0.718 26.510 ( 0.063 -0.322 -0.546) 0.637 26.532 ( -0.187 0.293 -0.569) 0.667 35.644 ( 0.196 -4.787 4.185) 6.362 35.831 ( -4.297 -3.461 -2.995) 6.278 35.972 ( -3.052 -5.042 7.570) 9.594 36.173 ( -1.081 10.760 -2.733) 11.154 36.580 ( -5.408 -9.306 2.710) 11.099 36.926 ( -5.762 9.940 7.253) 13.587 37.668 ( -1.093 -8.361 -9.102) 12.407 37.769 ( -1.240 -2.239 0.340) 2.582 ======================= Grid point 96 (44/136) ======================= q-point: (-0.27 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -19.570 6.719 -1.102) 20.720 1.741 ( -20.942 14.061 -9.878) 27.089 2.225 ( -6.572 0.936 -4.815) 8.200 2.347 ( -10.867 -1.765 9.603) 14.608 2.707 ( -4.624 -4.094 -5.789) 8.465 3.139 ( -14.818 1.895 -9.974) 17.962 3.261 ( 0.823 5.994 9.903) 11.605 3.550 ( -29.482 4.147 -1.988) 29.838 3.864 ( -2.636 -8.855 -3.057) 9.732 3.978 ( -0.778 -6.551 -0.051) 6.597 4.052 ( 5.410 6.271 0.789) 8.320 4.233 ( 0.041 -9.102 3.850) 9.882 4.405 ( -3.823 -3.437 9.679) 10.959 4.467 ( 3.187 4.227 11.557) 12.712 4.624 ( -0.589 0.643 4.057) 4.149 4.769 ( 6.005 -2.689 1.283) 6.703 4.822 ( 7.019 -0.316 -6.809) 9.784 4.908 ( 2.924 0.354 2.850) 4.099 5.002 ( -2.360 3.368 -11.359) 12.081 5.057 ( 1.055 0.671 -4.634) 4.799 5.227 ( -0.574 0.765 -0.001) 0.957 5.260 ( -0.413 3.651 -3.528) 5.094 5.406 ( 0.068 -2.643 -10.071) 10.412 5.454 ( 1.648 0.623 -5.546) 5.819 5.552 ( 5.427 5.270 -11.881) 14.085 5.835 ( 3.094 1.024 8.999) 9.571 5.903 ( -4.435 -1.555 5.444) 7.192 5.923 ( -8.495 -1.090 5.111) 9.973 6.018 ( 2.016 4.562 -1.968) 5.362 6.124 ( -5.319 -0.042 3.564) 6.403 6.150 ( 5.286 1.968 -0.153) 5.643 6.332 ( -1.136 -5.699 2.267) 6.237 6.409 ( -0.161 -7.796 -2.403) 8.159 6.542 ( -1.450 -8.028 0.893) 8.206 6.593 ( -7.845 1.086 -1.279) 8.022 6.761 ( 1.334 2.779 5.544) 6.343 6.822 ( -4.048 -0.046 1.578) 4.345 6.858 ( -4.574 -3.208 -4.769) 7.345 7.133 ( -5.339 -5.700 1.119) 7.889 7.232 ( 0.694 1.145 -1.706) 2.168 7.326 ( 2.909 -0.346 -0.571) 2.985 7.378 ( -1.426 3.798 1.155) 4.218 7.471 ( 0.908 1.697 1.092) 2.213 7.498 ( -8.005 -8.948 -8.103) 14.485 7.685 ( 5.381 -2.823 2.695) 6.647 7.780 ( 1.737 -3.038 -0.212) 3.506 7.920 ( -2.644 4.974 -4.208) 7.032 7.982 ( -1.364 -9.175 1.947) 9.478 8.046 ( -0.036 7.160 2.280) 7.514 8.237 ( -2.654 4.172 1.494) 5.166 8.264 ( -0.619 10.425 3.780) 11.106 8.529 ( -2.180 6.078 2.802) 7.039 8.632 ( -1.352 5.630 -3.693) 6.867 8.723 ( 3.093 3.609 -2.572) 5.405 9.104 ( 5.123 -3.479 -0.644) 6.226 9.132 ( 10.401 -4.087 -1.179) 11.237 9.448 ( 2.618 -2.139 -0.946) 3.511 9.478 ( 6.086 -1.662 1.133) 6.410 9.809 ( 10.165 6.816 1.537) 12.335 10.428 ( 18.508 -0.258 5.306) 19.255 16.669 ( -0.064 0.774 -1.325) 1.536 16.736 ( -1.570 -0.339 -2.427) 2.911 16.767 ( 1.952 1.790 -3.151) 4.116 16.912 ( 2.436 -0.326 0.100) 2.459 17.026 ( 2.403 -0.395 1.151) 2.694 17.107 ( 1.400 -0.484 1.292) 1.966 17.185 ( -0.926 -0.632 1.920) 2.223 17.232 ( 1.412 -0.447 0.812) 1.689 22.535 ( 0.005 0.500 -0.145) 0.521 22.568 ( 1.167 0.455 -0.426) 1.323 22.761 ( -0.501 0.365 -0.785) 1.001 22.814 ( 0.978 -0.092 0.339) 1.039 26.407 ( -1.244 0.191 -0.142) 1.267 26.460 ( -0.231 -0.759 0.787) 1.118 26.505 ( -0.124 0.146 -0.404) 0.447 26.516 ( -0.683 -0.005 -1.089) 1.285 35.678 ( -1.827 -4.535 1.581) 5.139 35.693 ( -4.600 -2.600 -5.345) 7.516 35.969 ( -4.140 1.586 4.092) 6.033 36.171 ( -1.235 2.048 4.286) 4.908 36.467 ( -8.834 -6.695 -1.811) 11.231 36.880 ( -12.568 5.369 8.269) 15.973 37.504 ( 2.155 -6.178 -12.261) 13.898 37.858 ( -0.349 -9.648 10.319) 14.131 ======================= Grid point 97 (45/136) ======================= q-point: (-0.18 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -23.685 16.167 10.136) 30.415 1.316 ( -21.507 23.991 -4.469) 32.528 2.151 ( -0.641 -0.744 0.644) 1.174 2.222 ( -30.545 0.579 6.920) 31.324 2.330 ( -33.760 7.572 6.237) 35.157 2.791 ( 3.858 1.406 -6.103) 7.355 3.277 ( -0.126 1.778 -11.868) 12.002 3.407 ( -7.122 -2.829 13.757) 15.748 3.790 ( -0.888 -10.243 -1.767) 10.433 3.937 ( -4.576 -6.977 -1.007) 8.405 4.153 ( 6.356 5.169 -1.826) 8.394 4.223 ( -1.715 -3.822 -0.462) 4.214 4.349 ( -9.040 1.499 -0.225) 9.167 4.578 ( -3.556 -1.066 3.943) 5.416 4.648 ( -2.130 -3.648 5.927) 7.279 4.786 ( 7.246 -1.575 -6.214) 9.675 4.878 ( 5.614 -2.048 -4.711) 7.609 4.927 ( 4.447 -4.382 2.301) 6.654 5.042 ( 1.396 3.270 3.671) 5.111 5.081 ( 3.723 3.442 -2.925) 5.854 5.179 ( -3.274 7.499 -3.721) 8.989 5.212 ( -0.322 3.371 -0.409) 3.410 5.353 ( 1.055 0.445 -2.748) 2.977 5.388 ( 6.537 2.313 -9.579) 11.826 5.583 ( 1.626 0.361 -2.382) 2.906 5.734 ( -4.582 -2.194 -4.996) 7.125 5.875 ( -1.481 -0.397 2.410) 2.856 6.017 ( -4.446 -1.017 5.097) 6.840 6.042 ( 6.875 2.518 -6.569) 9.836 6.083 ( -0.871 -0.570 6.480) 6.563 6.226 ( -4.096 -2.526 -3.395) 5.889 6.325 ( -2.725 -1.366 4.509) 5.443 6.367 ( -2.373 -0.586 4.289) 4.937 6.520 ( 2.103 -6.971 5.848) 9.339 6.624 ( -0.048 -5.538 3.211) 6.402 6.683 ( -4.223 -3.001 -1.526) 5.401 6.779 ( -2.860 3.796 2.447) 5.345 6.853 ( -2.018 0.344 2.080) 2.919 7.046 ( -3.467 -3.266 0.533) 4.792 7.182 ( -2.524 -10.296 -6.726) 12.554 7.297 ( -3.023 -0.323 -4.978) 5.833 7.330 ( -0.399 0.584 -2.030) 2.150 7.412 ( 1.271 -4.167 1.687) 4.672 7.542 ( 1.973 -2.870 4.485) 5.678 7.751 ( -4.644 -1.212 -0.144) 4.802 7.802 ( 0.356 9.480 -3.699) 10.182 7.843 ( 4.515 -0.227 1.483) 4.758 7.961 ( -1.966 -3.739 1.091) 4.362 8.058 ( 0.372 7.976 1.272) 8.085 8.202 ( -3.757 5.498 0.883) 6.717 8.309 ( -0.701 7.269 1.630) 7.482 8.539 ( 1.028 3.325 2.419) 4.239 8.605 ( 0.510 2.418 0.659) 2.557 8.731 ( 2.719 6.264 -4.247) 8.042 9.151 ( 0.745 -5.128 0.195) 5.185 9.292 ( 10.266 -7.304 -1.233) 12.660 9.503 ( 4.808 -0.815 -0.134) 4.879 9.582 ( 5.485 -1.328 0.695) 5.686 9.970 ( 8.523 10.874 0.069) 13.817 10.757 ( 17.781 3.258 1.154) 18.114 16.664 ( 0.190 1.131 -0.713) 1.350 16.680 ( -1.851 0.034 -1.459) 2.358 16.768 ( 1.446 1.576 -1.752) 2.765 16.954 ( 2.463 -0.664 0.085) 2.552 17.078 ( 2.555 -0.492 0.958) 2.773 17.148 ( 1.592 0.319 1.426) 2.160 17.185 ( -1.333 -1.971 1.096) 2.620 17.263 ( 1.591 -0.489 0.370) 1.705 22.543 ( 0.806 1.226 0.781) 1.662 22.577 ( 1.378 1.189 -1.712) 2.499 22.746 ( -0.404 0.576 -0.546) 0.891 22.831 ( 0.805 -0.210 0.089) 0.837 26.389 ( -0.944 0.356 0.009) 1.009 26.463 ( -0.495 -1.180 0.599) 1.413 26.489 ( -0.680 0.055 -0.994) 1.206 26.501 ( -0.226 0.276 -0.200) 0.409 35.527 ( -4.765 -1.408 -6.273) 8.002 35.696 ( -0.638 -4.902 1.570) 5.187 35.953 ( -2.022 5.542 2.506) 6.410 36.185 ( -3.347 -3.387 3.185) 5.729 36.254 ( -12.261 -10.014 -7.248) 17.411 36.686 ( -16.875 3.451 2.227) 17.368 37.507 ( 7.376 -6.469 -4.275) 10.702 37.933 ( -9.400 -21.055 17.056) 28.681 ======================= Grid point 98 (46/136) ======================= q-point: (-0.09 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -22.576 21.928 3.971) 31.722 1.048 ( -19.193 29.264 15.047) 38.094 1.555 ( -42.207 26.415 24.740) 55.599 2.194 ( -7.681 -0.664 10.907) 13.356 2.243 ( -1.595 -1.206 9.710) 9.914 2.866 ( 7.533 -7.002 -4.627) 11.278 3.137 ( 0.040 2.205 -7.401) 7.723 3.433 ( -4.874 -2.203 8.645) 10.166 3.761 ( -3.998 -6.930 -6.314) 10.192 3.819 ( -3.145 -4.459 -1.146) 5.575 4.157 ( 4.390 -6.775 -11.520) 14.067 4.221 ( 2.462 6.645 -0.850) 7.137 4.271 ( -3.942 0.898 6.775) 7.889 4.472 ( -4.283 -0.710 -7.608) 8.759 4.664 ( -1.214 -0.001 8.050) 8.141 4.872 ( -6.013 -4.554 -6.500) 9.957 4.935 ( 5.276 1.300 -3.945) 6.714 4.984 ( 7.596 -8.322 1.710) 11.396 5.065 ( 4.172 -2.532 4.431) 6.592 5.090 ( 1.306 2.212 -0.922) 2.730 5.162 ( 0.274 6.831 -1.458) 6.990 5.247 ( 3.572 6.959 5.325) 9.463 5.370 ( 5.650 0.236 -7.372) 9.291 5.431 ( 0.195 1.113 3.874) 4.036 5.501 ( -6.905 0.633 0.038) 6.934 5.710 ( 4.547 -2.949 -3.926) 6.692 5.873 ( -0.860 1.011 -0.146) 1.335 5.975 ( -5.734 2.108 3.248) 6.919 6.092 ( 3.846 -2.371 -4.152) 6.137 6.124 ( 4.203 0.106 -2.736) 5.016 6.155 ( -2.415 -3.532 4.682) 6.342 6.225 ( -2.096 1.407 -2.080) 3.271 6.373 ( -1.899 -1.208 -5.296) 5.754 6.549 ( -5.112 -9.772 3.536) 11.581 6.591 ( -2.843 -4.863 1.466) 5.820 6.684 ( -3.874 3.588 1.780) 5.572 6.807 ( -2.003 -2.701 5.358) 6.325 6.894 ( 6.183 -6.264 0.513) 8.817 7.029 ( 0.514 -8.127 6.923) 10.688 7.146 ( 3.548 -4.158 -0.187) 5.469 7.217 ( -1.759 -0.835 -1.687) 2.576 7.325 ( -0.484 5.142 0.830) 5.231 7.430 ( -0.411 -4.488 -0.827) 4.582 7.546 ( -6.646 0.777 0.568) 6.715 7.669 ( -0.266 -3.416 5.121) 6.161 7.824 ( -1.697 1.269 -0.200) 2.128 7.921 ( 1.608 3.275 -0.858) 3.748 7.979 ( 2.363 1.480 5.350) 6.033 8.069 ( -0.762 5.581 1.213) 5.762 8.170 ( -0.455 4.861 5.070) 7.039 8.291 ( -1.339 3.256 -0.052) 3.521 8.580 ( 1.015 -2.312 -0.794) 2.646 8.642 ( 0.353 3.330 2.423) 4.133 8.758 ( 6.661 10.489 -1.490) 12.515 9.135 ( -3.594 -5.417 2.207) 6.865 9.417 ( 5.470 -11.234 1.026) 12.537 9.588 ( 5.993 -0.380 -1.818) 6.275 9.667 ( 3.983 -1.710 1.369) 4.546 10.073 ( 5.881 13.881 -2.740) 15.323 10.962 ( 14.341 9.796 -18.001) 25.013 16.628 ( -0.702 0.198 -1.914) 2.048 16.681 ( -0.117 0.377 1.415) 1.469 16.779 ( 0.563 0.775 -0.105) 0.963 16.986 ( 1.393 -1.134 -0.248) 1.813 17.124 ( 1.996 0.077 0.806) 2.154 17.158 ( -2.258 -1.465 0.135) 2.695 17.181 ( 1.123 1.094 0.595) 1.677 17.290 ( 1.073 -0.450 0.550) 1.287 22.559 ( -0.177 0.426 -0.851) 0.968 22.602 ( 4.762 3.296 -0.696) 5.833 22.741 ( 0.343 1.100 0.224) 1.174 22.841 ( 0.422 -0.246 -0.049) 0.491 26.378 ( -0.521 0.395 0.208) 0.686 26.452 ( -0.471 -1.203 -0.595) 1.423 26.483 ( 0.087 0.204 0.708) 0.741 26.498 ( -0.128 0.461 0.306) 0.568 35.428 ( -1.500 -1.947 -2.876) 3.783 35.673 ( -6.585 -5.915 -4.084) 9.748 35.833 ( -19.922 -5.898 -8.231) 22.348 35.952 ( -0.752 5.856 0.578) 5.933 36.181 ( -4.601 -6.729 4.881) 9.501 36.441 ( -11.736 2.594 -3.027) 12.395 37.600 ( 4.383 -8.635 2.778) 10.075 37.880 ( -21.984 -30.035 20.805) 42.641 ======================= Grid point 99 (47/136) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.315 25.401 5.645) 26.022 1.374 ( -11.036 19.727 22.181) 31.669 2.108 ( -1.480 2.255 10.630) 10.967 2.204 ( -3.198 -1.873 9.156) 9.878 2.427 ( -0.414 20.928 17.386) 27.211 2.790 ( 8.380 -0.388 -2.546) 8.767 3.090 ( -4.439 -4.732 7.532) 9.941 3.452 ( 3.988 4.549 -7.216) 9.417 3.582 ( -0.471 -0.410 -6.557) 6.586 3.798 ( -1.720 4.832 6.744) 8.473 3.980 ( 8.538 -9.722 -12.895) 18.267 4.154 ( 1.712 -6.560 -9.604) 11.756 4.262 ( -3.186 -3.793 2.105) 5.382 4.364 ( -3.778 -0.531 -5.339) 6.562 4.671 ( -5.839 0.047 -1.468) 6.021 4.748 ( 6.264 -5.587 6.152) 10.407 4.924 ( 1.222 -3.991 0.724) 4.236 4.980 ( 1.470 -0.828 -1.878) 2.524 5.019 ( -0.598 2.057 0.212) 2.153 5.138 ( -2.963 1.479 3.570) 4.870 5.313 ( 5.157 2.252 -2.268) 6.067 5.342 ( -2.066 -0.122 -0.777) 2.211 5.386 ( 0.894 2.694 -3.905) 4.828 5.447 ( -1.751 0.751 3.490) 3.976 5.538 ( 5.068 2.934 1.340) 6.007 5.683 ( 3.996 -4.186 -0.402) 5.801 5.798 ( -5.063 -1.624 0.225) 5.322 5.929 ( -4.638 -2.072 -5.552) 7.525 5.945 ( -4.884 -7.577 2.617) 9.386 5.996 ( -4.657 -6.372 3.779) 8.750 6.204 ( 4.994 -10.294 4.368) 12.247 6.237 ( 2.334 -3.067 -2.404) 4.543 6.286 ( 5.132 4.153 -4.915) 8.231 6.407 ( -1.939 6.720 -3.958) 8.037 6.566 ( 0.555 3.254 -0.812) 3.400 6.677 ( 0.602 -3.052 0.226) 3.119 6.801 ( -0.559 -2.166 -1.156) 2.519 6.840 ( 2.819 -3.884 0.711) 4.851 6.930 ( 3.122 -1.584 0.193) 3.507 7.181 ( -0.327 -1.394 -1.024) 1.760 7.213 ( -1.403 -0.016 5.284) 5.467 7.370 ( 0.702 2.372 -1.487) 2.886 7.464 ( -0.173 -3.158 4.175) 5.238 7.533 ( -9.260 0.664 2.924) 9.733 7.701 ( 4.769 -9.654 -2.064) 10.964 7.710 ( -0.201 6.503 2.849) 7.102 7.914 ( -3.372 -2.376 -2.969) 5.082 7.991 ( -0.376 2.155 0.364) 2.217 8.209 ( 0.200 2.923 2.924) 4.139 8.289 ( -0.914 3.714 -2.436) 4.535 8.393 ( 5.880 3.395 10.009) 12.094 8.620 ( -4.039 10.375 1.482) 11.231 8.754 ( -1.447 6.857 0.967) 7.074 9.007 ( 0.882 6.394 0.404) 6.467 9.064 ( 0.820 -4.047 3.069) 5.145 9.253 ( 1.480 -12.414 7.530) 14.595 9.494 ( -1.440 -6.693 -3.377) 7.634 9.648 ( 1.439 -5.945 2.771) 6.715 10.343 ( -0.849 14.147 -8.667) 16.612 10.902 ( -1.418 -0.441 -24.233) 24.279 16.633 ( 1.473 0.634 -0.043) 1.604 16.686 ( 0.313 -0.994 2.304) 2.529 16.801 ( 0.599 2.425 -2.123) 3.278 16.949 ( -0.099 -2.062 -1.695) 2.671 17.142 ( -1.067 0.359 0.911) 1.448 17.156 ( -0.598 -0.032 0.733) 0.946 17.236 ( 0.319 1.488 1.909) 2.441 17.296 ( -0.400 -0.551 1.188) 1.370 22.557 ( -0.306 0.676 -0.794) 1.086 22.622 ( 0.088 -1.418 -1.731) 2.239 22.796 ( 0.667 1.386 0.552) 1.634 22.843 ( 0.315 -0.299 0.156) 0.461 26.384 ( -0.029 0.491 0.135) 0.510 26.425 ( 0.229 -0.958 -0.451) 1.084 26.510 ( 0.495 0.500 1.683) 1.824 26.516 ( 0.269 0.412 1.048) 1.157 35.403 ( 3.374 0.157 3.474) 4.846 35.468 ( 0.126 -2.029 3.921) 4.417 35.754 ( -1.112 1.479 1.955) 2.692 35.984 ( 1.655 -3.291 -0.778) 3.765 36.109 ( -2.997 3.746 0.891) 4.880 36.318 ( -3.135 1.312 -4.376) 5.540 37.463 ( -3.262 -6.216 9.658) 11.940 37.612 ( 0.541 -7.105 3.133) 7.784 ======================= Grid point 100 (48/136) ======================= q-point: ( 0.09 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 5.650 16.919 15.630) 23.716 1.652 ( 14.499 15.259 19.535) 28.717 2.180 ( -0.858 -3.007 8.373) 8.938 2.309 ( 2.002 -0.217 9.302) 9.518 2.607 ( 3.166 1.968 9.076) 9.812 2.974 ( 13.782 7.720 1.199) 15.842 3.073 ( -1.615 3.940 2.303) 4.841 3.411 ( -4.218 1.259 -1.301) 4.590 3.580 ( 11.943 3.648 -7.382) 14.506 3.847 ( 0.684 -0.148 2.922) 3.004 4.048 ( 6.584 -8.665 -5.138) 12.034 4.094 ( 0.301 -6.169 0.022) 6.177 4.232 ( -2.513 4.031 -3.440) 5.865 4.280 ( 0.553 -5.004 0.645) 5.075 4.598 ( -0.092 -4.171 -2.389) 4.808 4.784 ( -1.842 -2.448 -4.215) 5.210 4.856 ( -5.302 3.479 -5.600) 8.460 5.022 ( 0.897 -1.950 0.305) 2.168 5.068 ( 4.475 0.727 1.506) 4.777 5.106 ( -2.626 3.718 2.818) 5.354 5.250 ( -5.322 -2.597 -1.856) 6.206 5.346 ( 4.602 4.649 -7.881) 10.242 5.386 ( 0.386 3.933 -2.508) 4.681 5.513 ( 3.646 -0.029 3.236) 4.875 5.644 ( 7.895 3.585 -2.961) 9.162 5.693 ( 0.784 2.561 -0.059) 2.679 5.768 ( -0.722 -5.163 3.044) 6.037 5.843 ( 1.377 0.200 -0.513) 1.482 5.936 ( 1.421 -12.333 1.037) 12.458 5.993 ( -3.753 -2.198 3.106) 5.345 6.179 ( -2.530 3.174 -1.139) 4.216 6.268 ( 0.091 -8.883 2.063) 9.120 6.326 ( 5.796 1.119 -2.212) 6.304 6.457 ( 5.118 -3.722 -0.905) 6.393 6.574 ( 1.116 2.305 -0.709) 2.658 6.694 ( -1.768 1.084 6.690) 7.004 6.798 ( 0.904 -3.403 -0.357) 3.539 6.865 ( 0.708 -4.964 -0.677) 5.060 6.985 ( 1.644 -2.682 1.401) 3.443 7.129 ( -4.047 -5.530 1.045) 6.932 7.293 ( -3.466 2.167 -5.862) 7.146 7.316 ( 7.031 -0.109 2.569) 7.486 7.399 ( -6.452 -4.924 -1.293) 8.219 7.527 ( -1.253 -4.187 5.968) 7.397 7.704 ( -1.181 0.480 -0.535) 1.382 7.717 ( -0.718 -9.223 -2.793) 9.663 7.905 ( 2.407 4.196 2.181) 5.306 7.970 ( -2.165 -2.043 -1.917) 3.541 8.197 ( -1.138 5.207 0.649) 5.370 8.277 ( -0.232 11.946 -0.985) 11.989 8.514 ( -6.038 8.740 0.967) 10.667 8.623 ( 5.338 6.259 7.354) 11.034 8.758 ( -1.077 5.408 4.490) 7.111 8.986 ( -3.405 3.621 -0.503) 4.996 9.102 ( -2.343 -3.461 3.254) 5.297 9.338 ( -0.017 -13.683 2.337) 13.881 9.437 ( -2.079 -2.415 3.741) 4.914 9.675 ( -3.652 -3.384 4.903) 6.988 10.172 ( -6.476 11.270 -11.151) 17.126 10.567 ( -6.446 1.099 -22.820) 23.739 16.664 ( 1.749 0.745 0.376) 1.938 16.730 ( 1.394 -1.162 2.660) 3.220 16.803 ( 2.769 2.053 -2.000) 3.985 16.921 ( -0.485 -1.589 -2.335) 2.866 17.126 ( -2.196 0.261 1.184) 2.508 17.138 ( -2.494 -0.177 1.068) 2.719 17.239 ( -2.346 1.493 1.561) 3.189 17.281 ( -2.565 -0.065 0.468) 2.608 22.547 ( -0.182 0.477 -0.224) 0.557 22.597 ( -0.720 -1.026 -1.514) 1.965 22.805 ( -0.352 1.044 0.865) 1.400 22.840 ( -0.613 0.062 -0.231) 0.658 26.391 ( 0.540 0.341 0.257) 0.688 26.426 ( 0.365 -0.780 -0.479) 0.985 26.531 ( 0.131 0.798 1.150) 1.406 26.533 ( 0.247 0.687 1.362) 1.545 35.523 ( 4.637 -3.318 1.446) 5.882 35.569 ( 3.404 -3.344 4.174) 6.340 35.757 ( 0.436 2.171 2.565) 3.389 36.036 ( 8.363 1.258 -4.052) 9.377 36.126 ( 4.357 -1.350 0.799) 4.630 36.285 ( 5.662 3.567 -5.716) 8.801 37.526 ( -0.222 -6.958 6.407) 9.461 37.668 ( 1.065 -7.761 5.177) 9.390 ======================= Grid point 101 (49/136) ======================= q-point: ( 0.18 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 9.922 7.616 18.618) 22.429 2.088 ( 14.107 9.691 13.801) 21.986 2.283 ( 4.219 0.285 6.588) 7.828 2.436 ( 6.349 1.701 3.592) 7.490 2.732 ( 4.160 -1.360 4.869) 6.547 3.006 ( 2.582 -2.075 -3.216) 4.617 3.240 ( 3.972 5.652 1.507) 7.071 3.404 ( 10.011 0.809 -2.876) 10.447 3.759 ( 9.355 -1.870 0.787) 9.573 3.842 ( 1.189 1.316 -5.337) 5.624 4.037 ( 5.095 -5.605 -0.688) 7.606 4.096 ( -3.835 -1.521 -0.576) 4.166 4.230 ( 2.027 -2.102 -3.046) 4.219 4.377 ( 1.628 8.254 17.442) 19.365 4.587 ( -4.197 -3.799 -6.480) 8.605 4.647 ( -3.565 -4.025 -10.888) 12.143 4.731 ( 2.007 -0.749 -0.207) 2.152 5.006 ( -5.450 -0.161 -1.471) 5.647 5.056 ( -0.245 -2.557 -6.420) 6.914 5.110 ( -4.819 0.427 0.463) 4.860 5.186 ( 4.600 3.951 3.208) 6.860 5.275 ( 1.173 11.036 -11.190) 15.760 5.439 ( 7.151 1.369 0.108) 7.281 5.574 ( -0.620 -1.870 0.622) 2.066 5.678 ( -2.003 -0.438 5.883) 6.230 5.799 ( -2.397 5.889 1.789) 6.606 5.806 ( 11.036 -1.190 -3.695) 11.699 5.881 ( -3.248 -2.103 -6.788) 7.814 5.910 ( 4.382 -0.643 2.910) 5.300 6.039 ( 9.216 -5.564 1.868) 10.927 6.225 ( 4.926 1.306 6.271) 8.080 6.286 ( 1.353 -2.700 1.112) 3.218 6.435 ( 1.831 -9.590 -1.010) 9.815 6.488 ( -1.049 2.961 2.756) 4.179 6.580 ( 3.942 -4.483 -0.127) 5.972 6.728 ( -3.051 3.220 4.307) 6.183 6.835 ( 2.356 -4.065 2.975) 5.561 6.867 ( 0.754 -2.740 -1.291) 3.122 6.948 ( -5.638 2.292 0.566) 6.112 7.123 ( 2.585 -9.019 -1.667) 9.529 7.208 ( 1.745 -2.254 -4.356) 5.206 7.318 ( -0.475 -8.997 -2.198) 9.274 7.448 ( 1.987 -2.063 1.805) 3.386 7.520 ( -1.478 -5.052 -0.424) 5.281 7.668 ( -0.661 -1.079 -0.407) 1.329 7.708 ( -0.260 -2.635 2.266) 3.485 7.879 ( -3.176 -3.214 -4.961) 6.711 7.947 ( -0.990 -0.805 2.485) 2.794 8.215 ( -2.741 12.986 -1.899) 13.407 8.239 ( -0.030 7.193 1.441) 7.336 8.435 ( -1.233 12.424 -0.098) 12.485 8.722 ( -2.460 7.762 5.519) 9.836 8.830 ( 1.779 3.946 3.681) 5.682 8.894 ( -5.356 -0.424 -0.369) 5.385 9.034 ( -5.771 -2.750 -1.890) 6.666 9.304 ( -2.083 -6.481 -1.088) 6.894 9.514 ( -1.462 -1.145 9.469) 9.649 9.622 ( -9.991 0.021 6.181) 11.748 9.940 ( -8.213 5.824 -9.346) 13.738 10.254 ( -6.731 -2.128 -15.848) 17.349 16.692 ( 1.651 0.135 0.017) 1.657 16.769 ( 0.146 -1.671 1.629) 2.338 16.840 ( 3.232 1.223 -1.152) 3.643 16.894 ( 0.107 -0.439 -1.568) 1.632 17.099 ( -3.396 0.270 1.974) 3.938 17.109 ( -2.678 -0.022 1.932) 3.302 17.202 ( -2.967 1.401 0.122) 3.284 17.231 ( -3.046 0.316 -0.760) 3.155 22.547 ( 0.001 0.120 0.305) 0.328 22.573 ( -0.582 -0.481 -0.972) 1.231 22.805 ( -0.615 0.654 0.561) 1.058 22.822 ( -1.081 0.371 -0.393) 1.209 26.405 ( 0.810 0.119 0.407) 0.914 26.426 ( 0.350 -0.496 -0.444) 0.752 26.540 ( -0.235 0.908 0.649) 1.141 26.547 ( 0.125 0.728 0.647) 0.982 35.529 ( -1.439 -2.662 -2.644) 4.019 35.618 ( -0.010 -6.144 1.044) 6.232 35.836 ( 2.404 1.557 4.785) 5.577 36.150 ( 9.142 -0.587 -3.200) 9.704 36.232 ( 8.378 1.001 -0.688) 8.466 36.406 ( 16.422 6.319 -4.940) 18.276 37.577 ( 1.346 -6.076 1.510) 6.404 37.756 ( 1.138 -8.891 7.980) 12.000 ======================= Grid point 102 (50/136) ======================= q-point: ( 0.27 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 9.512 1.190 12.938) 16.103 2.300 ( 1.120 0.212 3.922) 4.085 2.472 ( 10.434 8.331 7.770) 15.449 2.625 ( 13.594 5.995 -0.750) 14.876 2.839 ( 5.334 3.626 2.707) 6.995 3.106 ( 6.578 -0.655 5.297) 8.471 3.281 ( 4.539 -2.964 1.372) 5.592 3.550 ( 10.233 -0.437 -3.533) 10.835 3.690 ( -2.953 -0.465 -4.966) 5.796 3.874 ( 1.044 -10.855 -7.267) 13.104 4.014 ( -3.822 3.867 -2.701) 6.071 4.142 ( -4.149 -3.213 -0.214) 5.252 4.284 ( 9.011 5.128 7.156) 12.598 4.391 ( -6.422 -2.002 -4.232) 7.947 4.457 ( -4.386 -6.414 -8.970) 11.867 4.604 ( -3.309 1.961 7.400) 8.340 4.778 ( 1.066 2.998 2.302) 3.928 4.919 ( 1.020 3.632 0.680) 3.833 5.001 ( -4.821 0.202 -1.833) 5.162 5.053 ( -0.400 -5.081 3.615) 6.249 5.219 ( 7.232 6.915 -9.336) 13.685 5.333 ( 6.582 0.064 0.549) 6.605 5.512 ( -6.401 -2.844 0.549) 7.026 5.577 ( 6.714 0.289 3.706) 7.674 5.649 ( -4.459 0.716 -0.175) 4.519 5.712 ( 0.969 5.603 -6.955) 8.983 5.833 ( -0.950 0.874 1.479) 1.963 5.965 ( 14.842 -0.395 -6.095) 16.050 6.047 ( 4.961 -6.344 6.292) 10.220 6.204 ( 5.284 1.075 1.859) 5.704 6.321 ( 0.627 -2.554 2.586) 3.689 6.382 ( -0.907 -5.164 1.002) 5.338 6.406 ( -6.684 -0.065 -0.816) 6.734 6.459 ( 12.781 6.230 1.658) 14.315 6.635 ( 1.109 -0.952 -4.155) 4.405 6.728 ( -1.854 -0.215 2.974) 3.511 6.839 ( -1.022 3.786 0.808) 4.004 6.905 ( 3.707 0.170 0.727) 3.782 7.007 ( 6.731 -3.760 5.940) 9.733 7.115 ( 0.355 -1.182 -3.598) 3.804 7.258 ( 4.407 -16.776 -6.159) 18.406 7.280 ( 2.272 -5.963 0.404) 6.394 7.446 ( -4.139 -1.720 -2.961) 5.372 7.463 ( 0.791 -3.496 -1.384) 3.842 7.707 ( 3.020 0.273 0.402) 3.059 7.726 ( -4.246 3.806 4.776) 7.438 7.833 ( 3.523 -6.491 0.495) 7.402 7.922 ( -4.362 -0.594 0.240) 4.409 8.112 ( -4.562 4.477 -1.201) 6.503 8.241 ( -2.674 5.059 0.573) 5.751 8.487 ( 5.152 11.694 0.591) 12.793 8.683 ( -8.731 2.756 3.067) 9.656 8.739 ( -3.662 3.223 -2.968) 5.710 8.906 ( -2.924 3.961 -2.151) 5.373 8.959 ( 0.723 -0.653 2.359) 2.552 9.262 ( -2.550 -0.055 -0.346) 2.574 9.458 ( -9.191 1.396 0.260) 9.300 9.587 ( -6.664 0.313 9.636) 11.721 9.704 ( -10.539 -0.833 -7.649) 13.049 10.030 ( -7.808 -2.224 -4.705) 9.384 16.721 ( 1.846 -0.845 -0.002) 2.030 16.765 ( -0.835 -1.650 -0.651) 1.961 16.865 ( 1.438 0.877 -1.047) 1.983 16.890 ( -0.261 0.020 -0.143) 0.298 17.055 ( -4.594 0.668 1.915) 5.021 17.089 ( -3.329 -0.181 2.631) 4.247 17.161 ( -1.297 1.101 -0.917) 1.933 17.194 ( 0.175 0.407 -0.711) 0.838 22.549 ( -0.139 0.075 0.173) 0.235 22.560 ( -0.124 -0.099 -0.262) 0.306 22.794 ( -0.737 0.504 -0.560) 1.054 22.806 ( -0.790 0.242 0.294) 0.877 26.421 ( 0.561 -0.131 0.279) 0.640 26.430 ( 0.586 -0.234 -0.159) 0.651 26.538 ( -0.386 0.730 0.082) 0.830 26.550 ( -0.130 0.552 -0.135) 0.583 35.478 ( -0.823 -2.087 -2.501) 3.360 35.609 ( -0.498 -6.877 -0.971) 6.963 35.907 ( -0.115 0.969 5.207) 5.298 36.227 ( 3.991 -7.803 -1.015) 8.823 36.385 ( 12.642 9.905 -4.491) 16.676 36.656 ( 16.853 7.051 -0.215) 18.270 37.596 ( 1.878 -4.201 -3.162) 5.583 37.864 ( 0.638 -10.215 9.155) 13.732 ======================= Grid point 103 (51/136) ======================= q-point: ( 0.36 0.29 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 3.918 -2.575 -1.828) 5.032 2.298 ( -0.518 0.065 -2.500) 2.554 2.749 ( 11.975 8.696 8.441) 17.037 2.809 ( 8.957 6.253 1.783) 11.068 2.963 ( 6.177 2.547 0.100) 6.682 3.222 ( 2.480 3.611 4.181) 6.056 3.471 ( 12.171 -3.606 1.400) 12.770 3.621 ( 0.765 -2.109 0.211) 2.253 3.695 ( 8.058 4.391 -2.334) 9.469 3.756 ( -1.374 -4.716 -4.133) 6.420 3.923 ( -4.778 6.449 -1.568) 8.178 4.003 ( -10.972 -4.190 -1.874) 11.893 4.227 ( -8.783 -4.415 0.045) 9.830 4.353 ( 1.474 -7.577 -2.572) 8.136 4.459 ( -10.662 0.132 2.562) 10.966 4.542 ( 7.907 3.000 3.824) 9.281 4.720 ( -9.634 -1.394 -0.480) 9.746 4.892 ( -3.182 -1.504 -1.202) 3.719 5.009 ( 0.855 -3.284 -2.000) 3.939 5.172 ( 6.414 2.538 5.623) 8.899 5.269 ( -1.474 1.279 -2.049) 2.830 5.326 ( 2.724 -0.999 1.543) 3.286 5.487 ( 0.722 -8.281 0.333) 8.319 5.598 ( -4.039 -0.116 -2.774) 4.901 5.635 ( 2.245 2.262 -1.006) 3.341 5.782 ( 8.530 -0.884 0.592) 8.596 5.878 ( 6.849 3.880 0.423) 7.883 6.107 ( 12.249 1.567 -10.042) 15.916 6.186 ( 4.447 -9.912 3.402) 11.384 6.209 ( -2.095 3.795 2.098) 4.816 6.321 ( 1.906 2.494 -4.584) 5.555 6.361 ( 1.128 0.678 3.065) 3.335 6.435 ( 2.133 2.138 4.008) 5.018 6.543 ( -5.756 2.259 -3.177) 6.952 6.686 ( -2.592 4.342 3.708) 6.270 6.737 ( 13.680 3.375 -2.192) 14.260 6.868 ( 0.742 3.960 2.423) 4.702 6.930 ( -0.172 -3.071 -4.411) 5.377 7.062 ( -0.203 0.802 1.254) 1.503 7.139 ( 0.535 -7.972 -0.140) 7.991 7.280 ( -4.752 -0.602 -6.114) 7.767 7.306 ( 10.163 -6.586 1.226) 12.172 7.425 ( 4.567 -3.858 4.486) 7.474 7.491 ( 3.264 -3.228 -2.950) 5.457 7.656 ( -3.928 5.896 -1.548) 7.251 7.760 ( 0.699 2.086 0.811) 2.345 7.841 ( -1.651 -0.416 -2.020) 2.642 7.937 ( 1.430 -6.428 4.871) 8.191 8.060 ( -4.572 -5.167 2.037) 7.194 8.206 ( -0.518 1.085 2.957) 3.192 8.522 ( -3.181 5.817 -0.961) 6.700 8.570 ( -5.037 -1.563 0.217) 5.278 8.721 ( 2.743 6.205 0.972) 6.854 8.835 ( -2.339 2.325 -1.511) 3.628 8.992 ( 1.482 6.362 -1.075) 6.620 9.196 ( -4.513 1.811 -2.242) 5.355 9.345 ( -4.693 -1.557 -0.461) 4.966 9.473 ( -6.983 0.523 -4.324) 8.230 9.543 ( -7.976 -0.346 4.559) 9.193 9.879 ( -10.825 -1.021 3.029) 11.287 16.740 ( 0.266 -0.781 -1.398) 1.623 16.752 ( 1.147 -1.243 -0.105) 1.695 16.861 ( -1.022 0.566 -1.035) 1.561 16.878 ( 0.271 0.324 -1.022) 1.106 17.001 ( -3.961 0.903 1.356) 4.283 17.060 ( -3.082 -1.045 2.152) 3.901 17.143 ( -0.157 1.269 -0.498) 1.372 17.212 ( 1.641 -0.260 0.010) 1.661 22.546 ( -0.175 0.442 -0.076) 0.482 22.560 ( 0.031 -0.070 0.066) 0.101 22.778 ( -0.336 0.487 -0.515) 0.784 22.798 ( -0.534 -0.080 0.171) 0.567 26.429 ( 0.382 -0.175 0.068) 0.426 26.440 ( 0.439 -0.236 0.179) 0.530 26.533 ( -0.050 0.377 -0.214) 0.436 26.541 ( -0.336 0.387 -0.627) 0.810 35.459 ( 0.562 -2.054 -0.701) 2.242 35.601 ( 0.123 -7.092 0.538) 7.113 35.947 ( -1.697 0.596 5.311) 5.607 36.274 ( 2.066 -9.737 1.015) 10.005 36.507 ( 10.244 13.088 -7.669) 18.304 36.913 ( 11.601 7.432 4.782) 14.584 37.571 ( 2.257 -2.481 -7.479) 8.197 37.947 ( -1.566 -11.245 6.802) 13.235 ======================= Grid point 104 (52/136) ======================= q-point: ( 0.45 0.29 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -0.921 -4.133 -10.836) 11.634 2.262 ( 0.718 -2.044 -4.072) 4.613 2.876 ( -1.682 2.936 -1.867) 3.865 2.951 ( 1.157 5.319 -0.132) 5.445 3.023 ( 2.493 3.972 -0.688) 4.740 3.275 ( 2.623 9.057 -1.031) 9.486 3.516 ( 1.152 1.889 -2.750) 3.529 3.665 ( -3.856 3.734 -0.347) 5.379 3.736 ( 3.010 -2.317 -2.831) 4.737 3.852 ( -1.263 5.159 -1.230) 5.452 3.877 ( 4.730 -1.289 6.098) 7.824 3.936 ( 10.151 0.203 10.464) 14.580 4.154 ( -8.422 -4.750 7.914) 12.495 4.301 ( -4.419 -1.435 1.157) 4.788 4.430 ( 3.162 -11.499 0.950) 11.964 4.544 ( -5.510 -1.922 -1.602) 6.051 4.663 ( 0.059 5.270 2.110) 5.677 4.904 ( 5.262 -7.874 1.421) 9.576 4.990 ( -1.470 -3.631 0.859) 4.010 5.106 ( -7.074 -0.873 0.921) 7.187 5.364 ( 1.613 3.045 2.926) 4.521 5.405 ( 3.002 2.184 1.566) 4.029 5.459 ( -3.957 -5.951 -4.718) 8.564 5.480 ( -1.482 -11.516 -1.143) 11.667 5.702 ( 5.579 3.146 -1.092) 6.497 5.839 ( 1.271 2.034 -1.254) 2.706 6.013 ( 5.497 0.594 -3.036) 6.308 6.147 ( 5.346 2.130 -7.264) 9.267 6.187 ( -3.377 3.302 0.420) 4.742 6.224 ( -2.232 -1.429 -3.572) 4.448 6.360 ( -4.624 -3.869 -2.387) 6.485 6.399 ( 11.716 0.465 -4.174) 12.446 6.472 ( 1.865 4.459 -1.807) 5.160 6.478 ( 0.651 1.967 7.391) 7.676 6.643 ( -3.151 6.812 -0.060) 7.506 6.794 ( -7.989 -0.545 -0.555) 8.026 6.886 ( 1.282 -3.356 -2.144) 4.184 6.977 ( 5.905 8.984 4.724) 11.743 7.060 ( 0.740 -1.938 -4.615) 5.060 7.157 ( 1.508 -0.811 -1.866) 2.532 7.225 ( 7.536 -1.449 1.729) 7.867 7.408 ( -2.565 -1.514 5.038) 5.852 7.464 ( -3.370 6.025 -2.166) 7.235 7.572 ( -0.931 -2.698 -5.040) 5.792 7.594 ( 8.084 -0.624 4.174) 9.120 7.812 ( 5.521 -1.081 0.428) 5.642 7.829 ( 0.211 -1.865 -0.062) 1.878 7.927 ( -4.520 -3.124 2.490) 6.032 8.019 ( -3.211 -4.220 3.841) 6.547 8.245 ( -5.191 -5.792 -0.815) 7.821 8.420 ( -1.765 2.364 1.322) 3.233 8.550 ( -0.591 -1.407 1.752) 2.323 8.788 ( 0.909 2.756 2.223) 3.656 8.810 ( 1.402 1.004 -0.023) 1.724 8.972 ( -0.042 8.331 -5.933) 10.228 9.096 ( -1.363 2.245 -4.415) 5.137 9.296 ( 1.294 -1.359 0.618) 1.975 9.407 ( -6.861 5.233 3.736) 9.403 9.497 ( 3.188 -1.782 -0.079) 3.653 9.738 ( -10.230 -1.384 3.407) 10.871 16.729 ( 0.599 -0.021 -1.796) 1.894 16.769 ( 0.503 -1.324 0.074) 1.418 16.828 ( -0.606 1.170 -1.965) 2.366 16.875 ( 0.719 0.067 -1.317) 1.502 16.966 ( -2.111 0.966 1.387) 2.704 17.041 ( -1.872 -1.889 1.778) 3.199 17.141 ( 0.336 1.247 -0.075) 1.294 17.229 ( 0.499 -0.645 -0.352) 0.888 22.544 ( -0.020 0.578 -0.033) 0.579 22.560 ( -0.058 0.012 -0.129) 0.142 22.774 ( 0.190 0.353 -0.142) 0.425 22.792 ( -0.314 -0.177 -0.045) 0.363 26.436 ( 0.166 -0.260 0.302) 0.432 26.445 ( 0.053 -0.202 0.181) 0.276 26.527 ( -0.207 0.178 -0.959) 0.997 26.534 ( 0.333 0.172 -0.238) 0.444 35.479 ( 0.969 -2.248 1.913) 3.106 35.628 ( 0.769 -7.678 3.152) 8.335 35.964 ( -3.069 0.623 4.978) 5.881 36.317 ( 0.541 -11.123 3.132) 11.568 36.548 ( 6.036 15.228 -9.025) 18.702 37.108 ( 3.220 8.419 8.785) 12.587 37.522 ( 4.606 -3.281 -11.363) 12.693 37.939 ( -5.412 -10.639 1.970) 12.098 ======================= Grid point 105 (53/136) ======================= q-point: (-0.45 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -4.563 -2.297 -10.491) 11.668 2.242 ( 0.596 -4.411 -1.785) 4.796 2.700 ( -10.783 2.584 -9.777) 14.783 2.810 ( -8.388 2.207 -9.901) 13.163 2.979 ( -5.814 4.030 -2.191) 7.406 3.296 ( -0.143 10.574 1.009) 10.623 3.437 ( -4.896 9.417 -7.038) 12.735 3.697 ( 3.185 -6.220 4.461) 8.290 3.735 ( 0.042 4.003 4.695) 6.170 3.965 ( 5.776 3.770 7.668) 10.314 3.982 ( -7.472 -6.880 2.378) 10.432 4.084 ( 10.936 -3.079 2.713) 11.681 4.278 ( 3.356 0.583 12.504) 12.960 4.304 ( 4.337 -3.157 5.303) 7.543 4.459 ( -2.113 -4.992 -0.025) 5.421 4.545 ( 7.474 -3.021 -1.391) 8.181 4.710 ( 2.888 0.744 5.102) 5.910 4.939 ( -4.880 -1.106 -1.265) 5.161 5.022 ( 2.100 -2.555 2.560) 4.182 5.090 ( 3.035 -6.259 4.147) 8.098 5.259 ( -7.836 4.911 -3.696) 9.959 5.362 ( -4.720 -11.831 -5.326) 13.807 5.460 ( 3.226 8.218 -1.134) 8.901 5.498 ( -0.213 -11.457 3.304) 11.926 5.748 ( 0.487 4.146 -0.761) 4.243 5.842 ( 0.254 1.820 1.064) 2.124 5.942 ( -7.923 3.806 -4.971) 10.098 6.029 ( -2.181 4.273 -8.663) 9.903 6.143 ( -0.923 5.404 -1.412) 5.661 6.177 ( -0.080 2.139 -1.223) 2.465 6.343 ( -0.250 -10.585 0.745) 10.614 6.376 ( -4.168 -3.903 -3.715) 6.812 6.476 ( -5.185 10.231 -6.190) 13.034 6.556 ( 5.760 4.936 -0.042) 7.586 6.630 ( -8.162 -2.639 0.701) 8.606 6.714 ( 5.964 0.244 -2.726) 6.562 6.813 ( 0.338 -1.731 -2.358) 2.945 7.002 ( 0.970 -4.082 -6.722) 7.924 7.123 ( 2.098 4.812 7.230) 8.935 7.250 ( 3.344 -3.419 4.446) 6.530 7.327 ( -3.989 2.064 2.411) 5.098 7.368 ( -1.902 0.519 -4.231) 4.668 7.420 ( 1.109 -2.278 6.782) 7.240 7.526 ( -0.943 4.283 -1.637) 4.681 7.714 ( 3.800 -0.872 2.051) 4.405 7.814 ( -2.717 0.543 -0.339) 2.791 7.865 ( 1.080 1.187 4.077) 4.382 7.938 ( -13.086 -6.992 -1.193) 14.885 8.026 ( 6.571 -8.216 4.122) 11.299 8.090 ( 1.649 1.482 -3.635) 4.258 8.477 ( 2.126 5.485 1.866) 6.171 8.574 ( 0.838 -1.459 2.470) 2.989 8.764 ( -4.016 0.861 0.142) 4.110 8.867 ( 2.445 -0.207 2.293) 3.358 8.932 ( 4.651 7.439 -6.261) 10.778 9.045 ( -0.186 3.069 -5.092) 5.949 9.327 ( -3.061 0.148 0.606) 3.124 9.406 ( 4.817 2.422 2.067) 5.775 9.542 ( -0.694 -1.712 3.502) 3.959 9.745 ( 10.617 -1.226 2.453) 10.966 16.718 ( 0.272 0.299 -1.753) 1.799 16.767 ( -0.480 -0.847 -0.116) 0.980 16.810 ( 1.250 1.332 -2.488) 3.086 16.874 ( 1.163 -0.133 -1.607) 1.989 16.963 ( -0.179 0.932 1.485) 1.762 17.037 ( -0.741 -1.932 1.398) 2.497 17.153 ( 0.808 0.670 0.519) 1.171 17.222 ( -0.498 -0.543 -0.708) 1.022 22.545 ( 0.091 0.445 -0.013) 0.455 22.557 ( 0.017 0.142 -0.216) 0.259 22.780 ( 0.609 0.170 0.117) 0.643 22.787 ( -0.153 -0.037 -0.267) 0.310 26.438 ( -0.432 -0.229 0.312) 0.580 26.447 ( -0.233 -0.260 0.421) 0.547 26.515 ( 0.155 0.239 -1.090) 1.127 26.538 ( 0.425 -0.094 -0.505) 0.667 35.522 ( 0.360 -2.562 3.952) 4.723 35.682 ( 0.513 -8.431 4.428) 9.537 35.953 ( -4.285 1.001 4.222) 6.098 36.348 ( -1.338 -12.097 3.296) 12.609 36.521 ( 1.582 16.186 -6.957) 17.689 37.182 ( -5.893 11.202 9.194) 15.644 37.497 ( 7.309 -8.787 -11.611) 16.292 37.823 ( -8.076 -7.877 -2.234) 11.500 ======================= Grid point 106 (54/136) ======================= q-point: (-0.36 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -8.313 4.298 -3.299) 9.923 2.209 ( -4.926 -1.779 -2.192) 5.677 2.430 ( -8.405 2.929 -6.162) 10.826 2.520 ( -10.589 3.046 -13.452) 17.389 2.838 ( -10.560 0.950 -0.328) 10.608 3.238 ( -9.107 3.160 -4.654) 10.705 3.331 ( 2.802 9.508 0.810) 9.945 3.773 ( -0.970 -10.267 4.407) 11.215 3.798 ( -0.658 -1.156 6.391) 6.528 3.905 ( -0.960 -7.625 -1.058) 7.758 4.135 ( 3.497 1.574 -1.063) 3.980 4.233 ( 3.814 0.251 -0.812) 3.907 4.333 ( 0.462 -4.142 5.092) 6.580 4.471 ( -0.094 -1.521 12.709) 12.800 4.481 ( -10.249 8.740 -0.453) 13.477 4.609 ( 5.694 4.037 7.268) 10.077 4.790 ( 5.894 -0.223 -2.751) 6.508 4.903 ( 2.650 0.033 1.123) 2.878 5.014 ( -3.843 0.995 4.298) 5.851 5.141 ( -2.420 -7.615 -3.451) 8.704 5.176 ( 1.292 -3.616 -5.580) 6.774 5.257 ( 0.897 -1.630 -1.957) 2.700 5.427 ( 1.973 -2.279 -3.838) 4.880 5.579 ( -0.274 6.501 4.554) 7.942 5.664 ( -4.227 -2.925 -2.371) 5.660 5.796 ( -2.595 6.028 -0.398) 6.575 5.914 ( 0.060 -3.606 0.478) 3.638 5.981 ( 0.727 6.394 3.719) 7.432 6.104 ( -0.536 3.420 -1.401) 3.734 6.154 ( -1.841 -0.808 -2.586) 3.276 6.215 ( -6.087 0.465 -6.274) 8.754 6.319 ( -0.776 4.190 -7.834) 8.918 6.333 ( -4.553 -8.908 -2.878) 10.410 6.458 ( -7.478 -3.587 -1.951) 8.520 6.647 ( 2.344 0.077 2.806) 3.658 6.740 ( 2.543 3.405 1.208) 4.418 6.852 ( -3.671 -4.318 -1.768) 5.937 6.892 ( -3.817 -5.241 -4.915) 8.136 7.174 ( -7.588 0.457 3.164) 8.234 7.249 ( 1.407 2.421 3.050) 4.141 7.311 ( -1.503 0.999 -1.041) 2.083 7.370 ( 0.868 -8.035 6.508) 10.377 7.496 ( -1.164 0.624 -3.779) 4.003 7.512 ( 3.353 0.973 2.457) 4.269 7.640 ( -12.033 -3.459 -4.811) 13.413 7.749 ( -0.981 -0.485 -2.072) 2.343 7.813 ( 1.111 -2.349 4.339) 5.057 7.978 ( 2.367 -1.727 6.378) 7.019 8.090 ( 4.080 6.433 -1.326) 7.732 8.222 ( 5.802 1.092 4.743) 7.573 8.490 ( -1.000 8.638 -0.656) 8.720 8.623 ( 1.359 -0.947 1.922) 2.537 8.717 ( 0.623 3.138 -1.420) 3.500 8.897 ( -4.118 8.841 -2.874) 10.168 8.949 ( 3.682 -4.843 2.380) 6.533 9.020 ( 7.745 2.773 -9.048) 12.229 9.318 ( 0.992 -3.757 0.184) 3.890 9.399 ( -1.303 -2.788 0.060) 3.078 9.718 ( 12.987 5.738 4.501) 14.894 10.034 ( 18.213 -2.568 5.403) 19.170 16.700 ( -0.343 0.726 -1.206) 1.449 16.757 ( -0.405 -0.745 -0.667) 1.079 16.807 ( 1.835 1.757 -2.978) 3.914 16.880 ( 1.621 -0.298 -1.267) 2.079 16.986 ( 1.096 0.543 1.113) 1.653 17.050 ( 0.505 -1.602 1.616) 2.331 17.176 ( 0.901 0.116 0.702) 1.148 17.207 ( -0.208 -0.491 -0.437) 0.689 22.544 ( -0.049 0.386 -0.072) 0.396 22.560 ( 0.602 0.181 -0.002) 0.629 22.780 ( -0.084 0.284 -0.578) 0.650 22.794 ( 0.876 -0.063 0.169) 0.895 26.429 ( -0.969 0.028 0.120) 0.977 26.447 ( -0.481 -0.512 0.613) 0.933 26.509 ( 0.510 0.245 -1.014) 1.161 26.534 ( -0.017 -0.175 -1.039) 1.054 35.567 ( -0.432 -2.841 4.442) 5.290 35.713 ( -1.699 -7.425 1.741) 7.813 35.922 ( -4.739 0.251 4.399) 6.471 36.328 ( -3.662 -9.444 0.232) 10.132 36.466 ( -2.918 12.688 -1.674) 13.126 37.140 ( -10.559 10.721 8.718) 17.391 37.457 ( 1.912 -12.792 -12.583) 18.045 37.694 ( -4.126 -5.448 -0.471) 6.851 ======================= Grid point 107 (55/136) ======================= q-point: (-0.27 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -13.343 13.265 7.464) 20.241 2.015 ( -8.203 11.551 -8.509) 16.526 2.253 ( -6.534 1.441 -8.503) 10.820 2.330 ( -9.020 1.579 6.169) 11.041 2.614 ( -14.241 -4.420 -1.612) 14.998 3.100 ( -3.902 -5.114 -4.015) 7.583 3.394 ( 1.941 6.243 3.104) 7.237 3.682 ( -12.549 2.271 -11.033) 16.864 3.799 ( -17.691 6.402 2.435) 18.971 3.814 ( -4.617 -9.519 -1.034) 10.630 4.038 ( -0.873 -4.155 4.563) 6.233 4.158 ( 3.071 1.611 -1.255) 3.688 4.371 ( 2.009 -0.108 3.465) 4.007 4.531 ( -0.032 2.401 10.244) 10.522 4.602 ( -0.682 -4.211 3.549) 5.549 4.728 ( 2.892 -1.996 0.934) 3.636 4.822 ( -3.345 0.782 -4.303) 5.506 4.936 ( 2.557 -1.443 3.290) 4.409 5.026 ( 0.425 -1.471 0.862) 1.757 5.058 ( -0.734 0.307 -7.778) 7.819 5.127 ( 8.773 -1.706 -5.505) 10.496 5.329 ( 5.098 2.344 1.894) 5.922 5.456 ( -4.779 5.033 -2.692) 7.444 5.494 ( 3.387 1.704 -1.666) 4.141 5.632 ( -0.862 3.027 -7.197) 7.855 5.826 ( -0.198 -3.612 -4.066) 5.443 5.884 ( -3.195 -2.463 13.598) 14.183 5.969 ( -9.087 7.627 -1.154) 11.920 6.102 ( 1.301 -1.253 -2.543) 3.120 6.107 ( -4.264 -3.931 -0.442) 5.817 6.130 ( 3.438 0.562 3.885) 5.218 6.214 ( -4.127 -4.147 -0.276) 5.857 6.286 ( 4.585 -0.849 -6.410) 7.927 6.408 ( -0.163 -5.059 3.703) 6.271 6.649 ( -5.582 2.696 1.474) 6.372 6.673 ( -9.533 -10.676 -1.826) 14.429 6.781 ( -1.077 -3.221 0.380) 3.417 6.876 ( 3.002 5.489 2.550) 6.756 7.049 ( -8.632 -3.772 -0.430) 9.430 7.251 ( -9.038 -1.537 -3.792) 9.922 7.298 ( 1.915 -2.439 -0.344) 3.120 7.331 ( -1.356 -4.215 -4.809) 6.537 7.439 ( -0.472 0.318 3.644) 3.688 7.531 ( -2.206 2.805 -0.568) 3.614 7.631 ( 8.278 -0.988 -0.135) 8.338 7.724 ( 0.157 -1.935 -0.286) 1.962 7.881 ( 1.174 -1.215 4.301) 4.621 8.013 ( -1.579 2.067 -0.496) 2.648 8.149 ( 1.485 3.613 1.704) 4.261 8.322 ( 0.778 7.495 3.631) 8.365 8.472 ( -0.259 9.383 1.977) 9.593 8.632 ( -1.792 4.386 1.196) 4.887 8.718 ( -2.121 2.514 -5.210) 6.161 8.819 ( 2.924 3.020 -0.293) 4.214 9.029 ( 3.042 -4.192 1.153) 5.306 9.060 ( 8.554 -0.403 -9.460) 12.761 9.343 ( 1.584 -7.421 1.926) 7.829 9.442 ( 5.489 -2.711 -0.130) 6.123 9.985 ( 14.182 10.435 3.817) 18.016 10.406 ( 19.918 -2.440 6.100) 20.974 16.687 ( -0.235 1.058 -0.321) 1.130 16.729 ( -1.619 -0.429 -1.676) 2.369 16.808 ( 2.001 2.268 -2.846) 4.153 16.901 ( 2.104 -0.787 -0.404) 2.283 17.021 ( 2.190 -0.009 0.787) 2.327 17.084 ( 0.944 -1.738 2.335) 3.060 17.182 ( 0.204 0.350 -0.442) 0.600 17.221 ( 1.526 -0.695 0.465) 1.740 22.546 ( 0.241 0.645 0.280) 0.743 22.574 ( 1.118 0.086 -0.092) 1.125 22.772 ( -0.032 0.733 -0.812) 1.094 22.811 ( 0.976 -0.328 -0.001) 1.030 26.413 ( -1.036 0.362 0.045) 1.099 26.445 ( -0.527 -0.774 0.623) 1.125 26.507 ( 0.323 0.101 -0.821) 0.888 26.515 ( -0.559 -0.121 -1.496) 1.601 35.600 ( -0.517 -3.006 3.203) 4.423 35.644 ( -5.418 -2.818 -3.457) 7.017 35.913 ( -3.458 -3.210 6.316) 7.884 36.235 ( -8.157 -10.860 -0.954) 13.616 36.381 ( -5.655 12.003 -0.987) 13.305 37.003 ( -18.574 4.649 8.096) 20.788 37.364 ( 5.808 -6.727 -11.923) 14.871 37.662 ( -4.347 -9.843 4.516) 11.670 ======================= Grid point 108 (56/136) ======================= q-point: (-0.18 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -16.674 18.575 7.890) 26.179 1.822 ( -15.270 25.540 3.172) 29.925 2.131 ( -5.012 -2.113 -0.514) 5.464 2.191 ( -12.713 -1.163 6.829) 14.478 2.439 ( -9.519 -0.071 3.110) 10.015 2.901 ( -12.627 5.656 -8.508) 16.243 3.262 ( -15.581 3.994 -2.714) 16.312 3.450 ( 2.281 4.730 0.596) 5.285 3.671 ( -3.686 -0.245 -1.495) 3.985 3.765 ( -0.984 -9.019 0.323) 9.078 4.095 ( 1.716 -4.950 -1.178) 5.370 4.266 ( 7.253 0.482 0.563) 7.291 4.380 ( -5.990 -2.219 1.681) 6.605 4.487 ( -6.139 -3.313 -2.506) 7.413 4.613 ( -3.353 -1.384 7.105) 7.977 4.720 ( 5.644 -5.531 -12.485) 14.776 4.790 ( -1.857 -6.304 7.990) 10.346 4.920 ( -1.336 -1.394 -1.939) 2.737 5.004 ( 1.670 1.145 -0.189) 2.033 5.119 ( 4.934 1.784 0.364) 5.259 5.266 ( 8.295 2.664 -5.144) 10.118 5.344 ( -2.820 5.918 -0.445) 6.571 5.418 ( 1.824 5.816 3.140) 6.856 5.490 ( -1.103 5.289 -2.899) 6.131 5.582 ( 0.313 0.093 -2.775) 2.795 5.704 ( -3.684 -4.653 -5.898) 8.367 5.797 ( -6.218 -3.150 -2.230) 7.318 5.982 ( -8.734 -3.491 4.284) 10.335 6.041 ( -0.141 -4.019 7.672) 8.662 6.105 ( 4.582 2.646 -2.945) 6.055 6.184 ( 4.522 0.318 -10.862) 11.769 6.235 ( -4.098 -7.938 8.310) 12.201 6.333 ( 2.821 0.117 4.104) 4.981 6.484 ( -2.401 1.701 6.109) 6.781 6.520 ( -4.827 -4.287 2.792) 7.034 6.624 ( 0.039 -1.501 3.744) 4.034 6.775 ( 1.268 -9.613 -3.008) 10.153 6.876 ( -4.965 3.641 0.606) 6.187 6.945 ( -2.779 -3.242 -4.861) 6.470 7.081 ( -1.732 0.101 -1.203) 2.111 7.282 ( -0.526 0.312 -4.454) 4.496 7.328 ( 1.172 -2.978 -0.979) 3.347 7.453 ( -0.114 3.651 0.081) 3.653 7.504 ( -0.037 1.032 1.817) 2.090 7.723 ( -0.233 -1.988 0.033) 2.002 7.758 ( 4.546 -5.742 1.206) 7.423 7.918 ( -3.814 3.415 1.383) 5.303 7.971 ( 1.314 3.620 0.297) 3.862 8.156 ( -0.264 3.081 -0.466) 3.127 8.344 ( -1.230 6.287 2.810) 6.995 8.445 ( -6.583 6.124 -4.516) 10.061 8.600 ( -0.694 6.006 3.470) 6.971 8.691 ( 1.813 6.358 2.099) 6.936 8.901 ( 5.571 5.485 -0.722) 7.851 9.053 ( 1.478 -5.382 -3.315) 6.492 9.099 ( 4.301 -8.221 -1.935) 9.478 9.420 ( 4.845 -6.999 1.766) 8.694 9.530 ( 5.230 -4.107 -0.542) 6.672 10.228 ( 11.968 14.179 1.127) 18.589 10.774 ( 19.758 -2.105 1.801) 19.951 16.677 ( -1.701 0.234 -1.954) 2.601 16.684 ( -0.834 0.258 0.345) 0.938 16.808 ( 1.312 2.421 -1.925) 3.360 16.934 ( 2.064 -1.358 -0.085) 2.472 17.072 ( 2.934 -0.027 0.948) 3.083 17.121 ( 0.278 -1.957 2.352) 3.072 17.187 ( 1.121 1.234 -0.434) 1.723 17.251 ( 1.618 -0.827 0.205) 1.829 22.559 ( 0.565 0.659 0.658) 1.089 22.594 ( 1.838 0.170 -0.557) 1.928 22.765 ( 0.321 1.304 -0.704) 1.516 22.824 ( 0.830 -0.526 -0.163) 0.996 26.398 ( -0.817 0.610 0.072) 1.022 26.442 ( -0.604 -0.968 0.307) 1.182 26.491 ( -0.423 0.130 -1.046) 1.136 26.503 ( 0.010 -0.089 -0.375) 0.386 35.502 ( -5.749 -0.805 -4.457) 7.319 35.619 ( -0.580 -3.367 1.326) 3.665 35.936 ( -1.806 -4.711 5.656) 7.580 36.020 ( -15.860 -11.358 -2.913) 19.724 36.280 ( -6.252 10.877 -0.032) 12.546 36.745 ( -18.370 1.193 1.422) 18.464 37.387 ( 5.531 -4.456 -3.380) 7.866 37.625 ( -8.005 -11.638 7.370) 15.933 ======================= Grid point 109 (57/136) ======================= q-point: (-0.09 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -12.733 23.125 1.345) 26.433 1.519 ( -29.613 20.632 14.742) 38.986 2.050 ( -5.184 6.590 6.879) 10.845 2.190 ( -5.181 -3.952 10.890) 12.691 2.334 ( -8.611 25.770 10.166) 29.010 2.740 ( 2.025 -5.076 -4.917) 7.352 3.101 ( -6.327 -3.104 3.219) 7.747 3.469 ( 2.565 5.063 -4.657) 7.342 3.631 ( -0.780 -2.861 -0.845) 3.083 3.772 ( -0.768 -2.734 2.651) 3.885 4.048 ( 2.960 -5.041 -14.133) 15.295 4.245 ( -2.071 -3.932 -7.481) 8.702 4.300 ( -3.268 1.225 1.134) 3.670 4.472 ( -3.406 -2.437 -1.139) 4.340 4.575 ( 3.467 -6.651 3.825) 8.420 4.791 ( -6.605 -2.535 1.394) 7.211 4.811 ( 9.832 -8.268 -1.652) 12.952 4.939 ( 1.079 -2.060 7.013) 7.388 5.055 ( 2.266 2.539 -0.205) 3.409 5.129 ( -4.657 2.641 1.817) 5.654 5.250 ( 4.174 3.252 -3.416) 6.299 5.376 ( 4.870 0.757 -8.230) 9.593 5.433 ( -0.410 6.851 4.375) 8.139 5.462 ( -4.196 2.315 -0.436) 4.812 5.515 ( -5.416 1.888 1.355) 5.894 5.640 ( 1.895 -5.904 -2.408) 6.652 5.800 ( 1.142 -5.316 6.982) 8.850 5.924 ( -3.449 -8.527 5.633) 10.786 6.040 ( -6.756 -2.744 2.120) 7.594 6.108 ( 2.075 0.975 -11.898) 12.117 6.131 ( 0.844 -7.232 -3.883) 8.252 6.241 ( 0.286 0.546 -0.456) 0.767 6.325 ( -4.516 4.335 -1.441) 6.424 6.436 ( 0.363 0.522 2.039) 2.136 6.563 ( -2.611 -1.878 3.892) 5.048 6.693 ( 2.789 -1.634 -4.537) 5.570 6.759 ( -0.519 -5.107 5.216) 7.318 6.843 ( 0.373 2.197 -3.309) 3.989 6.884 ( 1.492 -2.838 0.487) 3.243 7.133 ( 4.965 0.383 0.347) 4.992 7.231 ( -2.143 1.602 0.152) 2.680 7.329 ( -0.814 -3.314 3.623) 4.977 7.451 ( 0.240 1.030 -0.282) 1.095 7.582 ( 5.071 0.506 3.572) 6.223 7.652 ( -6.429 6.547 -1.854) 9.361 7.767 ( -3.259 -8.091 -1.794) 8.905 7.912 ( 3.000 0.282 1.636) 3.429 8.016 ( -0.715 2.365 2.018) 3.190 8.169 ( 1.406 2.184 1.297) 2.904 8.290 ( -4.198 5.328 -0.410) 6.795 8.339 ( -1.526 2.304 -0.178) 2.770 8.632 ( -0.799 8.833 3.005) 9.365 8.749 ( 0.785 6.849 2.338) 7.279 8.968 ( 3.483 10.261 -0.353) 10.842 9.041 ( 0.423 -6.551 -0.484) 6.582 9.160 ( 2.587 -12.857 3.366) 13.540 9.502 ( 3.624 -6.808 -0.781) 7.752 9.592 ( 3.059 -5.690 0.397) 6.472 10.365 ( 6.408 15.434 -3.820) 17.142 11.010 ( 13.198 -3.414 -11.564) 17.876 16.634 ( -0.798 0.438 -1.347) 1.625 16.676 ( -1.111 -0.706 1.113) 1.724 16.810 ( 0.776 2.302 -1.241) 2.728 16.956 ( 0.890 -1.981 -0.673) 2.274 17.129 ( 2.237 0.300 1.128) 2.524 17.141 ( -0.014 -0.410 1.365) 1.425 17.207 ( 1.142 1.446 0.624) 1.946 17.277 ( 1.164 -0.856 0.656) 1.587 22.567 ( 0.046 0.501 -0.301) 0.586 22.620 ( 1.998 -0.649 -0.981) 2.318 22.773 ( 1.317 1.790 -0.008) 2.222 22.834 ( 0.535 -0.497 0.020) 0.730 26.388 ( -0.543 0.614 0.087) 0.824 26.431 ( -0.422 -0.971 -0.416) 1.138 26.488 ( 0.263 0.322 0.806) 0.907 26.504 ( 0.189 0.089 0.402) 0.453 35.398 ( -2.794 -0.706 -1.338) 3.177 35.554 ( -9.459 -5.651 -1.614) 11.136 35.775 ( -7.387 -0.530 1.235) 7.508 35.967 ( -0.976 -4.863 3.881) 6.298 36.180 ( -6.553 7.210 1.026) 9.796 36.483 ( -12.340 0.930 -2.905) 12.711 37.431 ( -1.793 -5.480 5.361) 7.874 37.589 ( -3.860 -8.637 5.360) 10.873 ======================= Grid point 110 (58/136) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( 0.268 19.103 2.844) 19.315 1.715 ( -7.939 14.166 14.816) 21.982 2.006 ( -4.885 -8.445 9.385) 13.537 2.055 ( -3.112 -11.068 11.106) 15.985 2.673 ( -1.497 5.508 1.298) 5.854 2.785 ( 4.143 -5.402 4.508) 8.165 3.260 ( 2.732 19.957 -0.322) 20.145 3.500 ( 0.576 -2.319 -5.987) 6.446 3.617 ( 3.345 3.993 -5.170) 7.339 3.756 ( 10.176 -11.782 -10.344) 18.691 3.981 ( -3.187 11.077 6.123) 13.052 4.066 ( -0.575 -1.518 -7.349) 7.526 4.182 ( -3.581 -1.809 -0.297) 4.023 4.309 ( -0.476 -6.553 1.840) 6.823 4.566 ( -0.742 -2.154 -1.134) 2.544 4.679 ( 2.084 -8.022 7.842) 11.410 4.925 ( 2.240 2.300 5.576) 6.434 4.955 ( 3.283 -1.038 1.057) 3.602 5.050 ( -3.586 1.514 -2.852) 4.825 5.116 ( -5.018 -3.395 3.564) 7.029 5.342 ( 0.854 0.906 -4.972) 5.126 5.351 ( 3.620 -0.341 -3.520) 5.061 5.444 ( 2.262 5.022 4.730) 7.260 5.481 ( -1.524 1.701 4.854) 5.365 5.557 ( -2.113 -1.072 1.328) 2.716 5.580 ( -0.614 -1.064 3.073) 3.310 5.702 ( -1.101 -5.448 0.321) 5.568 5.793 ( -4.761 -11.288 4.490) 13.048 5.914 ( -1.699 2.867 -2.125) 3.953 5.953 ( -2.203 0.349 -1.832) 2.886 6.091 ( 5.100 2.118 -4.998) 7.448 6.194 ( 4.527 -4.881 -3.163) 7.371 6.397 ( -0.308 4.869 -2.473) 5.470 6.498 ( -1.287 -5.266 -2.013) 5.783 6.635 ( 6.075 4.687 1.434) 7.806 6.650 ( -4.942 9.491 -4.016) 11.429 6.722 ( 6.247 -3.519 -2.083) 7.466 6.824 ( -0.981 -2.805 -3.656) 4.711 6.997 ( 1.954 6.011 -1.977) 6.623 7.130 ( -0.935 -5.756 -3.667) 6.889 7.255 ( -1.294 4.156 6.776) 8.054 7.355 ( -1.724 -4.684 9.228) 10.492 7.400 ( -1.507 -1.888 0.140) 2.420 7.449 ( -2.017 -7.121 -5.226) 9.060 7.594 ( -1.532 4.470 -3.094) 5.648 7.722 ( -1.617 -6.372 -3.728) 7.558 7.965 ( -0.433 3.839 -1.214) 4.049 8.004 ( -1.605 -0.631 -1.418) 2.233 8.357 ( 5.137 12.314 6.618) 14.893 8.383 ( 1.866 4.517 2.146) 5.337 8.433 ( 1.950 2.505 7.618) 8.252 8.702 ( -0.690 -11.911 1.200) 11.991 8.849 ( -1.047 6.147 4.864) 7.909 8.950 ( -2.366 -2.804 2.102) 4.228 9.083 ( -1.366 3.295 0.126) 3.569 9.167 ( -0.507 -1.204 2.571) 2.884 9.404 ( 0.783 0.283 0.455) 0.949 9.510 ( 2.251 -7.841 3.062) 8.714 10.603 ( -1.081 12.485 -12.326) 17.577 10.808 ( -1.289 -8.377 -17.094) 19.080 16.647 ( 1.077 0.864 0.750) 1.572 16.666 ( 0.662 -1.030 1.568) 1.990 16.852 ( 0.506 2.753 -1.991) 3.435 16.904 ( 0.230 -2.581 -1.847) 3.182 17.149 ( -0.960 0.344 0.813) 1.305 17.154 ( -0.818 -0.187 0.719) 1.105 17.262 ( 0.073 1.216 1.934) 2.285 17.282 ( -0.173 -0.877 1.657) 1.883 22.572 ( -0.216 0.961 -0.926) 1.351 22.595 ( -0.115 -1.340 -1.223) 1.818 22.819 ( 0.386 0.977 0.501) 1.164 22.834 ( 0.335 -0.635 0.409) 0.826 26.395 ( 0.023 0.630 -0.092) 0.637 26.409 ( 0.129 -0.784 -0.259) 0.836 26.517 ( 0.473 0.289 1.797) 1.881 26.520 ( 0.368 0.017 1.496) 1.541 35.411 ( 2.015 0.732 3.421) 4.037 35.433 ( 0.767 -1.508 3.534) 3.918 35.802 ( -0.684 3.464 2.049) 4.083 35.886 ( 0.148 -5.138 1.838) 5.459 36.223 ( -2.842 5.999 -1.862) 6.894 36.309 ( -2.774 -2.536 -3.383) 5.057 37.421 ( -0.214 1.041 3.679) 3.829 37.487 ( 0.842 -5.420 2.242) 5.926 ======================= Grid point 111 (59/136) ======================= q-point: ( 0.09 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.837 16.543 9.116) 18.907 1.900 ( 7.909 4.932 11.567) 14.855 2.080 ( 4.467 -1.750 10.172) 11.246 2.227 ( 8.597 -8.691 9.812) 15.676 2.674 ( -1.357 6.976 3.793) 8.056 2.851 ( -0.279 -10.202 3.552) 10.807 3.335 ( 7.664 11.113 -3.023) 13.834 3.437 ( -0.663 -0.182 -4.531) 4.583 3.704 ( 9.473 8.568 -1.406) 12.850 3.823 ( 1.560 -3.205 -6.202) 7.153 3.903 ( 3.939 -4.150 -9.157) 10.798 3.980 ( 3.265 -8.822 -2.500) 9.733 4.215 ( -0.803 3.454 -0.401) 3.568 4.338 ( 3.148 -3.202 0.587) 4.528 4.539 ( -2.209 11.089 8.823) 14.342 4.790 ( -1.311 -2.924 2.834) 4.278 4.906 ( -3.874 0.922 -8.380) 9.278 4.953 ( -3.009 -6.998 1.263) 7.722 5.064 ( 2.297 1.576 6.234) 6.828 5.122 ( 0.261 -2.994 5.695) 6.440 5.276 ( -2.981 5.474 -4.367) 7.610 5.365 ( 2.263 -1.853 -2.748) 4.013 5.508 ( 0.785 1.565 1.873) 2.563 5.526 ( 0.436 2.701 2.453) 3.675 5.571 ( 0.651 -0.949 2.689) 2.925 5.654 ( 6.805 -2.571 1.556) 7.439 5.715 ( -2.384 -4.599 1.522) 5.399 5.722 ( 1.038 -6.224 -0.797) 6.360 5.872 ( 3.904 0.820 -1.264) 4.185 5.959 ( 2.433 -6.571 2.181) 7.338 6.177 ( 2.018 9.491 5.110) 10.966 6.336 ( 2.384 -1.539 0.764) 2.939 6.344 ( 2.693 5.732 -4.839) 7.970 6.442 ( 0.725 -0.886 -2.048) 2.346 6.545 ( -1.859 -2.937 -0.568) 3.522 6.672 ( 1.008 1.337 -4.540) 4.839 6.743 ( 3.144 -3.450 -5.140) 6.943 6.811 ( -0.981 -2.237 1.166) 2.706 6.998 ( 2.190 3.043 -2.949) 4.770 7.069 ( -3.147 -3.401 -0.537) 4.664 7.266 ( -3.740 -2.782 -6.124) 7.696 7.300 ( -0.816 -2.578 -5.319) 5.967 7.371 ( -0.658 3.662 2.826) 4.672 7.443 ( -2.647 -3.624 5.983) 7.479 7.598 ( 1.862 -1.135 1.547) 2.674 7.653 ( -1.823 -4.958 -1.670) 5.540 7.949 ( -1.225 0.646 -1.938) 2.382 7.956 ( -1.426 0.084 -1.878) 2.360 8.403 ( -0.141 12.708 2.899) 13.035 8.518 ( 3.390 12.513 4.686) 13.785 8.563 ( 0.450 -3.265 4.640) 5.692 8.700 ( 0.576 -0.577 2.576) 2.702 8.869 ( -2.498 3.926 3.444) 5.789 8.941 ( -2.397 -7.547 3.942) 8.845 9.042 ( -2.658 0.249 0.123) 2.672 9.125 ( -3.633 -7.301 -1.985) 8.393 9.461 ( 0.239 4.906 8.021) 9.406 9.579 ( -0.749 -6.259 6.788) 9.263 10.378 ( -7.523 9.574 -15.713) 19.879 10.524 ( -7.947 -5.274 -19.853) 22.025 16.682 ( 1.550 1.116 1.059) 2.184 16.706 ( 1.471 -1.279 1.935) 2.747 16.844 ( 1.602 2.216 -2.058) 3.422 16.886 ( 0.484 -2.061 -2.215) 3.064 17.131 ( -2.348 0.255 1.205) 2.652 17.135 ( -2.459 -0.178 1.116) 2.706 17.263 ( -2.375 0.978 1.452) 2.951 17.276 ( -2.486 -0.475 1.119) 2.767 22.559 ( -0.256 0.779 -0.686) 1.069 22.577 ( -0.398 -1.043 -1.111) 1.575 22.823 ( -0.465 0.844 0.559) 1.113 22.836 ( -0.513 -0.474 0.228) 0.735 26.399 ( 0.517 0.552 -0.007) 0.756 26.411 ( 0.469 -0.703 -0.230) 0.876 26.541 ( 0.106 0.307 1.564) 1.598 26.542 ( 0.191 0.197 1.681) 1.704 35.493 ( 2.131 -0.013 2.725) 3.459 35.515 ( 2.108 -2.162 3.148) 4.362 35.820 ( 0.891 4.461 2.910) 5.400 35.928 ( 3.036 -6.695 2.068) 7.637 36.228 ( 7.358 6.174 -3.551) 10.240 36.307 ( 8.228 -1.573 -5.104) 9.809 37.466 ( 0.772 0.445 3.735) 3.839 37.530 ( 0.901 -5.848 3.656) 6.955 ======================= Grid point 112 (60/136) ======================= q-point: ( 0.18 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 4.902 11.245 12.798) 17.728 2.084 ( 3.057 -8.568 10.029) 13.540 2.385 ( 17.080 8.532 7.207) 20.407 2.479 ( 12.376 -0.022 4.734) 13.251 2.736 ( 1.936 3.827 8.236) 9.286 2.888 ( 1.167 -9.372 3.297) 10.003 3.373 ( 0.634 7.645 -4.995) 9.155 3.447 ( 9.831 1.554 -5.448) 11.347 3.686 ( -1.318 -2.108 -4.529) 5.167 3.749 ( -1.405 -7.955 -7.596) 11.088 4.012 ( 8.207 1.462 4.651) 9.546 4.107 ( 6.211 -7.714 -2.382) 10.186 4.178 ( 6.333 9.359 -6.242) 12.910 4.385 ( 7.587 -11.021 -4.744) 14.196 4.613 ( -7.175 5.203 -4.021) 9.732 4.679 ( -8.967 -2.237 -9.691) 13.392 4.750 ( 1.231 13.455 11.607) 17.812 4.959 ( -4.281 -5.921 5.579) 9.193 5.109 ( -2.823 6.357 -0.031) 6.956 5.161 ( -5.954 4.127 5.707) 9.222 5.232 ( 2.377 1.363 3.578) 4.507 5.367 ( 1.687 -6.541 -1.099) 6.844 5.493 ( -5.758 3.451 0.711) 6.751 5.548 ( -4.196 -4.292 -1.839) 6.277 5.613 ( 7.391 1.904 3.169) 8.264 5.685 ( 1.472 -5.025 3.172) 6.122 5.788 ( 9.803 0.427 -1.025) 9.866 5.863 ( 8.464 -4.005 2.266) 9.634 6.005 ( 7.967 0.475 -1.178) 8.068 6.079 ( 5.437 -4.371 -0.130) 6.978 6.117 ( -3.145 9.680 -0.055) 10.178 6.274 ( -1.615 -1.433 -1.255) 2.497 6.404 ( 4.752 3.312 2.537) 6.324 6.512 ( 3.783 2.557 -2.066) 5.012 6.523 ( -2.812 -4.545 1.262) 5.491 6.715 ( 8.187 -10.134 -2.569) 13.278 6.760 ( 3.738 -0.106 -2.989) 4.788 6.798 ( 2.326 -0.901 2.388) 3.453 6.995 ( -2.912 1.297 0.696) 3.263 7.016 ( -2.376 -1.625 0.120) 2.881 7.154 ( 0.877 -0.005 -8.075) 8.123 7.208 ( -1.369 -3.835 -5.748) 7.045 7.423 ( 0.520 -0.216 1.110) 1.245 7.444 ( -0.963 -2.550 2.477) 3.683 7.644 ( 0.941 -0.662 1.519) 1.905 7.657 ( 2.252 -1.987 3.144) 4.348 7.880 ( -2.901 1.707 -2.963) 4.484 7.918 ( -2.343 -1.979 -0.960) 3.213 8.412 ( -2.928 9.108 1.846) 9.744 8.455 ( -8.472 8.577 -4.220) 12.773 8.598 ( 1.263 4.925 1.713) 5.365 8.742 ( -3.416 -6.995 0.932) 7.840 8.886 ( -3.024 2.391 1.307) 4.071 8.896 ( -0.580 2.872 3.053) 4.232 9.001 ( -3.131 0.519 0.319) 3.189 9.123 ( 2.576 -10.362 3.378) 11.199 9.544 ( -3.638 3.383 10.977) 12.049 9.604 ( -7.027 -2.234 7.993) 10.875 10.072 ( -9.566 7.002 -14.356) 18.618 10.188 ( -8.779 -4.847 -16.018) 18.899 16.707 ( 0.741 1.240 0.146) 1.452 16.736 ( 0.217 -1.678 0.798) 1.870 16.862 ( 2.300 1.045 -1.145) 2.773 16.881 ( 1.240 -0.891 -1.284) 1.995 17.105 ( -3.196 0.256 2.173) 3.874 17.108 ( -2.785 -0.096 2.125) 3.504 17.223 ( -3.063 0.795 -0.133) 3.167 17.232 ( -3.113 -0.204 -0.246) 3.129 22.552 ( -0.048 0.434 -0.169) 0.468 22.562 ( -0.220 -0.592 -0.620) 0.885 22.817 ( -0.849 0.552 0.271) 1.048 22.824 ( -1.014 -0.166 -0.038) 1.028 26.410 ( 0.682 0.326 0.126) 0.766 26.417 ( 0.517 -0.441 -0.152) 0.696 26.553 ( -0.296 0.449 0.861) 1.015 26.556 ( -0.163 0.150 0.853) 0.881 35.503 ( -1.382 0.084 -1.025) 1.723 35.532 ( -1.352 -2.950 0.389) 3.269 35.891 ( 1.835 4.348 4.299) 6.384 36.008 ( 2.684 -7.713 2.650) 8.586 36.378 ( 15.733 7.491 -4.458) 17.987 36.463 ( 17.358 -0.815 -5.015) 18.087 37.519 ( 1.449 0.467 2.774) 3.165 37.595 ( 1.141 -6.943 5.403) 8.871 ======================= Grid point 113 (61/136) ======================= q-point: ( 0.27 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 4.879 5.667 10.550) 12.932 2.224 ( 1.637 -6.547 7.473) 10.070 2.667 ( 12.937 10.331 2.836) 16.797 2.749 ( 16.300 4.525 1.054) 16.950 2.874 ( 2.378 1.025 7.089) 7.547 2.997 ( 8.644 -9.764 5.304) 14.077 3.338 ( 2.183 9.112 -3.204) 9.903 3.540 ( 7.049 -6.538 -4.939) 10.808 3.657 ( 3.345 -2.094 -3.121) 5.032 3.702 ( 3.779 -2.711 -4.021) 6.148 4.043 ( -2.833 0.661 -2.555) 3.872 4.083 ( -0.255 -2.884 -4.477) 5.331 4.328 ( -0.601 -0.511 -4.389) 4.460 4.351 ( -4.366 -3.620 -9.065) 10.693 4.413 ( -0.125 6.499 1.001) 6.577 4.556 ( -0.812 -6.528 0.651) 6.610 4.854 ( -4.905 2.614 3.702) 6.678 4.915 ( -3.663 -4.597 1.806) 6.149 5.098 ( -7.846 9.497 6.791) 14.067 5.134 ( 1.993 11.177 5.777) 12.739 5.286 ( -0.268 -3.111 0.545) 3.170 5.353 ( -4.545 5.331 -2.954) 7.603 5.440 ( -5.925 -3.724 0.013) 6.998 5.475 ( 6.319 -11.679 4.083) 13.892 5.742 ( 3.728 6.755 0.296) 7.721 5.795 ( 5.180 3.443 -2.061) 6.552 5.885 ( 0.707 0.205 -4.574) 4.633 5.904 ( -0.934 -5.506 -1.274) 5.728 5.977 ( 9.151 5.149 -1.851) 10.662 6.152 ( 3.682 -10.833 2.218) 11.655 6.258 ( 7.376 4.321 3.422) 9.208 6.337 ( 3.827 -2.629 2.814) 5.429 6.455 ( 2.465 3.994 -1.954) 5.084 6.535 ( 7.252 -1.889 0.389) 7.504 6.587 ( 7.109 2.914 -2.934) 8.224 6.738 ( 0.609 -4.331 -0.778) 4.442 6.888 ( 7.476 -1.720 1.323) 7.785 6.915 ( 5.659 -5.142 0.602) 7.670 6.946 ( -1.477 2.577 0.041) 2.970 6.983 ( 0.420 -2.578 1.767) 3.153 7.117 ( 3.667 2.341 -5.217) 6.793 7.196 ( 4.622 -4.717 -1.790) 6.842 7.418 ( -0.817 -0.910 0.290) 1.257 7.426 ( -3.212 -1.056 -0.451) 3.411 7.709 ( 2.930 1.028 3.224) 4.476 7.741 ( 3.295 -2.255 3.998) 5.650 7.810 ( -2.389 2.719 -1.296) 3.845 7.869 ( -2.298 -3.633 -0.500) 4.328 8.250 ( -10.193 7.949 -4.913) 13.828 8.324 ( -7.647 1.607 -1.886) 8.038 8.602 ( -1.643 1.865 -0.871) 2.634 8.665 ( -5.754 -4.136 0.959) 7.150 8.827 ( -2.512 4.720 0.080) 5.347 8.889 ( -3.256 -1.878 0.482) 3.789 9.047 ( 3.751 7.810 3.710) 9.425 9.204 ( 3.273 -6.626 2.352) 7.756 9.487 ( -11.488 1.594 -0.218) 11.601 9.526 ( -10.783 -3.011 3.608) 11.763 9.814 ( -8.403 8.097 -4.774) 12.608 9.953 ( -7.540 -5.806 -3.645) 10.190 16.718 ( 0.937 0.487 -0.262) 1.088 16.736 ( -0.063 -1.287 -0.407) 1.351 16.879 ( 0.856 0.529 -0.753) 1.257 16.887 ( 0.249 -0.323 -0.507) 0.650 17.070 ( -4.318 0.781 2.317) 4.962 17.083 ( -3.909 -0.518 2.539) 4.690 17.180 ( -0.922 0.915 -1.059) 1.676 17.194 ( -0.333 -0.425 -0.939) 1.083 22.552 ( 0.043 0.213 0.090) 0.235 22.557 ( 0.024 -0.234 -0.143) 0.275 22.803 ( -0.867 0.388 -0.262) 0.985 22.807 ( -0.922 -0.077 -0.012) 0.925 26.422 ( 0.531 0.121 0.140) 0.562 26.425 ( 0.580 -0.223 0.020) 0.622 26.550 ( -0.542 0.496 0.018) 0.735 26.555 ( -0.414 -0.008 -0.053) 0.418 35.463 ( -1.222 0.658 -1.440) 2.000 35.506 ( -1.158 -3.779 -0.797) 4.032 35.950 ( -0.062 3.851 4.294) 5.768 36.061 ( 0.861 -7.688 2.504) 8.132 36.596 ( 16.905 9.932 -5.652) 20.405 36.717 ( 18.630 -1.636 -3.484) 19.023 37.563 ( 1.346 1.864 0.929) 2.480 37.673 ( 0.578 -8.797 6.182) 10.767 ======================= Grid point 114 (62/136) ======================= q-point: ( 0.36 0.43 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 1.201 2.062 -1.766) 2.969 2.261 ( -0.583 -3.395 -1.939) 3.953 2.878 ( 5.959 4.801 5.163) 9.231 2.950 ( 1.397 -2.095 2.785) 3.755 3.002 ( 13.932 12.231 2.578) 18.718 3.231 ( 13.495 -8.966 -0.486) 16.209 3.435 ( 9.043 6.079 6.066) 12.471 3.577 ( 2.609 -6.217 -0.034) 6.742 3.708 ( 5.362 1.982 -2.340) 6.177 3.755 ( 7.475 -0.322 -4.971) 8.982 3.921 ( -6.259 2.454 -5.027) 8.395 4.029 ( -0.514 -2.426 -4.596) 5.223 4.156 ( -8.399 -2.038 -2.500) 8.997 4.193 ( -5.233 -4.951 0.752) 7.243 4.472 ( -9.945 1.902 3.092) 10.586 4.533 ( -1.185 -3.456 3.272) 4.904 4.780 ( -3.815 6.601 3.289) 8.304 4.921 ( -0.228 -6.360 2.299) 6.767 4.976 ( -8.524 8.602 -1.685) 12.227 5.151 ( -5.776 -5.708 3.843) 8.984 5.259 ( -3.048 -1.350 -1.912) 3.843 5.298 ( -2.351 -5.030 0.768) 5.605 5.445 ( 3.576 10.535 2.948) 11.510 5.640 ( 4.624 -5.313 0.141) 7.044 5.700 ( -3.311 5.342 -3.692) 7.290 5.745 ( 6.016 -1.236 -1.167) 6.252 5.923 ( 4.590 0.614 -2.086) 5.079 5.975 ( 5.669 -6.317 -0.507) 8.503 6.132 ( 12.465 2.006 -5.092) 13.614 6.212 ( 1.473 -4.322 2.844) 5.379 6.370 ( 2.862 2.955 0.893) 4.210 6.380 ( 2.258 2.287 1.133) 3.408 6.543 ( -0.481 5.544 3.563) 6.607 6.578 ( 1.656 1.854 -2.457) 3.495 6.676 ( 7.252 -5.074 -2.824) 9.291 6.720 ( -1.666 -5.623 -3.103) 6.635 6.882 ( 0.666 2.049 -2.964) 3.665 6.960 ( 5.072 -2.565 -2.988) 6.421 7.048 ( 10.532 6.468 2.627) 12.635 7.126 ( 1.083 5.114 -1.478) 5.432 7.192 ( 12.201 -6.044 3.980) 14.185 7.241 ( -0.016 -4.552 -1.854) 4.916 7.392 ( 2.626 1.229 1.952) 3.496 7.439 ( 3.254 -2.544 0.540) 4.166 7.756 ( -2.790 2.108 -0.393) 3.520 7.779 ( 1.824 -0.622 2.113) 2.860 7.829 ( -0.221 -0.473 1.867) 1.939 7.847 ( -0.663 -2.030 2.708) 3.449 8.051 ( -8.986 5.417 -1.873) 10.659 8.179 ( -7.530 -4.946 -0.190) 9.011 8.544 ( -5.130 0.059 0.126) 5.132 8.563 ( -6.046 -0.662 -0.531) 6.106 8.813 ( -0.943 2.676 1.238) 3.096 8.847 ( -2.299 -0.590 0.146) 2.378 9.137 ( 3.721 9.491 -0.073) 10.195 9.254 ( -1.209 2.709 -2.882) 4.136 9.313 ( -6.085 -1.999 -4.131) 7.622 9.340 ( -2.731 -8.909 -1.911) 9.512 9.680 ( -10.635 8.605 4.526) 14.410 9.818 ( -10.725 -5.364 3.604) 12.521 16.731 ( 0.822 -0.153 -0.662) 1.066 16.735 ( 0.876 -0.556 -0.394) 1.110 16.871 ( -0.669 0.462 -0.845) 1.173 16.878 ( -0.140 -0.230 -0.799) 0.843 17.021 ( -3.958 1.049 1.532) 4.372 17.040 ( -3.778 -1.008 1.800) 4.304 17.170 ( 0.506 1.513 -0.771) 1.772 17.197 ( 1.168 -1.192 -0.576) 1.766 22.553 ( 0.001 0.310 0.060) 0.316 22.558 ( 0.072 -0.171 0.069) 0.198 22.788 ( -0.501 0.455 -0.348) 0.761 22.795 ( -0.581 -0.267 -0.092) 0.645 26.430 ( 0.349 0.185 0.127) 0.415 26.435 ( 0.422 -0.295 0.141) 0.534 26.540 ( -0.305 0.344 -0.472) 0.659 26.544 ( -0.391 -0.072 -0.602) 0.721 35.445 ( -0.064 0.756 0.088) 0.764 35.491 ( -0.182 -4.099 0.400) 4.122 35.985 ( -1.362 3.661 4.628) 6.056 36.095 ( -0.318 -7.854 3.388) 8.559 36.771 ( 13.265 13.077 -7.552) 20.099 36.956 ( 14.487 -4.358 -2.422) 15.321 37.575 ( 0.327 4.408 -1.370) 4.628 37.731 ( -1.260 -10.586 5.184) 11.855 ======================= Grid point 115 (63/136) ======================= q-point: ( 0.45 0.43 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -0.745 1.925 -10.059) 10.269 2.196 ( -0.251 -4.351 -7.395) 8.583 2.922 ( -3.455 1.924 -1.433) 4.206 2.951 ( -3.420 -1.263 -1.746) 4.042 3.197 ( 5.396 10.020 -0.361) 11.387 3.353 ( 8.608 -4.447 -8.043) 12.592 3.593 ( -2.277 7.760 6.404) 10.315 3.692 ( 2.943 -2.673 5.144) 6.501 3.759 ( 0.784 7.321 1.652) 7.546 3.832 ( 8.780 -0.443 1.389) 8.900 3.903 ( 9.985 -3.517 -0.042) 10.586 3.966 ( -0.508 0.864 -0.503) 1.122 4.039 ( -4.588 -5.077 2.050) 7.143 4.180 ( -4.272 -11.354 0.901) 12.164 4.334 ( -4.305 7.803 4.396) 9.937 4.516 ( -3.022 -7.626 5.658) 9.965 4.771 ( -4.360 8.414 -2.393) 9.774 4.888 ( 0.663 8.777 5.181) 10.214 4.928 ( -1.388 -5.623 2.008) 6.130 5.123 ( -5.062 -1.237 3.238) 6.136 5.161 ( -3.268 -10.729 -3.627) 11.787 5.268 ( -1.478 -8.472 -1.218) 8.686 5.487 ( -1.090 8.312 2.287) 8.690 5.581 ( -1.684 2.348 0.114) 2.892 5.782 ( 7.581 5.401 -0.206) 9.311 5.864 ( 2.730 -1.028 1.230) 3.166 5.981 ( 6.976 -2.775 -3.080) 8.115 6.021 ( 1.463 -7.105 -1.591) 7.427 6.192 ( 1.293 3.421 -3.965) 5.394 6.287 ( 2.431 -4.371 0.331) 5.012 6.348 ( -3.673 2.839 -3.235) 5.658 6.374 ( -3.542 0.435 -2.985) 4.653 6.549 ( 0.386 5.256 4.477) 6.915 6.604 ( 6.773 6.413 -3.479) 9.955 6.652 ( -0.773 -4.279 -2.951) 5.255 6.755 ( 4.910 -8.360 -1.100) 9.757 6.846 ( -2.473 5.956 -5.520) 8.489 6.977 ( 0.880 -6.526 -6.483) 9.241 7.132 ( 1.435 4.938 0.713) 5.192 7.170 ( 1.276 1.389 -3.441) 3.924 7.265 ( 8.489 5.027 3.818) 10.578 7.363 ( 1.750 -3.415 1.429) 4.095 7.514 ( 4.859 -0.697 3.371) 5.954 7.556 ( 6.628 -2.216 5.607) 8.960 7.657 ( -6.396 9.620 -4.035) 12.237 7.779 ( -0.084 -1.065 0.517) 1.186 7.834 ( -1.011 0.576 2.824) 3.054 7.892 ( -1.380 -2.196 6.175) 6.698 7.958 ( -1.717 -0.432 0.548) 1.853 8.067 ( -7.550 -10.300 -0.527) 12.782 8.468 ( -1.838 2.698 1.845) 3.750 8.518 ( -1.813 -2.136 2.296) 3.622 8.798 ( -1.789 0.711 0.230) 1.939 8.823 ( -0.598 -0.869 -0.477) 1.157 9.094 ( -0.428 4.661 -6.466) 7.982 9.146 ( -1.670 -0.018 -5.633) 5.875 9.323 ( 7.683 4.745 0.910) 9.076 9.429 ( 7.307 -4.984 0.837) 8.884 9.542 ( -11.747 7.683 4.183) 14.646 9.673 ( -11.366 -5.404 3.744) 13.130 16.733 ( 0.607 0.480 -0.891) 1.180 16.747 ( 0.628 -0.936 -0.235) 1.151 16.850 ( -0.270 1.084 -1.386) 1.780 16.868 ( 0.173 -0.718 -1.144) 1.362 16.986 ( -2.093 1.127 1.381) 2.749 17.010 ( -2.114 -1.393 1.566) 2.977 17.171 ( 0.555 1.802 -0.763) 2.034 17.206 ( 0.632 -1.634 -0.774) 1.916 22.553 ( -0.037 0.390 -0.002) 0.392 22.559 ( -0.030 -0.152 -0.037) 0.159 22.781 ( 0.015 0.377 -0.185) 0.421 22.787 ( -0.178 -0.286 -0.139) 0.365 26.435 ( 0.086 0.166 0.278) 0.335 26.441 ( 0.084 -0.297 0.184) 0.360 26.531 ( -0.036 0.236 -0.892) 0.924 26.535 ( 0.132 -0.142 -0.654) 0.682 35.462 ( 0.449 0.678 2.355) 2.491 35.510 ( 0.506 -4.367 2.510) 5.063 36.004 ( -2.535 3.961 4.917) 6.804 36.123 ( -1.494 -8.403 4.512) 9.654 36.856 ( 7.995 15.974 -8.531) 19.796 37.117 ( 8.502 -9.010 -2.221) 12.585 37.544 ( -1.175 7.272 -3.242) 8.048 37.731 ( -4.053 -10.799 2.654) 11.836 ======================= Grid point 116 (64/136) ======================= q-point: (-0.45 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -1.407 4.505 -7.761) 9.084 2.128 ( 0.344 -6.944 -4.785) 8.440 2.748 ( -8.723 2.496 -10.919) 14.197 2.795 ( -7.343 -2.174 -10.051) 12.636 3.143 ( -7.434 11.491 -2.913) 13.993 3.374 ( 0.866 -9.167 -3.847) 9.979 3.605 ( -3.905 7.594 6.263) 10.590 3.626 ( -7.351 5.997 -4.798) 10.631 3.803 ( -4.230 0.633 2.539) 4.974 3.867 ( -5.577 -5.448 2.470) 8.179 4.008 ( 11.421 -1.332 1.021) 11.543 4.028 ( 2.108 -2.888 2.770) 4.523 4.215 ( 8.411 -1.041 7.388) 11.243 4.245 ( 12.287 -2.675 9.950) 16.035 4.438 ( 3.407 4.591 5.954) 8.254 4.574 ( 1.062 -3.670 7.138) 8.096 4.711 ( 3.075 6.409 -0.897) 7.165 4.925 ( -0.937 -10.009 0.632) 10.073 5.002 ( 3.690 3.105 5.946) 7.656 5.039 ( -4.799 5.075 -1.061) 7.065 5.091 ( -0.793 -8.473 -3.507) 9.204 5.230 ( -1.191 -10.794 -1.313) 10.939 5.496 ( -3.651 9.725 4.182) 11.198 5.593 ( 1.525 2.469 0.562) 2.956 5.824 ( -4.574 2.355 -1.587) 5.384 5.859 ( -3.968 -0.412 0.652) 4.043 5.977 ( 0.381 0.495 -2.434) 2.513 6.032 ( -1.064 -3.564 0.472) 3.750 6.169 ( 1.067 1.081 -2.383) 2.826 6.217 ( -0.252 -0.909 -6.224) 6.295 6.261 ( -4.675 2.031 -2.094) 5.511 6.288 ( -3.522 -3.733 -3.997) 6.506 6.589 ( -2.425 2.818 3.054) 4.811 6.617 ( -4.902 1.847 -1.108) 5.355 6.687 ( -4.163 5.620 -7.856) 10.518 6.744 ( 11.502 1.521 -3.964) 12.260 6.774 ( -0.276 -1.892 -3.588) 4.066 6.878 ( 0.941 -7.631 -8.234) 11.266 7.169 ( 0.465 1.935 0.587) 2.075 7.219 ( 2.909 -1.444 1.657) 3.646 7.317 ( -5.764 0.027 2.374) 6.234 7.361 ( 0.082 -2.796 3.595) 4.555 7.477 ( -8.626 7.875 0.245) 11.683 7.604 ( -3.135 0.854 -2.199) 3.924 7.660 ( 0.393 -1.611 6.057) 6.280 7.769 ( -1.422 -8.773 -0.344) 8.894 7.851 ( -4.366 2.161 1.097) 4.993 7.882 ( -4.590 -0.459 1.841) 4.966 8.009 ( 11.246 4.692 5.510) 13.374 8.090 ( 8.205 -2.158 2.352) 8.804 8.522 ( 3.102 0.233 3.259) 4.505 8.540 ( 0.427 -1.774 2.939) 3.460 8.773 ( -0.632 1.079 -0.987) 1.593 8.814 ( 0.220 -2.906 -0.501) 2.957 9.066 ( 5.395 4.770 -6.719) 9.850 9.102 ( 2.303 1.116 -6.007) 6.529 9.357 ( -7.516 3.200 0.948) 8.223 9.427 ( -7.679 -2.613 0.615) 8.135 9.565 ( 9.835 5.498 5.050) 12.347 9.681 ( 10.496 -5.247 3.121) 12.143 16.729 ( -0.032 0.808 -0.745) 1.100 16.747 ( -0.247 -1.029 -0.125) 1.066 16.839 ( 1.038 1.436 -1.891) 2.592 16.862 ( 0.993 -0.991 -1.546) 2.088 16.983 ( -0.243 1.089 1.396) 1.787 17.006 ( -0.430 -1.327 1.415) 1.987 17.173 ( 0.599 1.366 -0.622) 1.616 17.201 ( 0.091 -1.453 -1.029) 1.783 22.553 ( -0.029 0.357 -0.032) 0.360 22.557 ( 0.008 -0.112 -0.074) 0.135 22.784 ( 0.436 0.142 -0.091) 0.467 22.786 ( 0.150 -0.076 -0.214) 0.272 26.437 ( -0.373 0.110 0.354) 0.526 26.441 ( -0.337 -0.301 0.330) 0.560 26.522 ( 0.361 0.508 -1.126) 1.287 26.532 ( 0.458 -0.457 -0.897) 1.106 35.502 ( 0.154 0.656 3.949) 4.006 35.553 ( 0.395 -4.747 3.897) 6.154 36.004 ( -3.880 4.649 4.610) 7.611 36.138 ( -3.093 -9.215 4.840) 10.859 36.853 ( 2.506 17.779 -7.631) 19.509 37.175 ( 1.710 -14.130 -2.536) 14.457 37.475 ( -2.547 9.227 -3.725) 10.271 37.662 ( -5.903 -9.171 0.002) 10.906 ======================= Grid point 117 (65/136) ======================= q-point: (-0.36 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( -3.170 8.791 0.977) 9.396 2.106 ( -1.556 -8.111 1.638) 8.420 2.488 ( -5.608 2.875 -13.312) 14.728 2.534 ( -7.102 -1.487 -15.399) 17.023 2.957 ( -15.138 11.332 1.878) 19.003 3.205 ( -19.363 -10.773 1.743) 22.227 3.498 ( 4.898 9.276 -11.340) 15.448 3.647 ( 1.161 -0.375 3.951) 4.135 3.732 ( -4.967 -5.070 -0.438) 7.111 3.810 ( -2.842 -4.662 3.706) 6.599 4.139 ( 3.652 2.718 2.504) 5.195 4.228 ( 10.897 -4.016 1.224) 11.678 4.337 ( 0.729 6.012 2.204) 6.444 4.444 ( 1.536 -3.080 6.686) 7.520 4.562 ( 2.039 3.264 5.500) 6.713 4.668 ( -0.134 -5.027 6.790) 8.450 4.818 ( 0.728 6.049 1.644) 6.310 4.913 ( 0.718 -2.081 1.277) 2.545 4.965 ( 5.010 -1.242 -5.089) 7.248 5.025 ( -3.430 -3.658 -0.366) 5.028 5.146 ( 4.982 4.370 3.517) 7.502 5.293 ( 7.746 -8.356 4.884) 12.397 5.387 ( -9.247 9.449 0.190) 13.222 5.574 ( -9.410 -7.334 -0.289) 11.934 5.708 ( -1.164 5.399 -0.227) 5.527 5.797 ( -0.070 -3.928 -3.549) 5.294 5.976 ( -4.857 6.067 -0.600) 7.795 6.017 ( -0.672 -0.814 1.618) 1.933 6.127 ( -3.692 1.592 -1.189) 4.193 6.149 ( -1.445 0.681 -4.331) 4.616 6.183 ( -5.610 -2.894 -0.227) 6.316 6.216 ( 2.910 -5.843 -2.791) 7.099 6.413 ( -7.767 5.928 -6.073) 11.504 6.493 ( -4.806 4.503 -8.453) 10.716 6.631 ( -5.431 -4.216 -1.227) 6.983 6.655 ( -2.540 -5.078 -4.149) 7.032 6.862 ( 4.677 3.845 -4.473) 7.528 6.886 ( 4.256 1.510 -0.156) 4.519 7.150 ( -6.359 -2.836 2.524) 7.407 7.162 ( -5.397 -6.651 0.614) 8.587 7.324 ( -3.227 2.951 3.915) 5.869 7.378 ( -2.437 3.808 2.075) 4.974 7.422 ( -7.834 -5.465 2.008) 9.761 7.467 ( 1.617 -3.472 2.552) 4.602 7.680 ( -0.886 4.927 -1.184) 5.144 7.750 ( -2.729 -1.599 -1.999) 3.742 7.828 ( 1.508 2.631 3.126) 4.355 7.897 ( 1.148 -4.779 4.872) 6.920 8.224 ( 7.639 6.903 1.248) 10.371 8.285 ( 11.016 2.065 4.999) 12.272 8.575 ( 1.373 -1.742 0.070) 2.219 8.581 ( 1.169 0.415 0.340) 1.287 8.766 ( 1.224 2.136 -1.127) 2.708 8.832 ( 2.097 -5.335 0.605) 5.764 9.039 ( -3.708 5.879 -3.539) 7.800 9.093 ( 6.081 1.737 -8.234) 10.382 9.271 ( -3.252 0.096 -0.518) 3.294 9.329 ( -1.297 -4.284 -0.276) 4.485 9.843 ( 16.054 6.772 5.984) 18.423 9.960 ( 17.279 -5.113 5.734) 18.909 16.718 ( -0.490 1.069 -0.357) 1.229 16.739 ( -0.595 -1.051 -0.180) 1.221 16.841 ( 1.836 1.640 -2.195) 3.299 16.867 ( 1.646 -1.066 -1.624) 2.546 17.001 ( 0.723 0.986 0.948) 1.547 17.023 ( 0.623 -1.281 1.295) 1.925 17.181 ( 0.987 0.482 -0.258) 1.128 17.194 ( 0.423 -0.778 -0.780) 1.180 22.553 ( 0.078 0.454 0.072) 0.467 22.560 ( 0.328 -0.231 0.093) 0.412 22.786 ( 0.346 0.324 -0.432) 0.642 22.792 ( 0.697 -0.222 -0.166) 0.750 26.431 ( -0.755 0.226 0.292) 0.841 26.437 ( -0.630 -0.431 0.440) 0.881 26.517 ( 0.506 0.509 -1.300) 1.484 26.527 ( 0.268 -0.475 -1.314) 1.423 35.544 ( -0.389 0.573 4.000) 4.060 35.593 ( -0.626 -4.598 3.449) 5.782 35.972 ( -5.551 4.996 3.467) 8.233 36.115 ( -5.653 -9.810 3.576) 11.873 36.783 ( -2.727 17.708 -4.957) 18.590 37.114 ( -6.624 -15.497 -1.581) 16.928 37.395 ( -1.968 8.662 -3.773) 9.651 37.564 ( -5.129 -8.001 -0.859) 9.542 ======================= Grid point 118 (66/136) ======================= q-point: (-0.27 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -8.345 11.954 8.892) 17.077 2.079 ( -5.046 -4.523 2.803) 7.333 2.291 ( -3.776 3.058 -11.922) 12.874 2.354 ( 2.354 -2.441 -6.031) 6.919 2.668 ( -24.335 11.970 3.281) 27.317 2.934 ( -15.073 -12.582 2.067) 19.742 3.482 ( 4.692 4.962 -7.165) 9.898 3.620 ( 0.201 -9.010 -5.415) 10.514 3.763 ( 0.695 5.081 1.978) 5.496 3.824 ( 0.214 -2.175 3.947) 4.512 4.135 ( -4.132 6.597 -4.523) 9.003 4.250 ( -13.073 11.999 1.485) 17.807 4.321 ( 4.239 -9.101 -9.968) 14.148 4.446 ( -6.845 -7.850 7.864) 13.051 4.609 ( -1.725 4.599 8.221) 9.577 4.694 ( -2.927 -2.178 3.473) 5.037 4.794 ( -2.627 -4.608 -1.638) 5.551 4.812 ( -6.040 -2.896 -1.363) 6.836 5.073 ( 7.137 3.047 -0.986) 7.823 5.125 ( 6.154 -1.053 -2.219) 6.626 5.184 ( 4.115 11.764 1.772) 12.588 5.366 ( 0.461 -0.747 4.011) 4.106 5.465 ( 2.202 -2.118 0.720) 3.139 5.478 ( 5.526 -6.143 -0.284) 8.268 5.659 ( -6.482 2.529 -1.787) 7.184 5.740 ( -2.826 -4.187 -3.845) 6.348 5.884 ( -3.256 3.074 1.533) 4.733 5.961 ( -3.358 -4.772 0.678) 5.874 6.045 ( -8.325 1.068 -0.602) 8.415 6.096 ( -8.026 -3.657 6.050) 10.695 6.163 ( 3.800 4.137 -0.235) 5.622 6.238 ( 3.273 -0.036 -3.363) 4.693 6.340 ( -1.268 3.509 0.713) 3.798 6.372 ( 3.777 3.636 -5.636) 7.698 6.481 ( -5.035 -4.474 -1.022) 6.813 6.611 ( -1.483 -8.955 -3.551) 9.747 6.791 ( -6.877 5.497 -2.951) 9.286 6.916 ( -2.932 -6.362 -4.345) 8.243 7.029 ( -3.597 7.428 5.374) 9.849 7.192 ( -3.679 -7.910 2.188) 8.994 7.242 ( -2.273 1.399 -2.729) 3.817 7.287 ( 0.603 -2.609 -1.361) 3.004 7.462 ( -0.826 3.427 5.403) 6.451 7.532 ( -1.130 -2.704 3.178) 4.322 7.656 ( 0.428 2.032 -1.903) 2.817 7.692 ( -1.164 -1.688 -0.552) 2.123 7.909 ( 3.161 3.119 3.918) 5.922 7.975 ( 1.223 -3.612 4.786) 6.120 8.300 ( 3.256 11.509 -2.817) 12.288 8.478 ( 6.039 3.904 3.716) 8.095 8.543 ( -2.267 -3.128 -1.956) 4.330 8.608 ( 3.234 -3.322 -3.643) 5.897 8.771 ( 0.104 3.987 -1.144) 4.150 8.842 ( -1.865 -1.310 -0.530) 2.340 8.984 ( 0.955 2.108 0.506) 2.368 9.075 ( 1.426 -3.397 -3.979) 5.423 9.263 ( 3.037 2.414 -0.983) 4.002 9.362 ( 5.094 -5.436 -1.895) 7.687 10.178 ( 17.396 9.188 5.582) 20.450 10.326 ( 19.434 -5.971 6.272) 21.276 16.706 ( -0.775 0.855 -0.233) 1.177 16.719 ( -1.320 -0.563 -0.846) 1.666 16.849 ( 1.823 1.944 -1.970) 3.314 16.881 ( 1.854 -1.373 -1.061) 2.539 17.028 ( 1.788 0.768 0.802) 2.104 17.051 ( 1.157 -1.551 1.437) 2.410 17.193 ( 1.191 0.693 -0.476) 1.458 17.207 ( 1.539 -0.742 -0.016) 1.709 22.559 ( 0.422 0.670 0.353) 0.867 22.570 ( 0.743 -0.458 0.226) 0.902 22.787 ( 0.489 0.819 -0.644) 1.151 22.801 ( 0.828 -0.627 -0.354) 1.097 26.421 ( -0.799 0.494 0.254) 0.973 26.432 ( -0.634 -0.621 0.439) 0.990 26.509 ( 0.191 0.132 -1.292) 1.313 26.512 ( -0.178 -0.170 -1.566) 1.585 35.569 ( -0.739 -0.127 2.097) 2.227 35.592 ( -2.830 -2.271 0.943) 3.749 35.907 ( -6.297 2.854 3.077) 7.567 36.023 ( -9.195 -9.093 1.328) 12.999 36.665 ( -7.246 15.520 -2.227) 17.272 36.937 ( -13.972 -11.325 0.198) 17.986 37.351 ( 1.451 5.300 -3.442) 6.484 37.489 ( -4.139 -8.255 0.822) 9.271 ======================= Grid point 119 (67/136) ======================= q-point: (-0.18 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -10.572 13.875 4.036) 17.904 2.023 ( -6.371 -7.591 2.643) 10.257 2.172 ( -10.220 6.570 5.219) 13.223 2.241 ( -23.565 1.969 5.332) 24.240 2.457 ( 5.334 10.657 1.146) 11.973 2.765 ( -8.184 -15.351 1.079) 17.429 3.483 ( 2.717 6.035 -8.174) 10.518 3.578 ( -1.418 -0.880 -5.438) 5.688 3.663 ( -3.871 14.456 -8.345) 17.134 3.817 ( -6.784 11.040 7.083) 14.768 3.977 ( -2.045 -7.079 -7.215) 10.312 4.170 ( -1.805 -12.743 -0.874) 12.900 4.279 ( -2.006 -1.415 3.686) 4.428 4.386 ( -8.131 -8.931 5.620) 13.321 4.600 ( -4.151 0.378 -1.376) 4.389 4.632 ( -0.641 -2.728 -6.957) 7.501 4.754 ( 0.647 2.767 6.130) 6.756 4.833 ( 1.199 -4.612 2.477) 5.371 5.117 ( -0.180 5.554 0.637) 5.593 5.154 ( 3.276 1.346 0.272) 3.552 5.319 ( 5.848 3.477 -3.895) 7.839 5.398 ( -0.545 0.213 1.830) 1.922 5.476 ( -0.819 -4.680 -4.935) 6.851 5.501 ( 1.903 -4.862 -1.554) 5.447 5.554 ( -3.483 4.576 1.166) 5.867 5.636 ( -4.417 -0.215 -1.525) 4.678 5.813 ( -6.107 0.579 -3.647) 7.137 5.855 ( -10.813 -4.661 0.119) 11.775 6.030 ( -0.628 1.897 8.638) 8.866 6.098 ( -3.965 -4.989 7.939) 10.180 6.215 ( 4.861 6.323 0.789) 8.014 6.246 ( 1.609 7.011 -9.380) 11.820 6.304 ( 5.167 -3.498 -0.536) 6.263 6.434 ( -5.754 -7.648 2.460) 9.881 6.512 ( 2.727 0.904 2.258) 3.654 6.562 ( 5.123 -6.397 0.009) 8.195 6.678 ( -2.547 5.361 1.127) 6.041 6.807 ( -2.622 -6.823 -2.054) 7.593 7.038 ( -1.670 6.683 -1.484) 7.047 7.098 ( -2.141 0.363 -0.923) 2.359 7.263 ( 1.736 0.061 -0.606) 1.840 7.312 ( 2.906 -2.067 -2.417) 4.308 7.461 ( -2.078 0.688 1.136) 2.467 7.505 ( -3.108 -2.784 -0.149) 4.176 7.667 ( 0.852 -0.651 1.677) 1.991 7.697 ( 0.756 -2.534 0.973) 2.817 7.995 ( 1.549 2.837 4.030) 5.166 8.017 ( -0.780 0.496 2.523) 2.687 8.280 ( 0.456 12.506 -5.561) 13.695 8.440 ( -4.301 1.916 -2.993) 5.579 8.520 ( -6.750 1.774 -2.484) 7.407 8.625 ( 5.188 -9.505 0.655) 10.849 8.809 ( 0.521 -0.488 1.555) 1.711 8.815 ( 1.601 3.706 3.146) 5.118 9.027 ( 2.517 1.147 0.951) 2.925 9.091 ( 3.332 -0.272 -1.537) 3.679 9.321 ( 4.402 0.341 -0.221) 4.421 9.421 ( 4.246 -6.809 -1.746) 8.212 10.483 ( 14.616 11.979 1.705) 18.974 10.676 ( 17.499 -7.863 1.922) 19.281 16.681 ( -1.880 0.223 -1.267) 2.278 16.685 ( -1.477 -0.163 -0.367) 1.531 16.856 ( 1.267 2.500 -1.302) 3.091 16.901 ( 1.538 -2.100 -0.582) 2.667 17.077 ( 2.827 0.517 1.278) 3.146 17.092 ( 1.851 -1.065 1.740) 2.754 17.211 ( 1.462 1.203 -0.233) 1.907 17.233 ( 1.593 -1.019 -0.027) 1.891 22.572 ( 0.622 0.764 0.363) 1.050 22.587 ( 1.067 -0.700 0.065) 1.278 22.790 ( 0.773 1.241 -0.547) 1.562 22.811 ( 0.845 -0.890 -0.360) 1.279 26.411 ( -0.716 0.709 0.136) 1.017 26.425 ( -0.651 -0.781 0.186) 1.034 26.494 ( -0.132 0.234 -0.902) 0.942 26.499 ( 0.045 -0.253 -0.657) 0.705 35.509 ( -5.417 1.633 -2.502) 6.187 35.558 ( -3.225 -3.091 -0.241) 4.473 35.862 ( -3.587 -2.204 3.984) 5.796 35.872 ( -9.801 -3.787 1.643) 10.635 36.508 ( -10.160 11.716 -0.758) 15.526 36.694 ( -15.562 -6.745 -0.373) 16.965 37.363 ( 2.424 1.941 -0.881) 3.228 37.450 ( -2.789 -6.852 2.484) 7.803 ======================= Grid point 120 (68/136) ======================= q-point: (-0.09 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -6.990 16.306 0.791) 17.758 1.832 ( -21.689 8.634 8.766) 24.936 2.010 ( -8.535 -3.214 8.266) 12.309 2.095 ( -14.219 -6.145 11.963) 19.572 2.622 ( 9.618 2.680 3.012) 10.429 2.695 ( -2.407 -3.667 0.886) 4.475 3.307 ( -5.176 23.530 -6.768) 25.025 3.541 ( 3.025 0.546 -6.740) 7.408 3.634 ( 1.770 1.452 -3.138) 3.884 3.794 ( -0.717 -0.142 -6.487) 6.528 3.884 ( 1.459 -3.047 1.544) 3.714 4.145 ( -5.389 -10.209 5.311) 12.707 4.289 ( -1.552 -2.633 -2.375) 3.871 4.316 ( -3.732 -7.010 -0.374) 7.950 4.528 ( 1.263 2.004 -1.699) 2.915 4.631 ( 2.982 -7.952 -0.262) 8.497 4.827 ( 1.325 3.263 4.719) 5.889 4.891 ( 0.787 -2.828 5.211) 5.981 5.117 ( -1.123 3.382 -0.489) 3.597 5.168 ( -4.061 -0.414 2.005) 4.547 5.315 ( 3.017 4.002 -3.442) 6.080 5.390 ( -0.097 0.302 -2.083) 2.107 5.410 ( -0.998 -2.657 -2.740) 3.945 5.481 ( -2.393 -3.528 1.693) 4.587 5.563 ( -2.310 2.494 4.500) 5.639 5.591 ( -3.068 2.467 2.131) 4.476 5.735 ( -4.933 -7.053 2.027) 8.842 5.744 ( 0.425 -3.748 2.339) 4.438 6.001 ( -10.219 0.419 3.853) 10.929 6.039 ( -3.943 -1.476 -2.440) 4.866 6.156 ( 3.650 3.765 -15.410) 16.277 6.244 ( -0.009 -3.383 -8.456) 9.108 6.392 ( 3.362 3.453 2.533) 5.444 6.470 ( 4.661 -2.739 7.073) 8.903 6.524 ( 1.937 3.108 -0.825) 3.754 6.622 ( -0.408 -6.344 2.022) 6.671 6.748 ( 3.411 4.940 -0.012) 6.003 6.823 ( 2.905 -2.545 0.101) 3.863 6.983 ( 0.395 8.562 -2.205) 8.850 7.117 ( 3.807 -3.404 -0.169) 5.110 7.257 ( -2.842 1.443 1.562) 3.550 7.299 ( -3.153 -0.887 3.851) 5.056 7.435 ( -1.828 -1.130 -1.459) 2.597 7.481 ( 1.795 -7.452 -1.856) 7.887 7.670 ( -1.895 1.356 -1.452) 2.746 7.734 ( 2.725 -2.742 -0.834) 3.954 7.995 ( -1.951 5.183 -0.014) 5.538 8.039 ( -1.493 -0.285 1.349) 2.032 8.251 ( 1.574 8.907 0.093) 9.045 8.345 ( -1.967 -0.026 -0.861) 2.147 8.425 ( -3.798 7.197 1.264) 8.236 8.688 ( 1.233 -16.162 1.066) 16.244 8.814 ( -0.940 7.918 4.125) 8.978 8.922 ( 1.899 -2.180 5.048) 5.817 9.073 ( 1.820 3.513 0.649) 4.010 9.126 ( 2.201 3.587 0.173) 4.212 9.384 ( 3.176 -2.804 -0.432) 4.259 9.459 ( 2.402 -7.485 -0.509) 7.877 10.647 ( 7.591 13.583 -5.388) 16.467 10.875 ( 9.782 -9.870 -7.689) 15.882 16.645 ( -0.962 0.697 -0.536) 1.303 16.660 ( -1.158 -0.869 0.356) 1.491 16.860 ( 0.759 2.744 -1.274) 3.120 16.912 ( 0.746 -2.565 -1.014) 2.858 17.134 ( 1.819 0.232 1.365) 2.286 17.137 ( 1.247 -0.131 1.447) 1.914 17.234 ( 1.211 1.352 0.661) 1.932 17.258 ( 1.229 -1.134 0.685) 1.807 22.580 ( 0.247 0.877 -0.371) 0.984 22.600 ( 0.717 -1.166 -0.584) 1.488 22.803 ( 1.054 1.232 0.041) 1.622 22.822 ( 0.735 -0.797 0.060) 1.085 26.401 ( -0.555 0.682 -0.078) 0.883 26.414 ( -0.506 -0.775 -0.248) 0.959 26.495 ( 0.373 0.388 0.754) 0.927 26.502 ( 0.370 -0.254 0.600) 0.749 35.408 ( -3.722 1.767 -0.373) 4.137 35.463 ( -6.116 -3.870 -0.252) 7.242 35.796 ( -2.753 2.560 2.724) 4.642 35.867 ( -1.256 -4.696 3.510) 5.996 36.339 ( -9.254 7.976 -0.648) 12.234 36.457 ( -11.622 -3.857 -1.929) 12.396 37.393 ( 0.184 0.901 2.198) 2.383 37.454 ( 0.074 -5.348 2.171) 5.772 ======================= Grid point 154 (69/136) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.901 0.000 27.482) 27.497 1.496 ( 4.424 0.000 35.413) 35.688 2.106 ( -3.920 0.000 10.578) 11.281 2.426 ( -9.609 0.000 25.962) 27.683 2.664 ( -4.047 0.000 10.825) 11.557 2.807 ( -3.268 0.000 6.480) 7.257 2.923 ( 8.772 0.000 -25.108) 26.596 3.271 ( -1.019 0.000 0.863) 1.335 3.687 ( -9.101 0.000 5.446) 10.606 3.928 ( 1.853 0.000 -0.877) 2.050 3.951 ( 9.418 0.000 -9.745) 13.553 4.254 ( 2.225 0.000 8.847) 9.122 4.414 ( 3.189 0.000 2.017) 3.773 4.440 ( -1.234 0.000 -13.314) 13.371 4.514 ( -6.617 0.000 -1.958) 6.900 4.595 ( -4.937 0.000 -5.718) 7.555 4.804 ( -2.420 0.000 -0.101) 2.422 4.893 ( 12.879 0.000 -17.433) 21.675 5.003 ( 2.386 0.000 0.671) 2.478 5.117 ( -0.054 0.000 2.012) 2.012 5.130 ( 6.449 0.000 -9.521) 11.499 5.238 ( -5.876 0.000 -2.008) 6.210 5.317 ( 1.363 0.000 -1.153) 1.786 5.407 ( -6.356 0.000 -5.541) 8.432 5.553 ( -0.273 0.000 1.898) 1.918 5.680 ( -6.148 0.000 2.563) 6.661 5.685 ( 5.913 0.000 -7.784) 9.775 5.855 ( 3.779 0.000 -6.463) 7.486 5.966 ( -5.023 0.000 0.942) 5.111 6.107 ( 11.362 0.000 -6.315) 12.999 6.161 ( -6.589 0.000 5.104) 8.335 6.407 ( -5.876 0.000 9.998) 11.597 6.447 ( -2.068 0.000 -5.201) 5.597 6.580 ( -2.897 0.000 4.060) 4.987 6.592 ( 8.155 0.000 3.946) 9.059 6.811 ( 10.411 0.000 -7.786) 13.001 6.931 ( -0.430 0.000 7.021) 7.034 7.051 ( -0.905 0.000 -0.181) 0.923 7.137 ( -0.135 0.000 -1.807) 1.812 7.140 ( 2.603 0.000 0.425) 2.638 7.386 ( -2.034 0.000 4.563) 4.996 7.410 ( 4.073 0.000 0.189) 4.078 7.532 ( -5.747 0.000 3.702) 6.836 7.697 ( -0.689 0.000 1.524) 1.673 7.703 ( -6.607 0.000 3.770) 7.607 7.845 ( 0.672 0.000 -4.730) 4.778 7.894 ( 0.028 0.000 10.509) 10.509 8.064 ( 6.091 0.000 4.801) 7.756 8.119 ( -7.207 0.000 2.163) 7.524 8.179 ( 1.380 0.000 3.699) 3.948 8.327 ( 4.137 0.000 -6.660) 7.840 8.508 ( -9.945 0.000 -6.439) 11.848 8.668 ( 5.064 0.000 -2.256) 5.543 8.669 ( -2.633 0.000 -0.190) 2.640 9.387 ( -5.548 0.000 3.110) 6.360 9.541 ( 3.254 0.000 -3.747) 4.963 9.720 ( 4.492 0.000 0.054) 4.492 9.764 ( -1.699 0.000 2.283) 2.846 9.894 ( 4.642 0.000 -0.871) 4.723 10.110 ( -3.496 0.000 -7.389) 8.174 16.609 ( 2.254 0.000 0.543) 2.319 16.691 ( -2.041 0.000 -2.953) 3.589 16.786 ( 1.036 0.000 4.024) 4.155 16.945 ( -0.884 0.000 -3.132) 3.254 17.154 ( -0.816 0.000 0.864) 1.189 17.172 ( -0.117 0.000 -0.124) 0.171 17.225 ( 1.285 0.000 2.905) 3.176 17.304 ( -0.998 0.000 -0.508) 1.120 22.544 ( 0.258 0.000 1.102) 1.132 22.605 ( 0.325 0.000 -1.709) 1.740 22.780 ( 1.063 0.000 1.414) 1.769 22.828 ( -0.416 0.000 -0.860) 0.955 26.388 ( -0.062 0.000 0.903) 0.905 26.435 ( 0.170 0.000 -1.185) 1.197 26.498 ( 0.012 0.000 0.870) 0.870 26.512 ( 0.181 0.000 0.351) 0.395 35.510 ( 5.257 0.000 6.382) 8.268 35.666 ( 4.555 0.000 7.942) 9.155 35.781 ( -3.597 0.000 -5.207) 6.328 35.855 ( -2.395 0.000 5.879) 6.348 36.029 ( -5.291 0.000 -8.381) 9.911 36.169 ( 2.487 0.000 -7.834) 8.220 37.877 ( 4.900 0.000 5.760) 7.563 38.098 ( -12.991 0.000 -4.117) 13.628 ======================= Grid point 155 (70/136) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 8.235 0.000 22.837) 24.276 1.893 ( 2.252 0.000 21.746) 21.862 2.085 ( 7.088 0.000 -6.816) 9.833 2.495 ( -2.459 0.000 -20.835) 20.979 2.800 ( -3.505 0.000 11.714) 12.227 2.879 ( 14.933 0.000 29.374) 32.952 2.933 ( 4.887 0.000 2.271) 5.389 3.357 ( 8.506 0.000 -0.423) 8.517 3.600 ( -5.874 0.000 1.164) 5.988 3.963 ( 3.141 0.000 -9.314) 9.830 3.983 ( 3.485 0.000 2.525) 4.304 4.305 ( 7.365 0.000 -17.256) 18.762 4.320 ( -11.730 0.000 -2.074) 11.912 4.390 ( 4.123 0.000 3.853) 5.643 4.510 ( -7.285 0.000 8.760) 11.393 4.555 ( 9.547 0.000 2.628) 9.902 4.757 ( -6.269 0.000 4.395) 7.656 4.904 ( 11.765 0.000 -16.889) 20.583 4.989 ( -4.305 0.000 -19.324) 19.798 4.999 ( -2.346 0.000 -4.567) 5.134 5.171 ( -0.789 0.000 -0.005) 0.789 5.198 ( 6.014 0.000 4.216) 7.345 5.303 ( -1.161 0.000 -0.075) 1.163 5.353 ( 3.966 0.000 0.808) 4.048 5.601 ( 3.346 0.000 0.650) 3.409 5.686 ( 0.846 0.000 6.452) 6.508 5.707 ( 8.134 0.000 -7.516) 11.074 5.834 ( -5.953 0.000 -4.614) 7.532 5.885 ( 2.436 0.000 -0.724) 2.542 6.161 ( -4.708 0.000 9.147) 10.287 6.247 ( 13.490 0.000 -6.479) 14.965 6.390 ( -8.151 0.000 8.766) 11.971 6.402 ( 1.932 0.000 -3.166) 3.710 6.590 ( 0.188 0.000 0.889) 0.909 6.692 ( 3.273 0.000 -0.498) 3.311 6.862 ( 5.418 0.000 -8.663) 10.218 6.964 ( -1.285 0.000 4.559) 4.737 7.008 ( -6.889 0.000 -0.939) 6.953 7.132 ( 1.343 0.000 0.408) 1.403 7.164 ( 0.266 0.000 -2.117) 2.134 7.332 ( -6.177 0.000 1.125) 6.278 7.470 ( 1.203 0.000 0.717) 1.400 7.550 ( 0.220 0.000 8.889) 8.892 7.661 ( -3.388 0.000 5.023) 6.059 7.693 ( 0.850 0.000 -1.064) 1.362 7.809 ( -0.831 0.000 -3.299) 3.402 7.988 ( -1.597 0.000 7.338) 7.510 7.988 ( -7.986 0.000 1.882) 8.205 8.215 ( 3.320 0.000 1.767) 3.761 8.234 ( -0.419 0.000 -1.640) 1.693 8.259 ( -9.054 0.000 -1.402) 9.162 8.347 ( 4.445 0.000 1.808) 4.799 8.594 ( -3.937 0.000 -3.432) 5.223 8.728 ( 2.930 0.000 0.196) 2.936 9.273 ( -11.687 0.000 0.626) 11.703 9.498 ( -4.060 0.000 -1.555) 4.347 9.647 ( -9.930 0.000 4.824) 11.040 9.692 ( -4.456 0.000 -3.399) 5.605 9.998 ( 2.689 0.000 6.817) 7.328 10.090 ( 6.684 0.000 -12.713) 14.363 16.667 ( 2.914 0.000 -3.438) 4.507 16.683 ( 5.003 0.000 1.916) 5.357 16.842 ( 0.778 0.000 4.010) 4.085 16.889 ( -1.652 0.000 -3.701) 4.053 17.142 ( -1.918 0.000 0.989) 2.158 17.163 ( -1.028 0.000 0.172) 1.043 17.237 ( -3.324 0.000 2.859) 4.385 17.254 ( -3.546 0.000 -1.752) 3.955 22.559 ( 0.036 0.000 1.149) 1.150 22.582 ( -0.708 0.000 -1.645) 1.791 22.803 ( 0.172 0.000 1.113) 1.126 22.806 ( -0.852 0.000 -1.221) 1.489 26.402 ( 0.561 0.000 0.976) 1.126 26.427 ( 0.339 0.000 -1.168) 1.216 26.508 ( 0.174 0.000 0.574) 0.600 26.518 ( 0.368 0.000 -0.087) 0.378 35.641 ( -4.677 0.000 -6.585) 8.077 35.696 ( 9.736 0.000 3.838) 10.465 35.889 ( -1.666 0.000 -8.196) 8.364 35.889 ( 6.456 0.000 7.727) 10.069 35.915 ( 5.519 0.000 8.330) 9.993 36.182 ( 9.408 0.000 -8.470) 12.659 37.900 ( -8.332 0.000 -2.318) 8.648 38.021 ( 4.010 0.000 8.465) 9.367 ======================= Grid point 156 (71/136) ======================= q-point: ( 0.18 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 8.326 0.000 -14.801) 16.982 1.973 ( 9.996 0.000 8.873) 13.366 2.335 ( 9.210 0.000 -14.391) 17.086 2.349 ( 6.980 0.000 19.047) 20.286 2.766 ( -4.666 0.000 1.431) 4.881 3.066 ( 7.311 0.000 4.547) 8.610 3.437 ( 15.464 0.000 7.342) 17.119 3.487 ( 5.839 0.000 2.159) 6.225 3.580 ( 2.591 0.000 8.079) 8.484 3.887 ( 0.336 0.000 -8.367) 8.373 4.065 ( 1.986 0.000 7.738) 7.989 4.141 ( -13.199 0.000 5.167) 14.175 4.270 ( 4.971 0.000 -8.807) 10.113 4.480 ( -4.141 0.000 6.025) 7.311 4.508 ( 5.400 0.000 -1.630) 5.640 4.628 ( -3.823 0.000 -20.306) 20.663 4.721 ( 7.240 0.000 6.926) 10.019 4.846 ( -6.100 0.000 -2.828) 6.723 4.870 ( 2.549 0.000 8.511) 8.885 4.979 ( 14.978 0.000 -17.059) 22.701 5.195 ( 4.295 0.000 0.333) 4.308 5.288 ( 2.198 0.000 -1.028) 2.426 5.304 ( -1.341 0.000 2.101) 2.493 5.472 ( 2.718 0.000 5.173) 5.843 5.601 ( -5.446 0.000 -3.558) 6.505 5.680 ( 5.157 0.000 -0.539) 5.185 5.786 ( 9.503 0.000 -6.360) 11.435 5.900 ( 0.373 0.000 0.409) 0.553 5.914 ( 9.426 0.000 6.174) 11.268 6.164 ( -4.705 0.000 6.183) 7.770 6.357 ( -7.255 0.000 9.498) 11.952 6.368 ( 8.082 0.000 -8.079) 11.427 6.386 ( -0.937 0.000 -3.664) 3.782 6.598 ( 2.569 0.000 -2.847) 3.835 6.678 ( -4.303 0.000 -1.163) 4.458 6.790 ( -3.414 0.000 -4.274) 5.470 6.904 ( 1.036 0.000 -4.942) 5.049 7.018 ( 1.952 0.000 4.330) 4.749 7.103 ( -4.572 0.000 -1.144) 4.713 7.155 ( -1.157 0.000 2.435) 2.696 7.285 ( -1.668 0.000 2.688) 3.163 7.466 ( -1.348 0.000 -0.705) 1.521 7.653 ( -8.954 0.000 -5.630) 10.577 7.661 ( 0.053 0.000 3.048) 3.049 7.685 ( 3.505 0.000 3.051) 4.647 7.742 ( 5.504 0.000 0.313) 5.513 7.927 ( -8.664 0.000 0.116) 8.665 7.990 ( 0.720 0.000 3.189) 3.269 8.156 ( -0.123 0.000 -8.490) 8.491 8.158 ( -1.941 0.000 6.193) 6.490 8.336 ( 3.263 0.000 2.256) 3.967 8.473 ( 1.442 0.000 10.052) 10.155 8.501 ( -1.121 0.000 -3.990) 4.145 8.741 ( -1.451 0.000 -0.990) 1.757 9.037 ( -14.370 0.000 -3.678) 14.833 9.412 ( -5.759 0.000 1.070) 5.857 9.555 ( -8.225 0.000 4.282) 9.273 9.580 ( -4.823 0.000 -3.266) 5.825 9.991 ( -1.826 0.000 -12.695) 12.826 10.093 ( -3.102 0.000 10.591) 11.036 16.696 ( 4.889 0.000 -3.605) 6.074 16.780 ( 3.229 0.000 2.109) 3.857 16.818 ( -1.994 0.000 -3.908) 4.388 16.894 ( 0.573 0.000 3.062) 3.115 17.114 ( -2.936 0.000 1.063) 3.122 17.146 ( -1.369 0.000 0.449) 1.441 17.178 ( -2.254 0.000 -1.905) 2.951 17.197 ( -4.989 0.000 3.093) 5.870 22.554 ( -0.745 0.000 -1.181) 1.397 22.567 ( -0.288 0.000 0.679) 0.737 22.780 ( -0.671 0.000 -1.271) 1.437 22.811 ( -0.353 0.000 0.854) 0.924 26.421 ( 0.396 0.000 -1.005) 1.080 26.425 ( 0.929 0.000 0.997) 1.363 26.515 ( 0.281 0.000 0.129) 0.309 26.521 ( 0.260 0.000 -0.516) 0.578 35.522 ( -1.381 0.000 -5.950) 6.109 35.807 ( 0.256 0.000 -4.748) 4.755 35.872 ( 9.489 0.000 -0.348) 9.495 35.984 ( -0.160 0.000 8.873) 8.874 36.222 ( 14.713 0.000 9.489) 17.507 36.268 ( 11.775 0.000 -8.314) 14.414 37.756 ( -6.053 0.000 -3.965) 7.236 38.182 ( 2.995 0.000 10.463) 10.883 ======================= Grid point 157 (72/136) ======================= q-point: ( 0.27 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 12.559 0.000 -13.676) 18.568 2.142 ( 15.601 0.000 -9.973) 18.516 2.490 ( 11.727 0.000 4.739) 12.648 2.533 ( 0.356 0.000 0.654) 0.744 2.750 ( 3.560 0.000 0.998) 3.698 3.245 ( 8.314 0.000 2.801) 8.773 3.559 ( 0.064 0.000 5.989) 5.989 3.589 ( 2.550 0.000 4.654) 5.307 3.736 ( 5.847 0.000 1.812) 6.121 3.795 ( -5.361 0.000 -0.581) 5.392 3.950 ( -14.569 0.000 5.848) 15.699 4.287 ( 6.872 0.000 -5.359) 8.714 4.306 ( 7.413 0.000 6.049) 9.568 4.411 ( -1.806 0.000 -1.007) 2.068 4.413 ( -10.539 0.000 3.509) 11.108 4.536 ( -4.173 0.000 -2.561) 4.897 4.762 ( 6.472 0.000 -7.884) 10.200 4.911 ( 2.226 0.000 2.762) 3.547 5.017 ( 7.903 0.000 -14.812) 16.788 5.042 ( 12.481 0.000 4.795) 13.370 5.252 ( 0.426 0.000 -8.034) 8.045 5.295 ( -0.377 0.000 -0.486) 0.615 5.389 ( 12.171 0.000 12.046) 17.124 5.392 ( -3.261 0.000 -2.086) 3.871 5.634 ( 6.488 0.000 0.394) 6.500 5.810 ( 2.215 0.000 -6.973) 7.317 5.834 ( 7.162 0.000 6.694) 9.803 5.946 ( 4.433 0.000 0.190) 4.437 6.071 ( 6.659 0.000 -3.056) 7.327 6.151 ( -12.698 0.000 -10.590) 16.534 6.181 ( -0.902 0.000 4.827) 4.911 6.391 ( -1.704 0.000 12.180) 12.299 6.395 ( -1.064 0.000 -1.238) 1.632 6.618 ( -3.983 0.000 1.391) 4.219 6.623 ( 2.852 0.000 -1.073) 3.048 6.730 ( 2.210 0.000 -6.547) 6.910 6.897 ( 2.968 0.000 -3.274) 4.419 7.016 ( -4.161 0.000 0.905) 4.258 7.119 ( 3.629 0.000 4.174) 5.531 7.132 ( -4.246 0.000 2.976) 5.185 7.329 ( 0.560 0.000 3.074) 3.125 7.357 ( -8.209 0.000 -6.133) 10.247 7.530 ( -0.471 0.000 -1.703) 1.767 7.578 ( -7.580 0.000 -2.354) 7.937 7.778 ( 1.972 0.000 1.414) 2.427 7.865 ( 2.422 0.000 0.185) 2.429 7.877 ( 7.452 0.000 2.976) 8.024 7.972 ( 0.661 0.000 -6.001) 6.037 8.114 ( 0.003 0.000 -0.375) 0.375 8.196 ( -0.778 0.000 2.273) 2.403 8.383 ( 0.830 0.000 0.824) 1.170 8.537 ( 8.175 0.000 1.525) 8.316 8.558 ( -0.436 0.000 -0.312) 0.536 8.668 ( -6.604 0.000 4.904) 8.226 8.797 ( -9.559 0.000 -3.887) 10.319 9.336 ( -5.494 0.000 1.369) 5.662 9.460 ( -7.816 0.000 1.677) 7.994 9.475 ( -4.903 0.000 -1.548) 5.141 9.790 ( -8.031 0.000 -9.008) 12.068 10.103 ( -10.057 0.000 10.710) 14.692 16.737 ( 4.212 0.000 -3.657) 5.578 16.750 ( -0.991 0.000 -3.297) 3.443 16.816 ( 0.124 0.000 -0.031) 0.128 16.890 ( -2.881 0.000 -0.024) 2.881 17.068 ( -4.222 0.000 1.193) 4.387 17.130 ( -1.040 0.000 -0.023) 1.040 17.162 ( -3.274 0.000 3.325) 4.666 17.179 ( 2.199 0.000 1.463) 2.641 22.535 ( -0.439 0.000 -0.714) 0.838 22.565 ( -0.356 0.000 -0.002) 0.356 22.762 ( -0.088 0.000 -0.786) 0.791 22.811 ( -0.566 0.000 0.547) 0.786 26.421 ( 0.728 0.000 -0.639) 0.969 26.450 ( 0.787 0.000 1.003) 1.275 26.516 ( 0.004 0.000 -0.575) 0.575 26.519 ( 0.332 0.000 -0.357) 0.487 35.479 ( 2.205 0.000 -3.390) 4.044 35.804 ( 2.212 0.000 0.508) 2.270 35.985 ( 7.046 0.000 -3.400) 7.824 36.073 ( -1.382 0.000 9.701) 9.799 36.373 ( 10.760 0.000 -6.193) 12.415 36.555 ( 13.862 0.000 9.493) 16.801 37.615 ( -4.779 0.000 -6.364) 7.958 38.304 ( -1.003 0.000 7.867) 7.931 ======================= Grid point 158 (73/136) ======================= q-point: ( 0.36 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 13.005 0.000 -11.039) 17.058 2.295 ( 13.330 0.000 -8.453) 15.785 2.483 ( 0.413 0.000 -5.811) 5.826 2.703 ( 8.191 0.000 3.275) 8.821 2.832 ( 7.958 0.000 -5.294) 9.558 3.279 ( -3.541 0.000 -5.428) 6.481 3.551 ( -7.926 0.000 4.906) 9.321 3.672 ( 0.136 0.000 6.690) 6.692 3.779 ( 0.485 0.000 4.085) 4.114 3.833 ( -8.382 0.000 16.567) 18.567 3.906 ( 3.458 0.000 4.688) 5.825 4.140 ( -15.996 0.000 -3.171) 16.308 4.314 ( 4.675 0.000 -0.737) 4.733 4.368 ( 5.798 0.000 0.487) 5.818 4.503 ( -1.564 0.000 6.153) 6.349 4.598 ( 2.634 0.000 12.952) 13.217 4.717 ( -3.837 0.000 -9.653) 10.387 4.901 ( 0.699 0.000 -4.675) 4.727 5.017 ( 9.713 0.000 -7.950) 12.552 5.208 ( 10.954 0.000 -13.514) 17.396 5.253 ( 5.730 0.000 1.942) 6.050 5.292 ( 3.096 0.000 -3.339) 4.553 5.414 ( 5.182 0.000 -1.797) 5.485 5.613 ( 1.889 0.000 -7.581) 7.813 5.762 ( 1.139 0.000 -8.764) 8.838 5.762 ( 7.983 0.000 -0.272) 7.988 5.950 ( -0.208 0.000 2.827) 2.834 5.952 ( -3.732 0.000 8.786) 9.546 6.015 ( 4.382 0.000 2.089) 4.855 6.120 ( 1.324 0.000 1.279) 1.840 6.243 ( 6.149 0.000 2.366) 6.589 6.335 ( -6.978 0.000 -1.053) 7.057 6.484 ( -0.976 0.000 4.234) 4.345 6.563 ( -0.802 0.000 3.780) 3.864 6.652 ( 1.225 0.000 0.185) 1.239 6.697 ( 1.020 0.000 -5.220) 5.319 6.924 ( 1.428 0.000 -0.160) 1.437 7.007 ( 1.167 0.000 2.712) 2.953 7.072 ( -8.178 0.000 1.754) 8.364 7.133 ( -7.491 0.000 -7.675) 10.724 7.236 ( 3.690 0.000 3.389) 5.010 7.286 ( -4.512 0.000 0.812) 4.585 7.523 ( 1.995 0.000 -0.222) 2.007 7.534 ( 1.439 0.000 -0.460) 1.511 7.774 ( -1.970 0.000 0.152) 1.976 7.885 ( -1.947 0.000 -0.682) 2.063 7.966 ( 8.487 0.000 -1.586) 8.633 8.009 ( -0.967 0.000 -2.427) 2.613 8.168 ( 8.707 0.000 3.901) 9.541 8.183 ( -0.751 0.000 -0.786) 1.086 8.390 ( 0.216 0.000 -0.708) 0.741 8.468 ( -2.904 0.000 -4.691) 5.517 8.621 ( -7.573 0.000 -2.478) 7.968 8.691 ( -2.546 0.000 6.588) 7.063 8.743 ( 11.663 0.000 2.760) 11.985 9.237 ( -8.173 0.000 -2.896) 8.671 9.365 ( -2.306 0.000 0.591) 2.381 9.400 ( -3.115 0.000 0.174) 3.120 9.582 ( -9.470 0.000 -1.993) 9.677 9.997 ( -14.939 0.000 7.545) 16.736 16.697 ( -0.121 0.000 -3.369) 3.371 16.774 ( 3.522 0.000 -2.396) 4.260 16.786 ( -1.313 0.000 -3.297) 3.549 16.848 ( -2.221 0.000 0.679) 2.322 17.016 ( -3.873 0.000 1.732) 4.243 17.114 ( -0.583 0.000 -0.566) 0.813 17.161 ( -1.413 0.000 3.191) 3.490 17.224 ( 0.812 0.000 1.142) 1.401 22.525 ( -0.033 0.000 -0.291) 0.293 22.558 ( -0.241 0.000 -0.328) 0.407 22.760 ( 0.377 0.000 -0.206) 0.429 22.805 ( -0.653 0.000 0.223) 0.690 26.430 ( 0.918 0.000 -0.299) 0.966 26.468 ( 0.063 0.000 0.864) 0.866 26.513 ( 0.114 0.000 -0.130) 0.174 26.519 ( 0.414 0.000 -0.661) 0.779 35.518 ( 4.447 0.000 0.239) 4.453 35.883 ( 3.549 0.000 5.167) 6.269 36.026 ( 3.479 0.000 -4.797) 5.926 36.131 ( -3.235 0.000 7.974) 8.606 36.485 ( 9.404 0.000 -2.748) 9.797 36.841 ( 8.249 0.000 9.119) 12.296 37.485 ( -0.955 0.000 -7.535) 7.596 38.289 ( -6.731 0.000 0.560) 6.754 ======================= Grid point 159 (74/136) ======================= q-point: ( 0.45 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 10.762 0.000 -10.265) 14.873 2.276 ( -6.140 0.000 -8.611) 10.576 2.466 ( 1.998 0.000 -0.604) 2.087 2.773 ( -0.682 0.000 -5.799) 5.839 2.908 ( 10.262 0.000 -7.284) 12.584 3.139 ( -5.638 0.000 -4.480) 7.201 3.449 ( -16.040 0.000 13.848) 21.190 3.635 ( -2.659 0.000 2.067) 3.367 3.823 ( 0.946 0.000 1.379) 1.672 3.935 ( -0.073 0.000 13.058) 13.058 3.982 ( 2.897 0.000 2.405) 3.765 4.125 ( 5.373 0.000 11.056) 12.293 4.443 ( -3.092 0.000 4.098) 5.133 4.443 ( 5.926 0.000 1.658) 6.153 4.539 ( -4.577 0.000 4.346) 6.311 4.607 ( 9.242 0.000 -7.182) 11.704 4.704 ( -4.977 0.000 12.183) 13.161 4.885 ( 6.550 0.000 -8.068) 10.392 5.066 ( 4.898 0.000 -3.445) 5.988 5.194 ( -1.307 0.000 -11.809) 11.882 5.321 ( 10.068 0.000 -5.673) 11.556 5.326 ( -3.849 0.000 1.932) 4.307 5.480 ( 11.547 0.000 -7.768) 13.917 5.497 ( -0.490 0.000 -5.963) 5.983 5.687 ( -3.742 0.000 -7.904) 8.745 5.785 ( -2.293 0.000 -4.898) 5.408 5.910 ( -5.802 0.000 0.933) 5.877 5.953 ( -1.865 0.000 0.245) 1.881 6.121 ( -10.875 0.000 -0.281) 10.879 6.150 ( -2.705 0.000 7.593) 8.061 6.179 ( 6.585 0.000 6.531) 9.274 6.386 ( -0.496 0.000 1.143) 1.246 6.458 ( 9.043 0.000 -5.000) 10.333 6.630 ( -5.070 0.000 -1.472) 5.279 6.673 ( 0.562 0.000 0.119) 0.574 6.787 ( 7.503 0.000 3.340) 8.213 6.865 ( -2.308 0.000 1.466) 2.735 6.916 ( -4.597 0.000 -8.555) 9.711 6.997 ( -1.299 0.000 4.045) 4.248 7.132 ( 5.738 0.000 5.068) 7.656 7.299 ( 3.158 0.000 2.072) 3.777 7.331 ( 3.728 0.000 2.250) 4.354 7.547 ( -1.388 0.000 1.011) 1.717 7.549 ( 1.799 0.000 -1.884) 2.605 7.738 ( -2.280 0.000 0.511) 2.337 7.848 ( -3.943 0.000 1.565) 4.242 7.926 ( -5.832 0.000 -0.293) 5.840 8.034 ( 2.104 0.000 -3.457) 4.047 8.200 ( 3.569 0.000 0.337) 3.584 8.297 ( -2.813 0.000 1.139) 3.035 8.385 ( 0.955 0.000 -1.225) 1.553 8.418 ( 3.179 0.000 -3.010) 4.378 8.558 ( 6.318 0.000 -1.366) 6.464 8.713 ( -2.524 0.000 5.999) 6.509 8.846 ( -4.390 0.000 -0.547) 4.423 9.041 ( -3.950 0.000 -8.529) 9.400 9.390 ( 0.956 0.000 1.343) 1.648 9.435 ( -3.167 0.000 4.736) 5.697 9.493 ( 8.903 0.000 1.543) 9.036 9.802 ( -15.582 0.000 3.141) 15.896 16.674 ( 1.111 0.000 -2.653) 2.877 16.727 ( -1.264 0.000 -3.400) 3.627 16.803 ( 2.745 0.000 -1.568) 3.161 16.823 ( -1.528 0.000 -0.173) 1.538 16.988 ( -2.259 0.000 2.375) 3.278 17.099 ( -0.084 0.000 -1.397) 1.400 17.179 ( -0.373 0.000 2.835) 2.859 17.229 ( -0.763 0.000 0.418) 0.871 22.527 ( 0.355 0.000 0.030) 0.356 22.550 ( -0.286 0.000 -0.465) 0.546 22.769 ( 0.696 0.000 0.203) 0.725 22.795 ( -0.711 0.000 -0.088) 0.717 26.442 ( 0.769 0.000 0.017) 0.769 26.468 ( -0.859 0.000 0.282) 0.904 26.518 ( 0.369 0.000 0.191) 0.415 26.520 ( 0.372 0.000 -0.417) 0.559 35.614 ( 4.585 0.000 3.407) 5.713 35.992 ( -0.421 0.000 -6.363) 6.377 36.014 ( 4.079 0.000 7.584) 8.612 36.134 ( -5.289 0.000 5.587) 7.694 36.621 ( 8.780 0.000 0.947) 8.831 36.946 ( -4.116 0.000 2.842) 5.002 37.494 ( 8.891 0.000 -0.852) 8.932 38.108 ( -11.151 0.000 -6.832) 13.078 ======================= Grid point 160 (75/136) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -16.551 0.000 -7.437) 18.145 2.120 ( -0.205 0.000 -6.310) 6.314 2.541 ( 2.260 0.000 8.256) 8.560 2.568 ( -11.268 0.000 -8.355) 14.028 2.961 ( -10.618 0.000 -5.230) 11.836 2.996 ( 8.862 0.000 -6.246) 10.842 3.366 ( -12.975 0.000 16.160) 20.724 3.813 ( 13.869 0.000 7.954) 15.988 3.856 ( 1.541 0.000 1.877) 2.428 3.968 ( 2.140 0.000 -4.769) 5.228 4.177 ( 4.570 0.000 16.691) 17.306 4.324 ( 2.514 0.000 1.971) 3.195 4.380 ( 0.759 0.000 3.856) 3.930 4.426 ( -2.776 0.000 -9.457) 9.856 4.597 ( 1.012 0.000 8.904) 8.961 4.707 ( 10.708 0.000 -8.232) 13.507 4.713 ( -7.018 0.000 3.565) 7.871 4.937 ( 9.762 0.000 -7.372) 12.233 5.027 ( -9.282 0.000 -5.042) 10.564 5.139 ( 5.405 0.000 1.603) 5.637 5.205 ( -9.849 0.000 -2.345) 10.125 5.293 ( -3.431 0.000 -5.678) 6.634 5.294 ( -19.570 0.000 -5.756) 20.399 5.563 ( 3.958 0.000 4.939) 6.329 5.619 ( 6.897 0.000 -7.330) 10.064 5.656 ( -5.151 0.000 -6.225) 8.080 5.877 ( -2.188 0.000 0.678) 2.290 5.968 ( 6.893 0.000 0.126) 6.894 6.092 ( 3.089 0.000 5.458) 6.271 6.176 ( -5.972 0.000 8.877) 10.699 6.298 ( -3.281 0.000 -1.594) 3.648 6.313 ( -1.198 0.000 2.145) 2.457 6.517 ( -3.289 0.000 2.920) 4.399 6.565 ( -0.992 0.000 -5.922) 6.004 6.663 ( -4.070 0.000 -9.086) 9.956 6.728 ( 15.249 0.000 -3.003) 15.542 6.853 ( 0.387 0.000 1.279) 1.336 6.910 ( 0.923 0.000 -5.040) 5.124 7.132 ( 1.343 0.000 8.917) 9.018 7.264 ( 4.197 0.000 2.225) 4.750 7.388 ( -3.484 0.000 2.260) 4.153 7.403 ( 2.638 0.000 5.647) 6.233 7.460 ( -6.211 0.000 -0.504) 6.231 7.521 ( -0.753 0.000 -6.015) 6.062 7.787 ( -4.328 0.000 -0.327) 4.341 7.788 ( 6.624 0.000 6.554) 9.319 7.868 ( -0.175 0.000 1.912) 1.920 7.983 ( -2.860 0.000 -4.212) 5.091 8.233 ( -0.265 0.000 -1.432) 1.457 8.249 ( -1.657 0.000 -1.766) 2.422 8.369 ( -3.616 0.000 -1.944) 4.105 8.400 ( -0.545 0.000 0.678) 0.870 8.647 ( -10.790 0.000 -3.426) 11.321 8.708 ( 0.406 0.000 5.755) 5.769 8.807 ( 12.873 0.000 2.053) 13.035 8.976 ( 2.907 0.000 -6.178) 6.828 9.401 ( -1.674 0.000 1.631) 2.337 9.447 ( 2.499 0.000 1.727) 3.038 9.603 ( -8.515 0.000 -0.843) 8.556 9.796 ( 19.820 0.000 3.491) 20.125 16.675 ( 1.862 0.000 -1.735) 2.545 16.677 ( -0.887 0.000 -2.739) 2.879 16.792 ( -1.579 0.000 -1.039) 1.890 16.832 ( 2.596 0.000 -0.834) 2.727 16.994 ( -0.470 0.000 2.814) 2.853 17.084 ( 0.475 0.000 -1.784) 1.846 17.205 ( 0.065 0.000 2.363) 2.364 17.222 ( -0.466 0.000 0.501) 0.685 22.536 ( 0.615 0.000 0.159) 0.635 22.539 ( -0.371 0.000 -0.541) 0.656 22.781 ( -0.777 0.000 -0.334) 0.846 22.785 ( 0.894 0.000 0.381) 0.972 26.450 ( -1.304 0.000 -0.148) 1.312 26.455 ( 0.664 0.000 0.460) 0.808 26.520 ( -0.117 0.000 -0.148) 0.189 26.523 ( 0.119 0.000 -0.111) 0.163 35.721 ( 2.897 0.000 5.036) 5.809 35.881 ( -3.902 0.000 -7.860) 8.775 36.084 ( -6.748 0.000 3.354) 7.535 36.159 ( 3.683 0.000 7.490) 8.346 36.785 ( 8.185 0.000 4.050) 9.132 36.821 ( -8.827 0.000 -3.637) 9.547 37.707 ( 11.254 0.000 7.804) 13.695 37.812 ( -13.079 0.000 -11.157) 17.191 ======================= Grid point 161 (76/136) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( -18.148 0.000 -1.120) 18.183 1.944 ( -18.410 0.000 2.061) 18.525 2.334 ( -9.830 0.000 -2.052) 10.042 2.677 ( -3.525 0.000 16.541) 16.912 2.735 ( -8.624 0.000 -4.732) 9.837 3.036 ( 5.667 0.000 -9.353) 10.936 3.387 ( -4.284 0.000 12.128) 12.862 3.901 ( 2.536 0.000 0.604) 2.607 3.942 ( 1.383 0.000 -4.556) 4.761 4.039 ( 5.126 0.000 -2.714) 5.800 4.096 ( -33.164 0.000 1.235) 33.187 4.359 ( 2.759 0.000 1.222) 3.017 4.415 ( 6.343 0.000 5.841) 8.622 4.501 ( 8.402 0.000 4.396) 9.483 4.542 ( -3.070 0.000 -7.878) 8.455 4.722 ( 8.275 0.000 -8.632) 11.958 4.783 ( 4.315 0.000 7.765) 8.884 4.865 ( -10.355 0.000 10.962) 15.079 4.979 ( -4.265 0.000 -9.417) 10.337 5.028 ( -0.794 0.000 -1.899) 2.059 5.108 ( 5.736 0.000 -9.358) 10.976 5.143 ( -2.842 0.000 -6.899) 7.461 5.272 ( 3.267 0.000 4.844) 5.842 5.442 ( -11.810 0.000 -6.663) 13.559 5.506 ( -5.629 0.000 -5.702) 8.012 5.742 ( 8.279 0.000 5.286) 9.823 5.975 ( 3.550 0.000 4.021) 5.364 6.023 ( -1.477 0.000 -3.989) 4.253 6.134 ( -8.363 0.000 7.507) 11.238 6.171 ( -3.822 0.000 5.499) 6.696 6.266 ( -2.841 0.000 3.078) 4.189 6.314 ( 8.656 0.000 6.388) 10.757 6.474 ( -5.324 0.000 -7.698) 9.360 6.515 ( 5.251 0.000 -5.977) 7.956 6.678 ( 7.610 0.000 7.491) 10.678 6.832 ( -8.537 0.000 -2.561) 8.913 6.849 ( -0.967 0.000 -5.997) 6.074 6.879 ( 0.826 0.000 1.771) 1.955 7.176 ( -0.332 0.000 0.533) 0.628 7.216 ( -1.585 0.000 -2.757) 3.180 7.326 ( 0.667 0.000 2.338) 2.431 7.413 ( -2.472 0.000 -6.494) 6.948 7.465 ( -1.885 0.000 4.538) 4.914 7.503 ( 4.042 0.000 0.466) 4.069 7.745 ( -0.132 0.000 -0.398) 0.419 7.852 ( -7.249 0.000 -2.472) 7.659 7.901 ( -0.883 0.000 1.714) 1.928 8.003 ( 4.036 0.000 3.162) 5.127 8.180 ( -2.897 0.000 -0.907) 3.036 8.194 ( -0.585 0.000 2.791) 2.851 8.293 ( -10.266 0.000 -0.401) 10.274 8.336 ( 0.973 0.000 -0.691) 1.193 8.562 ( 1.144 0.000 -1.844) 2.170 8.727 ( -3.383 0.000 3.513) 4.877 8.992 ( 6.740 0.000 -4.736) 8.238 9.056 ( 13.163 0.000 2.876) 13.473 9.411 ( -3.249 0.000 -1.392) 3.535 9.422 ( 2.630 0.000 0.416) 2.663 9.623 ( 7.969 0.000 -0.269) 7.974 10.149 ( 20.347 0.000 1.182) 20.382 16.645 ( -0.283 0.000 -1.449) 1.477 16.694 ( 1.944 0.000 -0.598) 2.034 16.750 ( -2.112 0.000 -1.341) 2.502 16.869 ( 2.844 0.000 -0.442) 2.878 17.028 ( 0.846 0.000 2.847) 2.970 17.082 ( 1.452 0.000 -1.193) 1.879 17.227 ( 0.586 0.000 0.141) 0.602 17.229 ( 0.137 0.000 1.781) 1.786 22.528 ( -0.317 0.000 -0.445) 0.546 22.548 ( 0.608 0.000 0.023) 0.609 22.764 ( -0.807 0.000 -0.391) 0.897 22.804 ( 0.963 0.000 0.319) 1.014 26.426 ( -1.399 0.000 -0.130) 1.405 26.472 ( 0.538 0.000 0.758) 0.929 26.512 ( -0.593 0.000 -0.065) 0.597 26.517 ( -0.468 0.000 -0.634) 0.788 35.714 ( -5.756 0.000 -8.204) 10.022 35.804 ( 0.728 0.000 4.929) 4.982 35.997 ( -7.180 0.000 1.666) 7.371 36.277 ( 2.212 0.000 5.317) 5.759 36.620 ( -9.421 0.000 -6.393) 11.386 36.940 ( 3.072 0.000 4.996) 5.865 37.497 ( -8.993 0.000 -11.355) 14.485 37.989 ( 10.177 0.000 12.624) 16.215 ======================= Grid point 162 (77/136) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -20.992 0.000 7.560) 22.312 1.611 ( -28.571 0.000 8.161) 29.714 2.228 ( -4.649 0.000 4.823) 6.699 2.650 ( 2.147 0.000 -0.584) 2.225 2.726 ( -15.271 0.000 20.269) 25.378 2.927 ( -10.975 0.000 -8.331) 13.779 3.279 ( -26.300 0.000 4.371) 26.661 3.716 ( -11.299 0.000 15.276) 19.001 3.937 ( 2.213 0.000 -4.206) 4.753 3.943 ( 1.176 0.000 -1.153) 1.647 4.003 ( 1.096 0.000 -6.185) 6.281 4.271 ( -6.876 0.000 -8.596) 11.008 4.422 ( 4.918 0.000 -8.547) 9.861 4.590 ( 1.109 0.000 6.545) 6.638 4.660 ( 7.336 0.000 -14.267) 16.043 4.766 ( -8.117 0.000 -6.843) 10.617 4.778 ( 6.884 0.000 3.917) 7.920 4.933 ( 0.638 0.000 13.378) 13.393 4.967 ( -0.200 0.000 -2.915) 2.922 4.974 ( 5.663 0.000 5.390) 7.818 5.074 ( 3.725 0.000 -1.616) 4.061 5.216 ( -8.412 0.000 -2.226) 8.701 5.231 ( 18.741 0.000 -11.723) 22.105 5.305 ( -5.907 0.000 0.796) 5.960 5.425 ( -2.335 0.000 6.636) 7.035 5.831 ( -4.688 0.000 -5.477) 7.209 5.898 ( 0.837 0.000 0.195) 0.859 5.955 ( -4.886 0.000 -0.854) 4.960 6.166 ( -1.141 0.000 9.269) 9.339 6.235 ( -0.467 0.000 -1.555) 1.624 6.257 ( -5.270 0.000 7.866) 9.468 6.373 ( 2.584 0.000 -1.552) 3.014 6.440 ( -12.949 0.000 -10.095) 16.419 6.546 ( 10.054 0.000 7.444) 12.510 6.650 ( 1.811 0.000 -1.055) 2.095 6.711 ( -4.162 0.000 -6.114) 7.396 6.861 ( -4.851 0.000 1.480) 5.072 6.915 ( 5.588 0.000 11.240) 12.552 7.163 ( 2.440 0.000 -5.136) 5.687 7.183 ( -3.835 0.000 -0.296) 3.846 7.324 ( -1.435 0.000 -3.728) 3.995 7.446 ( -4.296 0.000 0.593) 4.336 7.446 ( 8.268 0.000 3.676) 9.048 7.532 ( 0.859 0.000 -3.467) 3.572 7.728 ( -7.471 0.000 3.712) 8.343 7.772 ( 1.313 0.000 1.519) 2.008 7.853 ( -1.766 0.000 -0.742) 1.915 7.926 ( -6.261 0.000 -2.566) 6.766 8.133 ( -7.546 0.000 -1.727) 7.741 8.201 ( 3.329 0.000 1.761) 3.766 8.316 ( 1.307 0.000 8.128) 8.232 8.354 ( 1.535 0.000 -0.631) 1.659 8.574 ( 1.476 0.000 0.825) 1.691 8.683 ( -2.606 0.000 -1.700) 3.111 9.083 ( 10.075 0.000 -4.991) 11.244 9.267 ( 7.027 0.000 5.390) 8.856 9.400 ( 4.821 0.000 -2.481) 5.422 9.481 ( 4.359 0.000 -0.433) 4.380 9.753 ( 8.170 0.000 -0.982) 8.228 10.445 ( 16.997 0.000 -3.281) 17.311 16.639 ( 0.358 0.000 0.223) 0.422 16.699 ( -2.493 0.000 -1.087) 2.720 16.725 ( 1.764 0.000 1.045) 2.051 16.912 ( 3.019 0.000 -0.461) 3.054 17.075 ( 1.366 0.000 2.365) 2.731 17.105 ( 2.364 0.000 -0.395) 2.396 17.241 ( -0.449 0.000 0.393) 0.597 17.243 ( 1.574 0.000 -0.406) 1.625 22.521 ( -0.128 0.000 -0.148) 0.196 22.554 ( 0.283 0.000 -0.103) 0.301 22.749 ( -0.672 0.000 -0.141) 0.687 22.821 ( 0.900 0.000 0.098) 0.906 26.404 ( -1.264 0.000 0.103) 1.269 26.487 ( 0.317 0.000 0.773) 0.835 26.496 ( -0.923 0.000 -0.941) 1.318 26.501 ( -0.753 0.000 0.099) 0.759 35.544 ( -5.137 0.000 -6.529) 8.308 35.848 ( -0.619 0.000 3.427) 3.483 35.897 ( -6.355 0.000 0.281) 6.362 36.334 ( 0.101 0.000 1.743) 1.745 36.383 ( -10.821 0.000 -8.230) 13.595 36.867 ( -13.486 0.000 -3.256) 13.874 37.410 ( 7.119 0.000 -1.810) 7.345 38.286 ( 9.713 0.000 12.299) 15.672 ======================= Grid point 163 (78/136) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -22.148 0.000 16.946) 27.887 1.259 ( -28.619 0.000 15.851) 32.716 2.298 ( 2.136 0.000 11.469) 11.666 2.462 ( -42.407 0.000 18.468) 46.254 2.661 ( -21.158 0.000 18.911) 28.378 2.763 ( 10.024 0.000 0.819) 10.058 2.980 ( -8.347 0.000 -7.484) 11.211 3.793 ( -8.087 0.000 18.324) 20.029 3.800 ( -8.196 0.000 -11.400) 14.041 3.934 ( 2.162 0.000 -5.479) 5.890 3.993 ( 3.665 0.000 -12.828) 13.341 4.090 ( -1.411 0.000 -1.032) 1.748 4.429 ( -4.144 0.000 7.754) 8.792 4.569 ( -4.657 0.000 -4.944) 6.792 4.609 ( 3.117 0.000 -8.995) 9.520 4.753 ( 13.725 0.000 -3.970) 14.288 4.816 ( 2.625 0.000 -6.549) 7.055 4.980 ( 5.069 0.000 -1.935) 5.426 4.991 ( -6.861 0.000 -4.121) 8.003 5.037 ( 5.022 0.000 -12.757) 13.710 5.140 ( 6.576 0.000 12.569) 14.186 5.220 ( 3.228 0.000 5.339) 6.239 5.288 ( -9.187 0.000 9.847) 13.467 5.433 ( 18.411 0.000 -6.824) 19.635 5.485 ( -0.050 0.000 9.449) 9.449 5.656 ( -7.731 0.000 -3.927) 8.672 5.878 ( -4.793 0.000 1.253) 4.954 5.945 ( 3.504 0.000 -0.353) 3.522 6.085 ( -8.919 0.000 -7.707) 11.788 6.140 ( -0.724 0.000 -10.922) 10.946 6.260 ( -3.819 0.000 6.656) 7.674 6.293 ( -3.101 0.000 10.815) 11.250 6.361 ( -2.771 0.000 -5.182) 5.877 6.580 ( -0.814 0.000 -3.777) 3.864 6.691 ( 1.055 0.000 -1.346) 1.710 6.775 ( -5.852 0.000 2.706) 6.447 6.783 ( 7.592 0.000 1.001) 7.658 7.095 ( 2.239 0.000 5.632) 6.060 7.120 ( -4.676 0.000 2.837) 5.469 7.166 ( 3.298 0.000 -6.007) 6.853 7.299 ( 4.425 0.000 2.579) 5.121 7.370 ( -5.528 0.000 4.633) 7.213 7.463 ( -2.950 0.000 -4.224) 5.152 7.610 ( 6.570 0.000 2.430) 7.005 7.682 ( -5.057 0.000 4.955) 7.080 7.767 ( 0.902 0.000 -0.820) 1.219 7.841 ( -3.382 0.000 0.211) 3.388 7.942 ( 7.313 0.000 3.859) 8.269 8.051 ( -3.314 0.000 3.355) 4.716 8.255 ( 1.464 0.000 -1.047) 1.800 8.358 ( -0.092 0.000 -0.871) 0.876 8.390 ( 0.945 0.000 8.796) 8.847 8.631 ( 1.248 0.000 4.297) 4.475 8.632 ( 1.785 0.000 -5.651) 5.926 9.188 ( 10.643 0.000 -6.232) 12.333 9.372 ( 0.618 0.000 4.332) 4.376 9.518 ( 9.069 0.000 1.375) 9.173 9.542 ( 3.920 0.000 -0.664) 3.976 9.847 ( 5.628 0.000 -2.444) 6.136 10.577 ( 7.109 0.000 -11.002) 13.098 16.632 ( -2.024 0.000 -0.580) 2.106 16.679 ( 0.709 0.000 1.793) 1.928 16.773 ( 1.559 0.000 2.314) 2.790 16.954 ( 2.929 0.000 -0.502) 2.971 17.116 ( 1.102 0.000 1.539) 1.893 17.142 ( 2.206 0.000 -0.096) 2.208 17.209 ( -2.452 0.000 -2.254) 3.331 17.269 ( 2.229 0.000 -0.399) 2.265 22.522 ( 0.100 0.000 0.281) 0.298 22.561 ( 0.597 0.000 0.735) 0.947 22.741 ( -0.343 0.000 0.319) 0.468 22.833 ( 0.662 0.000 -0.192) 0.689 26.389 ( -0.912 0.000 0.398) 0.995 26.470 ( -0.846 0.000 -1.129) 1.411 26.493 ( -0.643 0.000 0.466) 0.794 26.498 ( 0.054 0.000 0.762) 0.764 35.432 ( -2.069 0.000 -3.047) 3.683 35.798 ( -5.334 0.000 -2.052) 5.715 35.860 ( -0.658 0.000 0.920) 1.131 36.094 ( -15.440 0.000 -5.563) 16.412 36.316 ( -1.912 0.000 -2.170) 2.893 36.563 ( -15.339 0.000 -7.054) 16.883 37.564 ( 9.144 0.000 2.740) 9.545 38.497 ( 5.129 0.000 0.272) 5.136 ======================= Grid point 164 (79/136) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -12.623 0.000 25.891) 28.805 1.156 ( -11.674 0.000 31.193) 33.306 2.115 ( -33.473 0.000 34.977) 48.413 2.497 ( 3.213 0.000 15.633) 15.959 2.507 ( -16.258 0.000 9.406) 18.783 2.828 ( -4.466 0.000 -0.917) 4.560 2.928 ( 13.177 0.000 -7.844) 15.335 3.476 ( -13.588 0.000 -11.835) 18.020 3.777 ( -12.949 0.000 12.135) 17.747 3.921 ( 2.586 0.000 -3.926) 4.701 3.927 ( 7.886 0.000 -13.569) 15.694 4.144 ( 0.751 0.000 7.103) 7.143 4.419 ( -4.277 0.000 1.194) 4.441 4.525 ( -0.176 0.000 5.130) 5.133 4.572 ( 2.221 0.000 -9.410) 9.668 4.730 ( -4.498 0.000 -6.719) 8.086 4.853 ( 6.505 0.000 -10.914) 12.705 4.863 ( 7.920 0.000 -12.716) 14.981 5.046 ( 2.223 0.000 -4.957) 5.432 5.067 ( 8.060 0.000 -3.101) 8.636 5.132 ( -8.918 0.000 -0.331) 8.924 5.302 ( 0.784 0.000 2.506) 2.626 5.315 ( 1.218 0.000 2.483) 2.765 5.497 ( -5.035 0.000 1.069) 5.147 5.550 ( -1.162 0.000 3.011) 3.227 5.655 ( 7.503 0.000 -2.648) 7.957 5.791 ( -7.476 0.000 -0.237) 7.479 5.942 ( 4.569 0.000 -19.265) 19.800 5.980 ( -4.821 0.000 7.016) 8.513 6.045 ( 3.666 0.000 -4.736) 5.989 6.242 ( -5.559 0.000 2.307) 6.019 6.362 ( 7.054 0.000 7.276) 10.134 6.365 ( -2.848 0.000 10.766) 11.136 6.537 ( -0.226 0.000 -5.671) 5.676 6.617 ( -5.603 0.000 1.148) 5.720 6.791 ( 3.296 0.000 -9.755) 10.297 6.824 ( 2.545 0.000 7.055) 7.500 7.096 ( -3.307 0.000 -1.629) 3.687 7.107 ( -1.255 0.000 3.394) 3.618 7.138 ( 2.979 0.000 -2.619) 3.966 7.355 ( -2.693 0.000 6.389) 6.934 7.390 ( -0.307 0.000 -2.892) 2.909 7.538 ( 5.083 0.000 7.263) 8.865 7.659 ( 0.457 0.000 3.314) 3.345 7.684 ( 0.317 0.000 2.007) 2.032 7.822 ( 5.673 0.000 -1.068) 5.773 7.838 ( -1.979 0.000 6.166) 6.475 8.012 ( -4.637 0.000 1.937) 5.026 8.092 ( 5.214 0.000 3.049) 6.039 8.211 ( -3.433 0.000 -2.189) 4.072 8.341 ( 0.314 0.000 -2.610) 2.629 8.581 ( 6.204 0.000 3.898) 7.327 8.629 ( 5.061 0.000 -5.745) 7.656 8.677 ( -0.877 0.000 3.507) 3.615 9.363 ( 19.878 0.000 -2.810) 20.076 9.405 ( -1.497 0.000 3.398) 3.713 9.594 ( 3.416 0.000 0.395) 3.438 9.675 ( 5.782 0.000 4.821) 7.528 9.880 ( 2.924 0.000 -4.009) 4.962 10.402 ( -11.490 0.000 -13.368) 17.627 16.599 ( -0.843 0.000 -0.383) 0.926 16.727 ( 1.312 0.000 3.386) 3.632 16.775 ( -3.166 0.000 -1.502) 3.504 16.980 ( 0.607 0.000 -1.988) 2.078 17.145 ( 1.211 0.000 1.193) 1.700 17.165 ( 0.369 0.000 0.965) 1.033 17.167 ( 1.082 0.000 -0.218) 1.103 17.300 ( 1.561 0.000 -0.081) 1.563 22.530 ( 0.260 0.000 0.742) 0.787 22.594 ( 2.079 0.000 0.270) 2.097 22.749 ( 0.519 0.000 1.212) 1.319 22.837 ( 0.201 0.000 -0.507) 0.545 26.384 ( -0.474 0.000 0.721) 0.863 26.448 ( -0.364 0.000 -1.151) 1.207 26.491 ( -0.355 0.000 0.841) 0.913 26.506 ( 0.015 0.000 0.612) 0.612 35.420 ( 1.352 0.000 1.540) 2.049 35.653 ( -9.296 0.000 0.665) 9.320 35.847 ( -0.392 0.000 -2.216) 2.250 35.877 ( -8.970 0.000 4.946) 10.244 36.228 ( -6.258 0.000 -4.495) 7.705 36.272 ( -7.610 0.000 -9.054) 11.828 37.732 ( 7.017 0.000 4.111) 8.133 38.387 ( -10.664 0.000 -9.845) 14.514 ======================= Grid point 165 (80/136) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 2.990 4.049 27.568) 28.023 1.656 ( -3.937 12.504 31.287) 33.922 2.168 ( -2.301 4.627 -0.898) 5.245 2.454 ( -4.200 1.620 20.892) 21.372 2.677 ( -1.813 -0.144 9.628) 9.798 2.770 ( -1.884 0.081 8.651) 8.854 3.002 ( 2.412 6.968 -20.429) 21.719 3.280 ( 1.934 0.674 3.278) 3.865 3.609 ( -8.597 -6.645 4.485) 11.755 3.883 ( 2.738 -3.411 -1.810) 4.733 3.972 ( 9.450 2.221 -2.608) 10.052 4.162 ( 2.604 -12.583 -4.867) 13.741 4.332 ( -3.305 4.019 8.282) 9.781 4.386 ( -4.761 -6.230 0.275) 7.845 4.572 ( -1.196 1.653 -4.909) 5.316 4.749 ( 2.787 0.057 -5.296) 5.985 4.827 ( 0.535 4.776 -12.269) 13.177 4.919 ( 4.235 6.976 -13.204) 15.523 4.978 ( 1.936 1.192 1.343) 2.641 5.099 ( -2.576 -3.494 -0.185) 4.345 5.187 ( 4.641 2.853 -6.745) 8.670 5.215 ( -3.476 -0.458 -4.107) 5.400 5.288 ( 2.581 2.009 1.397) 3.556 5.434 ( -5.618 1.170 -1.721) 5.991 5.544 ( 0.571 -0.478 2.650) 2.753 5.633 ( 0.938 -1.030 -2.582) 2.934 5.762 ( -2.633 3.652 -2.216) 5.018 5.943 ( 3.084 7.742 -6.648) 10.661 5.963 ( -1.760 -1.082 4.129) 4.617 6.098 ( 2.500 -0.507 -3.126) 4.035 6.161 ( -0.165 0.477 -1.304) 1.398 6.304 ( -4.753 -9.449 5.817) 12.071 6.439 ( -2.399 -1.504 -0.596) 2.893 6.535 ( 2.869 -7.250 3.446) 8.524 6.625 ( 3.381 4.678 3.497) 6.749 6.762 ( 0.728 -10.604 3.717) 11.260 6.780 ( 5.335 -6.782 -2.016) 8.861 6.931 ( 0.061 -7.645 -0.435) 7.658 7.074 ( -0.834 -4.258 -0.951) 4.442 7.178 ( 1.783 2.421 -4.740) 5.613 7.373 ( -0.847 -0.923 8.308) 8.402 7.439 ( 4.813 -10.831 5.400) 13.024 7.545 ( 0.248 0.004 5.804) 5.809 7.606 ( -5.544 3.928 2.569) 7.264 7.719 ( -6.128 -1.016 1.787) 6.463 7.813 ( 1.876 -1.051 2.965) 3.663 7.874 ( -0.312 -2.747 -6.881) 7.416 8.018 ( 1.737 -3.032 2.361) 4.218 8.126 ( -3.715 3.147 0.592) 4.905 8.231 ( -1.901 -4.961 -5.771) 7.845 8.395 ( 4.744 11.513 1.883) 12.594 8.477 ( -5.012 5.405 0.548) 7.391 8.724 ( -0.402 5.183 3.778) 6.427 8.852 ( 1.501 10.139 -1.334) 10.336 9.301 ( -1.301 -6.571 6.858) 9.586 9.517 ( 0.124 -3.311 -3.598) 4.891 9.604 ( -0.097 -7.951 5.159) 9.479 9.805 ( 1.877 -1.532 5.011) 5.566 9.936 ( 2.214 7.061 -8.224) 11.063 10.244 ( -2.616 9.599 -17.722) 20.324 16.621 ( 2.126 1.061 0.676) 2.471 16.702 ( -1.373 1.147 -2.757) 3.286 16.778 ( 0.951 -0.735 3.714) 3.904 16.932 ( -0.683 -1.304 -3.070) 3.405 17.156 ( -0.802 0.139 0.820) 1.156 17.169 ( -0.273 -0.154 0.184) 0.364 17.246 ( 0.968 1.729 2.374) 3.092 17.310 ( -0.902 0.471 -0.196) 1.036 22.545 ( 0.080 0.092 0.703) 0.713 22.601 ( 0.166 -0.515 -1.787) 1.867 22.790 ( 0.926 0.992 1.225) 1.828 22.833 ( -0.208 0.442 -0.754) 0.898 26.388 ( -0.076 0.006 0.728) 0.732 26.426 ( 0.260 -0.666 -0.971) 1.206 26.515 ( 0.083 1.357 0.805) 1.580 26.522 ( 0.251 0.883 0.554) 1.072 35.508 ( 4.898 -0.199 6.284) 7.970 35.635 ( 2.323 -2.769 7.101) 7.968 35.768 ( -1.996 -0.338 -1.774) 2.692 35.894 ( -2.364 2.687 0.041) 3.579 36.053 ( -3.808 2.040 -5.776) 7.213 36.182 ( 1.229 1.586 -6.135) 6.455 37.809 ( 5.247 -6.851 4.949) 9.948 37.927 ( -11.246 -14.468 1.792) 18.412 ======================= Grid point 166 (81/136) ======================= q-point: ( 0.09 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 7.995 2.588 22.302) 23.832 1.975 ( 1.857 7.561 24.548) 25.753 2.087 ( 7.226 0.972 -11.675) 13.764 2.552 ( -6.851 3.844 -9.111) 12.030 2.713 ( 4.637 -5.374 3.449) 7.892 2.841 ( 8.844 -1.801 4.289) 9.993 3.051 ( 6.360 7.633 15.523) 18.430 3.432 ( 12.516 5.969 0.942) 13.898 3.523 ( -6.599 -6.383 2.965) 9.648 3.874 ( 0.866 -4.543 -6.114) 7.667 4.086 ( 3.449 3.320 2.522) 5.411 4.153 ( 2.987 -6.684 -5.472) 9.140 4.328 ( -3.761 -2.919 3.959) 6.192 4.409 ( -0.353 -0.499 7.526) 7.551 4.585 ( -0.295 0.542 1.850) 1.951 4.621 ( 1.448 11.689 -12.617) 17.261 4.754 ( 1.939 -1.834 1.124) 2.896 4.815 ( 0.165 -5.746 -17.544) 18.461 4.967 ( 0.777 3.706 -7.601) 8.492 5.054 ( -5.623 -0.214 -4.938) 7.487 5.130 ( 3.164 -4.623 2.141) 5.997 5.195 ( 1.407 3.911 -2.528) 4.864 5.336 ( -0.783 1.918 0.766) 2.209 5.427 ( 6.055 6.405 1.402) 8.925 5.604 ( 4.393 0.273 0.463) 4.426 5.655 ( 3.639 -0.589 -2.748) 4.598 5.750 ( 0.527 3.152 3.359) 4.636 5.900 ( -0.693 3.698 -3.083) 4.864 5.935 ( 0.392 5.595 -2.655) 6.205 6.118 ( -3.873 -3.331 6.914) 8.597 6.239 ( 12.144 -2.085 -5.969) 13.691 6.292 ( -3.645 -9.912 5.489) 11.903 6.409 ( 0.033 0.242 -1.042) 1.071 6.582 ( 0.554 0.726 1.042) 1.385 6.705 ( 1.261 -2.800 4.553) 5.491 6.797 ( 5.244 -4.820 -7.547) 10.377 6.848 ( 0.912 -9.516 5.067) 10.819 6.908 ( -1.184 -8.755 -3.636) 9.553 7.044 ( -3.646 -1.700 0.142) 4.025 7.158 ( 1.724 -0.457 -3.243) 3.701 7.370 ( -8.897 0.232 1.606) 9.044 7.495 ( -3.426 -3.077 6.635) 8.076 7.570 ( -2.340 -3.103 1.567) 4.190 7.621 ( 6.441 -7.287 4.541) 10.734 7.686 ( -3.281 0.944 1.863) 3.890 7.798 ( 0.470 0.825 -3.487) 3.614 7.905 ( 2.378 -2.498 5.977) 6.901 8.004 ( -6.989 -1.845 -1.475) 7.378 8.057 ( -0.230 -4.345 -5.021) 6.644 8.187 ( 1.282 -1.818 -0.028) 2.225 8.307 ( -9.017 9.872 0.974) 13.405 8.554 ( 4.841 11.879 3.762) 13.368 8.737 ( -2.268 9.728 1.953) 10.178 8.843 ( -0.135 8.210 -2.190) 8.498 9.247 ( -11.053 -3.048 2.443) 11.723 9.450 ( -3.807 -4.671 -1.853) 6.304 9.626 ( -3.744 -0.715 4.411) 5.830 9.757 ( -8.332 4.672 -1.480) 9.667 9.946 ( 1.910 -3.505 2.605) 4.766 10.114 ( 4.409 1.360 -12.754) 13.563 16.656 ( 1.901 -0.138 -1.136) 2.219 16.715 ( 5.140 2.090 -0.495) 5.570 16.828 ( 0.204 -1.345 3.233) 3.508 16.884 ( -0.731 -0.584 -3.090) 3.228 17.145 ( -1.656 0.298 1.082) 2.000 17.160 ( -1.199 -0.199 0.456) 1.298 17.246 ( -3.654 0.880 1.292) 3.974 17.268 ( -3.329 1.156 -0.364) 3.543 22.556 ( -0.003 -0.286 1.010) 1.050 22.578 ( -0.536 -0.372 -1.530) 1.663 22.807 ( -0.347 0.477 0.434) 0.732 22.817 ( -0.492 0.816 -0.601) 1.127 26.400 ( 0.555 -0.172 0.784) 0.976 26.422 ( 0.422 -0.418 -0.984) 1.149 26.522 ( 0.043 1.294 0.390) 1.352 26.529 ( 0.249 1.007 0.083) 1.041 35.592 ( -2.584 -3.096 -2.206) 4.597 35.746 ( 7.440 3.122 0.828) 8.111 35.760 ( 1.172 -6.396 1.886) 6.770 35.924 ( 2.856 2.650 3.991) 5.578 36.032 ( 8.470 5.390 -1.275) 10.120 36.182 ( 6.074 0.646 -5.395) 8.150 37.795 ( -6.772 -9.432 -0.218) 11.613 37.948 ( 4.528 -7.324 6.902) 11.036 ======================= Grid point 167 (82/136) ======================= q-point: ( 0.18 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 10.088 0.637 -4.475) 11.054 2.073 ( 8.041 8.308 0.822) 11.591 2.341 ( 10.707 2.138 6.279) 12.595 2.414 ( 2.603 4.941 0.151) 5.587 2.744 ( -0.071 -2.265 -0.335) 2.290 3.043 ( 9.329 -1.952 5.073) 10.797 3.333 ( 11.236 -3.522 2.382) 12.013 3.478 ( -3.349 -5.791 4.437) 8.028 3.687 ( 13.205 7.537 3.481) 15.598 3.803 ( -1.939 -4.838 -3.153) 6.092 4.120 ( -5.166 -1.774 -0.950) 5.544 4.154 ( 0.476 0.199 8.191) 8.207 4.321 ( 3.434 8.077 -4.017) 9.652 4.421 ( -2.563 -4.949 -0.796) 5.630 4.514 ( -2.014 0.857 -3.889) 4.463 4.587 ( 1.742 -5.075 -9.433) 10.852 4.735 ( 4.085 4.984 5.003) 8.159 4.847 ( -5.089 -1.260 -0.657) 5.284 4.904 ( 0.054 3.393 5.491) 6.455 4.972 ( 12.295 0.343 -14.946) 19.357 5.189 ( 0.321 -3.032 4.195) 5.186 5.219 ( 2.274 -1.638 1.328) 3.101 5.365 ( 4.771 5.236 -1.290) 7.200 5.505 ( 0.550 3.358 -0.952) 3.534 5.606 ( -2.141 0.227 -2.469) 3.276 5.689 ( 5.955 1.271 -0.876) 6.152 5.818 ( 1.612 -1.327 2.813) 3.503 5.908 ( -0.643 5.032 -1.389) 5.259 6.001 ( 12.616 5.742 1.788) 13.976 6.122 ( -2.275 -2.433 3.560) 4.876 6.280 ( -1.950 -7.137 2.875) 7.938 6.357 ( 3.331 -2.749 -2.923) 5.216 6.417 ( 3.024 2.199 -0.317) 3.752 6.557 ( -1.065 -1.815 -5.973) 6.333 6.702 ( -5.757 0.093 -0.213) 5.762 6.802 ( 2.800 -5.326 -4.630) 7.592 6.829 ( -1.143 -4.191 0.623) 4.388 6.923 ( 0.485 -5.007 2.839) 5.777 7.001 ( 0.734 -3.317 1.536) 3.728 7.203 ( 3.667 -0.790 0.582) 3.796 7.254 ( -3.888 -1.589 2.102) 4.697 7.477 ( -3.804 -1.066 -0.997) 4.074 7.539 ( -4.348 -6.854 -5.165) 9.621 7.587 ( -1.875 -7.829 -0.966) 8.108 7.708 ( -1.178 -0.617 1.665) 2.131 7.852 ( -4.819 -6.995 0.088) 8.495 7.889 ( 4.408 5.891 1.523) 7.514 7.998 ( -2.063 -7.019 -3.507) 8.113 8.032 ( 3.204 3.522 8.389) 9.646 8.143 ( -1.753 6.528 1.227) 6.870 8.303 ( 1.008 -0.117 3.392) 3.540 8.628 ( 1.292 9.944 -0.628) 10.047 8.691 ( -3.586 12.197 -0.061) 12.713 8.796 ( -3.521 4.795 -1.460) 6.126 9.058 ( -11.062 0.479 -1.529) 11.177 9.369 ( -5.372 -3.379 0.858) 6.404 9.573 ( -8.029 1.938 3.525) 8.981 9.616 ( -5.778 3.773 -2.691) 7.407 9.916 ( -3.089 -6.485 -7.486) 10.375 10.108 ( -1.991 0.508 6.397) 6.719 16.684 ( 3.891 -0.802 -2.247) 4.565 16.793 ( 3.093 0.963 -0.105) 3.241 16.805 ( -1.579 -1.107 -2.220) 2.941 16.892 ( 0.771 -0.285 1.956) 2.122 17.127 ( -2.948 1.073 1.575) 3.510 17.144 ( -1.341 -0.098 0.836) 1.584 17.176 ( -2.746 0.217 -1.421) 3.100 17.212 ( -4.667 1.067 1.717) 5.086 22.554 ( -0.580 -0.001 -0.821) 1.005 22.565 ( -0.193 -0.232 0.559) 0.636 22.786 ( -0.790 0.597 -1.182) 1.543 22.815 ( -0.492 0.335 0.651) 0.882 26.418 ( 0.473 -0.219 -0.567) 0.771 26.421 ( 0.892 -0.303 0.518) 1.075 26.524 ( -0.001 0.831 -0.113) 0.838 26.531 ( 0.161 0.911 -0.429) 1.019 35.501 ( -1.725 -1.762 -4.631) 5.246 35.735 ( -0.019 -5.694 -2.428) 6.190 35.921 ( 9.538 3.029 1.201) 10.079 36.000 ( 0.592 2.813 5.609) 6.303 36.239 ( 10.639 -2.773 -6.021) 12.535 36.292 ( 14.651 5.934 6.196) 16.978 37.687 ( -4.649 -6.333 -3.481) 8.593 38.098 ( 3.679 -8.222 8.451) 12.352 ======================= Grid point 168 (83/136) ======================= q-point: ( 0.27 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 13.196 4.229 -12.410) 18.602 2.163 ( 7.943 3.325 -6.661) 10.886 2.509 ( 10.322 3.478 0.394) 10.900 2.601 ( 6.403 4.740 6.658) 10.382 2.751 ( 4.471 0.558 -2.951) 5.386 3.230 ( 7.866 -1.680 0.877) 8.091 3.476 ( 4.179 -7.284 5.208) 9.882 3.528 ( 4.382 -3.141 2.078) 5.778 3.755 ( -5.045 -2.965 3.445) 6.791 3.801 ( 3.308 0.752 -2.589) 4.267 3.979 ( -14.078 3.983 9.588) 17.492 4.251 ( 0.146 -5.718 -5.296) 7.795 4.313 ( 0.624 1.211 -4.152) 4.369 4.424 ( -3.783 1.268 7.062) 8.111 4.457 ( 4.871 3.213 6.777) 8.943 4.590 ( -9.245 4.151 -2.547) 10.449 4.701 ( 15.027 -4.035 -10.067) 18.532 4.870 ( -3.487 -2.412 -2.607) 4.977 4.968 ( 8.416 -1.395 -2.655) 8.934 5.017 ( 0.680 -1.558 2.128) 2.724 5.256 ( 3.915 1.485 -4.134) 5.883 5.340 ( 9.650 -2.062 5.146) 11.129 5.382 ( -2.561 2.652 -3.883) 5.354 5.460 ( 5.590 7.495 0.940) 9.397 5.667 ( 6.763 0.842 -0.034) 6.815 5.748 ( 1.480 -7.098 3.181) 7.917 5.851 ( -0.908 1.483 -4.195) 4.541 5.927 ( 5.245 -0.607 1.844) 5.592 6.103 ( -2.539 1.858 -2.868) 4.257 6.166 ( 3.574 5.488 -2.405) 6.977 6.224 ( -3.907 2.169 1.094) 4.601 6.392 ( 7.721 0.546 2.563) 8.154 6.431 ( -3.007 1.018 -3.528) 4.746 6.506 ( 3.774 -8.639 -0.198) 9.430 6.649 ( -6.469 1.311 6.315) 9.135 6.761 ( 0.730 0.432 -5.759) 5.821 6.859 ( 1.622 -2.905 0.953) 3.461 6.925 ( -0.694 -4.629 1.032) 4.793 7.099 ( 5.080 0.478 1.500) 5.318 7.163 ( -3.576 1.229 3.023) 4.841 7.322 ( -6.650 -3.315 -7.644) 10.660 7.398 ( 8.110 0.041 3.884) 8.992 7.447 ( -0.033 -9.024 -2.642) 9.403 7.554 ( -3.509 -3.998 -2.545) 5.897 7.670 ( -1.774 -4.713 -0.405) 5.052 7.772 ( -3.573 -1.703 0.760) 4.031 7.857 ( -2.622 -1.953 -3.490) 4.783 8.054 ( 3.554 0.124 3.667) 5.108 8.135 ( 1.714 5.015 0.698) 5.345 8.227 ( 3.599 -0.121 7.647) 8.452 8.328 ( 1.402 0.123 -1.232) 1.870 8.583 ( -0.470 5.058 -3.790) 6.338 8.656 ( -0.133 6.772 -0.773) 6.818 8.737 ( -4.210 6.178 3.595) 8.295 8.888 ( -7.781 6.230 -2.925) 10.388 9.296 ( -5.408 -3.795 0.885) 6.665 9.474 ( -6.959 -0.229 1.772) 7.185 9.491 ( -6.689 3.424 -2.754) 8.003 9.749 ( -7.936 -3.424 -5.296) 10.136 10.110 ( -9.618 0.403 9.938) 13.836 16.725 ( 3.917 -1.077 -2.077) 4.562 16.743 ( -1.248 -0.422 -3.293) 3.547 16.825 ( 0.668 0.736 -0.809) 1.281 16.890 ( -2.350 -0.061 -0.019) 2.351 17.072 ( -4.472 0.454 0.955) 4.595 17.131 ( -1.187 0.102 0.141) 1.200 17.162 ( -3.494 -0.093 2.826) 4.494 17.184 ( 1.970 0.320 0.958) 2.214 22.540 ( -0.386 0.457 -0.460) 0.755 22.564 ( -0.293 -0.087 0.068) 0.313 22.766 ( -0.209 0.424 -0.832) 0.957 22.811 ( -0.645 0.011 0.416) 0.767 26.420 ( 0.704 -0.011 -0.505) 0.866 26.443 ( 0.746 -0.565 0.767) 1.210 26.521 ( 0.104 0.341 -0.507) 0.620 26.526 ( -0.003 0.689 -0.646) 0.945 35.462 ( 1.589 -1.422 -2.329) 3.158 35.737 ( 1.546 -5.966 0.830) 6.218 36.060 ( 0.222 2.792 4.141) 4.999 36.062 ( 6.680 3.394 0.425) 7.505 36.335 ( 8.667 -3.621 -3.811) 10.137 36.624 ( 15.347 5.880 8.213) 18.373 37.566 ( -3.553 -4.451 -7.003) 9.027 38.215 ( 0.135 -8.710 6.298) 10.749 ======================= Grid point 169 (84/136) ======================= q-point: ( 0.36 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 9.289 1.445 -11.119) 14.561 2.215 ( 5.251 -3.139 -4.542) 7.619 2.616 ( 10.007 9.597 -9.170) 16.624 2.759 ( 5.016 5.714 3.342) 8.306 2.820 ( 8.645 -0.484 -5.230) 10.116 3.245 ( -2.220 -2.915 -5.361) 6.493 3.534 ( -4.427 -1.773 2.688) 5.474 3.635 ( 7.175 -3.989 0.568) 8.229 3.741 ( -2.904 -1.537 7.610) 8.289 3.897 ( 5.770 -0.966 4.479) 7.369 3.918 ( -10.832 5.886 15.828) 20.062 4.060 ( -10.380 -5.424 -1.252) 11.779 4.340 ( -3.137 2.285 2.378) 4.552 4.417 ( 4.643 -0.704 0.757) 4.756 4.483 ( -0.437 1.924 4.174) 4.617 4.617 ( -1.765 -0.006 6.267) 6.511 4.718 ( -7.980 -4.013 -3.041) 9.436 4.862 ( 9.855 2.469 -4.134) 10.968 5.011 ( 7.934 -0.307 -4.907) 9.334 5.132 ( 10.910 -5.886 -1.327) 12.468 5.193 ( -3.724 -2.490 -3.837) 5.899 5.361 ( 7.416 3.891 -4.966) 9.736 5.483 ( 3.805 5.947 -9.553) 11.879 5.633 ( 3.828 -2.043 4.714) 6.407 5.662 ( 0.401 -3.756 -8.512) 9.312 5.754 ( 0.527 -4.210 -1.526) 4.509 5.855 ( 5.605 -5.772 2.311) 8.371 6.000 ( 1.467 2.347 4.003) 4.867 6.083 ( 2.005 7.008 -4.620) 8.630 6.174 ( -1.131 4.211 3.948) 5.881 6.273 ( 6.105 2.556 1.492) 6.785 6.318 ( -5.999 -0.749 -1.954) 6.354 6.540 ( 4.371 -6.488 1.571) 7.980 6.575 ( -7.502 4.882 1.258) 9.038 6.604 ( 6.692 2.254 2.590) 7.521 6.724 ( -0.009 1.589 -0.581) 1.691 6.895 ( 1.485 -2.948 0.004) 3.301 6.928 ( -0.743 -3.042 2.260) 3.861 7.077 ( -6.116 0.422 -2.052) 6.465 7.144 ( -3.679 -0.713 -5.007) 6.255 7.235 ( 5.077 0.728 1.645) 5.386 7.381 ( -6.759 3.846 0.997) 7.840 7.476 ( 0.703 -2.532 -0.332) 2.649 7.573 ( 6.569 -1.200 0.953) 6.746 7.672 ( 0.923 -10.279 -1.772) 10.471 7.755 ( 0.145 -2.635 1.631) 3.102 7.843 ( 4.340 -4.356 -1.291) 6.283 8.058 ( -3.704 0.202 0.285) 3.721 8.155 ( 0.056 -2.665 -0.706) 2.758 8.286 ( -0.398 1.901 2.062) 2.833 8.385 ( 3.952 6.758 -0.188) 7.831 8.570 ( -0.079 5.328 0.951) 5.413 8.693 ( -1.196 0.219 1.799) 2.172 8.717 ( -1.976 5.069 -3.598) 6.523 8.776 ( 3.082 6.548 2.108) 7.537 9.177 ( -8.102 -5.391 -4.398) 10.679 9.380 ( -3.974 0.625 -0.048) 4.023 9.411 ( -2.275 1.343 2.010) 3.320 9.576 ( -9.239 -0.053 -0.647) 9.262 10.002 ( -14.718 0.346 7.036) 16.317 16.699 ( -0.172 0.192 -2.800) 2.812 16.761 ( 2.779 -0.969 -1.643) 3.371 16.799 ( -0.846 1.011 -3.168) 3.431 16.853 ( -1.648 0.422 0.074) 1.703 17.018 ( -3.690 0.259 1.522) 4.000 17.112 ( -1.206 -0.264 -0.156) 1.245 17.150 ( -1.430 -0.859 2.551) 3.048 17.224 ( 1.047 -0.204 0.681) 1.266 22.532 ( -0.123 0.626 -0.170) 0.660 22.559 ( -0.207 0.051 -0.274) 0.348 22.762 ( 0.318 0.224 -0.262) 0.469 22.804 ( -0.657 -0.154 0.149) 0.691 26.430 ( 0.871 0.040 -0.205) 0.895 26.459 ( 0.158 -0.709 0.822) 1.097 26.517 ( -0.082 0.121 -0.815) 0.828 26.520 ( 0.416 0.310 -0.366) 0.635 35.500 ( 3.616 -1.494 1.246) 4.106 35.799 ( 2.588 -7.316 4.185) 8.817 36.087 ( -1.780 2.324 3.033) 4.215 36.141 ( 3.987 4.426 -1.513) 6.146 36.441 ( 7.200 -4.254 0.138) 8.364 36.928 ( 9.874 7.704 9.310) 15.605 37.439 ( -0.245 -4.481 -9.740) 10.724 38.210 ( -5.367 -7.735 0.178) 9.416 ======================= Grid point 170 (85/136) ======================= q-point: ( 0.45 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 1.797 -5.511 -8.044) 9.915 2.239 ( 2.601 -1.130 -2.701) 3.917 2.597 ( -0.083 10.071 -9.775) 14.035 2.778 ( -2.824 0.697 -6.355) 6.989 2.890 ( 7.636 -1.083 -5.674) 9.575 3.145 ( -2.507 0.503 -5.529) 6.091 3.487 ( -10.721 3.443 10.803) 15.605 3.644 ( 0.075 1.585 2.054) 2.596 3.770 ( 0.409 -3.112 2.483) 4.003 3.941 ( -0.571 0.188 8.202) 8.224 4.020 ( 5.460 -0.194 3.747) 6.625 4.149 ( 6.192 3.464 13.067) 14.870 4.342 ( -4.556 -2.893 5.076) 7.409 4.443 ( -3.932 -5.521 1.672) 6.982 4.531 ( 2.765 -6.463 -5.460) 8.901 4.599 ( 4.187 6.390 1.324) 7.753 4.683 ( -1.440 -5.664 7.312) 9.361 4.944 ( 3.448 5.873 0.668) 6.843 5.085 ( -1.270 -5.605 -4.164) 7.097 5.087 ( 2.584 1.468 -3.486) 4.581 5.319 ( 2.936 0.459 1.102) 3.170 5.341 ( 2.171 -2.475 -6.507) 7.292 5.450 ( 8.442 -1.031 -6.886) 10.943 5.574 ( 3.239 7.567 -9.571) 12.623 5.642 ( -4.552 -2.295 -0.295) 5.106 5.797 ( 3.812 -6.004 0.716) 7.148 5.943 ( -2.515 0.013 -3.135) 4.019 5.980 ( -9.631 7.759 -5.521) 13.543 6.059 ( 2.499 -4.586 1.798) 5.523 6.168 ( 1.159 3.012 -0.288) 3.240 6.197 ( -3.658 2.270 4.160) 5.987 6.392 ( 1.815 0.015 -0.542) 1.894 6.504 ( 3.216 3.735 -3.614) 6.112 6.597 ( 1.412 -7.007 1.246) 7.256 6.646 ( -6.914 -0.486 3.312) 7.682 6.772 ( 1.403 -0.660 -3.229) 3.582 6.834 ( -3.235 -2.804 -3.853) 5.760 6.915 ( -0.850 3.600 -0.004) 3.699 7.081 ( 4.061 2.145 6.803) 8.208 7.130 ( 6.644 2.343 1.957) 7.312 7.323 ( 3.166 0.565 0.827) 3.320 7.339 ( 0.362 1.132 2.024) 2.347 7.498 ( 0.114 -0.147 -0.932) 0.950 7.604 ( -0.512 -4.949 -1.182) 5.114 7.684 ( -0.296 -0.484 3.524) 3.569 7.785 ( 1.346 -0.538 1.361) 1.989 7.896 ( 0.332 -4.418 -1.456) 4.664 8.029 ( -1.060 0.670 -1.117) 1.679 8.137 ( 1.617 -8.476 1.049) 8.692 8.275 ( -3.916 1.028 0.847) 4.137 8.378 ( -3.259 1.128 -0.846) 3.552 8.565 ( -0.693 9.592 -4.011) 10.420 8.634 ( 2.095 3.495 -1.819) 4.462 8.751 ( 4.303 6.326 3.658) 8.480 8.876 ( -2.325 1.598 2.980) 4.103 8.991 ( -3.220 -4.027 -7.803) 9.352 9.367 ( 1.328 -1.819 1.575) 2.748 9.430 ( -6.327 0.078 3.613) 7.287 9.509 ( 8.506 1.004 1.544) 8.703 9.809 ( -14.753 0.371 2.563) 14.979 16.679 ( 0.799 0.564 -2.110) 2.326 16.742 ( -0.873 1.401 -3.278) 3.671 16.790 ( 1.342 -0.994 -0.529) 1.752 16.833 ( -0.207 0.628 -1.200) 1.370 16.991 ( -2.107 0.334 2.223) 3.081 17.090 ( -0.702 -0.835 -0.892) 1.409 17.165 ( -0.184 -1.152 2.394) 2.663 17.230 ( -0.371 -0.204 -0.091) 0.433 22.532 ( 0.222 0.515 0.034) 0.561 22.552 ( -0.239 0.158 -0.413) 0.503 22.769 ( 0.657 0.085 0.149) 0.679 22.794 ( -0.651 -0.149 -0.111) 0.677 26.442 ( 0.666 0.018 0.077) 0.671 26.464 ( -0.555 -0.323 0.607) 0.884 26.508 ( -0.007 -0.476 -0.540) 0.719 26.525 ( 0.547 0.116 -0.353) 0.661 35.591 ( 3.434 -1.943 4.409) 5.917 35.884 ( 1.771 -8.767 3.116) 9.471 36.073 ( -2.675 2.354 2.471) 4.337 36.161 ( 0.800 4.956 -1.764) 5.321 36.567 ( 5.340 -4.961 4.437) 8.533 37.054 ( -2.774 9.844 1.105) 10.287 37.439 ( 10.124 -5.798 -1.875) 11.816 38.051 ( -9.983 -5.543 -6.229) 13.007 ======================= Grid point 171 (86/136) ======================= q-point: (-0.45 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -11.054 -2.972 -1.236) 11.513 2.199 ( -1.910 4.600 -8.737) 10.057 2.532 ( -4.018 -0.697 1.712) 4.423 2.561 ( -7.970 0.057 -5.201) 9.517 2.938 ( -1.571 -1.374 -2.309) 3.112 3.017 ( 0.519 2.015 -9.102) 9.337 3.421 ( -12.344 5.374 13.973) 19.403 3.816 ( 9.445 1.147 7.759) 12.277 3.836 ( 4.087 -1.520 3.159) 5.385 3.959 ( 1.770 -0.568 -5.078) 5.408 4.200 ( 3.334 -2.317 8.770) 9.664 4.242 ( 0.340 -8.604 -3.285) 9.216 4.381 ( 6.475 2.646 8.279) 10.838 4.443 ( -1.729 2.134 -5.654) 6.286 4.529 ( 2.788 -6.293 3.791) 7.858 4.675 ( 1.392 -1.132 4.872) 5.192 4.747 ( -0.508 2.528 0.326) 2.600 4.892 ( -6.248 -7.690 -8.061) 12.773 5.029 ( 4.192 5.541 0.659) 6.979 5.159 ( 4.870 1.478 -0.356) 5.102 5.211 ( -10.370 2.086 -0.905) 10.616 5.318 ( -7.798 3.970 -2.822) 9.195 5.443 ( -5.457 -3.559 1.532) 6.693 5.464 ( -2.953 4.433 -8.967) 10.430 5.674 ( 2.896 5.068 -3.623) 6.870 5.721 ( -3.402 4.081 -5.130) 7.385 5.856 ( 0.870 -3.253 1.244) 3.590 5.933 ( 8.598 -2.949 1.105) 9.157 6.097 ( 1.036 1.446 2.459) 3.034 6.193 ( -5.357 1.452 6.815) 8.789 6.240 ( 3.139 -2.778 -0.350) 4.207 6.309 ( -9.306 -0.845 -3.625) 10.023 6.513 ( 4.339 -2.151 -1.414) 5.045 6.566 ( -4.959 -1.787 -1.882) 5.597 6.591 ( -5.529 -2.022 -2.796) 6.518 6.751 ( 11.312 1.340 -2.912) 11.758 6.833 ( 0.517 -3.087 3.439) 4.650 6.920 ( 1.733 -1.215 -4.921) 5.357 7.169 ( 2.062 3.649 4.879) 6.432 7.266 ( 1.654 0.285 -1.113) 2.014 7.372 ( -3.380 0.173 2.554) 4.240 7.423 ( 2.271 -2.383 1.472) 3.606 7.454 ( 1.577 1.209 2.284) 3.027 7.518 ( -7.387 1.990 -1.237) 7.750 7.779 ( 0.832 -2.629 3.859) 4.743 7.788 ( 0.305 -1.296 2.620) 2.939 7.890 ( 3.000 3.493 0.052) 4.604 7.926 ( -3.651 0.080 -6.387) 7.357 8.150 ( -8.171 -11.932 0.988) 14.495 8.265 ( 4.269 -6.058 3.145) 8.051 8.344 ( -1.294 8.851 0.776) 8.979 8.515 ( 4.507 8.987 -8.636) 13.254 8.672 ( -1.657 1.300 4.615) 5.073 8.749 ( -8.090 4.122 0.523) 9.095 8.876 ( 5.224 4.457 -1.403) 7.009 8.959 ( 4.435 -0.872 -2.374) 5.105 9.378 ( -1.963 -2.081 1.393) 3.182 9.439 ( 3.731 -0.766 1.653) 4.152 9.602 ( -6.742 0.132 0.092) 6.744 9.797 ( 18.126 -0.060 2.501) 18.298 16.674 ( 0.346 0.580 -1.239) 1.411 16.704 ( 0.586 1.966 -2.722) 3.409 16.786 ( -1.252 -0.553 -0.561) 1.480 16.835 ( 2.253 0.150 -1.312) 2.611 16.996 ( -0.595 0.231 2.617) 2.693 17.076 ( 0.426 -0.788 -1.100) 1.419 17.191 ( 0.356 -1.163 2.077) 2.407 17.220 ( -0.486 -0.486 -0.182) 0.711 22.538 ( 0.157 0.238 0.041) 0.288 22.544 ( 0.083 0.408 -0.362) 0.551 22.780 ( -0.634 -0.043 -0.303) 0.704 22.785 ( 0.804 -0.036 0.279) 0.851 26.447 ( -0.835 -0.155 0.181) 0.868 26.459 ( 0.150 0.256 0.299) 0.421 26.506 ( -0.044 -0.889 -0.005) 0.890 26.527 ( 0.160 -0.073 -0.650) 0.673 35.687 ( 1.265 -2.839 5.994) 6.752 35.860 ( -3.489 -3.830 -4.990) 7.194 36.089 ( -2.559 -3.284 5.653) 7.021 36.150 ( 1.202 5.573 -0.343) 5.711 36.677 ( -1.158 -6.646 6.355) 9.268 36.969 ( -0.108 9.497 -5.542) 10.997 37.634 ( 5.644 -7.018 5.823) 10.724 37.794 ( -8.363 -2.007 -8.336) 11.977 ======================= Grid point 172 (87/136) ======================= q-point: (-0.36 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -13.911 7.340 3.588) 16.132 1.994 ( -16.138 4.417 -1.501) 16.799 2.321 ( -8.973 -1.262 -2.729) 9.464 2.628 ( -5.255 -3.438 13.663) 15.037 2.769 ( -8.293 2.582 -1.705) 8.852 3.021 ( 5.435 -1.232 -8.227) 9.937 3.413 ( -5.057 2.924 10.418) 11.944 3.838 ( -2.860 -8.394 -8.026) 11.961 3.938 ( 4.191 2.675 0.192) 4.976 3.979 ( -0.894 -5.382 -2.277) 5.912 4.176 ( -26.175 6.969 2.483) 27.201 4.243 ( 3.759 -9.818 1.338) 10.597 4.402 ( 4.837 -3.164 5.494) 7.974 4.528 ( 5.583 3.317 -4.530) 7.918 4.616 ( 7.215 3.406 3.138) 8.574 4.647 ( 4.045 -3.804 -2.754) 6.198 4.787 ( -3.624 0.153 -3.773) 5.234 4.823 ( 2.102 0.247 12.249) 12.430 5.009 ( -9.878 1.340 -0.746) 9.997 5.061 ( -4.075 2.441 -6.141) 7.763 5.176 ( 8.730 6.657 -9.309) 14.395 5.232 ( 1.226 -3.236 -1.121) 3.638 5.300 ( -3.275 11.127 -2.856) 11.946 5.408 ( -4.612 -5.566 -0.004) 7.228 5.515 ( -8.328 4.954 -5.885) 11.337 5.773 ( 6.379 1.428 1.160) 6.639 5.957 ( 2.396 -1.334 1.832) 3.298 6.034 ( -3.729 0.944 -4.656) 6.039 6.146 ( -6.022 -0.193 7.183) 9.375 6.152 ( 1.194 -1.865 5.482) 5.912 6.194 ( -0.536 -2.399 7.540) 7.931 6.302 ( 7.062 -4.573 -0.375) 8.422 6.418 ( -6.755 -5.986 -5.160) 10.397 6.498 ( -0.065 1.595 1.039) 1.905 6.665 ( 4.950 -1.433 4.641) 6.935 6.837 ( 0.743 -0.834 -6.444) 6.540 6.860 ( -4.289 -0.502 -3.259) 5.411 6.874 ( -0.823 -1.014 4.885) 5.056 7.199 ( -4.164 0.215 -2.069) 4.655 7.221 ( -1.680 1.321 -1.858) 2.832 7.298 ( -0.720 -1.655 -0.363) 1.841 7.386 ( 2.117 1.211 -1.126) 2.686 7.467 ( 0.120 1.601 0.252) 1.625 7.532 ( -3.729 -0.765 -1.499) 4.091 7.699 ( -3.441 -12.447 1.388) 12.988 7.775 ( -3.029 -0.282 -0.536) 3.088 7.887 ( -0.226 2.891 -3.873) 4.838 8.004 ( 4.021 -0.478 5.160) 6.559 8.088 ( -1.749 -4.273 1.405) 4.826 8.297 ( -1.452 5.561 3.098) 6.530 8.319 ( -3.117 8.021 0.906) 8.653 8.552 ( 5.003 7.591 -4.095) 9.971 8.618 ( -3.309 8.678 0.678) 9.312 8.718 ( -3.179 -0.054 3.278) 4.566 8.901 ( 7.155 -5.504 -4.982) 10.311 9.066 ( 6.531 -1.794 1.328) 6.902 9.402 ( 3.206 -1.738 0.389) 3.667 9.435 ( -1.682 0.245 0.056) 1.701 9.647 ( 9.874 3.695 -0.665) 10.563 10.141 ( 20.622 -0.869 1.382) 20.686 16.659 ( -0.217 1.360 -0.887) 1.638 16.709 ( 1.902 1.549 -0.938) 2.626 16.749 ( -2.065 -0.105 -1.198) 2.390 16.866 ( 2.751 -0.334 -0.578) 2.831 17.022 ( 0.559 -0.487 2.196) 2.317 17.087 ( 1.850 0.291 -0.190) 1.882 17.210 ( -0.266 -1.692 0.692) 1.848 17.221 ( 0.802 -0.721 0.532) 1.203 22.534 ( -0.127 0.513 -0.194) 0.563 22.551 ( 0.625 0.341 -0.101) 0.719 22.765 ( -0.715 0.126 -0.404) 0.831 22.802 ( 0.932 -0.190 0.242) 0.982 26.428 ( -1.340 0.149 -0.061) 1.350 26.470 ( 0.195 -0.206 0.734) 0.787 26.504 ( -0.209 -0.630 0.094) 0.670 26.515 ( -0.489 -0.246 -0.994) 1.135 35.712 ( -5.865 -0.718 -7.287) 9.381 35.747 ( -1.532 -4.304 5.496) 7.147 36.057 ( -3.846 2.816 0.523) 4.796 36.209 ( 1.669 -2.534 3.458) 4.601 36.598 ( -9.795 -3.427 -1.772) 10.528 37.014 ( 4.176 6.751 2.864) 8.439 37.436 ( -10.903 -5.824 -11.016) 16.558 37.915 ( 7.104 -7.016 11.045) 14.889 ======================= Grid point 173 (88/136) ======================= q-point: (-0.27 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -14.117 17.983 7.461) 24.049 1.682 ( -25.066 6.873 7.080) 26.939 2.222 ( -4.411 -0.593 4.794) 6.541 2.590 ( -7.165 -4.477 6.579) 10.708 2.730 ( -8.974 -0.510 12.489) 15.387 2.949 ( -6.957 1.818 -7.251) 10.211 3.326 ( -22.125 4.549 1.086) 22.614 3.642 ( -8.364 -7.516 6.221) 12.852 3.815 ( -6.252 -4.287 1.136) 7.665 3.957 ( -2.596 -4.729 -3.591) 6.481 4.035 ( 3.085 2.514 -2.629) 4.769 4.238 ( -1.276 -2.165 -1.800) 3.091 4.479 ( 0.225 5.668 -6.718) 8.793 4.581 ( 3.615 -6.832 -0.103) 7.730 4.622 ( -5.511 -3.300 0.778) 6.470 4.708 ( 4.402 3.773 -10.539) 12.028 4.799 ( 5.324 -0.530 4.175) 6.786 4.890 ( 3.627 -2.027 -5.100) 6.578 4.944 ( 0.328 -1.344 5.391) 5.566 5.059 ( 4.816 2.897 7.603) 9.455 5.117 ( -1.105 3.780 -10.354) 11.078 5.255 ( -6.056 -0.627 -0.946) 6.161 5.289 ( 11.153 5.870 -7.037) 14.435 5.354 ( -1.918 9.350 0.786) 9.577 5.426 ( -0.122 0.076 7.653) 7.654 5.821 ( -7.134 -0.473 -5.152) 8.812 5.857 ( 3.012 -3.551 -2.158) 5.132 5.974 ( -3.766 1.248 -0.202) 3.972 6.161 ( -1.807 -0.686 3.265) 3.795 6.195 ( -6.923 -3.187 7.032) 10.370 6.260 ( -0.232 -1.121 2.836) 3.058 6.358 ( 2.958 -1.680 2.865) 4.447 6.407 ( 0.070 -4.522 -4.101) 6.105 6.560 ( -4.594 2.703 0.498) 5.354 6.608 ( 3.569 -1.225 4.792) 6.099 6.722 ( -3.660 -2.558 -5.314) 6.941 6.865 ( -0.791 -0.682 1.066) 1.492 6.913 ( -0.201 0.580 7.999) 8.023 7.094 ( -2.684 -6.565 -3.808) 8.050 7.168 ( -2.861 -0.365 -3.428) 4.480 7.290 ( 1.107 0.289 -3.231) 3.428 7.349 ( -9.116 -10.686 -2.989) 14.361 7.433 ( -0.446 -2.328 1.917) 3.049 7.534 ( 5.202 -0.047 4.729) 7.031 7.714 ( 2.375 3.020 -1.048) 3.982 7.793 ( 2.297 -6.528 0.104) 6.921 7.802 ( -2.534 4.210 -3.840) 6.236 8.043 ( -3.664 -3.187 1.882) 5.208 8.069 ( -0.159 5.917 1.980) 6.242 8.276 ( -3.394 5.821 1.888) 6.998 8.331 ( -0.469 7.793 0.303) 7.813 8.558 ( 0.292 9.832 2.877) 10.249 8.613 ( 0.298 4.038 0.360) 4.065 8.678 ( -1.950 1.662 -1.705) 3.077 9.021 ( 10.989 -5.577 -3.829) 12.905 9.188 ( 6.338 -6.783 3.649) 9.975 9.432 ( 2.761 0.777 -0.929) 3.015 9.493 ( 5.923 -0.724 0.260) 5.972 9.806 ( 10.502 7.022 -1.880) 12.773 10.452 ( 18.441 0.444 -3.108) 18.706 16.657 ( 0.334 1.564 0.083) 1.601 16.699 ( -2.398 0.065 -1.054) 2.620 16.737 ( 1.646 1.207 0.785) 2.187 16.907 ( 2.938 -0.517 -0.436) 3.015 17.060 ( 1.632 -0.945 1.693) 2.534 17.124 ( 2.289 1.305 0.384) 2.663 17.211 ( -0.444 -2.625 0.339) 2.684 17.239 ( 1.277 -0.560 -0.257) 1.418 22.535 ( 0.503 1.203 0.078) 1.306 22.557 ( 0.317 0.288 -0.311) 0.529 22.751 ( -0.604 0.260 -0.168) 0.679 22.818 ( 0.890 -0.294 0.062) 0.939 26.407 ( -1.210 0.276 0.108) 1.245 26.476 ( -0.395 -0.975 0.252) 1.082 26.493 ( -0.789 -0.137 -0.468) 0.927 26.503 ( -0.136 -0.012 0.188) 0.232 35.544 ( -5.436 -0.106 -6.123) 8.188 35.754 ( -3.248 -5.108 3.192) 6.844 36.000 ( -2.963 4.571 -0.818) 5.509 36.235 ( -1.835 -3.888 -0.323) 4.311 36.397 ( -10.494 -2.244 -2.900) 11.116 36.937 ( -15.605 5.999 -3.543) 17.089 37.334 ( 8.444 -6.998 -1.852) 11.122 38.126 ( 2.975 -14.265 12.097) 18.939 ======================= Grid point 174 (89/136) ======================= q-point: (-0.18 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( -24.772 12.784 7.252) 28.804 1.486 ( -16.623 23.213 17.891) 33.693 2.268 ( -2.636 -2.309 9.723) 10.335 2.520 ( -21.484 0.105 16.240) 26.932 2.646 ( -28.112 3.800 19.880) 34.640 2.726 ( 1.981 -3.056 -0.744) 3.717 3.046 ( -5.081 5.724 -5.935) 9.685 3.654 ( -5.937 -8.994 6.122) 12.394 3.760 ( -1.818 -7.787 -1.981) 8.238 3.865 ( -5.492 -0.519 -0.661) 5.556 3.972 ( 0.593 -5.461 -13.571) 14.641 4.201 ( -1.548 6.474 0.992) 6.729 4.421 ( -4.644 -0.696 6.674) 8.160 4.486 ( -5.962 0.019 -6.399) 8.746 4.640 ( 6.568 -4.699 -8.432) 11.675 4.696 ( 9.559 -1.812 -3.976) 10.511 4.922 ( 4.557 -1.218 -4.835) 6.755 4.942 ( 9.792 -0.043 -6.011) 11.490 4.976 ( -6.381 -2.339 -6.462) 9.378 5.033 ( 1.972 5.587 -0.504) 5.947 5.117 ( 2.143 0.459 4.986) 5.447 5.237 ( 1.863 2.312 5.571) 6.313 5.356 ( -3.501 5.010 8.540) 10.502 5.450 ( 9.168 1.372 -5.179) 10.619 5.547 ( 3.096 3.933 7.988) 9.426 5.648 ( -6.878 -0.019 -1.936) 7.145 5.865 ( 2.111 -0.552 -5.872) 6.264 5.955 ( 0.525 -0.847 4.889) 4.989 6.085 ( -0.872 -3.329 -6.370) 7.240 6.139 ( -10.823 4.107 -2.852) 11.923 6.255 ( -3.338 -1.494 4.751) 5.995 6.268 ( -3.581 -0.878 2.725) 4.585 6.373 ( -2.681 0.481 -3.637) 4.543 6.567 ( 1.152 -6.491 -4.246) 7.841 6.606 ( -0.421 -2.506 -0.890) 2.692 6.799 ( -3.835 2.236 1.939) 4.844 6.824 ( 1.742 -0.637 1.808) 2.590 6.935 ( -3.772 -8.607 3.500) 10.028 7.063 ( -0.315 -5.964 2.537) 6.488 7.127 ( 0.674 -9.620 3.841) 10.380 7.238 ( -1.297 -2.318 0.633) 2.731 7.296 ( 1.946 0.019 -2.369) 3.065 7.432 ( -1.204 -2.381 0.544) 2.723 7.615 ( -2.421 -2.563 -1.274) 3.749 7.685 ( 1.801 3.112 0.622) 3.649 7.808 ( 4.387 2.933 2.521) 5.848 7.872 ( 4.061 -0.143 0.647) 4.114 8.027 ( -2.523 0.066 3.726) 4.500 8.094 ( 0.905 5.611 1.726) 5.940 8.235 ( -2.704 1.933 1.984) 3.871 8.309 ( -0.784 4.557 -0.138) 4.626 8.564 ( -0.887 2.177 -1.362) 2.717 8.642 ( 1.131 5.794 -2.204) 6.301 8.688 ( 3.395 8.352 5.775) 10.706 9.120 ( 6.040 -5.062 -2.769) 8.353 9.349 ( 6.590 -9.135 5.705) 12.626 9.480 ( 4.636 1.629 -1.520) 5.144 9.592 ( 6.001 -0.503 0.201) 6.025 9.923 ( 7.867 9.653 -4.431) 13.218 10.623 ( 11.172 3.371 -11.994) 16.734 16.637 ( -2.285 0.452 -0.711) 2.435 16.687 ( 0.832 0.712 1.301) 1.701 16.775 ( 0.972 0.328 1.764) 2.040 16.948 ( 2.665 -0.702 -0.533) 2.807 17.106 ( 1.845 -0.537 1.441) 2.402 17.158 ( 1.666 1.162 -0.090) 2.033 17.190 ( -1.749 -1.507 -0.664) 2.402 17.265 ( 2.362 -0.474 -0.268) 2.424 22.545 ( 0.525 1.650 -0.851) 1.929 22.565 ( 1.133 0.516 0.892) 1.531 22.745 ( -0.190 0.479 0.403) 0.655 22.831 ( 0.706 -0.262 -0.116) 0.762 26.392 ( -0.882 0.323 0.346) 1.001 26.456 ( -0.964 -1.075 -0.938) 1.722 26.493 ( -0.090 0.064 1.044) 1.050 26.505 ( -0.151 0.339 0.471) 0.600 35.429 ( -2.593 -0.233 -2.694) 3.747 35.715 ( -3.586 -5.004 -0.419) 6.170 35.932 ( -4.257 1.793 -2.936) 5.473 36.084 ( -11.945 1.832 -1.487) 12.175 36.280 ( -3.906 -3.653 -0.073) 5.349 36.603 ( -16.219 3.257 -7.787) 18.284 37.499 ( 9.156 -6.040 2.898) 11.345 38.223 ( -4.855 -22.378 7.001) 23.945 ======================= Grid point 175 (90/136) ======================= q-point: (-0.09 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -15.669 9.776 20.818) 27.829 1.483 ( -10.983 22.600 24.137) 34.843 2.184 ( -20.557 4.991 22.894) 31.171 2.489 ( -13.524 -1.821 8.906) 16.295 2.543 ( -5.664 6.047 23.354) 24.780 2.727 ( 2.151 -6.282 -3.744) 7.623 3.036 ( 7.919 7.203 -4.385) 11.568 3.450 ( -13.600 -3.040 -9.309) 16.759 3.696 ( -8.905 -6.707 6.139) 12.727 3.843 ( 0.165 -2.371 3.328) 4.090 3.899 ( 7.418 -4.532 -10.873) 13.921 4.187 ( 0.366 -6.819 -3.134) 7.513 4.353 ( -5.296 5.841 0.062) 7.885 4.434 ( -3.262 -3.783 4.538) 6.749 4.676 ( 6.561 -1.699 -7.974) 10.465 4.744 ( -4.308 -0.199 -5.637) 7.098 4.817 ( 6.480 -0.483 -6.673) 9.314 4.909 ( 7.442 -1.022 -9.023) 11.741 5.052 ( 7.197 6.597 -5.519) 11.214 5.094 ( 2.411 1.170 2.255) 3.502 5.172 ( -6.091 3.694 -0.756) 7.164 5.257 ( 1.992 -0.155 -0.605) 2.087 5.325 ( -3.762 0.132 -0.057) 3.765 5.511 ( -4.044 0.525 2.275) 4.670 5.529 ( -0.619 -1.454 1.559) 2.220 5.670 ( -0.152 0.798 -1.091) 1.360 5.854 ( 1.758 4.719 -2.251) 5.516 5.918 ( -3.675 -1.354 -4.417) 5.903 5.985 ( 0.655 2.481 -6.278) 6.783 6.113 ( 1.733 4.333 -1.601) 4.934 6.216 ( -4.600 -1.915 1.123) 5.107 6.299 ( 1.431 -6.896 9.921) 12.167 6.332 ( 0.350 -2.288 5.128) 5.626 6.538 ( -1.937 -0.472 -3.794) 4.286 6.585 ( 1.675 -9.159 -1.999) 9.523 6.725 ( -3.620 -0.698 3.429) 5.035 6.783 ( -1.867 -6.533 -3.302) 7.554 6.931 ( -1.805 -6.533 2.995) 7.410 7.097 ( 1.011 -5.331 -2.081) 5.812 7.206 ( 1.724 -1.494 -2.828) 3.634 7.273 ( 1.445 1.037 6.633) 6.867 7.337 ( 2.448 -9.865 4.998) 11.327 7.441 ( 2.448 0.496 3.878) 4.613 7.602 ( -0.641 -0.215 4.062) 4.118 7.741 ( 2.446 -0.862 0.867) 2.734 7.836 ( -4.476 0.188 1.383) 4.688 7.907 ( 0.764 5.940 -0.903) 6.056 8.033 ( -0.186 -6.948 -3.378) 7.728 8.109 ( 0.292 7.053 4.115) 8.171 8.289 ( -0.315 3.167 3.232) 4.536 8.301 ( 3.136 0.259 -1.163) 3.355 8.533 ( -1.116 2.319 -1.244) 2.858 8.674 ( 2.303 3.390 2.304) 4.701 8.802 ( 4.002 10.191 3.136) 11.389 9.196 ( 4.609 -7.090 3.164) 9.029 9.487 ( 3.962 -7.950 3.208) 9.445 9.542 ( 3.865 -0.357 0.047) 3.882 9.695 ( 5.926 -1.182 1.630) 6.259 9.962 ( 5.063 10.519 -7.406) 13.825 10.520 ( -2.485 8.608 -19.538) 21.494 16.605 ( -0.620 0.639 -0.208) 0.914 16.725 ( 1.000 -0.183 2.917) 3.089 16.770 ( -2.644 -0.163 -1.150) 2.888 16.964 ( 0.408 -1.499 -1.957) 2.499 17.148 ( 1.184 0.280 1.192) 1.703 17.163 ( -0.026 -0.048 0.510) 0.513 17.191 ( 2.179 1.899 0.606) 2.953 17.301 ( 1.698 -0.028 0.203) 1.710 22.541 ( -0.006 0.783 -0.129) 0.794 22.598 ( 1.899 0.271 -0.558) 1.998 22.759 ( 0.909 1.052 1.262) 1.878 22.838 ( 0.366 0.012 -0.340) 0.499 26.386 ( -0.519 0.205 0.585) 0.808 26.436 ( -0.329 -0.906 -0.854) 1.288 26.504 ( 0.015 0.907 1.030) 1.372 26.511 ( 0.161 0.484 0.756) 0.912 35.414 ( 1.129 -0.483 1.998) 2.345 35.622 ( -6.777 -2.844 1.441) 7.489 35.815 ( -5.636 -1.103 1.274) 5.882 35.956 ( -4.945 5.335 0.472) 7.290 36.201 ( -5.586 -2.376 -2.298) 6.491 36.301 ( -8.552 2.688 -8.907) 12.637 37.666 ( 7.034 -6.446 3.941) 10.322 38.112 ( -13.209 -21.750 2.293) 25.550 ======================= Grid point 176 (91/136) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 1.669 15.062 19.146) 24.417 1.904 ( -10.725 12.397 26.239) 30.939 2.225 ( -1.618 0.010 -3.799) 4.129 2.433 ( -1.468 -3.961 10.737) 11.538 2.625 ( 1.618 -1.680 1.711) 2.893 2.871 ( 0.623 5.856 5.776) 8.249 3.158 ( -5.368 6.803 -5.970) 10.523 3.272 ( 10.826 -0.275 -5.000) 11.928 3.515 ( -5.605 -1.500 5.774) 8.186 3.819 ( 2.984 -3.376 -3.697) 5.828 3.925 ( 3.755 -10.679 -1.147) 11.378 4.041 ( 3.857 1.715 2.250) 4.784 4.307 ( -4.510 -1.103 3.330) 5.714 4.348 ( -3.454 -2.560 5.922) 7.318 4.555 ( 1.217 -2.791 -6.435) 7.119 4.658 ( 3.300 -1.429 -10.456) 11.057 4.871 ( 0.139 0.866 -7.409) 7.460 5.005 ( 0.933 -1.043 0.698) 1.564 5.048 ( 2.359 3.828 6.865) 8.207 5.163 ( -3.116 -0.955 -4.582) 5.623 5.202 ( -1.975 10.930 -6.665) 12.953 5.300 ( 2.335 7.501 -7.845) 11.103 5.366 ( -0.959 3.094 1.735) 3.675 5.483 ( -0.907 4.752 -0.458) 4.860 5.563 ( 0.788 3.112 3.620) 4.839 5.641 ( 2.228 1.677 -2.402) 3.680 5.807 ( -3.056 0.868 -0.718) 3.257 5.888 ( -3.115 -5.766 7.727) 10.132 6.004 ( -5.609 -10.466 1.513) 11.970 6.106 ( 4.970 3.006 -4.468) 7.328 6.161 ( -6.127 -0.824 2.919) 6.837 6.214 ( 2.702 2.270 -2.648) 4.412 6.302 ( -0.362 -8.624 -0.324) 8.638 6.396 ( 3.202 -6.507 5.075) 8.851 6.525 ( 5.037 -4.998 1.959) 7.361 6.643 ( 7.108 -7.446 -5.379) 11.615 6.751 ( -1.221 1.863 0.721) 2.341 6.856 ( -0.540 0.190 -2.654) 2.715 6.962 ( 2.488 -10.261 4.004) 11.292 7.144 ( 0.587 -7.302 -2.439) 7.721 7.250 ( -0.038 2.459 -3.774) 4.505 7.389 ( -1.953 1.444 7.694) 8.068 7.478 ( -5.159 -13.739 -6.934) 16.231 7.585 ( 2.957 -1.811 2.315) 4.169 7.735 ( -4.573 -1.407 5.566) 7.340 7.757 ( -2.735 -1.865 0.496) 3.347 7.867 ( 3.412 3.369 -0.516) 4.822 7.974 ( -1.648 -2.850 -2.940) 4.414 8.200 ( 0.826 6.245 -0.543) 6.322 8.292 ( -1.635 11.373 0.156) 11.491 8.582 ( 7.160 5.758 6.413) 11.205 8.654 ( -7.205 9.705 1.084) 12.136 8.814 ( 0.337 5.111 5.389) 7.435 9.002 ( 0.043 4.784 -1.371) 4.976 9.157 ( 3.625 -8.679 5.534) 10.913 9.381 ( -5.225 -10.384 -2.801) 11.957 9.502 ( 1.647 -1.180 11.462) 11.640 9.740 ( 3.369 -4.567 6.734) 8.806 10.107 ( -0.728 9.490 -13.278) 16.337 10.377 ( -2.423 3.485 -23.898) 24.272 16.645 ( 1.631 1.444 1.221) 2.497 16.724 ( -0.099 0.405 -0.478) 0.635 16.768 ( 0.633 0.407 0.990) 1.244 16.898 ( -0.314 -2.133 -3.015) 3.706 17.159 ( -0.746 0.232 0.697) 1.047 17.168 ( -0.522 -0.018 0.329) 0.617 17.280 ( 0.439 1.605 2.083) 2.666 17.318 ( -0.634 0.266 0.583) 0.901 22.548 ( -0.105 0.246 0.061) 0.274 22.586 ( -0.015 -0.907 -1.573) 1.816 22.812 ( 0.575 1.102 0.862) 1.513 22.840 ( 0.100 0.197 -0.379) 0.438 26.390 ( -0.067 0.154 0.389) 0.424 26.414 ( 0.274 -0.626 -0.642) 0.937 26.539 ( 0.237 1.006 1.036) 1.463 26.541 ( 0.365 0.939 1.047) 1.453 35.505 ( 4.009 -0.072 5.957) 7.181 35.578 ( 0.518 -2.862 5.940) 6.614 35.779 ( -0.870 1.451 -0.479) 1.758 35.915 ( -0.690 -0.909 -4.898) 5.030 36.111 ( -4.094 4.266 -0.188) 5.916 36.226 ( -0.253 2.282 -4.136) 4.731 37.627 ( 0.051 -10.279 5.427) 11.624 37.683 ( -2.276 -9.773 2.754) 10.406 ======================= Grid point 177 (92/136) ======================= q-point: ( 0.09 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 5.472 8.498 18.425) 21.015 2.109 ( 7.010 5.691 13.158) 15.958 2.167 ( 2.875 6.105 -1.671) 6.952 2.504 ( -4.518 -6.256 7.593) 10.826 2.716 ( 3.244 1.166 2.415) 4.209 2.839 ( 7.865 3.809 -10.383) 13.571 3.172 ( 5.264 3.984 2.421) 7.031 3.351 ( 2.842 -7.124 -2.496) 8.066 3.600 ( 7.280 8.049 7.435) 13.155 3.772 ( 0.060 -6.025 -6.023) 8.520 3.968 ( 2.166 -9.125 -1.077) 9.440 4.091 ( 2.942 -4.234 -3.860) 6.440 4.280 ( -4.633 -5.800 6.142) 9.635 4.459 ( 6.001 -3.438 2.872) 7.489 4.559 ( -0.084 -0.328 -4.312) 4.325 4.623 ( -1.353 6.943 11.375) 13.395 4.723 ( -2.198 -2.049 -8.231) 8.763 4.983 ( -1.121 12.034 -12.690) 17.525 5.041 ( -1.133 3.782 -5.047) 6.408 5.078 ( -1.124 1.241 1.881) 2.518 5.158 ( -0.345 12.618 -5.595) 13.807 5.251 ( 0.275 1.613 -0.241) 1.654 5.379 ( 0.335 2.659 3.203) 4.176 5.527 ( 4.547 2.977 -0.927) 5.513 5.611 ( 5.330 0.147 -0.967) 5.419 5.701 ( 4.461 5.136 -1.692) 7.010 5.826 ( 0.975 4.253 5.752) 7.220 5.907 ( -2.691 -7.409 5.202) 9.444 5.951 ( -0.845 -4.580 -1.717) 4.964 6.038 ( -8.038 -6.238 3.182) 10.661 6.184 ( 4.057 6.945 0.720) 8.076 6.219 ( 6.292 0.863 -6.108) 8.811 6.359 ( 2.507 -13.298 2.291) 13.725 6.488 ( 6.090 0.236 3.625) 7.090 6.576 ( -1.162 -10.411 -0.462) 10.486 6.705 ( 7.570 -5.302 -4.173) 10.141 6.762 ( -2.954 0.181 -5.397) 6.155 6.826 ( 3.586 -2.787 0.772) 4.607 7.021 ( -0.464 -4.363 2.084) 4.857 7.127 ( 0.274 -4.499 -2.093) 4.970 7.230 ( -4.846 -7.534 0.730) 8.988 7.303 ( -0.645 -14.699 -4.244) 15.313 7.450 ( -1.356 -0.677 6.887) 7.052 7.578 ( -4.089 -1.048 -2.188) 4.754 7.710 ( -3.698 -0.173 1.687) 4.068 7.748 ( -0.538 -2.919 5.458) 6.213 7.887 ( -2.815 -2.650 -4.533) 5.957 7.945 ( 3.549 -0.474 1.163) 3.765 8.225 ( -3.233 14.372 -3.563) 15.156 8.255 ( 2.144 9.319 4.000) 10.365 8.521 ( -8.273 10.129 0.058) 13.078 8.739 ( 4.727 6.753 2.787) 8.701 8.878 ( -0.308 4.782 5.860) 7.570 8.955 ( -2.916 2.610 -2.681) 4.743 9.146 ( -9.783 -6.787 -0.620) 11.923 9.319 ( 0.547 -9.238 0.722) 9.283 9.637 ( -1.021 2.473 12.059) 12.353 9.818 ( -6.315 0.309 5.940) 8.675 9.933 ( -2.919 3.299 -9.861) 10.800 10.126 ( 0.544 -0.293 -16.728) 16.740 16.667 ( 0.548 1.280 -0.445) 1.462 16.751 ( 4.517 1.437 -0.757) 4.800 16.798 ( -0.171 -1.477 1.784) 2.323 16.865 ( 0.652 -1.303 -2.458) 2.858 17.151 ( -1.284 0.297 1.113) 1.725 17.158 ( -1.351 -0.051 0.727) 1.536 17.267 ( -3.912 1.187 0.621) 4.135 17.288 ( -3.309 0.824 0.456) 3.440 22.551 ( -0.026 -0.138 0.596) 0.612 22.568 ( -0.254 -0.568 -1.155) 1.312 22.819 ( -0.575 0.704 0.292) 0.955 22.831 ( -0.497 0.544 -0.454) 0.866 26.398 ( 0.551 -0.007 0.449) 0.711 26.413 ( 0.523 -0.425 -0.661) 0.944 26.548 ( -0.132 1.155 0.356) 1.215 26.551 ( 0.036 1.054 0.283) 1.092 35.545 ( -3.226 -1.533 -0.311) 3.585 35.653 ( -0.788 -4.770 2.301) 5.354 35.801 ( 6.522 2.866 1.386) 7.257 35.967 ( 10.110 0.258 -1.381) 10.207 36.100 ( 3.422 3.555 -0.392) 4.950 36.227 ( 4.400 3.067 -1.090) 5.473 37.610 ( -3.369 -8.237 1.423) 9.012 37.769 ( 4.864 -10.291 4.080) 12.092 ======================= Grid point 178 (93/136) ======================= q-point: ( 0.18 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 8.214 4.647 0.185) 9.439 2.246 ( 8.570 7.753 -0.596) 11.572 2.417 ( 10.555 4.855 9.753) 15.169 2.482 ( -1.287 0.940 4.499) 4.773 2.743 ( 7.019 5.050 -6.308) 10.703 3.002 ( 9.179 -2.529 6.114) 11.315 3.305 ( 12.941 -2.569 -5.339) 14.233 3.342 ( -3.347 -4.460 2.887) 6.279 3.697 ( -0.322 -4.820 -2.195) 5.305 3.750 ( 3.112 -5.915 -4.130) 7.857 4.067 ( 6.951 -0.030 2.745) 7.474 4.105 ( 1.414 -2.342 1.986) 3.381 4.288 ( -0.827 -6.222 3.788) 7.331 4.427 ( -0.610 -7.819 -6.411) 10.130 4.457 ( -6.330 -1.419 -2.343) 6.897 4.681 ( 2.349 13.020 -0.468) 13.238 4.765 ( -1.240 -0.237 -2.329) 2.649 4.923 ( -1.322 5.668 8.487) 10.291 5.002 ( 4.673 4.507 -9.767) 11.728 5.055 ( 2.864 13.379 -0.687) 13.699 5.127 ( -2.590 -0.376 5.907) 6.461 5.253 ( -0.453 3.517 0.800) 3.636 5.467 ( 7.204 4.774 1.202) 8.725 5.557 ( 1.626 -1.428 -1.023) 2.393 5.629 ( -3.393 4.655 -7.810) 9.704 5.722 ( 5.103 2.090 -1.205) 5.645 5.814 ( -5.550 0.399 -0.045) 5.565 5.895 ( -3.731 -4.853 4.411) 7.545 6.053 ( 6.785 -4.341 5.436) 9.718 6.085 ( 8.184 -4.663 5.486) 10.901 6.235 ( 6.214 7.832 -3.554) 10.611 6.301 ( 6.166 -0.725 -0.603) 6.238 6.400 ( -0.213 -6.247 -2.281) 6.654 6.521 ( -5.182 -5.282 -7.189) 10.317 6.550 ( 0.366 -9.231 -0.580) 9.257 6.672 ( 7.783 -2.900 -3.846) 9.153 6.821 ( 5.112 0.486 0.712) 5.184 6.915 ( 7.229 -3.323 2.315) 8.286 6.977 ( -6.674 2.238 2.404) 7.438 7.119 ( 0.758 -9.190 -6.161) 11.090 7.158 ( -0.100 -6.502 3.786) 7.524 7.301 ( -3.267 -11.837 2.023) 12.445 7.453 ( -3.275 -1.434 -2.476) 4.349 7.492 ( -2.911 -0.934 -1.167) 3.273 7.698 ( -0.009 0.837 3.634) 3.729 7.796 ( -0.726 -3.123 -1.704) 3.631 7.840 ( 0.037 -1.395 7.463) 7.592 7.973 ( -1.801 -3.111 -0.613) 3.647 8.152 ( -1.814 9.309 -0.920) 9.529 8.288 ( -2.237 7.775 0.718) 8.122 8.444 ( -0.485 11.230 0.248) 11.243 8.760 ( -2.353 5.063 -2.570) 6.146 8.869 ( -7.786 2.903 3.935) 9.195 8.911 ( -0.571 7.873 -2.295) 8.220 8.991 ( -4.058 -6.485 -1.099) 7.729 9.313 ( -3.301 -3.136 1.324) 4.742 9.607 ( -10.153 1.518 -1.986) 10.456 9.732 ( -5.473 6.029 -4.741) 9.422 9.786 ( -5.110 -4.403 0.907) 6.806 10.096 ( -1.327 -1.915 5.973) 6.411 16.679 ( 2.174 0.393 -1.222) 2.525 16.774 ( -1.540 -1.835 -1.545) 2.851 16.816 ( 3.319 1.155 -0.703) 3.584 16.882 ( 1.297 -0.826 0.588) 1.646 17.141 ( -2.384 0.305 1.536) 2.852 17.149 ( -0.960 0.507 1.850) 2.145 17.189 ( -3.995 1.015 -1.539) 4.400 17.227 ( -4.777 0.435 0.659) 4.842 22.554 ( -0.252 -0.044 -0.178) 0.312 22.560 ( -0.013 -0.280 0.279) 0.395 22.800 ( -0.974 0.809 -0.880) 1.542 22.821 ( -0.749 0.222 0.223) 0.812 26.414 ( 0.661 -0.174 0.135) 0.696 26.417 ( 0.771 -0.179 -0.189) 0.814 26.542 ( -0.420 0.927 -0.427) 1.104 26.549 ( -0.138 0.809 -0.465) 0.943 35.473 ( -2.161 -0.857 -2.840) 3.670 35.623 ( -1.688 -5.533 -0.627) 5.819 35.952 ( 4.945 1.166 5.091) 7.192 36.105 ( 7.901 4.823 -0.027) 9.257 36.180 ( 6.639 -1.088 -2.660) 7.235 36.397 ( 15.855 3.776 2.548) 16.497 37.564 ( -1.767 -5.008 -2.655) 5.937 37.896 ( 4.648 -11.933 4.909) 13.715 ======================= Grid point 179 (94/136) ======================= q-point: ( 0.27 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 8.069 2.421 -8.788) 12.174 2.262 ( -0.184 3.692 -4.982) 6.203 2.613 ( 11.428 6.671 2.889) 13.544 2.692 ( 10.531 5.909 6.137) 13.546 2.813 ( 8.649 6.504 -4.926) 11.890 3.176 ( 6.652 -3.961 -0.694) 7.773 3.357 ( 3.124 -5.479 4.241) 7.600 3.465 ( 12.475 -2.160 -4.351) 13.387 3.698 ( -2.592 -4.533 2.388) 5.741 3.714 ( 1.890 -7.207 -1.911) 7.692 4.085 ( -6.809 2.980 8.334) 11.167 4.101 ( -4.475 -6.812 -3.545) 8.888 4.319 ( -0.209 -3.475 -1.060) 3.640 4.356 ( -6.430 -3.937 1.883) 7.771 4.487 ( 5.715 0.804 8.642) 10.392 4.650 ( -9.631 2.023 1.820) 10.008 4.775 ( 18.069 9.762 -10.642) 23.131 4.859 ( -5.365 0.750 -1.816) 5.713 5.014 ( -4.081 2.753 -1.278) 5.086 5.036 ( -2.354 6.576 -1.248) 7.095 5.273 ( 8.380 -1.119 10.789) 13.707 5.307 ( 4.585 1.425 -2.559) 5.441 5.466 ( -3.757 4.789 -6.028) 8.567 5.552 ( 2.642 -1.878 -0.531) 3.285 5.640 ( 3.918 -2.829 0.489) 4.857 5.673 ( -1.290 3.350 -0.668) 3.652 5.839 ( -0.740 -0.254 -3.513) 3.599 5.894 ( 5.506 -2.371 1.826) 6.267 6.163 ( 1.801 -9.795 2.581) 10.288 6.249 ( 1.983 2.856 3.320) 4.807 6.254 ( 0.018 2.814 -7.234) 7.762 6.326 ( 3.537 5.128 -1.070) 6.321 6.424 ( 3.638 -4.454 -1.141) 5.863 6.473 ( 10.636 3.105 -0.191) 11.082 6.580 ( 1.874 -6.206 1.453) 6.644 6.733 ( 2.099 -1.497 -3.604) 4.432 6.876 ( 1.465 2.622 1.508) 3.361 6.910 ( -3.885 0.818 1.848) 4.379 7.069 ( 1.821 -7.480 -3.504) 8.458 7.111 ( 11.293 -12.480 -1.177) 16.872 7.173 ( -2.895 -2.208 4.417) 5.724 7.282 ( -4.052 -0.965 -5.741) 7.093 7.368 ( 3.825 -2.497 2.410) 5.165 7.470 ( -0.232 -2.476 0.989) 2.676 7.715 ( -2.418 2.796 -0.501) 3.731 7.780 ( -1.024 2.145 2.468) 3.427 7.859 ( -4.199 0.413 -3.122) 5.248 7.978 ( 1.779 -4.325 7.630) 8.949 8.125 ( -3.369 -3.149 -0.512) 4.640 8.255 ( -1.226 3.843 2.722) 4.866 8.472 ( 4.170 8.365 -1.722) 9.504 8.697 ( -3.760 6.830 0.898) 7.848 8.744 ( -7.629 1.063 -0.049) 7.703 8.862 ( -2.447 5.088 -0.986) 5.731 8.965 ( -0.176 3.344 -2.401) 4.120 9.243 ( -5.064 -0.677 -2.126) 5.533 9.440 ( -7.582 -2.807 -1.382) 8.203 9.517 ( -6.513 -4.609 -8.826) 11.898 9.753 ( -9.069 6.462 7.395) 13.368 10.103 ( -9.058 -1.460 9.424) 13.153 16.707 ( 2.593 -0.562 -0.965) 2.824 16.734 ( -0.735 -0.615 -2.045) 2.259 16.840 ( 1.154 0.828 -1.466) 2.041 16.886 ( -1.199 -0.419 -0.154) 1.280 17.087 ( -4.939 1.110 0.712) 5.112 17.135 ( -1.836 0.321 0.715) 1.997 17.157 ( -3.399 -0.363 1.324) 3.666 17.185 ( 1.444 -0.302 0.060) 1.477 22.549 ( -0.203 0.423 -0.040) 0.471 22.562 ( -0.143 -0.146 0.211) 0.294 22.778 ( -0.505 0.750 -0.816) 1.218 22.810 ( -0.784 -0.156 0.101) 0.806 26.421 ( 0.629 0.044 -0.206) 0.663 26.434 ( 0.742 -0.389 0.419) 0.937 26.529 ( -0.229 0.473 -0.864) 1.012 26.538 ( -0.224 0.440 -0.909) 1.034 35.440 ( 0.678 -0.635 -0.861) 1.267 35.612 ( 0.032 -6.426 1.194) 6.536 36.045 ( -0.819 -0.102 7.062) 7.110 36.236 ( 8.386 5.470 -0.301) 10.017 36.251 ( 6.761 0.203 -4.140) 7.930 36.717 ( 17.957 2.043 4.349) 18.588 37.490 ( -1.463 -1.752 -6.640) 7.021 38.000 ( 2.115 -12.794 3.527) 13.439 ======================= Grid point 180 (95/136) ======================= q-point: ( 0.36 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 2.044 -2.121 -9.902) 10.330 2.207 ( 0.267 -1.275 -4.393) 4.582 2.798 ( 12.816 9.452 -8.699) 18.145 2.860 ( 8.590 5.639 -1.707) 10.417 2.902 ( 2.262 7.952 -0.341) 8.274 3.184 ( 1.551 -3.542 -6.460) 7.528 3.483 ( 5.169 -3.404 -0.830) 6.245 3.580 ( 9.843 0.141 -3.492) 10.445 3.706 ( 0.517 -3.146 6.657) 7.381 3.827 ( 5.217 -4.233 4.347) 8.002 3.954 ( -5.833 -4.151 0.372) 7.169 4.083 ( -9.642 6.980 15.643) 19.657 4.281 ( -2.480 -10.386 2.029) 10.869 4.344 ( 1.723 -4.780 2.394) 5.617 4.520 ( -11.815 1.239 2.884) 12.225 4.603 ( -1.644 2.628 0.784) 3.198 4.747 ( -5.383 6.570 2.752) 8.928 4.886 ( 1.059 -2.997 2.953) 4.339 5.000 ( 1.042 -2.118 0.745) 2.475 5.097 ( 15.821 5.362 -5.891) 17.713 5.228 ( -3.392 4.293 -3.205) 6.341 5.428 ( 1.969 2.769 -1.891) 3.888 5.476 ( -0.303 -8.669 -4.462) 9.755 5.548 ( -0.766 -3.405 2.021) 4.033 5.613 ( 1.979 -0.778 0.387) 2.161 5.719 ( 7.608 2.341 -6.224) 10.104 5.845 ( 5.694 3.755 -0.227) 6.824 5.996 ( 4.375 -2.457 -0.210) 5.022 6.198 ( 5.068 -2.709 -2.468) 6.254 6.242 ( -0.906 2.320 -0.749) 2.601 6.270 ( -4.310 1.366 -1.899) 4.904 6.332 ( 4.657 1.377 -0.619) 4.895 6.445 ( 0.358 0.677 -1.296) 1.505 6.576 ( -1.102 -2.990 5.463) 6.324 6.665 ( -1.515 1.682 -6.021) 6.432 6.770 ( 11.413 -0.670 2.034) 11.612 6.851 ( -1.871 -2.093 -2.509) 3.765 6.929 ( 2.977 3.171 3.412) 5.528 7.086 ( -4.417 -4.058 -5.099) 7.873 7.102 ( 0.894 -1.373 0.759) 1.805 7.150 ( 1.963 -4.003 -0.899) 4.548 7.356 ( 11.104 -2.862 1.406) 11.553 7.463 ( 2.775 0.990 1.032) 3.122 7.542 ( 4.567 -4.047 4.931) 7.845 7.591 ( -8.054 5.399 -3.848) 10.432 7.776 ( 0.399 0.074 -0.016) 0.406 7.831 ( 0.249 3.476 1.892) 3.965 8.030 ( -5.031 -2.574 0.036) 5.651 8.059 ( 0.525 -5.206 2.510) 5.804 8.320 ( -0.262 -0.673 5.779) 5.824 8.491 ( -3.878 4.144 -1.852) 5.970 8.591 ( -3.366 -3.056 2.029) 4.979 8.742 ( 2.996 6.353 0.158) 7.026 8.820 ( -1.191 4.062 -0.214) 4.239 8.923 ( 0.057 6.877 -4.086) 7.999 9.097 ( -6.321 -1.117 -6.855) 9.391 9.328 ( -4.239 -4.660 -0.054) 6.300 9.428 ( 1.241 -2.365 -0.699) 2.761 9.641 ( -12.651 7.626 5.024) 15.603 9.996 ( -14.421 -1.386 6.381) 15.830 16.705 ( -0.009 0.429 -1.572) 1.630 16.742 ( 2.264 -0.905 -0.646) 2.522 16.821 ( -0.759 1.153 -2.616) 2.958 16.860 ( -0.925 0.128 -0.745) 1.194 17.028 ( -3.465 0.758 1.013) 3.688 17.101 ( -3.154 -1.020 1.274) 3.551 17.140 ( -0.273 0.075 0.353) 0.452 17.212 ( 1.150 -1.081 -0.093) 1.581 22.545 ( -0.210 0.661 0.045) 0.695 22.560 ( -0.140 0.036 -0.128) 0.193 22.769 ( 0.103 0.492 -0.359) 0.618 22.799 ( -0.625 -0.334 -0.034) 0.710 26.431 ( 0.706 0.075 0.069) 0.713 26.447 ( 0.305 -0.485 0.581) 0.816 26.518 ( -0.035 0.058 -1.103) 1.105 26.526 ( 0.049 0.109 -0.837) 0.845 35.474 ( 2.392 -0.946 2.398) 3.517 35.648 ( 1.125 -7.599 3.497) 8.440 36.085 ( -3.294 0.045 6.965) 7.705 36.301 ( 6.350 2.945 -6.546) 9.584 36.362 ( 5.432 3.255 3.271) 7.127 37.036 ( 15.009 -0.612 5.456) 15.982 37.377 ( -1.517 1.778 -10.051) 10.319 38.017 ( -2.515 -11.694 -0.310) 11.966 ======================= Grid point 181 (96/136) ======================= q-point: ( 0.45 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -1.247 -3.194 -4.370) 5.554 2.194 ( 2.584 -4.747 -2.228) 5.846 2.777 ( -8.002 5.476 -10.326) 14.165 2.812 ( -2.169 4.062 -12.436) 13.261 2.905 ( 5.211 4.181 -3.415) 7.503 3.163 ( 3.343 1.515 -7.395) 8.256 3.556 ( 2.267 3.364 3.685) 5.480 3.695 ( 4.195 3.154 2.493) 5.811 3.748 ( 0.358 1.478 3.780) 4.074 3.915 ( 0.941 -3.786 8.011) 8.911 4.001 ( 4.110 -0.666 0.954) 4.272 4.178 ( 5.055 -0.587 10.297) 11.486 4.269 ( -10.522 -9.955 -7.631) 16.372 4.345 ( -1.067 -5.230 7.937) 9.565 4.448 ( 4.100 2.202 7.557) 8.876 4.521 ( -4.820 -3.178 1.451) 5.953 4.764 ( -0.518 6.409 5.367) 8.375 4.979 ( 1.621 -4.794 3.674) 6.253 5.013 ( -1.896 -1.173 0.012) 2.230 5.100 ( -0.031 -0.164 -0.543) 0.568 5.324 ( 0.427 -3.599 -3.159) 4.808 5.338 ( 1.923 1.475 -1.082) 2.654 5.436 ( 1.655 2.253 -2.330) 3.639 5.586 ( -2.390 -3.875 8.418) 9.570 5.670 ( 5.382 1.878 -3.456) 6.666 5.741 ( 5.610 4.963 -7.294) 10.455 5.940 ( -1.423 0.343 -3.506) 3.799 6.042 ( 6.868 2.069 -1.341) 7.298 6.105 ( -8.078 4.037 -5.903) 10.789 6.220 ( -2.073 1.976 2.318) 3.684 6.267 ( 7.514 4.497 -8.206) 12.000 6.373 ( 1.141 -2.132 -0.654) 2.505 6.412 ( -2.700 -9.041 2.446) 9.748 6.595 ( -0.544 4.247 -6.224) 7.555 6.627 ( -0.654 -1.205 5.564) 5.730 6.741 ( -3.336 -3.208 -3.393) 5.739 6.813 ( -3.765 -0.956 -3.961) 5.548 6.910 ( -1.768 -4.416 -7.610) 8.974 7.127 ( 3.046 0.870 3.342) 4.604 7.179 ( 9.585 1.620 6.184) 11.521 7.286 ( 7.695 0.140 3.978) 8.663 7.403 ( -4.062 5.275 -1.876) 6.917 7.487 ( 0.341 -3.793 0.165) 3.812 7.532 ( 1.155 1.108 2.297) 2.800 7.663 ( 5.573 0.755 1.814) 5.910 7.821 ( 4.000 -1.446 0.829) 4.334 7.870 ( 1.232 4.461 3.245) 5.653 7.976 ( -0.769 -5.357 0.894) 5.486 8.073 ( -2.206 0.257 1.634) 2.757 8.177 ( -15.856 -7.454 -3.974) 17.966 8.471 ( 1.878 4.471 2.463) 5.439 8.610 ( -0.906 -0.438 3.719) 3.853 8.779 ( 4.014 6.367 -6.982) 10.267 8.833 ( 1.233 -0.458 1.233) 1.803 8.867 ( -4.611 -0.554 0.801) 4.713 8.989 ( 1.973 4.412 -4.782) 6.799 9.326 ( 3.280 -1.657 1.611) 4.012 9.474 ( -8.788 3.189 0.684) 9.374 9.518 ( 5.551 1.139 3.609) 6.719 9.802 ( -13.901 -1.430 2.005) 14.117 16.696 ( 0.467 1.167 -0.995) 1.603 16.767 ( 1.332 -0.607 -0.525) 1.555 16.778 ( -0.998 1.356 -2.136) 2.720 16.840 ( 0.194 0.064 -1.819) 1.830 17.001 ( -1.758 0.686 1.806) 2.612 17.069 ( -1.863 -1.295 0.440) 2.311 17.148 ( 0.457 -0.386 0.810) 1.007 17.216 ( 0.090 -1.296 -0.891) 1.575 22.544 ( -0.017 0.610 0.039) 0.612 22.555 ( -0.148 0.172 -0.278) 0.358 22.772 ( 0.498 0.211 0.011) 0.541 22.790 ( -0.467 -0.264 -0.161) 0.561 26.442 ( 0.394 0.038 0.299) 0.496 26.457 ( -0.096 -0.393 0.905) 0.992 26.503 ( -0.187 -0.081 -1.187) 1.205 26.523 ( 0.521 -0.341 -0.848) 1.053 35.553 ( 1.991 -1.749 5.058) 5.710 35.708 ( 1.219 -8.574 3.506) 9.343 36.087 ( -4.991 0.999 6.024) 7.887 36.314 ( 4.862 5.723 -7.884) 10.888 36.479 ( 1.629 -0.132 8.011) 8.176 37.229 ( 2.788 -3.487 -15.957) 16.570 37.313 ( 6.784 3.779 10.201) 12.821 37.913 ( -6.936 -8.480 -4.606) 11.884 ======================= Grid point 182 (97/136) ======================= q-point: (-0.45 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -4.729 1.040 4.055) 6.315 2.215 ( 1.677 -3.330 -4.554) 5.886 2.522 ( -11.606 0.005 -6.332) 13.221 2.586 ( -7.803 1.431 -5.431) 9.614 2.945 ( 0.278 3.196 -0.790) 3.304 3.099 ( 1.677 7.021 -10.626) 12.846 3.540 ( -11.720 5.754 8.156) 15.394 3.766 ( 3.762 -6.635 3.525) 8.402 3.870 ( -0.759 2.744 4.933) 5.695 3.952 ( 1.543 -1.251 -3.131) 3.708 4.024 ( -2.017 -7.871 -6.094) 10.157 4.155 ( 7.608 -4.155 4.583) 9.806 4.364 ( 1.627 -1.510 -2.692) 3.489 4.388 ( 10.443 -4.562 1.572) 11.504 4.542 ( 1.656 2.228 8.580) 9.018 4.654 ( 5.720 0.244 9.680) 11.247 4.798 ( -5.965 0.991 0.078) 6.047 4.870 ( -0.216 5.820 -2.141) 6.205 5.042 ( -1.150 -5.586 -1.494) 5.896 5.137 ( 3.223 -3.453 -1.855) 5.075 5.262 ( -7.612 -3.695 6.663) 10.770 5.316 ( -4.286 1.424 2.070) 4.968 5.431 ( -7.721 6.760 -0.110) 10.263 5.609 ( -1.070 4.089 2.419) 4.870 5.686 ( 3.431 -1.900 -3.479) 5.243 5.785 ( -5.812 2.121 -7.539) 9.753 5.858 ( 6.943 6.881 -2.183) 10.016 5.918 ( 2.789 1.580 -1.523) 3.549 6.136 ( 1.961 1.361 -0.241) 2.399 6.194 ( -1.009 -1.183 -4.569) 4.826 6.232 ( -5.016 1.108 3.441) 6.183 6.343 ( -10.504 3.178 -4.075) 11.706 6.397 ( -3.130 -7.766 -0.033) 8.373 6.534 ( 7.784 2.575 -1.433) 8.323 6.607 ( -9.048 -1.608 -0.625) 9.211 6.722 ( 4.744 -2.326 2.347) 5.782 6.779 ( 4.282 -3.379 -2.804) 6.133 6.847 ( 1.316 -5.640 -6.142) 8.442 7.195 ( 2.757 -0.607 1.530) 3.211 7.288 ( 0.046 2.154 -2.913) 3.623 7.369 ( 2.880 -3.009 3.695) 5.567 7.386 ( -4.050 -0.138 0.734) 4.118 7.506 ( -2.124 3.965 2.107) 4.967 7.539 ( -0.761 -1.304 3.642) 3.943 7.741 ( -7.082 1.356 -2.790) 7.732 7.796 ( 2.357 1.812 0.094) 2.974 7.884 ( -11.344 -7.734 0.023) 13.730 7.985 ( 4.768 2.109 6.239) 8.131 8.025 ( -0.138 3.267 -2.588) 4.171 8.112 ( 11.366 -4.917 2.306) 12.597 8.516 ( -0.746 7.223 2.201) 7.588 8.623 ( -1.312 -0.828 -0.146) 1.558 8.728 ( -0.844 4.555 -1.773) 4.960 8.801 ( 3.101 3.243 -4.003) 6.013 8.930 ( 2.786 -3.708 1.848) 4.992 8.960 ( -1.687 3.999 -2.682) 5.102 9.343 ( -5.002 -0.609 0.735) 5.092 9.439 ( 2.615 0.977 1.254) 3.061 9.610 ( -0.643 0.851 1.987) 2.256 9.785 ( 15.684 -1.412 1.484) 15.817 16.695 ( 0.021 1.472 -0.186) 1.484 16.746 ( 0.662 2.291 -2.450) 3.419 16.773 ( -0.710 -0.778 -0.031) 1.054 16.834 ( 1.773 -0.302 -1.919) 2.630 17.003 ( -0.810 0.573 2.123) 2.344 17.057 ( 0.192 -1.075 0.273) 1.125 17.169 ( 0.811 -0.945 1.003) 1.598 17.202 ( -0.220 -1.322 -1.168) 1.777 22.545 ( -0.044 0.427 0.047) 0.431 22.552 ( 0.247 0.346 -0.221) 0.479 22.780 ( -0.327 -0.013 -0.267) 0.423 22.783 ( 0.622 -0.079 0.075) 0.632 26.446 ( -0.686 -0.004 0.474) 0.833 26.462 ( -0.298 -0.094 0.732) 0.796 26.492 ( 0.256 -0.354 -0.724) 0.845 26.520 ( 0.325 -0.570 -1.158) 1.331 35.628 ( -0.173 -3.013 5.693) 6.444 35.739 ( -0.362 -7.334 -0.040) 7.343 36.059 ( -5.582 1.112 5.190) 7.703 36.301 ( 3.047 6.435 -5.969) 9.291 36.562 ( -4.285 -2.560 9.914) 11.100 37.109 ( 4.941 2.153 -15.144) 16.074 37.489 ( -1.955 -5.251 9.813) 11.300 37.734 ( -5.105 -4.180 -5.789) 8.778 ======================= Grid point 183 (98/136) ======================= q-point: (-0.36 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( -4.236 9.408 8.979) 13.677 2.074 ( -10.166 3.058 -6.184) 12.286 2.296 ( -8.265 -0.855 -3.744) 9.114 2.558 ( -5.172 -4.490 13.590) 15.219 2.848 ( -11.324 6.137 0.559) 12.892 3.038 ( 2.176 5.048 -7.312) 9.148 3.450 ( -5.539 -2.825 4.315) 7.568 3.717 ( -7.582 -0.739 -8.509) 11.420 3.828 ( -4.311 -10.333 -3.403) 11.702 3.946 ( 5.974 -5.594 5.783) 10.021 4.090 ( 1.766 -1.666 -4.041) 4.714 4.237 ( -3.130 -3.747 1.461) 5.097 4.376 ( -2.829 2.547 2.811) 4.732 4.524 ( 5.056 -0.771 -3.669) 6.294 4.654 ( 2.964 0.277 5.398) 6.164 4.687 ( 8.246 6.851 -5.902) 12.238 4.790 ( -2.292 2.326 8.277) 8.898 4.928 ( 2.113 5.062 3.562) 6.540 4.984 ( -3.796 -6.276 -1.903) 7.577 5.096 ( -6.218 -2.321 -3.857) 7.677 5.117 ( -11.076 1.400 0.348) 11.170 5.320 ( 3.612 3.442 -5.588) 7.491 5.325 ( 0.999 1.851 3.996) 4.516 5.548 ( -5.333 11.530 -4.083) 13.343 5.625 ( -4.434 4.633 -0.015) 6.413 5.744 ( 5.743 -3.947 -6.952) 9.843 5.934 ( 2.521 -1.429 2.333) 3.720 6.063 ( 2.311 0.105 -1.833) 2.951 6.106 ( -2.557 1.199 -3.938) 4.846 6.154 ( 0.417 1.109 3.767) 3.949 6.181 ( -2.032 -4.333 1.979) 5.179 6.215 ( -4.511 0.893 9.129) 10.222 6.296 ( -5.056 -5.426 0.016) 7.417 6.503 ( -5.208 -2.538 5.040) 7.678 6.650 ( 4.480 -1.582 -2.294) 5.276 6.725 ( -2.737 -7.510 -4.633) 9.239 6.812 ( 1.906 -3.824 2.883) 5.154 6.874 ( 2.051 -0.038 -0.007) 2.051 7.183 ( -6.416 -0.248 -2.118) 6.761 7.269 ( -4.009 -3.971 -3.935) 6.879 7.273 ( -1.177 1.763 -1.487) 2.589 7.376 ( -4.258 -3.691 -3.786) 6.789 7.499 ( 2.119 -0.177 0.982) 2.342 7.524 ( -6.136 6.027 -0.500) 8.615 7.573 ( -1.049 -0.303 1.302) 1.700 7.743 ( -3.779 -1.595 0.674) 4.156 7.910 ( 1.361 -3.472 4.142) 5.573 7.994 ( 1.259 5.018 -2.971) 5.966 8.140 ( 3.949 1.908 3.516) 5.621 8.314 ( 7.501 0.975 3.666) 8.405 8.492 ( -1.206 7.633 0.223) 7.731 8.608 ( 2.468 -0.792 -1.855) 3.187 8.723 ( -2.572 1.856 2.001) 3.750 8.837 ( 7.100 5.571 -5.308) 10.470 8.861 ( -5.752 6.006 -1.245) 8.409 8.991 ( 3.582 -5.139 -0.032) 6.265 9.331 ( 1.862 -4.974 0.727) 5.360 9.408 ( -2.192 -2.872 0.558) 3.656 9.772 ( 14.488 8.167 0.431) 16.637 10.112 ( 20.747 -2.260 1.797) 20.947 16.690 ( -0.358 1.718 0.034) 1.755 16.745 ( -1.551 0.113 -0.337) 1.591 16.750 ( 1.569 2.059 -1.871) 3.194 16.855 ( 2.537 -0.825 -0.874) 2.808 17.016 ( 0.222 0.023 1.503) 1.520 17.084 ( 1.837 -0.789 1.442) 2.465 17.177 ( -0.251 -1.335 -0.687) 1.522 17.203 ( 1.164 -1.103 0.188) 1.615 22.545 ( 0.119 0.601 0.146) 0.630 22.558 ( 0.640 0.316 -0.180) 0.736 22.769 ( -0.400 0.336 -0.404) 0.661 22.796 ( 0.807 -0.376 0.055) 0.892 26.432 ( -1.195 0.307 0.137) 1.241 26.463 ( -0.630 -0.546 0.772) 1.136 26.494 ( 0.461 -0.339 -0.228) 0.616 26.508 ( -0.236 -0.479 -1.232) 1.343 35.645 ( -2.935 -4.188 -0.395) 5.130 35.698 ( -2.844 -2.762 0.235) 3.972 36.028 ( -4.638 -1.188 4.337) 6.461 36.290 ( 1.099 4.733 -2.650) 5.534 36.515 ( -10.892 -1.643 4.169) 11.778 37.106 ( 10.068 -1.591 -8.613) 13.345 37.338 ( -16.680 -0.451 -1.802) 16.783 37.755 ( 1.506 -8.840 7.502) 11.691 ======================= Grid point 184 (99/136) ======================= q-point: (-0.27 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -13.789 8.013 -1.964) 16.068 1.969 ( -3.283 18.713 12.609) 22.802 2.204 ( -4.156 -0.769 4.890) 6.464 2.542 ( -14.831 0.728 10.202) 18.015 2.696 ( -11.734 -2.505 10.149) 15.715 2.983 ( -2.448 1.878 -4.661) 5.590 3.444 ( -14.013 7.397 -7.891) 17.702 3.460 ( 0.211 -9.296 1.488) 9.417 3.730 ( -3.493 -10.573 -3.127) 11.565 3.912 ( -15.786 5.472 3.843) 17.144 4.020 ( -0.685 -4.654 -8.392) 9.620 4.218 ( 3.976 -0.526 8.258) 9.180 4.419 ( 0.958 -6.774 1.265) 6.958 4.519 ( 3.352 -2.449 -8.986) 9.898 4.653 ( -11.490 6.107 -0.173) 13.013 4.736 ( -5.831 -0.728 1.881) 6.170 4.858 ( 15.414 4.300 -14.147) 21.359 4.882 ( -0.723 -1.928 5.633) 5.997 4.958 ( -3.198 1.696 2.200) 4.236 5.001 ( -0.907 -3.454 0.593) 3.620 5.098 ( 5.566 2.044 0.734) 5.975 5.364 ( 8.895 2.759 -7.475) 11.942 5.415 ( 1.424 -0.025 3.076) 3.390 5.444 ( -1.608 9.963 0.680) 10.115 5.561 ( -4.573 11.528 1.995) 12.561 5.741 ( 1.096 -8.896 -2.371) 9.272 5.846 ( -6.123 2.745 -6.124) 9.085 6.002 ( -1.251 2.405 -2.300) 3.555 6.080 ( -3.839 -6.961 -2.784) 8.423 6.158 ( -3.481 -8.702 3.372) 9.961 6.187 ( -3.642 1.752 8.762) 9.649 6.311 ( 1.161 -3.957 3.696) 5.537 6.344 ( 4.014 0.211 6.052) 7.265 6.571 ( 2.043 -2.083 8.511) 8.998 6.596 ( -4.628 -5.167 -4.381) 8.205 6.668 ( -1.511 2.118 3.026) 3.991 6.775 ( -4.589 -8.450 -1.807) 9.784 6.920 ( 0.180 -4.796 -1.258) 4.962 6.998 ( -8.393 0.738 -1.421) 8.544 7.149 ( -8.568 -0.835 -3.653) 9.352 7.229 ( 1.497 0.473 -3.897) 4.202 7.273 ( 0.576 -3.483 -2.691) 4.439 7.468 ( -1.786 4.343 -0.433) 4.716 7.527 ( -1.396 -0.093 0.867) 1.646 7.653 ( 7.490 -3.060 1.332) 8.200 7.738 ( 0.447 -1.428 1.334) 2.004 7.940 ( 1.017 5.863 -2.105) 6.312 7.984 ( -1.437 -0.112 1.586) 2.143 8.159 ( -0.445 1.609 -1.068) 1.982 8.400 ( -1.441 6.259 3.431) 7.282 8.486 ( -2.159 7.030 -3.560) 8.171 8.641 ( 0.642 0.695 2.659) 2.823 8.698 ( 0.200 4.404 1.836) 4.776 8.824 ( 2.189 7.109 0.750) 7.476 8.906 ( 7.287 -1.826 -3.788) 8.413 9.061 ( 4.109 -5.704 1.703) 7.233 9.373 ( 2.373 -6.344 0.814) 6.822 9.441 ( 4.952 -4.082 0.017) 6.417 10.006 ( 14.649 11.940 -1.984) 19.003 10.443 ( 20.006 -1.820 -2.656) 20.263 16.687 ( -0.453 1.270 -0.044) 1.349 16.701 ( -2.008 0.176 -0.821) 2.176 16.771 ( 1.565 2.269 -0.009) 2.756 16.892 ( 2.702 -1.101 -0.392) 2.944 17.049 ( 1.814 -0.131 1.596) 2.420 17.135 ( 1.683 -1.475 2.135) 3.093 17.166 ( 0.301 -0.399 -0.916) 1.044 17.224 ( 1.508 -0.974 -0.290) 1.819 22.555 ( 0.674 0.677 0.492) 1.075 22.565 ( 0.766 0.516 -0.637) 1.122 22.760 ( -0.229 0.741 -0.203) 0.802 22.810 ( 0.839 -0.588 -0.016) 1.025 26.415 ( -1.074 0.508 0.114) 1.194 26.456 ( -0.833 -0.975 0.038) 1.283 26.491 ( -0.439 -0.077 -0.235) 0.504 26.500 ( 0.185 -0.280 0.254) 0.421 35.536 ( -4.746 -0.627 -5.023) 6.939 35.671 ( -3.097 -3.901 1.608) 5.234 35.991 ( -4.274 -2.373 1.609) 5.146 36.265 ( -5.140 -3.250 2.009) 6.405 36.346 ( -9.396 6.015 -1.527) 11.260 36.993 ( -15.504 -4.228 -8.750) 18.298 37.244 ( 7.375 1.920 1.893) 7.853 37.835 ( -4.026 -14.596 10.118) 18.210 ======================= Grid point 185 (100/136) ======================= q-point: (-0.18 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( -17.006 14.822 3.774) 22.872 2.002 ( -9.963 26.891 11.275) 30.814 2.211 ( -6.964 -3.802 8.452) 11.593 2.452 ( -7.588 -3.049 13.333) 15.641 2.633 ( -9.274 -5.063 8.613) 13.632 2.826 ( -15.706 8.148 5.561) 18.547 3.176 ( -6.636 7.614 -3.485) 10.684 3.481 ( -2.769 -7.930 1.735) 8.577 3.656 ( -2.691 -6.632 -1.562) 7.326 3.783 ( -2.921 -1.485 -1.156) 3.475 3.907 ( -2.128 -1.820 -6.274) 6.870 4.273 ( -10.261 0.984 -5.343) 11.610 4.379 ( -0.614 -4.222 3.060) 5.250 4.481 ( 4.374 -7.093 -7.464) 11.188 4.537 ( -2.237 1.899 4.166) 5.096 4.676 ( 1.042 -2.970 -1.731) 3.592 4.827 ( 2.600 -1.563 -10.023) 10.472 4.944 ( 3.459 1.074 -8.071) 8.847 5.016 ( 1.242 -0.183 8.763) 8.852 5.095 ( 10.239 6.182 2.550) 12.230 5.160 ( -0.295 0.379 -1.452) 1.530 5.355 ( -3.661 6.635 2.972) 8.139 5.450 ( 5.391 0.352 -3.521) 6.448 5.489 ( -0.032 7.963 3.367) 8.646 5.596 ( -1.668 2.783 4.757) 5.758 5.661 ( -6.269 -0.013 0.534) 6.292 5.802 ( 7.863 -6.627 -2.009) 10.477 5.955 ( -3.686 1.547 0.134) 4.000 6.003 ( 0.794 -4.232 -3.961) 5.851 6.109 ( -6.452 -11.040 4.621) 13.596 6.214 ( -4.851 0.479 5.376) 7.257 6.338 ( -5.168 0.377 1.941) 5.533 6.362 ( -1.311 3.346 -3.553) 5.053 6.411 ( -5.104 -4.024 -7.289) 9.766 6.617 ( -0.346 -0.713 -5.587) 5.643 6.643 ( -4.737 -7.973 -0.579) 9.293 6.828 ( 1.231 -3.390 8.033) 8.805 6.859 ( 0.224 -9.579 0.882) 9.622 6.908 ( -6.844 2.353 2.285) 7.589 7.053 ( 2.238 0.693 -1.530) 2.798 7.259 ( 1.676 1.762 2.159) 3.252 7.290 ( 4.920 -0.459 -2.154) 5.390 7.439 ( -0.470 0.903 -2.105) 2.338 7.539 ( 2.425 -3.796 0.648) 4.551 7.706 ( -1.374 -0.217 -0.422) 1.453 7.790 ( 2.211 -5.200 2.852) 6.329 7.894 ( -0.536 4.210 -2.018) 4.700 8.028 ( 1.437 1.900 2.667) 3.576 8.161 ( 1.446 1.696 0.625) 2.315 8.345 ( -4.108 1.989 -3.406) 5.695 8.381 ( -4.430 7.377 -0.154) 8.606 8.684 ( 0.213 8.989 4.879) 10.230 8.758 ( 1.264 7.294 1.940) 7.653 8.898 ( 4.939 10.654 0.879) 11.776 8.977 ( 5.096 -10.253 -1.789) 11.589 9.170 ( 4.085 -7.443 7.007) 11.009 9.431 ( 3.797 -5.977 -0.175) 7.083 9.527 ( 5.278 -5.455 0.186) 7.593 10.169 ( 10.778 13.777 -6.513) 18.665 10.654 ( 14.546 -0.862 -11.940) 18.839 16.648 ( -2.282 0.710 -0.575) 2.458 16.696 ( 0.015 -0.041 0.841) 0.842 16.792 ( 0.550 1.610 0.356) 1.738 16.926 ( 1.870 -1.656 -0.716) 2.598 17.104 ( 2.583 0.334 1.885) 3.215 17.156 ( -0.238 -1.325 0.636) 1.490 17.187 ( 1.909 1.151 0.385) 2.262 17.251 ( 2.492 -0.888 -0.126) 2.649 22.562 ( 0.046 0.441 -0.549) 0.706 22.580 ( 1.707 0.526 -0.348) 1.820 22.762 ( 0.451 1.261 0.438) 1.409 22.823 ( 0.807 -0.560 0.042) 0.983 26.401 ( -0.843 0.522 0.176) 1.007 26.437 ( -0.934 -0.860 -0.628) 1.417 26.495 ( 0.199 0.181 1.243) 1.271 26.508 ( 0.105 -0.022 0.804) 0.811 35.429 ( -3.135 0.406 -2.099) 3.795 35.622 ( -3.411 -4.918 -1.077) 6.081 35.911 ( -7.139 -1.256 0.561) 7.270 36.132 ( -11.887 -3.755 4.421) 13.227 36.256 ( -2.276 6.611 -1.900) 7.246 36.645 ( -15.412 0.174 -8.617) 17.658 37.391 ( 6.961 -3.387 3.117) 8.345 37.829 ( -9.365 -17.181 9.179) 21.613 ======================= Grid point 186 (101/136) ======================= q-point: (-0.09 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -12.540 18.934 10.580) 25.054 1.909 ( -19.469 20.030 20.517) 34.659 2.211 ( -2.318 -2.916 8.236) 9.040 2.442 ( -10.712 -2.780 9.227) 14.408 2.631 ( 2.468 -1.792 -5.691) 6.457 2.737 ( -8.501 9.842 22.282) 25.800 3.163 ( 4.868 5.191 0.324) 7.124 3.371 ( -8.647 -3.398 -5.491) 10.792 3.588 ( -4.789 -3.889 -1.270) 6.299 3.746 ( 6.859 -10.424 -7.421) 14.518 3.904 ( -1.597 8.178 8.646) 12.008 4.050 ( -4.396 -4.051 -8.337) 10.259 4.360 ( -4.446 -2.981 1.125) 5.470 4.410 ( -4.936 -6.932 -1.521) 8.645 4.633 ( 5.215 -5.435 -2.745) 8.017 4.644 ( 3.367 1.163 -8.873) 9.562 4.845 ( 7.734 2.519 -4.470) 9.281 4.930 ( 3.278 3.287 -0.893) 4.727 5.065 ( -4.731 -3.011 2.066) 5.976 5.167 ( 5.732 0.161 -1.856) 6.027 5.236 ( 3.084 3.212 0.762) 4.517 5.338 ( -3.955 7.239 4.425) 9.362 5.414 ( -3.530 8.215 -5.768) 10.640 5.503 ( 0.583 1.594 1.782) 2.461 5.538 ( -4.052 1.648 2.617) 5.098 5.668 ( -2.226 -1.258 1.548) 2.989 5.857 ( 1.135 -1.383 -2.838) 3.355 5.930 ( -4.400 -1.736 -2.847) 5.520 6.052 ( 2.056 -3.055 -1.348) 3.921 6.109 ( 2.392 -9.849 11.191) 15.098 6.161 ( -2.764 -3.267 4.798) 6.429 6.181 ( -4.087 -0.324 -3.940) 5.686 6.271 ( -3.965 -4.721 0.505) 6.186 6.372 ( -0.282 0.652 -4.990) 5.040 6.531 ( -1.151 0.286 -5.856) 5.975 6.598 ( 2.713 -8.526 -2.198) 9.213 6.813 ( -5.522 3.718 -0.282) 6.663 6.868 ( -0.280 -0.541 1.433) 1.557 6.895 ( 1.297 -11.481 1.945) 11.717 7.138 ( 3.812 -2.931 -0.042) 4.809 7.296 ( -0.739 1.208 0.021) 1.416 7.331 ( 1.354 4.151 1.257) 4.543 7.453 ( 4.284 -0.392 2.100) 4.787 7.588 ( 3.952 -8.614 -4.446) 10.468 7.707 ( -0.728 2.697 4.937) 5.672 7.786 ( -5.465 -4.890 4.217) 8.459 7.897 ( 0.707 -2.736 -3.785) 4.723 8.008 ( -2.026 2.968 -1.496) 3.893 8.216 ( 1.625 1.160 0.746) 2.131 8.286 ( -0.990 5.289 -1.119) 5.496 8.399 ( 4.517 5.996 6.976) 10.248 8.719 ( -3.536 12.026 4.331) 13.263 8.773 ( 0.308 6.625 0.995) 6.706 8.977 ( 3.197 6.232 1.016) 7.077 9.045 ( 4.679 -8.755 0.908) 9.968 9.332 ( 2.754 -6.287 12.097) 13.909 9.459 ( 0.750 -6.653 -2.589) 7.179 9.620 ( 5.081 -5.831 2.416) 8.103 10.204 ( 5.155 12.827 -11.155) 17.764 10.625 ( 4.044 1.492 -21.650) 22.075 16.623 ( -0.351 1.198 0.325) 1.290 16.712 ( -0.183 -1.254 2.362) 2.681 16.784 ( -0.941 1.682 -1.312) 2.331 16.927 ( 0.213 -2.243 -1.997) 3.010 17.155 ( 0.834 0.342 1.033) 1.371 17.163 ( 0.314 0.028 0.716) 0.782 17.228 ( 2.734 1.819 1.213) 3.501 17.296 ( 2.044 -0.480 0.838) 2.260 22.554 ( -0.165 0.549 -0.569) 0.808 22.595 ( 0.969 -0.598 -1.267) 1.704 22.785 ( 1.281 1.508 0.969) 2.203 22.836 ( 0.634 -0.245 0.019) 0.680 26.392 ( -0.586 0.332 0.279) 0.729 26.420 ( -0.341 -0.720 -0.565) 0.977 26.518 ( 0.580 0.549 1.589) 1.778 26.522 ( 0.323 0.530 1.173) 1.327 35.410 ( 0.849 0.314 2.543) 2.699 35.557 ( -3.945 -3.740 2.278) 5.894 35.815 ( -5.456 1.242 2.191) 6.009 36.013 ( -6.449 -1.266 -0.407) 6.585 36.194 ( -4.685 3.498 0.151) 5.849 36.354 ( -8.714 2.199 -8.047) 12.063 37.524 ( 4.990 -6.714 3.884) 9.223 37.749 ( -10.039 -14.820 6.732) 19.125 ======================= Grid point 187 (102/136) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 0.579 17.162 11.379) 20.600 2.065 ( -5.290 -4.025 15.306) 16.687 2.167 ( -5.594 2.632 6.115) 8.696 2.314 ( -5.573 -7.902 10.129) 14.004 2.695 ( 0.229 8.200 1.483) 8.336 2.864 ( 0.214 -7.028 3.737) 7.962 3.224 ( 2.438 5.516 -6.753) 9.054 3.327 ( 5.328 -1.124 -16.078) 16.975 3.547 ( 7.074 5.554 7.292) 11.579 3.697 ( 11.176 -8.592 4.609) 14.832 3.843 ( -6.425 2.597 -6.458) 9.473 3.960 ( -5.961 -7.875 -5.611) 11.359 4.233 ( -2.579 -0.639 -1.425) 3.015 4.310 ( -0.700 -6.778 -3.862) 7.832 4.671 ( 3.629 13.017 6.003) 14.786 4.733 ( -0.333 5.627 -3.785) 6.790 4.855 ( -1.261 1.554 -6.026) 6.350 5.009 ( 3.423 -3.070 8.151) 9.358 5.100 ( 2.181 2.232 6.057) 6.814 5.142 ( 0.902 -1.596 -0.335) 1.863 5.287 ( -0.735 2.113 -0.310) 2.258 5.365 ( -2.509 -3.561 4.607) 6.341 5.527 ( -0.542 10.400 -1.607) 10.538 5.574 ( -1.311 4.073 1.233) 4.453 5.601 ( -5.058 -0.385 4.490) 6.774 5.668 ( 1.862 1.255 -1.096) 2.498 5.675 ( -4.927 -11.798 3.577) 13.276 5.787 ( -0.632 -7.032 -3.151) 7.732 5.880 ( -3.468 3.905 4.497) 6.892 6.002 ( -4.168 -7.934 1.653) 9.113 6.172 ( 5.065 2.621 4.738) 7.414 6.233 ( 7.781 -2.946 10.126) 13.106 6.295 ( 1.754 5.340 -6.104) 8.298 6.400 ( -1.216 2.896 -7.764) 8.375 6.510 ( 5.600 -2.904 -5.828) 8.588 6.531 ( 5.987 2.022 -5.989) 8.706 6.696 ( -5.505 -3.849 -2.928) 7.327 6.767 ( 1.515 -7.749 -0.754) 7.932 6.903 ( 1.349 2.732 -7.329) 7.937 7.014 ( 1.597 -9.019 -7.962) 12.136 7.276 ( -2.271 -1.168 -4.353) 5.047 7.291 ( -1.338 -0.415 -3.679) 3.936 7.466 ( -2.869 5.540 4.800) 7.871 7.559 ( 0.330 -2.105 3.691) 4.262 7.660 ( -4.995 -2.905 6.435) 8.648 7.695 ( -2.948 -4.311 4.938) 7.188 7.921 ( 1.982 1.482 -3.048) 3.927 7.937 ( -0.540 -0.834 -4.849) 4.949 8.428 ( 1.461 13.851 3.830) 14.445 8.508 ( 3.606 10.718 4.231) 12.074 8.600 ( 3.280 -3.273 7.480) 8.799 8.729 ( -1.774 -5.973 0.791) 6.281 8.927 ( -0.686 5.117 2.138) 5.588 8.976 ( 1.431 -2.880 1.567) 3.577 9.082 ( -1.659 1.674 -0.330) 2.380 9.187 ( -6.285 -8.908 -2.411) 11.165 9.538 ( 3.104 4.282 13.350) 14.359 9.639 ( 3.814 -5.668 10.176) 12.257 10.275 ( -1.738 7.480 -18.049) 19.615 10.379 ( -2.202 -3.016 -22.242) 22.553 16.675 ( 1.142 1.666 1.893) 2.768 16.707 ( 0.749 -1.572 2.219) 2.820 16.802 ( 0.260 2.531 -2.414) 3.507 16.853 ( 0.032 -2.589 -2.899) 3.887 17.164 ( -0.708 0.217 0.561) 0.929 17.167 ( -0.663 -0.102 0.434) 0.799 17.305 ( 0.026 0.993 1.845) 2.095 17.317 ( -0.309 -0.317 1.353) 1.424 22.556 ( -0.137 0.530 -0.521) 0.756 22.569 ( -0.097 -0.833 -1.081) 1.368 22.830 ( 0.336 0.738 0.507) 0.956 22.840 ( 0.241 -0.281 0.097) 0.383 26.394 ( 0.021 0.348 0.053) 0.353 26.403 ( 0.162 -0.505 -0.287) 0.603 26.552 ( 0.343 0.391 1.337) 1.435 26.553 ( 0.397 0.311 1.377) 1.466 35.509 ( 2.632 0.649 5.568) 6.192 35.532 ( 1.076 -1.801 5.466) 5.855 35.819 ( -0.648 2.633 -1.110) 2.930 35.874 ( -0.457 -2.847 -3.206) 4.312 36.198 ( -3.648 4.061 -0.161) 5.461 36.245 ( -1.830 -0.626 -2.116) 2.867 37.500 ( -0.270 -2.349 3.308) 4.067 37.533 ( 0.671 -5.386 1.756) 5.704 ======================= Grid point 188 (103/136) ======================= q-point: ( 0.09 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( 1.948 11.262 11.735) 16.381 2.155 ( 1.964 -7.195 4.411) 8.665 2.249 ( 7.238 8.232 9.931) 14.791 2.399 ( 3.455 -6.046 5.310) 8.757 2.760 ( 3.062 5.911 7.520) 10.043 2.884 ( 0.952 -3.388 0.047) 3.519 3.210 ( 7.861 3.430 -11.517) 14.359 3.286 ( 5.534 -2.071 -7.735) 9.734 3.678 ( -3.288 -2.258 -6.923) 7.990 3.694 ( -3.546 -0.814 -1.417) 3.904 3.876 ( 11.762 2.849 3.562) 12.615 3.989 ( 10.097 -6.290 4.073) 12.574 4.178 ( -4.374 -1.810 2.093) 5.175 4.261 ( 0.892 -9.759 -2.910) 10.222 4.585 ( -1.947 2.879 -9.214) 9.847 4.654 ( -1.805 -3.928 -10.552) 11.403 4.962 ( -3.015 14.958 19.137) 24.476 5.062 ( -2.865 0.047 2.427) 3.755 5.145 ( -0.781 9.282 1.735) 9.476 5.182 ( 0.964 6.467 -3.515) 7.424 5.262 ( 1.060 -0.158 0.094) 1.075 5.391 ( -2.885 0.002 5.294) 6.029 5.508 ( 4.013 12.137 -4.632) 13.596 5.551 ( -1.289 -2.328 -2.958) 3.979 5.589 ( 0.074 -0.100 3.253) 3.255 5.699 ( 2.006 -7.198 3.115) 8.095 5.726 ( 5.679 -4.429 2.635) 7.668 5.799 ( 0.304 -3.900 5.633) 6.858 5.901 ( 0.869 1.426 3.408) 3.795 6.011 ( 1.775 -10.704 1.530) 10.958 6.168 ( -4.761 7.462 -4.805) 10.071 6.248 ( 1.294 3.093 -3.453) 4.813 6.365 ( 3.541 7.353 -0.820) 8.202 6.422 ( 3.520 -4.595 -0.802) 5.844 6.521 ( 3.182 -5.357 -7.878) 10.044 6.608 ( 7.241 3.171 0.353) 7.913 6.634 ( -1.926 -12.801 -0.033) 12.945 6.744 ( 3.953 -6.539 -1.343) 7.758 6.896 ( 5.724 -1.252 -4.821) 7.588 6.967 ( 4.092 -8.626 -8.850) 13.019 7.199 ( -4.982 3.413 0.696) 6.079 7.233 ( -3.109 0.179 -0.877) 3.235 7.469 ( -3.081 2.161 4.749) 6.059 7.528 ( -4.227 -3.592 0.972) 5.631 7.693 ( -2.043 -0.620 6.461) 6.804 7.707 ( -2.195 -1.635 6.551) 7.100 7.877 ( -0.995 1.267 -4.440) 4.723 7.915 ( 0.590 -2.199 -2.771) 3.587 8.472 ( -1.481 11.530 2.693) 11.932 8.519 ( -3.247 14.072 -3.313) 14.817 8.628 ( -3.851 -0.296 1.485) 4.138 8.758 ( 2.327 -6.590 1.638) 7.178 8.939 ( -2.500 2.364 0.561) 3.486 8.960 ( -3.349 0.120 0.485) 3.386 9.055 ( -3.908 -1.429 -0.665) 4.214 9.126 ( 2.780 -8.846 4.442) 10.282 9.712 ( -1.253 4.461 14.686) 15.400 9.786 ( -2.730 -3.006 11.869) 12.544 10.024 ( -4.892 4.863 -16.855) 18.212 10.098 ( -3.063 -2.656 -18.701) 19.136 16.701 ( 0.050 2.078 0.329) 2.105 16.742 ( 0.579 -2.005 1.058) 2.339 16.802 ( 2.481 1.603 -1.417) 3.276 16.836 ( 1.835 -1.723 -2.023) 3.229 17.156 ( -1.202 0.151 1.017) 1.581 17.157 ( -1.284 -0.023 0.918) 1.579 17.287 ( -3.834 0.811 0.654) 3.973 17.296 ( -3.551 -0.049 0.676) 3.615 22.552 ( -0.023 0.180 0.018) 0.183 22.558 ( -0.077 -0.468 -0.598) 0.763 22.831 ( -0.618 0.490 0.101) 0.795 22.836 ( -0.561 -0.030 -0.182) 0.590 26.400 ( 0.566 0.218 0.098) 0.614 26.406 ( 0.567 -0.354 -0.285) 0.727 26.564 ( -0.186 0.474 0.456) 0.683 26.565 ( -0.130 0.352 0.400) 0.549 35.538 ( -3.218 0.861 0.767) 3.418 35.577 ( -2.277 -3.075 1.627) 4.157 35.861 ( 6.798 3.414 1.121) 7.689 35.928 ( 9.213 -3.301 -0.708) 9.812 36.191 ( 2.823 4.833 0.201) 5.601 36.252 ( 4.640 -1.007 -0.326) 4.759 37.521 ( 0.448 -0.429 1.247) 1.393 37.592 ( 3.539 -7.222 1.893) 8.262 ======================= Grid point 189 (104/136) ======================= q-point: ( 0.18 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( 5.026 7.926 1.953) 9.586 2.248 ( 3.036 -6.858 1.637) 7.677 2.507 ( 13.394 5.181 4.691) 15.108 2.537 ( 8.736 2.709 6.315) 11.115 2.893 ( 2.587 6.474 3.085) 7.624 2.951 ( 4.748 -2.208 7.445) 9.102 3.229 ( 7.831 0.941 -8.889) 11.884 3.330 ( 9.095 -3.272 -6.964) 11.913 3.566 ( -0.466 -5.760 -7.595) 9.543 3.597 ( 0.788 -5.957 -5.531) 8.167 4.082 ( 0.885 1.482 2.600) 3.121 4.126 ( -4.508 0.144 2.054) 4.956 4.188 ( 10.772 -0.581 4.377) 11.641 4.278 ( 4.842 -6.977 -4.616) 9.666 4.479 ( -4.530 4.543 1.913) 6.695 4.607 ( -0.906 -7.582 6.782) 10.213 4.964 ( -5.463 2.899 -3.490) 7.101 4.996 ( -5.504 -0.313 -1.917) 5.837 5.092 ( 2.936 12.857 -2.926) 13.509 5.221 ( 2.036 3.197 -7.710) 8.592 5.288 ( 1.396 7.763 5.495) 9.613 5.383 ( -6.312 9.685 6.991) 13.510 5.484 ( -2.374 -4.796 -2.666) 5.979 5.549 ( -2.057 0.753 5.328) 5.761 5.659 ( 3.661 -1.523 -0.175) 3.969 5.735 ( 0.685 -5.560 1.275) 5.745 5.815 ( 2.340 6.321 2.693) 7.258 5.859 ( 0.647 4.283 -3.752) 5.731 5.947 ( -1.331 -1.988 -3.280) 4.060 6.058 ( 11.463 -7.746 3.198) 14.199 6.184 ( 4.537 -4.306 3.706) 7.270 6.271 ( 4.742 -4.349 1.785) 6.677 6.365 ( 1.490 -0.862 -10.724) 10.861 6.433 ( 3.759 -5.403 -4.979) 8.254 6.468 ( 4.148 6.754 -1.420) 8.052 6.614 ( 6.078 -7.124 -5.228) 10.725 6.795 ( 7.857 2.065 6.543) 10.431 6.866 ( 3.751 -3.095 3.052) 5.742 6.928 ( 2.816 -3.409 -3.931) 5.916 6.953 ( 4.211 -5.571 -6.534) 9.563 7.138 ( -5.221 2.808 5.581) 8.142 7.191 ( -2.459 -2.700 3.006) 4.730 7.445 ( -2.993 1.277 0.230) 3.262 7.482 ( -3.809 -1.423 0.365) 4.082 7.731 ( -0.048 2.336 6.223) 6.647 7.764 ( -0.076 -0.378 4.335) 4.352 7.827 ( -0.481 -0.054 0.229) 0.536 7.880 ( -0.907 -4.990 -2.825) 5.805 8.357 ( -8.775 9.943 -4.407) 13.975 8.420 ( -6.541 4.033 -1.919) 7.920 8.598 ( -0.297 4.997 -1.568) 5.246 8.746 ( -3.357 -10.780 -0.332) 11.295 8.867 ( -2.599 5.833 -0.107) 6.386 8.940 ( -2.525 -1.447 0.217) 2.918 9.057 ( 0.547 7.531 3.880) 8.489 9.210 ( 0.927 -7.583 4.208) 8.722 9.637 ( -11.412 1.701 -7.943) 14.008 9.679 ( -10.291 -3.120 -10.597) 15.097 9.906 ( -2.882 7.837 8.090) 11.626 10.031 ( -1.683 -4.949 7.139) 8.848 16.699 ( 0.602 1.624 -0.884) 1.945 16.736 ( -0.635 -2.082 -0.909) 2.359 16.839 ( 2.719 1.228 -0.826) 3.096 16.862 ( 1.992 -1.162 -0.286) 2.324 17.148 ( -1.530 0.354 1.559) 2.213 17.153 ( -1.075 -0.089 1.814) 2.110 17.210 ( -4.890 1.096 -0.923) 5.095 17.227 ( -4.977 -0.499 -0.187) 5.006 22.553 ( -0.001 0.019 0.132) 0.133 22.555 ( 0.078 -0.170 0.136) 0.232 22.814 ( -1.024 0.597 -0.506) 1.289 22.822 ( -0.939 -0.182 -0.168) 0.971 26.413 ( 0.725 0.016 0.073) 0.729 26.414 ( 0.755 -0.113 -0.103) 0.770 26.556 ( -0.583 0.465 -0.566) 0.936 26.559 ( -0.451 0.201 -0.565) 0.750 35.478 ( -2.471 1.507 -1.595) 3.304 35.531 ( -2.481 -3.937 -0.718) 4.709 35.990 ( 3.495 3.009 4.778) 6.641 36.063 ( 4.516 -4.316 3.045) 6.949 36.294 ( 11.514 7.731 -2.853) 14.159 36.406 ( 14.921 -3.085 -0.867) 15.261 37.541 ( 1.503 3.148 -0.758) 3.570 37.676 ( 4.113 -10.097 1.944) 11.075 ======================= Grid point 190 (105/136) ======================= q-point: ( 0.27 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( 2.094 4.896 -7.186) 8.944 2.234 ( -1.267 -5.156 -5.984) 8.000 2.767 ( 15.365 7.681 2.380) 17.342 2.808 ( 12.811 3.956 6.199) 14.772 2.971 ( 2.885 7.707 3.760) 9.047 3.082 ( 3.117 -5.441 2.700) 6.827 3.290 ( 9.774 1.124 -4.434) 10.792 3.424 ( 12.020 -6.879 -6.922) 15.483 3.547 ( 6.494 -2.388 -5.227) 8.672 3.614 ( 6.137 -5.692 -1.554) 8.514 4.020 ( -7.677 0.011 -0.519) 7.695 4.070 ( -5.999 -3.912 3.883) 8.146 4.265 ( -2.669 -0.522 0.587) 2.783 4.292 ( -3.597 -2.971 3.510) 5.838 4.570 ( 3.245 6.291 10.172) 12.393 4.656 ( -5.807 -1.804 7.819) 9.906 4.874 ( -3.093 1.410 -0.833) 3.500 4.904 ( 2.837 0.583 -4.081) 5.004 5.083 ( -3.427 4.969 -4.241) 7.377 5.159 ( 1.260 3.241 -8.168) 8.877 5.306 ( -1.871 0.888 0.148) 2.076 5.352 ( -3.947 4.860 3.035) 6.958 5.443 ( -1.099 -0.775 3.636) 3.876 5.550 ( 0.476 -6.094 0.848) 6.171 5.637 ( -0.876 9.068 -5.325) 10.552 5.776 ( 1.092 4.286 -2.764) 5.216 5.822 ( 1.496 -5.263 -0.482) 5.492 5.890 ( 4.180 -12.035 -0.061) 12.741 5.937 ( 5.331 10.028 -1.177) 11.418 6.202 ( 4.431 -13.501 -1.747) 14.316 6.286 ( 3.663 1.996 0.330) 4.184 6.329 ( 5.027 0.833 -1.288) 5.256 6.454 ( 9.564 -1.072 -1.108) 9.688 6.494 ( 7.843 -1.126 2.308) 8.252 6.546 ( 5.548 6.879 -1.742) 9.007 6.684 ( 6.529 -5.668 -2.693) 9.055 6.850 ( -1.829 -1.236 -4.622) 5.122 6.882 ( -2.345 -2.837 -3.283) 4.932 6.958 ( 5.874 2.316 3.904) 7.424 7.023 ( 8.814 -3.255 0.046) 9.396 7.177 ( -0.553 1.792 7.058) 7.303 7.234 ( 1.051 -3.587 3.493) 5.116 7.378 ( -1.664 2.682 -1.884) 3.676 7.431 ( -0.659 -2.300 -0.256) 2.406 7.744 ( -0.077 2.037 -1.685) 2.644 7.808 ( -1.137 -2.406 0.372) 2.687 7.846 ( 0.997 1.362 3.288) 3.695 7.904 ( 0.546 -3.703 7.603) 8.475 8.173 ( -8.937 7.154 -2.571) 11.733 8.285 ( -6.214 -2.254 -0.954) 6.678 8.582 ( -0.187 4.064 -0.833) 4.152 8.666 ( -6.269 -5.129 -0.988) 8.160 8.844 ( -1.560 5.217 1.579) 5.670 8.899 ( -3.264 -0.630 0.622) 3.382 9.097 ( 1.110 9.623 -0.249) 9.690 9.243 ( -0.488 -2.150 0.939) 2.396 9.380 ( -9.283 -3.083 -8.314) 12.838 9.383 ( -8.269 -5.447 -10.483) 14.420 9.915 ( -9.346 8.342 9.812) 15.913 10.044 ( -9.020 -4.873 9.661) 14.087 16.706 ( 1.317 0.421 -0.669) 1.536 16.720 ( 0.082 -0.815 -1.012) 1.301 16.857 ( 0.868 0.911 -1.251) 1.775 16.874 ( -0.028 -0.782 -0.622) 1.000 17.111 ( -5.281 1.318 0.972) 5.529 17.133 ( -4.971 -0.796 1.854) 5.365 17.157 ( -0.257 0.615 -0.871) 1.097 17.173 ( 0.782 -0.859 -0.540) 1.281 22.555 ( -0.027 0.244 0.203) 0.318 22.559 ( -0.015 -0.174 0.280) 0.330 22.793 ( -0.759 0.732 -0.601) 1.214 22.805 ( -0.846 -0.457 -0.267) 0.998 26.423 ( 0.625 0.195 0.028) 0.655 26.428 ( 0.707 -0.278 0.194) 0.784 26.538 ( -0.456 0.372 -1.131) 1.275 26.542 ( -0.424 -0.037 -1.135) 1.212 35.447 ( -0.091 1.618 0.031) 1.620 35.505 ( -0.551 -4.407 0.769) 4.507 36.069 ( -0.542 2.696 6.381) 6.948 36.145 ( 0.832 -4.904 5.167) 7.172 36.463 ( 14.193 11.641 -5.986) 19.308 36.660 ( 17.325 -7.719 -2.441) 19.123 37.548 ( 1.302 7.706 -2.324) 8.154 37.751 ( 2.901 -12.514 1.098) 12.893 ======================= Grid point 191 (106/136) ======================= q-point: ( 0.36 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -0.858 2.815 -9.084) 9.549 2.128 ( -1.535 -5.717 -7.406) 9.481 2.969 ( 8.257 7.834 -5.179) 12.505 2.997 ( 0.693 6.143 1.482) 6.357 3.027 ( 0.367 3.727 0.343) 3.761 3.099 ( 7.321 -5.428 -8.636) 12.556 3.452 ( 16.539 2.404 -5.736) 17.670 3.582 ( 14.253 -7.883 -3.494) 16.658 3.667 ( 9.960 5.874 1.650) 11.680 3.759 ( 7.514 -3.138 6.032) 10.134 3.891 ( -7.153 -0.464 2.996) 7.769 4.008 ( -5.717 -11.393 3.063) 13.110 4.224 ( -8.104 2.585 6.955) 10.987 4.259 ( -3.107 -2.414 4.673) 6.109 4.568 ( -13.602 3.304 6.362) 15.376 4.636 ( -4.276 -2.716 5.968) 7.829 4.832 ( -5.133 6.796 -0.591) 8.537 4.944 ( 0.388 4.400 2.042) 4.866 4.975 ( -2.891 0.878 1.091) 3.212 5.133 ( 4.026 -5.655 -4.092) 8.058 5.240 ( -5.005 -0.377 0.050) 5.019 5.298 ( -3.684 -6.405 -1.074) 7.466 5.542 ( 2.470 7.198 5.431) 9.349 5.582 ( 1.384 7.035 -4.110) 8.264 5.612 ( 9.030 0.497 -3.657) 9.755 5.761 ( 4.185 -1.254 0.324) 4.381 5.872 ( 3.395 -2.989 -1.898) 4.906 5.938 ( 4.247 -6.105 -0.992) 7.502 6.078 ( 9.055 5.172 0.920) 10.469 6.270 ( 3.987 -8.015 0.990) 9.006 6.320 ( 3.688 3.251 -5.139) 7.112 6.358 ( 1.521 -0.829 -3.250) 3.683 6.456 ( -1.186 5.423 -4.586) 7.201 6.564 ( 0.040 -0.447 -3.173) 3.204 6.661 ( 3.311 -2.818 0.171) 4.352 6.693 ( -1.769 -3.797 -1.410) 4.420 6.801 ( 1.104 -0.461 -2.905) 3.142 6.859 ( 5.831 -5.243 -5.624) 9.650 7.106 ( 2.475 2.344 -0.055) 3.409 7.147 ( 0.474 -0.686 -1.264) 1.514 7.170 ( 4.457 8.221 4.050) 10.191 7.285 ( 8.492 -4.085 1.781) 9.590 7.483 ( 4.156 -0.577 4.082) 5.854 7.490 ( 8.212 -0.532 6.288) 10.357 7.707 ( -3.566 4.684 -3.429) 6.813 7.768 ( -0.146 -1.387 -1.992) 2.431 7.895 ( -1.604 2.889 4.469) 5.558 7.960 ( -1.092 -4.185 3.661) 5.666 8.039 ( -6.460 5.279 2.030) 8.586 8.213 ( -6.883 -9.801 2.597) 12.255 8.544 ( -5.689 2.290 -0.315) 6.141 8.573 ( -1.411 -0.002 1.988) 2.437 8.835 ( -1.392 2.295 0.055) 2.684 8.849 ( -3.547 0.131 0.691) 3.616 9.045 ( -2.196 6.202 -7.496) 9.974 9.129 ( -4.798 0.371 -8.493) 9.761 9.250 ( 1.730 -0.419 0.663) 1.900 9.338 ( 3.927 -6.109 0.298) 7.269 9.808 ( -14.220 8.388 6.352) 17.689 9.938 ( -14.398 -4.875 6.281) 16.447 16.715 ( 0.586 0.568 -0.561) 0.990 16.727 ( 1.418 -0.701 -0.244) 1.601 16.842 ( -0.560 0.978 -1.885) 2.197 16.856 ( -0.587 -0.485 -1.281) 1.491 17.047 ( -3.542 1.265 0.776) 3.840 17.075 ( -3.711 -1.519 1.193) 4.183 17.155 ( 0.355 1.332 -0.545) 1.483 17.185 ( 0.821 -1.627 -0.536) 1.900 22.555 ( -0.160 0.355 0.128) 0.410 22.560 ( -0.112 -0.095 0.044) 0.153 22.780 ( -0.219 0.616 -0.365) 0.749 22.791 ( -0.487 -0.521 -0.235) 0.751 26.434 ( 0.528 0.233 0.277) 0.640 26.439 ( 0.430 -0.340 0.373) 0.663 26.521 ( -0.120 0.197 -1.277) 1.298 26.525 ( -0.092 -0.182 -1.214) 1.231 35.474 ( 1.410 1.165 2.632) 3.205 35.528 ( 0.744 -4.589 2.903) 5.481 36.116 ( -2.463 3.308 7.193) 8.291 36.207 ( -0.757 -5.803 6.511) 8.754 36.600 ( 11.638 14.518 -7.589) 20.095 36.874 ( 14.062 -13.177 -5.504) 20.041 37.536 ( 0.369 11.932 -2.214) 12.141 37.779 ( -0.076 -12.847 -0.634) 12.863 ======================= Grid point 192 (107/136) ======================= q-point: ( 0.45 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.001 3.292 -3.319) 4.674 2.068 ( 1.433 -7.235 -3.000) 7.962 2.827 ( -11.333 1.913 -8.110) 14.067 2.852 ( -9.046 -0.314 -9.840) 13.370 3.062 ( 7.215 8.963 -7.165) 13.555 3.175 ( 8.726 -1.955 -7.512) 11.679 3.640 ( 8.014 6.856 -3.296) 11.050 3.754 ( 7.664 1.894 1.209) 7.986 3.817 ( -1.338 3.117 0.469) 3.424 3.820 ( 1.860 -4.802 5.421) 7.477 3.921 ( 3.491 -5.137 -0.249) 6.216 4.026 ( 2.969 -11.030 -2.254) 11.642 4.200 ( -2.036 3.614 11.924) 12.625 4.287 ( -1.916 -4.436 11.049) 12.060 4.488 ( -2.882 7.814 9.048) 12.298 4.650 ( -2.662 2.292 4.435) 5.658 4.707 ( -3.924 -0.899 -0.080) 4.026 4.927 ( -2.702 -10.636 -3.479) 11.512 5.011 ( 1.604 7.004 4.197) 8.321 5.103 ( -3.603 -0.656 -0.235) 3.670 5.187 ( -4.776 -3.551 4.416) 7.410 5.257 ( -1.701 -7.256 1.260) 7.558 5.583 ( 1.427 6.020 0.070) 6.187 5.595 ( -0.937 3.767 5.465) 6.703 5.771 ( 10.853 7.330 -0.983) 13.133 5.827 ( 3.016 5.558 -4.359) 7.680 5.920 ( 2.976 -4.325 -2.871) 5.984 6.005 ( 4.981 -9.372 1.785) 10.762 6.152 ( -2.005 4.475 0.474) 4.926 6.252 ( -6.735 0.168 -3.555) 7.617 6.292 ( -2.774 -2.469 -4.056) 5.499 6.321 ( -1.781 0.952 -1.705) 2.643 6.428 ( 11.917 8.079 -6.445) 15.775 6.593 ( 6.508 -5.070 -0.357) 8.258 6.646 ( 1.673 0.122 -9.640) 9.785 6.657 ( -1.225 -2.253 -0.405) 2.596 6.763 ( -2.919 -2.334 -1.410) 3.995 6.802 ( -4.412 -5.137 -8.867) 11.157 7.137 ( 3.214 0.789 1.212) 3.524 7.155 ( 5.855 -1.216 2.082) 6.332 7.357 ( 5.350 2.752 3.103) 6.769 7.407 ( 0.249 -3.382 2.794) 4.394 7.555 ( -6.491 9.606 -5.167) 12.693 7.593 ( 1.832 4.571 2.526) 5.535 7.686 ( 5.828 0.213 4.982) 7.670 7.779 ( 3.019 -7.053 0.778) 7.712 7.905 ( -0.393 2.890 0.522) 2.963 7.947 ( -0.413 0.782 0.632) 1.087 8.029 ( -6.880 -2.806 3.463) 8.198 8.068 ( -5.116 -4.223 4.446) 7.986 8.532 ( 0.547 2.826 3.349) 4.416 8.587 ( -1.084 -2.339 3.799) 4.591 8.800 ( -3.252 -0.460 0.161) 3.289 8.808 ( -0.142 -0.509 -1.139) 1.256 8.946 ( 0.137 4.919 -6.497) 8.150 9.019 ( -0.132 -2.122 -5.844) 6.219 9.353 ( 8.191 4.417 1.595) 9.442 9.445 ( 7.343 -4.131 0.549) 8.443 9.626 ( -12.664 7.116 3.520) 14.947 9.744 ( -13.858 -4.702 2.400) 14.829 16.721 ( 0.451 1.345 -0.040) 1.420 16.746 ( 0.704 -1.236 0.335) 1.461 16.810 ( -0.323 1.566 -2.292) 2.795 16.833 ( 0.046 -0.802 -2.040) 2.192 17.018 ( -1.657 1.099 1.455) 2.463 17.042 ( -2.000 -1.418 1.268) 2.760 17.155 ( 0.525 1.099 -0.677) 1.394 17.184 ( 0.331 -1.788 -1.182) 2.169 22.553 ( -0.124 0.352 0.005) 0.373 22.557 ( -0.116 -0.025 -0.113) 0.163 22.777 ( 0.193 0.316 -0.128) 0.392 22.784 ( -0.167 -0.330 -0.186) 0.414 26.444 ( 0.161 0.197 0.560) 0.615 26.450 ( 0.060 -0.350 0.770) 0.848 26.505 ( 0.043 0.341 -1.400) 1.441 26.514 ( 0.341 -0.517 -1.251) 1.396 35.535 ( 1.271 0.310 4.228) 4.426 35.579 ( 1.019 -4.510 3.547) 5.827 36.140 ( -4.360 4.581 7.488) 9.801 36.253 ( -2.428 -6.599 6.726) 9.730 36.677 ( 7.754 15.211 -7.027) 18.462 36.980 ( 9.558 -15.629 -10.279) 21.006 37.522 ( -1.069 11.660 1.034) 11.754 37.733 ( -3.543 -10.204 -2.285) 11.040 ======================= Grid point 193 (108/136) ======================= q-point: (-0.45 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 0.954 5.471 3.995) 6.841 2.102 ( 3.324 -7.263 0.281) 7.992 2.540 ( -12.714 1.851 -7.179) 14.718 2.580 ( -11.349 -1.784 -7.029) 13.468 3.078 ( 0.965 9.949 -2.734) 10.363 3.221 ( 8.738 0.431 -9.323) 12.785 3.567 ( -18.646 0.290 -0.306) 18.651 3.678 ( -2.268 -3.109 1.442) 4.110 3.801 ( -5.107 -3.409 -0.021) 6.140 3.880 ( -2.994 -6.530 -1.768) 7.398 4.017 ( 11.288 3.970 -0.025) 11.965 4.087 ( 8.744 -3.017 0.148) 9.251 4.374 ( 2.772 4.533 6.338) 8.270 4.429 ( 7.137 2.462 3.461) 8.305 4.558 ( 1.641 4.416 6.334) 7.894 4.679 ( 4.222 2.228 2.513) 5.395 4.752 ( 3.882 -6.756 4.277) 8.889 4.815 ( -2.481 -12.481 -7.270) 14.655 5.048 ( -3.439 9.193 3.371) 10.378 5.115 ( 2.184 2.920 3.452) 5.021 5.165 ( -5.577 -4.585 6.433) 9.670 5.267 ( 1.162 -9.207 4.747) 10.424 5.572 ( -6.756 8.543 1.575) 11.004 5.657 ( 0.656 1.277 2.751) 3.103 5.757 ( -2.828 4.526 -0.647) 5.376 5.802 ( -7.156 0.759 -4.539) 8.509 5.937 ( 5.741 2.848 -2.620) 6.923 6.046 ( -2.106 4.031 -1.557) 4.807 6.111 ( -4.661 -3.770 -1.286) 6.131 6.166 ( 3.150 -4.058 0.958) 5.225 6.185 ( -1.949 1.212 -4.715) 5.244 6.272 ( -4.700 -1.356 2.797) 5.635 6.478 ( -6.968 4.541 -6.467) 10.535 6.550 ( -3.723 -3.391 -6.571) 8.279 6.608 ( 0.494 2.350 -4.744) 5.318 6.656 ( -0.184 -2.909 -1.375) 3.223 6.695 ( 6.376 -0.491 -1.669) 6.609 6.770 ( 7.057 -4.455 -2.642) 8.754 7.198 ( -1.452 1.950 2.124) 3.228 7.272 ( -0.886 -5.013 2.204) 5.547 7.349 ( -0.355 3.563 -0.590) 3.629 7.408 ( 2.556 0.196 -0.721) 2.662 7.480 ( -2.872 -1.352 2.475) 4.025 7.537 ( -4.794 -2.909 -2.683) 6.217 7.758 ( -6.529 0.124 1.217) 6.643 7.786 ( 0.004 -0.404 2.872) 2.901 7.862 ( -4.036 2.729 0.301) 4.881 7.921 ( 0.581 -3.799 1.688) 4.198 8.129 ( 7.565 4.898 3.908) 9.823 8.147 ( 7.916 2.991 2.801) 8.914 8.584 ( 1.162 -0.188 2.531) 2.791 8.589 ( -2.093 -0.979 0.974) 2.508 8.757 ( -1.136 1.626 -0.111) 1.987 8.824 ( 0.754 -5.419 1.721) 5.736 8.917 ( 4.596 5.549 -6.274) 9.554 8.986 ( 2.886 -1.447 -5.083) 6.022 9.377 ( -9.569 3.618 0.759) 10.259 9.439 ( -7.001 -1.891 0.550) 7.272 9.655 ( 10.292 3.929 2.998) 11.417 9.735 ( 14.118 -3.739 1.939) 14.733 16.725 ( -0.309 1.564 0.537) 1.682 16.752 ( -0.679 -1.176 0.706) 1.531 16.791 ( 1.151 1.945 -2.493) 3.365 16.821 ( 1.380 -1.135 -2.221) 2.851 17.018 ( -0.754 0.891 1.669) 2.037 17.036 ( -0.312 -1.026 1.246) 1.644 17.160 ( 0.914 0.161 -0.425) 1.021 17.175 ( 0.397 -1.262 -1.320) 1.869 22.552 ( -0.005 0.323 0.027) 0.324 22.556 ( 0.154 0.010 -0.074) 0.171 22.780 ( 0.033 0.058 -0.223) 0.232 22.782 ( 0.368 -0.096 -0.112) 0.397 26.448 ( -0.642 0.247 0.735) 1.007 26.455 ( -0.605 -0.457 0.968) 1.230 26.495 ( 0.517 0.488 -1.363) 1.538 26.507 ( 0.469 -0.715 -1.406) 1.645 35.589 ( -0.125 -0.506 3.599) 3.637 35.623 ( 0.415 -4.121 1.991) 4.596 36.130 ( -6.623 5.909 7.057) 11.340 36.264 ( -4.822 -7.119 6.061) 10.520 36.702 ( 3.320 13.797 -5.269) 15.138 36.978 ( 6.689 -13.245 -13.421) 20.007 37.514 ( -5.020 5.832 5.044) 9.201 37.635 ( -4.489 -6.000 -2.056) 7.770 ======================= Grid point 194 (109/136) ======================= q-point: (-0.36 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( 2.558 4.913 1.422) 5.719 2.098 ( -1.965 -0.732 -5.424) 5.815 2.321 ( -10.062 4.289 3.240) 11.407 2.442 ( -6.975 -7.117 11.390) 15.134 3.016 ( -10.252 11.540 3.222) 15.769 3.241 ( -14.553 10.868 -3.044) 18.417 3.273 ( 3.415 -8.851 -4.113) 10.340 3.566 ( -4.812 -16.452 -5.453) 17.988 3.790 ( -4.007 4.295 -2.503) 6.385 3.840 ( 2.053 -2.748 4.242) 5.456 4.122 ( 2.870 1.846 -7.318) 8.074 4.152 ( 3.152 -2.895 -2.300) 4.859 4.416 ( -0.425 3.336 0.839) 3.466 4.518 ( 0.691 -3.514 -3.199) 4.802 4.654 ( 2.337 1.289 6.969) 7.462 4.760 ( 2.052 -9.362 1.315) 9.674 4.813 ( 13.030 6.785 -3.649) 15.137 4.887 ( 0.106 3.426 4.981) 6.046 5.007 ( -4.380 -0.400 3.544) 5.649 5.044 ( -12.200 -1.417 3.385) 12.740 5.221 ( 2.229 7.025 -0.925) 7.428 5.354 ( 4.623 -3.855 -2.809) 6.643 5.411 ( -8.250 8.392 2.156) 11.964 5.559 ( -7.869 -5.737 0.435) 9.748 5.720 ( -3.692 4.205 -1.171) 5.717 5.770 ( -0.591 2.717 0.441) 2.815 5.885 ( -0.005 -1.733 -4.170) 4.516 5.984 ( -5.015 -8.799 -3.176) 10.615 6.090 ( 2.962 5.148 0.400) 5.953 6.173 ( 2.119 -0.651 2.606) 3.421 6.229 ( -6.259 1.392 4.168) 7.648 6.242 ( -1.074 -0.742 4.825) 4.998 6.312 ( -3.513 8.938 -2.930) 10.040 6.431 ( -4.459 -4.932 4.218) 7.874 6.518 ( -2.509 -3.965 -5.862) 7.509 6.622 ( -2.209 -7.439 -1.854) 7.978 6.788 ( 3.050 1.526 -2.440) 4.194 6.846 ( 3.976 -3.187 -2.960) 5.893 7.149 ( -5.673 -2.045 -2.015) 6.359 7.165 ( -0.494 -1.904 -1.163) 2.285 7.334 ( -6.772 2.938 -1.933) 7.631 7.376 ( -9.693 -0.710 -1.325) 9.809 7.496 ( 5.478 2.872 5.724) 8.428 7.570 ( 1.361 -2.471 4.184) 5.046 7.647 ( -5.102 5.388 -1.773) 7.630 7.716 ( -4.475 -1.791 -0.961) 4.915 7.900 ( 3.066 2.298 3.120) 4.942 7.982 ( 2.816 -5.167 2.426) 6.366 8.210 ( 4.595 7.313 -2.260) 8.927 8.339 ( 10.934 -3.019 -1.404) 11.429 8.556 ( -2.080 2.051 -0.934) 3.066 8.607 ( -0.941 -0.368 2.653) 2.839 8.759 ( 0.730 3.470 0.422) 3.571 8.857 ( 0.836 -5.422 1.452) 5.675 8.940 ( 4.518 4.434 -4.388) 7.702 8.988 ( 2.269 1.469 -2.481) 3.669 9.269 ( -3.302 0.327 0.193) 3.324 9.333 ( -3.911 -4.566 0.439) 6.028 9.927 ( 17.962 7.467 1.784) 19.534 10.046 ( 19.927 -4.804 2.094) 20.605 16.720 ( -0.911 1.257 0.255) 1.573 16.737 ( -1.543 -0.621 -0.127) 1.668 16.796 ( 2.092 2.277 -1.494) 3.434 16.833 ( 2.301 -1.548 -1.183) 3.015 17.026 ( 0.146 1.104 1.320) 1.727 17.056 ( 0.626 -1.817 1.668) 2.545 17.168 ( 0.993 0.303 -0.906) 1.378 17.181 ( 1.410 -1.005 -0.289) 1.755 22.555 ( 0.292 0.444 0.161) 0.555 22.561 ( 0.502 -0.084 -0.015) 0.509 22.778 ( 0.084 0.508 -0.324) 0.608 22.788 ( 0.529 -0.511 -0.155) 0.751 26.440 ( -1.054 0.488 0.421) 1.235 26.451 ( -0.977 -0.652 0.687) 1.361 26.493 ( 0.523 0.157 -0.764) 0.939 26.499 ( 0.156 -0.430 -1.126) 1.216 35.597 ( -1.496 -0.483 -0.130) 1.577 35.628 ( -1.011 -3.446 -0.021) 3.592 36.078 ( -8.509 5.882 6.497) 12.215 36.222 ( -8.526 -8.029 6.004) 13.161 36.664 ( -0.626 13.363 -6.057) 14.685 36.930 ( 3.527 -13.278 -11.690) 18.038 37.437 ( -8.530 7.673 3.420) 11.972 37.591 ( -3.470 -8.230 4.396) 9.955 ======================= Grid point 195 (110/136) ======================= q-point: (-0.27 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -4.874 6.274 -4.152) 8.964 2.071 ( 0.368 -4.415 -1.705) 4.747 2.333 ( -3.569 10.691 16.809) 20.238 2.505 ( -5.877 -7.027 15.180) 17.730 2.787 ( -24.216 13.081 7.893) 28.633 2.995 ( -14.373 -4.132 3.210) 15.295 3.329 ( 6.884 -0.385 -5.687) 8.938 3.481 ( 2.298 -13.109 -6.819) 14.954 3.636 ( -7.165 11.645 -9.420) 16.603 3.860 ( -1.875 -10.283 -5.878) 11.992 4.065 ( -4.141 6.236 -2.250) 7.816 4.159 ( 3.665 -4.284 3.085) 6.427 4.381 ( -3.533 2.100 1.174) 4.274 4.464 ( -1.054 -4.946 -5.363) 7.371 4.696 ( -12.584 4.181 1.265) 13.321 4.768 ( -14.846 -0.655 4.588) 15.553 4.833 ( -0.257 -0.865 4.751) 4.836 4.862 ( -0.618 -3.285 3.666) 4.961 4.978 ( 10.786 5.919 -5.479) 13.468 5.054 ( 5.783 -0.930 -1.921) 6.164 5.219 ( 1.799 10.241 -1.549) 10.512 5.369 ( 4.698 -2.535 -7.778) 9.434 5.418 ( 2.691 1.318 2.783) 4.090 5.518 ( -1.693 -9.954 4.550) 11.075 5.621 ( -4.616 6.594 0.152) 8.050 5.724 ( -4.599 1.229 0.247) 4.767 5.849 ( -2.459 -1.885 -2.224) 3.814 5.922 ( -0.244 -6.839 -4.037) 7.945 6.084 ( -3.716 4.210 -6.437) 8.542 6.107 ( -3.309 5.052 -1.708) 6.276 6.239 ( -1.143 1.148 4.688) 4.960 6.254 ( -1.669 -0.391 8.192) 8.369 6.337 ( -2.271 -0.111 4.775) 5.289 6.474 ( 1.504 -7.598 -1.547) 7.899 6.538 ( 3.300 -1.575 10.195) 10.831 6.567 ( -2.241 -7.565 3.653) 8.694 6.728 ( -4.015 2.783 -1.870) 5.231 6.802 ( -2.240 -5.105 -5.658) 7.943 7.087 ( -3.916 5.754 0.125) 6.962 7.169 ( -10.344 0.522 -3.788) 11.028 7.200 ( 4.367 -2.260 -1.025) 5.022 7.231 ( 0.772 -1.471 -2.925) 3.364 7.508 ( -4.545 1.830 -1.741) 5.200 7.544 ( -3.618 -0.620 -2.191) 4.275 7.659 ( 2.725 2.106 2.518) 4.267 7.702 ( 0.340 -2.139 1.625) 2.707 7.991 ( 3.822 2.867 3.175) 5.737 8.033 ( 1.261 0.019 0.170) 1.273 8.215 ( 1.377 8.003 -4.428) 9.249 8.434 ( 1.406 -10.390 -7.053) 12.637 8.541 ( 3.283 4.189 3.292) 6.258 8.603 ( -2.646 -1.137 0.651) 2.952 8.807 ( 3.067 5.851 4.607) 8.054 8.866 ( -1.667 0.900 3.134) 3.662 8.979 ( 4.175 0.679 -1.489) 4.484 9.017 ( 3.302 1.539 -0.268) 3.653 9.265 ( 1.924 -1.666 0.321) 2.565 9.339 ( 3.488 -6.183 -0.615) 7.126 10.220 ( 17.394 9.799 -1.766) 20.042 10.371 ( 19.394 -5.833 -2.091) 20.359 16.702 ( -1.674 0.380 -0.406) 1.764 16.705 ( -1.511 0.059 -0.401) 1.564 16.819 ( 1.773 2.563 -0.464) 3.151 16.863 ( 2.237 -1.943 -0.434) 2.994 17.057 ( 1.752 1.069 1.781) 2.718 17.089 ( 1.169 -2.232 1.968) 3.198 17.182 ( 1.731 1.131 -0.574) 2.146 17.203 ( 1.720 -1.124 -0.392) 2.092 22.565 ( 0.566 0.419 0.155) 0.721 22.570 ( 0.795 -0.069 -0.230) 0.831 22.778 ( 0.327 0.987 -0.170) 1.054 22.796 ( 0.686 -0.860 -0.096) 1.104 26.426 ( -0.953 0.651 0.102) 1.159 26.440 ( -0.909 -0.775 0.057) 1.196 26.491 ( -0.087 0.083 -0.055) 0.133 26.495 ( 0.172 -0.264 0.133) 0.342 35.539 ( -2.905 1.383 -3.477) 4.738 35.593 ( -2.257 -3.945 -1.702) 4.853 36.005 ( -8.780 3.948 6.071) 11.381 36.124 ( -11.794 -7.803 7.125) 15.835 36.565 ( -2.836 13.014 -6.892) 14.997 36.811 ( -4.929 -12.112 -9.655) 16.255 37.378 ( -3.254 9.482 4.172) 10.859 37.582 ( -5.521 -11.794 7.000) 14.785 ======================= Grid point 196 (111/136) ======================= q-point: (-0.18 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( -8.322 12.241 2.505) 15.013 2.059 ( -3.539 -9.139 3.450) 10.390 2.451 ( -8.801 2.547 14.048) 16.772 2.484 ( -25.205 12.573 15.222) 32.017 2.555 ( 0.359 4.566 6.660) 8.083 2.831 ( -11.365 -9.196 6.021) 15.811 3.321 ( -2.587 6.710 -3.960) 8.209 3.442 ( -0.628 3.628 -6.514) 7.483 3.482 ( 6.147 -5.877 -10.031) 13.151 3.674 ( -4.112 -12.326 -14.510) 19.478 4.059 ( -4.224 15.596 13.252) 20.897 4.265 ( -1.809 -0.590 -4.187) 4.600 4.299 ( -4.086 -3.893 3.839) 6.826 4.366 ( -3.100 -7.127 -6.106) 9.883 4.529 ( -6.001 0.680 0.358) 6.050 4.600 ( -2.820 -4.584 3.229) 6.276 4.877 ( -0.273 4.477 2.161) 4.979 4.960 ( 1.666 -3.510 4.091) 5.642 5.027 ( 5.127 5.387 -5.478) 9.236 5.120 ( 3.273 -3.502 -3.669) 6.036 5.249 ( 3.293 7.254 -0.278) 7.971 5.371 ( 2.927 -4.559 -1.566) 5.639 5.469 ( -2.803 2.610 5.601) 6.785 5.556 ( -0.703 -5.020 5.576) 7.535 5.625 ( 0.481 3.087 4.344) 5.351 5.693 ( -2.554 0.636 5.311) 5.928 5.762 ( -2.751 2.944 -2.504) 4.744 5.840 ( -4.621 -7.580 -2.903) 9.340 5.959 ( -1.454 1.674 -7.965) 8.268 6.027 ( -0.906 -0.250 -5.630) 5.708 6.235 ( -9.339 1.005 5.535) 10.903 6.291 ( -9.506 -4.744 0.958) 10.667 6.325 ( 4.266 1.006 0.475) 4.409 6.429 ( 2.075 -8.193 -1.259) 8.545 6.512 ( -3.415 6.375 -2.862) 7.778 6.646 ( -2.250 -7.663 -4.070) 8.964 6.741 ( 1.680 5.012 4.625) 7.023 6.806 ( 2.405 -1.876 4.975) 5.836 6.970 ( -3.810 4.482 -3.082) 6.641 7.053 ( 0.851 -2.320 -3.656) 4.413 7.270 ( 3.590 1.146 2.106) 4.317 7.301 ( 5.735 -0.732 2.305) 6.224 7.429 ( -1.159 -0.301 -3.334) 3.543 7.458 ( -2.344 -3.796 -3.597) 5.731 7.693 ( -0.211 -0.276 0.927) 0.990 7.720 ( -0.890 -2.493 1.613) 3.100 8.009 ( -1.528 5.543 -3.547) 6.756 8.058 ( 0.446 0.004 0.144) 0.469 8.219 ( 3.180 6.937 0.619) 7.657 8.350 ( -1.122 -2.944 -3.078) 4.404 8.511 ( -4.734 6.109 0.933) 7.785 8.672 ( 3.328 -10.920 2.674) 11.724 8.883 ( -0.884 5.145 4.595) 6.954 8.929 ( 3.163 4.770 4.249) 7.129 9.031 ( 3.942 2.748 -0.475) 4.828 9.105 ( 3.880 0.064 6.663) 7.710 9.316 ( 3.932 -2.613 -0.651) 4.766 9.397 ( 4.341 -7.445 -0.440) 8.629 10.411 ( 12.280 11.017 -8.154) 18.403 10.582 ( 13.956 -6.527 -10.180) 18.466 16.665 ( -1.881 1.010 -0.100) 2.137 16.685 ( -1.187 -0.970 0.478) 1.606 16.835 ( 0.773 2.616 -0.599) 2.793 16.885 ( 1.137 -2.472 -0.830) 2.845 17.116 ( 2.504 0.813 2.147) 3.398 17.133 ( 1.437 -1.007 1.845) 2.547 17.210 ( 2.250 1.180 -0.015) 2.540 17.232 ( 2.459 -1.103 -0.090) 2.697 22.571 ( 0.302 0.507 -0.488) 0.766 22.580 ( 0.849 -0.390 -0.598) 1.110 22.788 ( 0.894 1.285 0.331) 1.599 22.809 ( 0.913 -0.915 0.198) 1.308 26.411 ( -0.855 0.574 -0.074) 1.033 26.423 ( -0.888 -0.637 -0.341) 1.145 26.500 ( 0.373 0.270 1.279) 1.359 26.505 ( 0.344 -0.236 1.125) 1.200 35.455 ( -3.036 2.565 -1.806) 4.366 35.527 ( -3.153 -4.665 -1.726) 5.890 35.928 ( -8.063 3.075 5.128) 10.039 36.019 ( -10.106 -6.006 6.984) 13.674 36.433 ( -5.023 9.599 -5.761) 12.270 36.589 ( -9.888 -5.962 -8.063) 14.083 37.405 ( 0.365 4.759 3.990) 6.221 37.560 ( -6.005 -11.086 6.509) 14.189 ======================= Grid point 197 (112/136) ======================= q-point: (-0.09 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 232 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -7.402 17.159 6.755) 19.871 2.035 ( -6.677 -10.229 9.225) 15.307 2.254 ( -19.052 10.309 13.728) 25.646 2.383 ( -14.904 -3.892 11.192) 19.040 2.666 ( 3.712 5.618 1.231) 6.846 2.795 ( -2.401 -4.708 8.744) 10.217 3.259 ( -0.974 8.210 -1.584) 8.418 3.403 ( 5.578 5.339 -10.542) 13.067 3.490 ( -1.454 -11.850 -7.615) 14.161 3.519 ( 7.835 -7.336 -3.913) 11.425 4.047 ( -9.738 4.036 -7.019) 12.665 4.106 ( -6.945 4.899 3.158) 9.067 4.251 ( -0.374 -1.947 0.827) 2.148 4.338 ( -0.594 -3.792 -1.111) 3.996 4.538 ( 2.508 4.468 2.977) 5.926 4.697 ( 3.721 -3.759 9.097) 10.523 4.891 ( 3.114 2.893 -4.295) 6.042 4.962 ( 0.392 -3.050 -3.875) 4.947 5.038 ( -0.712 3.640 1.261) 3.917 5.125 ( 3.543 -3.867 -2.818) 5.954 5.287 ( 0.258 2.848 0.806) 2.971 5.385 ( -3.210 -6.355 2.434) 7.524 5.513 ( -1.138 8.340 8.765) 12.152 5.577 ( -3.033 2.083 4.157) 5.551 5.636 ( -2.800 2.008 1.593) 3.796 5.669 ( -5.409 5.067 4.685) 8.768 5.741 ( -5.957 -8.907 1.637) 10.840 5.843 ( 2.130 -11.657 1.464) 11.940 5.878 ( 4.451 3.575 -6.593) 8.722 5.995 ( 3.546 -3.814 1.502) 5.420 6.115 ( -9.755 -2.833 0.513) 10.171 6.135 ( -6.920 -2.313 3.974) 8.308 6.342 ( 2.211 6.912 -6.889) 10.007 6.462 ( 1.758 -3.614 -2.813) 4.906 6.484 ( 5.292 3.884 -5.080) 8.300 6.557 ( 1.382 -1.038 -9.829) 9.980 6.741 ( -2.943 0.660 3.105) 4.328 6.813 ( -2.946 -2.108 -2.268) 4.274 6.939 ( 1.337 4.179 -3.025) 5.329 7.058 ( 2.462 -6.794 -5.040) 8.810 7.320 ( 0.146 1.135 -1.330) 1.755 7.364 ( 0.342 -4.560 -4.168) 6.187 7.436 ( 0.663 1.312 3.415) 3.718 7.459 ( 4.274 0.495 4.891) 6.514 7.677 ( -4.952 -2.411 5.203) 7.577 7.714 ( -0.988 -4.346 -0.185) 4.461 7.943 ( -0.332 4.448 -4.576) 6.390 8.005 ( -1.963 -2.133 -4.395) 5.265 8.333 ( 5.596 8.912 5.210) 11.742 8.381 ( 3.025 2.869 4.201) 5.918 8.494 ( -0.526 5.774 5.281) 7.842 8.721 ( 0.426 -14.316 2.071) 14.472 8.913 ( -0.653 6.928 3.027) 7.589 8.966 ( 0.438 3.464 -0.896) 3.605 9.087 ( 1.371 5.173 0.972) 5.439 9.239 ( -1.042 -7.125 7.975) 10.745 9.373 ( 4.451 1.878 2.413) 5.400 9.488 ( 5.016 -7.508 4.215) 9.965 10.428 ( 4.889 10.189 -14.637) 18.492 10.582 ( 5.044 -5.533 -18.535) 19.990 16.650 ( -0.354 1.594 1.064) 1.949 16.682 ( -0.462 -1.696 1.783) 2.504 16.827 ( -0.174 2.642 -1.713) 3.153 16.880 ( 0.068 -2.690 -1.949) 3.323 17.160 ( 0.577 0.227 0.896) 1.090 17.163 ( 0.509 -0.049 0.849) 0.991 17.259 ( 2.770 1.417 1.467) 3.440 17.282 ( 2.466 -0.969 1.325) 2.962 22.565 ( -0.047 0.680 -0.822) 1.068 22.580 ( 0.286 -0.862 -1.124) 1.445 22.811 ( 1.122 1.105 0.643) 1.701 22.827 ( 0.870 -0.628 0.359) 1.131 26.399 ( -0.576 0.422 -0.030) 0.714 26.408 ( -0.468 -0.537 -0.296) 0.771 26.526 ( 0.704 0.281 1.800) 1.953 26.528 ( 0.592 0.108 1.636) 1.743 35.432 ( 0.096 2.005 2.655) 3.328 35.485 ( -1.623 -3.449 2.566) 4.595 35.862 ( -5.315 3.483 2.796) 6.942 35.942 ( -6.073 -4.595 2.259) 7.944 36.296 ( -5.940 5.349 -2.871) 8.494 36.365 ( -7.777 -1.435 -5.882) 9.856 37.456 ( 0.970 0.175 3.336) 3.479 37.534 ( -4.098 -7.785 4.362) 9.820 ======================= Grid point 231 (113/136) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -0.720 0.000 -22.430) 22.442 1.811 ( 0.720 0.000 22.430) 22.442 2.216 ( -1.795 0.000 -33.305) 33.353 2.216 ( 1.795 0.000 33.305) 33.353 2.912 ( -3.507 0.000 -1.631) 3.868 2.912 ( 3.507 0.000 1.631) 3.868 3.109 ( 6.198 0.000 -21.776) 22.641 3.109 ( -6.198 0.000 21.776) 22.641 3.774 ( 8.435 0.000 -6.990) 10.955 3.774 ( -8.435 0.000 6.990) 10.955 4.038 ( 3.332 0.000 -10.872) 11.372 4.038 ( -3.332 0.000 10.872) 11.372 4.445 ( -5.279 0.000 0.470) 5.300 4.445 ( 5.279 0.000 -0.470) 5.300 4.530 ( 9.641 0.000 -9.544) 13.566 4.530 ( -9.641 0.000 9.544) 13.566 4.751 ( 0.275 0.000 -14.136) 14.138 4.751 ( -0.275 0.000 14.136) 14.138 4.965 ( 3.079 0.000 -2.534) 3.988 4.965 ( -3.079 0.000 2.534) 3.988 5.182 ( -2.542 0.000 -3.382) 4.230 5.182 ( 2.542 0.000 3.382) 4.230 5.319 ( -1.245 0.000 -1.549) 1.987 5.319 ( 1.245 0.000 1.549) 1.987 5.583 ( 0.382 0.000 -2.160) 2.194 5.583 ( -0.382 0.000 2.160) 2.194 5.790 ( 5.369 0.000 -4.000) 6.695 5.790 ( -5.369 0.000 4.000) 6.695 5.971 ( -11.851 0.000 3.845) 12.459 5.971 ( 11.851 0.000 -3.845) 12.459 6.312 ( 3.003 0.000 -7.260) 7.857 6.312 ( -3.003 0.000 7.260) 7.857 6.593 ( 5.952 0.000 -5.741) 8.269 6.593 ( -5.952 0.000 5.741) 8.269 6.665 ( 6.839 0.000 -4.850) 8.384 6.665 ( -6.839 0.000 4.850) 8.384 7.028 ( 1.446 0.000 -2.333) 2.745 7.028 ( -1.446 0.000 2.333) 2.745 7.126 ( 1.680 0.000 -0.661) 1.805 7.126 ( -1.680 0.000 0.661) 1.805 7.423 ( -4.640 0.000 -0.335) 4.653 7.423 ( 4.640 0.000 0.335) 4.653 7.658 ( 0.385 0.000 -6.472) 6.483 7.658 ( -0.385 0.000 6.472) 6.483 7.757 ( 3.582 0.000 -1.878) 4.044 7.757 ( -3.582 0.000 1.878) 4.044 8.125 ( -2.453 0.000 -8.183) 8.543 8.125 ( 2.453 0.000 8.183) 8.543 8.131 ( -3.209 0.000 -4.565) 5.580 8.131 ( 3.209 0.000 4.565) 5.580 8.333 ( -6.903 0.000 -9.386) 11.651 8.333 ( 6.903 0.000 9.386) 11.651 8.658 ( -5.668 0.000 -0.573) 5.697 8.658 ( 5.668 0.000 0.573) 5.697 9.459 ( 5.844 0.000 -3.794) 6.968 9.459 ( -5.844 0.000 3.794) 6.968 9.749 ( -5.392 0.000 -2.266) 5.849 9.749 ( 5.392 0.000 2.266) 5.849 9.963 ( -7.137 0.000 -6.268) 9.498 9.963 ( 7.137 0.000 6.268) 9.498 16.637 ( -2.468 0.000 -2.064) 3.218 16.637 ( 2.468 0.000 2.064) 3.218 16.870 ( -1.010 0.000 -3.974) 4.100 16.870 ( 1.010 0.000 3.974) 4.100 17.168 ( 0.356 0.000 -0.397) 0.534 17.168 ( -0.356 0.000 0.397) 0.534 17.278 ( -1.214 0.000 -1.985) 2.326 17.278 ( 1.214 0.000 1.985) 2.326 22.572 ( -0.171 0.000 -1.486) 1.496 22.572 ( 0.171 0.000 1.486) 1.496 22.807 ( -0.713 0.000 -1.174) 1.374 22.807 ( 0.713 0.000 1.174) 1.374 26.410 ( 0.131 0.000 -1.144) 1.151 26.410 ( -0.131 0.000 1.144) 1.151 26.512 ( 0.101 0.000 -0.376) 0.389 26.512 ( -0.101 0.000 0.376) 0.389 35.653 ( -4.888 0.000 -6.862) 8.425 35.653 ( 4.888 0.000 6.862) 8.425 35.844 ( -5.379 0.000 -8.988) 10.475 35.844 ( 5.379 0.000 8.988) 10.475 36.001 ( 2.787 0.000 -7.940) 8.414 36.001 ( -2.787 0.000 7.940) 8.414 37.997 ( -7.826 0.000 -5.494) 9.562 37.997 ( 7.826 0.000 5.494) 9.562 ======================= Grid point 233 (114/136) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 6.582 0.000 -23.247) 24.161 1.816 ( 1.428 0.000 -27.355) 27.392 2.133 ( 9.502 0.000 12.292) 15.537 2.545 ( -2.323 0.000 25.384) 25.490 2.796 ( -3.052 0.000 -9.233) 9.725 2.959 ( 6.028 0.000 -4.891) 7.763 3.079 ( 24.494 0.000 -30.355) 39.005 3.312 ( 10.011 0.000 8.931) 13.416 3.709 ( -7.662 0.000 7.760) 10.906 3.790 ( -0.238 0.000 -0.463) 0.520 4.087 ( 12.977 0.000 -8.602) 15.569 4.175 ( -0.391 0.000 15.252) 15.257 4.396 ( -0.028 0.000 -0.527) 0.528 4.461 ( -0.616 0.000 -11.033) 11.050 4.484 ( -11.974 0.000 14.509) 18.812 4.582 ( 3.174 0.000 -1.878) 3.688 4.653 ( 4.386 0.000 0.960) 4.490 4.785 ( -4.410 0.000 -0.186) 4.414 4.953 ( -5.113 0.000 4.988) 7.144 4.957 ( -1.160 0.000 6.032) 6.142 5.136 ( 1.266 0.000 -1.791) 2.193 5.275 ( 2.640 0.000 3.775) 4.606 5.338 ( 0.963 0.000 0.582) 1.125 5.456 ( 7.086 0.000 7.225) 10.120 5.599 ( 5.300 0.000 -3.138) 6.159 5.612 ( 2.446 0.000 1.229) 2.737 5.708 ( -9.293 0.000 0.271) 9.297 5.840 ( 5.743 0.000 -3.615) 6.786 5.915 ( -1.332 0.000 7.913) 8.024 6.121 ( 10.836 0.000 -5.417) 12.115 6.308 ( 4.599 0.000 -4.787) 6.639 6.334 ( -6.452 0.000 7.571) 9.947 6.546 ( -1.331 0.000 -1.939) 2.352 6.586 ( -8.172 0.000 7.070) 10.806 6.597 ( 4.216 0.000 -9.415) 10.316 6.692 ( 4.506 0.000 -6.055) 7.548 6.949 ( -6.360 0.000 -4.440) 7.756 7.043 ( 0.506 0.000 3.352) 3.390 7.127 ( -0.746 0.000 -1.018) 1.262 7.139 ( 2.497 0.000 -0.156) 2.502 7.351 ( -2.875 0.000 1.003) 3.045 7.456 ( 1.006 0.000 -2.721) 2.901 7.634 ( 2.968 0.000 -3.462) 4.560 7.703 ( -0.258 0.000 1.784) 1.802 7.743 ( -4.635 0.000 -3.867) 6.036 7.749 ( -4.001 0.000 5.744) 7.000 8.016 ( -3.039 0.000 -2.332) 3.831 8.040 ( 3.169 0.000 -8.190) 8.782 8.082 ( -9.197 0.000 1.222) 9.277 8.235 ( -0.780 0.000 2.928) 3.030 8.262 ( 5.982 0.000 -0.192) 5.985 8.526 ( 3.463 0.000 8.129) 8.836 8.553 ( -6.349 0.000 0.708) 6.389 8.723 ( 2.319 0.000 -1.038) 2.541 9.301 ( -18.228 0.000 2.254) 18.367 9.460 ( -0.677 0.000 -2.036) 2.145 9.624 ( -4.917 0.000 -2.556) 5.542 9.752 ( -9.530 0.000 3.703) 10.224 9.858 ( 3.348 0.000 -8.118) 8.781 10.170 ( 6.926 0.000 9.510) 11.764 16.613 ( 1.632 0.000 -1.687) 2.348 16.730 ( 5.258 0.000 2.437) 5.795 16.806 ( -1.607 0.000 -4.078) 4.383 16.921 ( 0.451 0.000 3.455) 3.485 17.159 ( -1.429 0.000 0.595) 1.548 17.162 ( -0.550 0.000 -0.355) 0.654 17.208 ( -3.777 0.000 -2.535) 4.549 17.284 ( -2.468 0.000 1.523) 2.900 22.551 ( -0.459 0.000 -1.257) 1.338 22.583 ( -0.581 0.000 1.000) 1.157 22.778 ( -0.926 0.000 -1.461) 1.730 22.823 ( -0.001 0.000 0.825) 0.825 26.403 ( 0.419 0.000 -1.055) 1.135 26.424 ( 0.446 0.000 1.119) 1.204 26.509 ( 0.287 0.000 -0.747) 0.800 26.513 ( 0.033 0.000 -0.066) 0.074 35.505 ( -3.916 0.000 -5.948) 7.121 35.736 ( 1.719 0.000 -6.210) 6.443 35.782 ( 4.100 0.000 3.875) 5.641 36.011 ( 8.852 0.000 -7.636) 11.691 36.069 ( 3.423 0.000 9.640) 10.229 36.095 ( 9.644 0.000 8.075) 12.578 37.826 ( -7.380 0.000 -4.459) 8.622 38.198 ( 7.710 0.000 8.603) 11.553 ======================= Grid point 234 (115/136) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 14.870 0.000 -19.813) 24.772 1.686 ( 17.599 0.000 -23.623) 29.459 2.430 ( 9.489 0.000 13.077) 16.157 2.553 ( -5.644 0.000 -7.813) 9.638 2.736 ( -1.633 0.000 3.321) 3.701 3.035 ( 12.242 0.000 -8.725) 15.033 3.239 ( 32.412 0.000 -26.567) 41.909 3.594 ( 12.948 0.000 9.010) 15.774 3.698 ( -4.845 0.000 8.293) 9.605 3.799 ( -0.813 0.000 4.670) 4.740 4.163 ( 7.130 0.000 -12.261) 14.183 4.212 ( -0.751 0.000 -5.897) 5.944 4.332 ( -12.841 0.000 11.520) 17.251 4.427 ( 0.180 0.000 4.024) 4.028 4.527 ( -2.720 0.000 17.583) 17.793 4.570 ( -1.399 0.000 0.624) 1.532 4.707 ( 0.580 0.000 -7.564) 7.587 4.844 ( 10.771 0.000 5.527) 12.106 4.910 ( -6.679 0.000 5.682) 8.769 4.980 ( -1.102 0.000 0.893) 1.418 5.272 ( -6.130 0.000 -0.980) 6.208 5.292 ( 12.747 0.000 8.025) 15.063 5.316 ( -1.700 0.000 -2.071) 2.680 5.472 ( -13.234 0.000 -7.119) 15.027 5.580 ( 4.488 0.000 3.144) 5.480 5.651 ( 5.759 0.000 -6.809) 8.918 5.800 ( 7.153 0.000 12.095) 14.052 5.893 ( 3.821 0.000 -0.589) 3.866 5.997 ( 1.973 0.000 1.822) 2.686 6.125 ( 0.405 0.000 -11.155) 11.162 6.279 ( -4.137 0.000 4.668) 6.238 6.352 ( 3.944 0.000 -2.175) 4.504 6.527 ( -0.421 0.000 1.327) 1.392 6.544 ( 4.443 0.000 -11.275) 12.119 6.619 ( -1.682 0.000 10.765) 10.896 6.685 ( -0.180 0.000 -2.516) 2.523 6.838 ( -0.281 0.000 -2.678) 2.693 7.073 ( -2.454 0.000 1.265) 2.761 7.120 ( 1.760 0.000 2.307) 2.902 7.166 ( 1.685 0.000 -1.164) 2.048 7.368 ( 0.509 0.000 4.596) 4.624 7.411 ( -4.220 0.000 -4.418) 6.110 7.517 ( -4.501 0.000 -7.653) 8.879 7.661 ( -6.181 0.000 -2.148) 6.543 7.739 ( 0.904 0.000 1.990) 2.186 7.746 ( 7.795 0.000 -0.569) 7.816 7.909 ( -0.926 0.000 -7.393) 7.451 7.971 ( -8.628 0.000 2.064) 8.871 8.090 ( 3.322 0.000 0.066) 3.323 8.238 ( -0.956 0.000 0.476) 1.068 8.341 ( 3.436 0.000 0.508) 3.473 8.514 ( -1.176 0.000 4.675) 4.820 8.553 ( -2.994 0.000 -4.465) 5.376 8.717 ( -0.317 0.000 -2.355) 2.377 9.038 ( -15.589 0.000 5.590) 16.561 9.416 ( -2.953 0.000 -0.419) 2.983 9.538 ( -4.274 0.000 -0.652) 4.323 9.600 ( -9.305 0.000 -2.976) 9.769 9.811 ( -3.181 0.000 -1.910) 3.710 10.329 ( -2.769 0.000 11.971) 12.287 16.641 ( 3.637 0.000 -1.539) 3.949 16.738 ( -1.661 0.000 -3.577) 3.944 16.804 ( 1.263 0.000 -0.124) 1.269 16.939 ( -2.275 0.000 1.196) 2.570 17.133 ( -2.618 0.000 0.693) 2.708 17.141 ( -0.749 0.000 -0.870) 1.148 17.167 ( 0.884 0.000 1.101) 1.411 17.248 ( -3.622 0.000 1.730) 4.014 22.533 ( -0.368 0.000 -0.808) 0.888 22.574 ( -0.886 0.000 -0.173) 0.903 22.755 ( -0.176 0.000 -0.998) 1.014 22.826 ( -0.510 0.000 0.539) 0.742 26.402 ( 0.680 0.000 -0.782) 1.037 26.447 ( 0.872 0.000 1.088) 1.395 26.506 ( 0.361 0.000 -0.768) 0.849 26.512 ( 0.084 0.000 -0.460) 0.467 35.428 ( 0.186 0.000 -2.566) 2.573 35.757 ( 4.303 0.000 0.170) 4.307 35.869 ( 4.332 0.000 -0.100) 4.334 36.119 ( 12.909 0.000 -5.478) 14.023 36.186 ( 0.385 0.000 9.359) 9.367 36.405 ( 15.461 0.000 8.005) 17.411 37.656 ( -7.619 0.000 -5.249) 9.252 38.384 ( 2.160 0.000 8.651) 8.917 ======================= Grid point 235 (116/136) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 18.048 0.000 -15.176) 23.580 1.850 ( 25.156 0.000 -14.063) 28.820 2.396 ( -0.030 0.000 -10.014) 10.014 2.690 ( 5.668 0.000 11.799) 13.090 2.706 ( -0.031 0.000 -4.406) 4.406 3.117 ( 10.943 0.000 -13.989) 17.761 3.507 ( 23.217 0.000 -12.603) 26.417 3.726 ( -3.795 0.000 10.906) 11.548 3.858 ( 0.011 0.000 5.240) 5.240 3.863 ( 4.773 0.000 9.281) 10.436 4.088 ( 9.658 0.000 -17.303) 19.816 4.182 ( 6.305 0.000 -2.228) 6.687 4.284 ( -14.353 0.000 19.555) 24.257 4.364 ( -12.986 0.000 0.611) 13.001 4.602 ( -0.406 0.000 5.438) 5.453 4.678 ( 5.534 0.000 -2.625) 6.125 4.697 ( 1.808 0.000 13.478) 13.598 4.878 ( -4.448 0.000 3.778) 5.836 4.892 ( -3.473 0.000 -1.267) 3.697 5.104 ( -7.946 0.000 -4.887) 9.329 5.135 ( 12.167 0.000 4.434) 12.950 5.241 ( -1.892 0.000 -5.412) 5.733 5.253 ( 1.541 0.000 -11.095) 11.201 5.492 ( 3.376 0.000 -9.142) 9.745 5.623 ( 3.755 0.000 -9.987) 10.670 5.707 ( 4.792 0.000 5.987) 7.669 5.941 ( 0.615 0.000 -1.725) 1.831 5.951 ( 3.538 0.000 -0.528) 3.577 6.075 ( 1.571 0.000 9.116) 9.251 6.084 ( 5.669 0.000 8.757) 10.431 6.299 ( -2.604 0.000 5.334) 5.936 6.367 ( 2.213 0.000 -1.498) 2.672 6.508 ( 5.853 0.000 -13.098) 14.347 6.558 ( -0.827 0.000 3.719) 3.810 6.633 ( -3.654 0.000 0.482) 3.686 6.665 ( -2.674 0.000 3.364) 4.298 6.876 ( 4.568 0.000 -0.199) 4.572 7.052 ( -2.056 0.000 3.202) 3.805 7.136 ( -3.671 0.000 -6.979) 7.885 7.172 ( -0.967 0.000 1.052) 1.429 7.254 ( -2.005 0.000 0.881) 2.190 7.421 ( -3.347 0.000 4.844) 5.888 7.482 ( 3.169 0.000 -2.581) 4.087 7.527 ( -5.158 0.000 -2.345) 5.666 7.794 ( 1.922 0.000 -0.005) 1.922 7.835 ( 5.278 0.000 -5.627) 7.714 7.861 ( -1.642 0.000 -0.919) 1.882 7.910 ( 6.049 0.000 -0.045) 6.049 8.114 ( 2.268 0.000 -0.133) 2.272 8.211 ( -2.796 0.000 0.118) 2.799 8.368 ( 0.730 0.000 -1.381) 1.562 8.448 ( -1.035 0.000 -5.498) 5.595 8.617 ( 6.885 0.000 4.449) 8.198 8.649 ( -3.108 0.000 -5.521) 6.335 8.923 ( -11.069 0.000 10.126) 15.002 9.361 ( -6.230 0.000 1.215) 6.347 9.401 ( -6.855 0.000 -6.506) 9.451 9.467 ( -4.460 0.000 0.515) 4.489 9.719 ( -7.742 0.000 1.269) 7.845 10.311 ( -13.050 0.000 8.842) 15.764 16.670 ( 0.373 0.000 -2.535) 2.563 16.700 ( 2.396 0.000 -1.295) 2.724 16.775 ( -1.563 0.000 -3.088) 3.461 16.899 ( -3.039 0.000 0.723) 3.124 17.091 ( -3.476 0.000 0.948) 3.603 17.116 ( -0.908 0.000 -1.391) 1.661 17.218 ( -2.364 0.000 1.967) 3.076 17.220 ( 1.702 0.000 1.946) 2.585 22.523 ( -0.096 0.000 -0.338) 0.351 22.559 ( -0.376 0.000 -0.442) 0.580 22.751 ( 0.400 0.000 -0.321) 0.513 22.819 ( -0.764 0.000 0.252) 0.805 26.410 ( 1.063 0.000 -0.399) 1.135 26.472 ( 0.698 0.000 1.100) 1.302 26.506 ( 0.413 0.000 -0.369) 0.554 26.506 ( 0.150 0.000 -0.799) 0.813 35.457 ( 3.937 0.000 1.559) 4.235 35.857 ( 5.201 0.000 3.616) 6.334 35.916 ( 3.630 0.000 -3.202) 4.840 36.267 ( -1.741 0.000 7.570) 7.767 36.292 ( 12.204 0.000 -0.544) 12.216 36.737 ( 14.898 0.000 7.936) 16.880 37.475 ( -6.880 0.000 -6.258) 9.301 38.402 ( -6.340 0.000 0.652) 6.373 ======================= Grid point 236 (117/136) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 16.235 0.000 -11.242) 19.748 2.092 ( 17.457 0.000 -10.017) 20.127 2.369 ( 5.872 0.000 -4.456) 7.371 2.710 ( 7.051 0.000 -3.075) 7.693 2.808 ( -4.877 0.000 5.906) 7.659 3.077 ( 3.986 0.000 -13.155) 13.746 3.595 ( 4.249 0.000 -9.403) 10.318 3.789 ( -6.537 0.000 14.773) 16.155 3.860 ( -1.875 0.000 2.610) 3.214 3.922 ( -0.398 0.000 0.478) 0.622 4.215 ( -5.550 0.000 7.361) 9.219 4.262 ( -13.557 0.000 18.833) 23.205 4.275 ( 23.854 0.000 -7.870) 25.119 4.354 ( 8.524 0.000 3.250) 9.122 4.634 ( -1.341 0.000 -0.264) 1.367 4.692 ( -12.999 0.000 11.143) 17.122 4.762 ( -1.240 0.000 -6.181) 6.304 4.880 ( -2.041 0.000 10.679) 10.872 4.912 ( 11.657 0.000 -0.213) 11.659 5.019 ( 5.144 0.000 -3.541) 6.245 5.101 ( -2.907 0.000 -12.446) 12.781 5.243 ( 9.256 0.000 -12.909) 15.885 5.328 ( 5.138 0.000 0.907) 5.217 5.419 ( 3.974 0.000 -3.722) 5.445 5.552 ( 3.279 0.000 -9.948) 10.475 5.803 ( -1.830 0.000 0.889) 2.035 5.935 ( 3.514 0.000 0.701) 3.583 5.992 ( 0.084 0.000 0.584) 0.590 6.180 ( 0.388 0.000 4.164) 4.182 6.230 ( 0.074 0.000 3.302) 3.302 6.320 ( 2.753 0.000 5.523) 6.171 6.338 ( -11.031 0.000 -0.090) 11.032 6.473 ( -7.088 0.000 -5.533) 8.992 6.505 ( 7.539 0.000 -6.927) 10.238 6.686 ( 0.230 0.000 3.443) 3.450 6.715 ( 11.703 0.000 7.034) 13.654 6.909 ( -6.982 0.000 -9.356) 11.674 6.914 ( -0.365 0.000 -1.140) 1.197 7.124 ( 2.776 0.000 4.781) 5.528 7.130 ( -7.728 0.000 4.070) 8.734 7.308 ( 2.116 0.000 3.439) 4.038 7.329 ( -4.698 0.000 2.001) 5.107 7.516 ( 0.581 0.000 -0.643) 0.867 7.521 ( 3.126 0.000 -0.967) 3.272 7.758 ( -1.168 0.000 -1.233) 1.698 7.863 ( 2.830 0.000 -2.556) 3.814 7.936 ( 6.028 0.000 -1.456) 6.202 7.972 ( 1.733 0.000 1.723) 2.443 8.173 ( -0.370 0.000 -0.112) 0.386 8.248 ( 10.734 0.000 3.033) 11.155 8.351 ( -4.584 0.000 -7.718) 8.977 8.353 ( 0.220 0.000 -2.043) 2.055 8.548 ( -2.801 0.000 -1.183) 3.041 8.774 ( 8.258 0.000 -0.357) 8.265 8.867 ( -7.671 0.000 7.570) 10.778 9.136 ( -13.450 0.000 -5.145) 14.401 9.384 ( 3.680 0.000 1.283) 3.898 9.415 ( -2.612 0.000 0.851) 2.747 9.598 ( -8.946 0.000 1.840) 9.133 10.119 ( -18.398 0.000 3.911) 18.809 16.644 ( 0.027 0.000 -1.424) 1.424 16.718 ( -1.547 0.000 -2.657) 3.075 16.742 ( 3.125 0.000 -0.621) 3.186 16.860 ( -2.703 0.000 0.459) 2.742 17.052 ( -2.865 0.000 1.658) 3.310 17.084 ( -0.581 0.000 -2.269) 2.342 17.212 ( -0.935 0.000 1.629) 1.878 17.242 ( -0.224 0.000 0.354) 0.419 22.523 ( 0.211 0.000 0.060) 0.219 22.551 ( -0.303 0.000 -0.306) 0.431 22.759 ( 0.712 0.000 0.105) 0.720 22.807 ( -0.870 0.000 -0.031) 0.870 26.425 ( 1.170 0.000 -0.078) 1.173 26.482 ( -0.594 0.000 0.148) 0.612 26.507 ( 0.780 0.000 -0.122) 0.790 26.512 ( 0.516 0.000 0.018) 0.516 35.573 ( 5.604 0.000 4.958) 7.483 35.913 ( 1.490 0.000 -5.479) 5.678 35.987 ( 6.236 0.000 3.346) 7.077 36.283 ( -4.403 0.000 4.630) 6.389 36.489 ( 10.129 0.000 3.877) 10.846 36.983 ( 3.909 0.000 2.869) 4.849 37.369 ( 3.346 0.000 -1.007) 3.494 38.216 ( -11.115 0.000 -7.707) 13.525 ======================= Grid point 237 (118/136) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 14.380 0.000 -3.616) 14.828 2.118 ( -3.807 0.000 -5.385) 6.595 2.474 ( 9.305 0.000 1.003) 9.359 2.669 ( -10.545 0.000 -3.712) 11.180 2.855 ( 9.069 0.000 3.040) 9.565 3.001 ( -1.761 0.000 -6.773) 6.998 3.624 ( 11.485 0.000 -5.848) 12.888 3.770 ( -15.260 0.000 12.790) 19.911 3.877 ( -0.655 0.000 3.732) 3.789 3.908 ( -0.211 0.000 -2.218) 2.228 4.261 ( 2.585 0.000 2.672) 3.717 4.264 ( -1.778 0.000 6.326) 6.571 4.417 ( -2.617 0.000 1.501) 3.017 4.463 ( -3.816 0.000 -6.739) 7.744 4.572 ( 5.785 0.000 9.070) 10.758 4.686 ( 2.257 0.000 -8.424) 8.721 4.704 ( -3.494 0.000 10.851) 11.400 4.827 ( -4.163 0.000 -9.412) 10.291 5.078 ( 6.569 0.000 4.753) 8.108 5.084 ( 1.805 0.000 9.560) 9.729 5.205 ( 3.004 0.000 -11.493) 11.879 5.250 ( -6.291 0.000 -6.486) 9.036 5.279 ( 25.710 0.000 -3.376) 25.930 5.531 ( 3.978 0.000 5.808) 7.040 5.564 ( -0.425 0.000 -2.729) 2.762 5.690 ( -6.093 0.000 -5.737) 8.369 5.907 ( -5.505 0.000 -1.197) 5.634 5.954 ( -5.770 0.000 0.941) 5.846 6.197 ( -6.179 0.000 5.768) 8.453 6.238 ( -1.010 0.000 -4.105) 4.228 6.278 ( 6.666 0.000 2.162) 7.008 6.334 ( 1.354 0.000 -1.996) 2.412 6.479 ( 7.147 0.000 6.182) 9.450 6.532 ( 4.923 0.000 -4.945) 6.978 6.623 ( -6.295 0.000 -4.598) 7.795 6.723 ( -14.185 0.000 -2.172) 14.350 6.828 ( 2.412 0.000 1.237) 2.710 6.890 ( -1.445 0.000 -1.506) 2.087 7.209 ( 2.842 0.000 9.573) 9.986 7.219 ( 3.881 0.000 0.953) 3.997 7.371 ( 7.341 0.000 3.984) 8.352 7.385 ( 2.515 0.000 4.595) 5.238 7.476 ( -2.039 0.000 -4.246) 4.711 7.524 ( -1.136 0.000 -3.812) 3.978 7.762 ( 2.221 0.000 1.700) 2.797 7.871 ( -3.445 0.000 0.916) 3.565 7.935 ( -5.817 0.000 -0.589) 5.847 7.946 ( 0.638 0.000 -4.732) 4.774 8.217 ( 2.387 0.000 1.093) 2.626 8.232 ( 0.390 0.000 -2.951) 2.977 8.355 ( 2.993 0.000 -0.831) 3.106 8.403 ( 0.724 0.000 0.234) 0.761 8.584 ( 10.138 0.000 2.634) 10.475 8.833 ( -5.684 0.000 -1.003) 5.772 8.845 ( -4.262 0.000 6.392) 7.682 8.862 ( -5.533 0.000 -8.090) 9.801 9.412 ( 1.598 0.000 0.473) 1.667 9.472 ( -3.958 0.000 -0.412) 3.979 9.559 ( 11.116 0.000 3.421) 11.630 9.835 ( -18.647 0.000 -0.155) 18.647 16.645 ( 0.901 0.000 0.103) 0.906 16.672 ( -1.367 0.000 -1.488) 2.021 16.783 ( 2.614 0.000 -0.257) 2.627 16.822 ( -2.501 0.000 0.173) 2.507 17.039 ( -1.479 0.000 2.414) 2.831 17.054 ( 0.210 0.000 -2.727) 2.736 17.219 ( 0.068 0.000 0.971) 0.973 17.233 ( -0.611 0.000 -0.385) 0.722 22.530 ( 0.430 0.000 0.304) 0.527 22.541 ( -0.455 0.000 -0.347) 0.573 22.774 ( 0.872 0.000 0.304) 0.924 22.792 ( -0.904 0.000 -0.250) 0.938 26.445 ( 1.122 0.000 0.270) 1.154 26.466 ( -0.987 0.000 -0.428) 1.075 26.518 ( 0.284 0.000 0.233) 0.367 26.519 ( 0.297 0.000 -0.028) 0.298 35.721 ( 4.611 0.000 6.762) 8.184 35.846 ( -1.674 0.000 -6.809) 7.012 36.119 ( 6.854 0.000 1.384) 6.992 36.227 ( -6.350 0.000 1.414) 6.506 36.696 ( 8.888 0.000 6.263) 10.873 36.897 ( -7.590 0.000 -5.914) 9.622 37.589 ( 13.701 0.000 9.150) 16.476 37.917 ( -13.219 0.000 -10.828) 17.087 ======================= Grid point 243 (119/136) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 119 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -1.506 2.090 -23.062) 23.205 1.824 ( 1.506 2.090 23.062) 23.205 2.301 ( 1.612 7.683 -29.606) 30.629 2.301 ( -1.612 7.683 29.606) 30.629 2.797 ( -2.930 -7.652 -5.550) 9.897 2.797 ( 2.930 -7.652 5.550) 9.897 3.188 ( 0.911 3.745 -13.932) 14.455 3.188 ( -0.911 3.745 13.932) 14.455 3.738 ( 8.209 -2.715 -7.726) 11.595 3.738 ( -8.209 -2.715 7.726) 11.595 4.059 ( -1.004 -0.574 -4.496) 4.643 4.059 ( 1.004 -0.574 4.496) 4.643 4.433 ( -1.012 1.534 -8.205) 8.408 4.433 ( 1.012 1.534 8.205) 8.408 4.574 ( -1.569 2.500 -1.815) 3.466 4.574 ( 1.569 2.500 1.815) 3.466 4.695 ( 0.078 -3.220 -12.847) 13.245 4.695 ( -0.078 -3.220 12.847) 13.245 5.017 ( 3.954 3.283 -3.442) 6.186 5.017 ( -3.954 3.283 3.442) 6.186 5.152 ( 1.329 -0.599 -2.378) 2.790 5.152 ( -1.329 -0.599 2.378) 2.790 5.364 ( -4.030 3.622 -4.426) 6.997 5.364 ( 4.030 3.622 4.426) 6.997 5.580 ( -0.951 0.136 -1.563) 1.835 5.580 ( 0.951 0.136 1.563) 1.835 5.848 ( 2.073 5.466 -5.876) 8.288 5.848 ( -2.073 5.466 5.876) 8.288 5.988 ( -9.320 1.695 2.571) 9.815 5.988 ( 9.320 1.695 -2.571) 9.815 6.262 ( 3.463 -5.479 -6.700) 9.322 6.262 ( -3.463 -5.479 6.700) 9.322 6.513 ( 6.831 -6.389 -5.424) 10.813 6.513 ( -6.831 -6.389 5.424) 10.813 6.705 ( -2.151 1.946 -2.863) 4.076 6.705 ( 2.151 1.946 2.863) 4.076 6.878 ( -0.864 -11.608 -4.007) 12.311 6.878 ( 0.864 -11.608 4.007) 12.311 7.096 ( 1.579 -1.094 -2.989) 3.553 7.096 ( -1.579 -1.094 2.989) 3.553 7.503 ( -3.191 1.845 -1.458) 3.964 7.503 ( 3.191 1.845 1.458) 3.964 7.618 ( -2.060 -9.086 -1.996) 9.528 7.618 ( 2.060 -9.086 1.996) 9.528 7.740 ( 1.886 2.150 -2.477) 3.784 7.740 ( -1.886 2.150 2.477) 3.784 7.963 ( -1.377 -6.849 -9.245) 11.587 7.963 ( 1.377 -6.849 9.245) 11.587 8.129 ( -4.123 -0.200 -2.489) 4.821 8.129 ( 4.123 -0.200 2.489) 4.821 8.460 ( -7.791 10.812 -2.013) 13.478 8.460 ( 7.791 10.812 2.013) 13.478 8.800 ( 0.024 9.582 -3.296) 10.133 8.800 ( -0.024 9.582 3.296) 10.133 9.424 ( -1.130 -4.439 -4.781) 6.621 9.424 ( 1.130 -4.439 4.781) 6.621 9.751 ( 2.012 1.049 -8.217) 8.524 9.751 ( -2.012 1.049 8.217) 8.524 9.963 ( -6.340 0.033 -9.729) 11.612 9.963 ( 6.340 0.033 9.729) 11.612 16.650 ( -2.467 1.285 -2.014) 3.434 16.650 ( 2.467 1.285 2.014) 3.434 16.859 ( -0.948 -1.157 -3.851) 4.131 16.859 ( 0.948 -1.157 3.851) 4.131 17.168 ( 0.258 0.035 -0.321) 0.414 17.168 ( -0.258 0.035 0.321) 0.414 17.290 ( -1.108 1.112 -1.628) 2.262 17.290 ( 1.108 1.112 1.628) 2.262 22.568 ( -0.120 -0.379 -1.367) 1.424 22.568 ( 0.120 -0.379 1.367) 1.424 22.814 ( -0.587 0.694 -1.049) 1.388 22.814 ( 0.587 0.694 1.049) 1.388 26.406 ( 0.166 -0.334 -0.950) 1.020 26.406 ( -0.166 -0.334 0.950) 1.020 26.526 ( 0.098 1.244 -0.195) 1.262 26.526 ( -0.098 1.244 0.195) 1.262 35.646 ( -5.442 -0.782 -6.108) 8.218 35.646 ( 5.442 -0.782 6.108) 8.218 35.818 ( -5.125 -1.723 -7.108) 8.931 35.818 ( 5.125 -1.723 7.108) 8.931 36.054 ( 3.116 4.492 -5.323) 7.630 36.054 ( -3.116 4.492 5.323) 7.630 37.900 ( -7.661 -9.136 -3.410) 12.401 37.900 ( 7.661 -9.136 3.410) 12.401 ======================= Grid point 245 (120/136) ======================= q-point: ( 0.09 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 7.247 2.477 -24.102) 25.290 1.979 ( 2.114 12.805 -15.907) 20.530 2.169 ( 9.190 4.449 7.115) 12.445 2.551 ( -1.909 0.407 18.107) 18.212 2.705 ( 0.636 -8.190 -7.581) 11.178 2.940 ( 8.517 -0.548 1.893) 8.742 3.089 ( 11.073 0.724 -17.505) 20.726 3.390 ( 14.251 3.035 -1.632) 14.661 3.682 ( -8.414 0.198 8.394) 11.886 3.780 ( 3.773 -3.282 -2.313) 5.509 4.017 ( 5.688 -1.511 -8.690) 10.496 4.114 ( 2.369 -7.884 1.184) 8.316 4.382 ( -1.205 0.623 1.245) 1.841 4.489 ( -9.984 -0.402 9.888) 14.057 4.518 ( -0.583 -2.535 -7.201) 7.656 4.580 ( 6.032 -0.545 1.367) 6.209 4.705 ( -0.872 6.450 0.505) 6.528 4.792 ( 0.354 6.257 11.510) 13.106 4.950 ( -6.394 1.893 -2.159) 7.010 5.013 ( -2.606 1.360 9.614) 10.053 5.162 ( 2.680 0.924 -2.385) 3.705 5.215 ( 1.797 -1.763 4.399) 5.069 5.325 ( 2.513 1.063 -0.934) 2.884 5.491 ( 3.468 2.013 3.646) 5.420 5.574 ( 2.904 -0.695 -1.261) 3.241 5.632 ( 2.542 0.780 0.412) 2.690 5.819 ( -0.638 7.835 -0.011) 7.861 5.864 ( -1.962 3.054 -2.545) 4.433 5.940 ( 2.575 3.489 5.723) 7.180 6.104 ( 7.119 -1.810 -3.589) 8.175 6.265 ( 2.818 -4.042 -0.646) 4.970 6.300 ( -0.215 -4.621 3.415) 5.750 6.458 ( -4.337 -7.577 2.205) 9.005 6.549 ( 1.388 -0.970 -3.148) 3.575 6.606 ( -0.827 -0.856 -9.336) 9.411 6.746 ( 2.200 0.118 -1.182) 2.500 6.828 ( 0.627 -10.372 -2.970) 10.807 6.928 ( 1.290 -8.136 2.629) 8.647 7.081 ( -4.134 -0.046 1.990) 4.589 7.114 ( 3.922 -3.348 0.497) 5.180 7.364 ( -6.802 0.623 -1.983) 7.113 7.486 ( -0.006 -4.515 -6.594) 7.991 7.553 ( -4.665 -7.075 -5.407) 10.052 7.650 ( -3.524 -4.945 0.926) 6.142 7.748 ( -0.483 1.306 -0.086) 1.395 7.810 ( 4.583 3.846 6.835) 9.084 7.878 ( 0.439 -5.822 -3.819) 6.977 8.007 ( -1.594 -1.442 -1.338) 2.532 8.128 ( 0.439 -5.056 10.916) 12.038 8.176 ( -2.409 4.885 -1.544) 5.661 8.337 ( -2.775 5.601 0.538) 6.274 8.563 ( 3.480 10.714 -2.459) 11.530 8.738 ( -3.021 7.859 -2.525) 8.790 8.822 ( -0.599 8.723 0.686) 8.770 9.254 ( -12.581 -5.349 -1.894) 13.802 9.451 ( -3.084 -2.065 2.162) 4.295 9.658 ( -3.207 2.654 -4.931) 6.453 9.748 ( -9.162 -0.625 0.285) 9.188 9.834 ( 1.514 -0.335 -1.809) 2.383 10.189 ( 5.276 1.543 12.526) 13.679 16.619 ( 1.074 0.769 -1.509) 2.005 16.736 ( 4.719 0.669 1.743) 5.075 16.798 ( -1.418 -0.867 -3.747) 4.099 16.909 ( 0.572 -1.226 3.154) 3.432 17.162 ( -0.659 0.137 0.204) 0.703 17.163 ( -0.636 0.244 0.103) 0.689 17.222 ( -4.342 1.456 -2.024) 5.007 17.292 ( -2.532 0.629 1.125) 2.842 22.551 ( -0.268 0.013 -0.952) 0.989 22.579 ( -0.468 -0.359 1.130) 1.275 22.787 ( -1.039 0.873 -1.363) 1.923 22.827 ( -0.138 0.343 0.657) 0.754 26.402 ( 0.493 -0.102 -0.883) 1.017 26.418 ( 0.432 -0.535 0.878) 1.115 26.523 ( 0.111 1.156 -0.651) 1.331 26.523 ( -0.155 0.933 -0.352) 1.009 35.498 ( -4.049 -0.644 -5.362) 6.750 35.700 ( -0.044 -3.020 -4.933) 5.784 35.799 ( 6.697 1.205 2.642) 7.299 35.995 ( 8.979 -0.653 -1.333) 9.101 36.102 ( 0.753 1.970 6.714) 7.037 36.138 ( 10.806 4.473 3.958) 12.347 37.749 ( -6.936 -7.252 -3.617) 10.667 38.073 ( 8.310 -11.685 4.701) 15.090 ======================= Grid point 246 (121/136) ======================= q-point: ( 0.18 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 18.320 5.691 -17.642) 26.063 1.875 ( 10.600 16.335 -18.569) 26.908 2.412 ( 6.626 -0.569 4.660) 8.120 2.597 ( 1.106 3.238 -0.273) 3.432 2.681 ( 0.320 -5.464 0.487) 5.495 3.041 ( 8.733 0.462 -7.332) 11.412 3.217 ( 24.411 -1.597 -15.946) 29.201 3.573 ( 6.378 -5.968 3.255) 9.321 3.688 ( 1.584 2.434 5.744) 6.436 3.806 ( 0.428 -0.296 0.170) 0.548 4.045 ( 9.119 -7.533 -11.157) 16.259 4.196 ( 4.803 -4.220 4.702) 7.936 4.369 ( -6.212 5.215 6.514) 10.402 4.425 ( -4.296 -1.218 5.320) 6.945 4.518 ( -4.527 -0.068 5.041) 6.775 4.613 ( 1.636 -0.458 1.013) 1.978 4.671 ( -4.632 -3.349 -1.728) 5.972 4.872 ( 0.003 -1.281 3.330) 3.568 4.912 ( 1.587 9.871 5.367) 11.347 5.054 ( -2.515 3.428 3.233) 5.341 5.177 ( 0.040 -3.594 -2.943) 4.645 5.333 ( -2.082 0.311 3.101) 3.748 5.364 ( 9.663 5.513 4.563) 12.025 5.453 ( -9.208 -0.651 -5.138) 10.565 5.582 ( 4.172 1.132 0.034) 4.323 5.729 ( 5.196 -0.612 1.862) 5.553 5.788 ( -0.150 1.869 -4.345) 4.733 5.894 ( 2.737 2.936 5.468) 6.783 6.064 ( 6.535 4.368 0.365) 7.869 6.126 ( -0.451 1.447 -3.886) 4.171 6.275 ( -2.385 -2.092 -0.919) 3.303 6.323 ( 3.188 -1.276 0.236) 3.442 6.416 ( 3.120 -8.218 -5.307) 10.268 6.478 ( -3.496 -6.213 4.219) 8.284 6.617 ( 5.404 -0.257 -3.984) 6.719 6.772 ( 1.146 0.910 1.132) 1.850 6.832 ( 1.573 -1.641 -0.575) 2.345 6.969 ( -0.341 -4.122 0.822) 4.216 7.051 ( 0.395 -2.770 2.288) 3.615 7.214 ( 4.106 -4.202 1.097) 5.977 7.280 ( -0.037 -3.229 -0.973) 3.372 7.353 ( -6.676 -9.154 -10.013) 15.121 7.442 ( -0.569 -2.388 -1.433) 2.843 7.584 ( -3.030 -4.228 0.126) 5.203 7.718 ( -2.651 0.834 -0.735) 2.875 7.852 ( -2.372 -2.607 0.242) 3.532 7.880 ( -3.965 4.441 -1.878) 6.243 8.010 ( 3.404 0.946 3.406) 4.907 8.133 ( 0.198 4.564 -0.037) 4.569 8.249 ( 1.927 -0.011 6.259) 6.549 8.311 ( -1.173 -1.712 -2.943) 3.601 8.549 ( 0.507 9.129 -2.053) 9.371 8.651 ( -2.872 6.227 -3.202) 7.568 8.795 ( -2.054 7.249 -2.343) 7.890 9.056 ( -11.050 -0.853 2.303) 11.320 9.399 ( -5.658 -4.165 1.615) 7.209 9.539 ( -4.441 1.448 -6.245) 7.799 9.600 ( -7.559 -1.198 -0.947) 7.712 9.823 ( -4.569 3.358 2.844) 6.344 10.345 ( -4.236 1.240 13.402) 14.110 16.643 ( 3.354 0.260 -1.269) 3.595 16.734 ( -1.534 -0.249 -3.066) 3.437 16.803 ( 1.527 -0.124 -0.429) 1.591 16.930 ( -1.618 -0.937 1.323) 2.291 17.134 ( -2.756 0.351 -1.304) 3.069 17.153 ( -1.848 0.654 0.424) 2.005 17.168 ( 1.025 0.357 1.085) 1.534 17.249 ( -3.881 -0.008 1.358) 4.112 22.541 ( -0.246 0.612 -0.323) 0.734 22.574 ( -0.901 -0.001 0.082) 0.905 22.761 ( -0.389 0.642 -1.082) 1.316 22.826 ( -0.609 -0.009 0.382) 0.719 26.403 ( 0.699 0.126 -0.655) 0.966 26.438 ( 0.881 -0.738 0.834) 1.420 26.514 ( -0.080 0.486 -0.853) 0.985 26.518 ( 0.139 0.690 -0.706) 0.997 35.425 ( 0.122 -0.276 -2.142) 2.163 35.701 ( 3.234 -4.409 -0.290) 5.476 35.916 ( 6.312 3.242 -0.492) 7.112 36.105 ( 7.987 -0.000 -1.574) 8.141 36.198 ( 2.795 0.429 5.877) 6.522 36.438 ( 16.742 2.886 7.421) 18.539 37.592 ( -7.139 -5.929 -5.206) 10.640 38.236 ( 4.762 -13.658 4.127) 15.042 ======================= Grid point 247 (122/136) ======================= q-point: ( 0.27 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 16.463 7.817 -10.986) 21.280 1.937 ( 17.611 9.891 -13.123) 24.088 2.398 ( 2.807 0.688 -10.322) 10.719 2.676 ( 2.329 -2.413 -3.832) 5.092 2.748 ( 6.042 5.170 8.759) 11.830 3.084 ( 8.880 -2.861 -13.488) 16.400 3.446 ( 17.493 -5.492 -7.277) 19.726 3.640 ( -3.070 -7.887 6.067) 10.414 3.803 ( 5.664 -0.403 1.431) 5.856 3.879 ( 2.398 -3.721 7.961) 9.109 4.052 ( 8.139 -2.873 -9.662) 12.956 4.271 ( 0.900 5.773 -1.470) 6.024 4.346 ( -12.789 6.889 17.810) 22.983 4.420 ( -5.928 3.170 0.755) 6.764 4.536 ( 0.466 -4.205 -1.015) 4.351 4.570 ( 10.206 -3.380 3.219) 11.223 4.738 ( -0.327 -1.912 9.485) 9.681 4.897 ( -7.228 -1.525 8.069) 10.940 4.931 ( -1.335 1.020 -2.623) 3.115 5.035 ( 0.107 2.994 -2.785) 4.090 5.162 ( 0.439 0.593 -2.485) 2.593 5.256 ( 2.595 0.983 -5.486) 6.148 5.289 ( 0.535 4.186 -5.003) 6.545 5.548 ( 2.667 2.185 -10.273) 10.836 5.620 ( 1.178 0.608 -4.419) 4.614 5.717 ( 3.126 0.959 0.972) 3.411 5.817 ( 1.565 -6.284 2.392) 6.904 6.004 ( 2.746 -0.180 -0.030) 2.752 6.056 ( 1.587 0.335 3.969) 4.288 6.185 ( 4.496 6.963 7.362) 11.086 6.303 ( -2.210 0.378 4.123) 4.693 6.361 ( 1.393 -0.562 -2.265) 2.717 6.448 ( 6.209 -5.195 -6.693) 10.504 6.499 ( 3.217 -3.310 4.801) 6.660 6.629 ( 0.542 -0.144 -2.920) 2.973 6.752 ( -5.673 3.589 0.934) 6.778 6.874 ( 2.286 -0.752 0.148) 2.411 6.964 ( 0.673 -5.219 2.528) 5.839 7.118 ( -0.071 0.902 -3.185) 3.312 7.146 ( -2.816 -6.760 -4.485) 8.588 7.218 ( -1.224 1.580 2.480) 3.185 7.358 ( 8.398 -14.546 -2.921) 17.048 7.463 ( 1.564 -3.154 -0.397) 3.543 7.586 ( -5.666 8.600 4.440) 11.215 7.643 ( 0.128 -5.705 -1.274) 5.847 7.787 ( -2.206 -0.742 -0.483) 2.377 7.806 ( -1.976 -2.489 -0.897) 3.302 8.090 ( -1.171 4.518 -1.214) 4.823 8.111 ( 3.005 -1.443 -2.324) 4.063 8.294 ( 3.393 2.339 0.139) 4.123 8.313 ( 1.033 6.519 0.586) 6.627 8.574 ( 0.949 6.625 1.212) 6.801 8.637 ( 4.061 3.370 0.977) 5.367 8.706 ( -2.861 5.973 -6.219) 9.085 8.931 ( -10.539 -0.497 5.165) 11.747 9.277 ( -8.664 -7.802 -3.643) 12.215 9.426 ( -2.919 2.562 -1.561) 4.186 9.491 ( -6.099 -0.458 0.371) 6.128 9.744 ( -9.220 4.327 3.203) 10.677 10.318 ( -13.794 0.414 9.044) 16.499 16.678 ( 0.535 0.825 -2.068) 2.289 16.697 ( 2.084 -0.256 -0.908) 2.287 16.783 ( -1.065 0.688 -2.845) 3.115 16.896 ( -2.885 -0.286 0.536) 2.948 17.082 ( -2.839 -0.542 -0.192) 2.896 17.129 ( -1.640 0.923 -0.209) 1.894 17.202 ( -0.667 -1.466 1.047) 1.921 17.218 ( -0.422 -0.373 1.747) 1.835 22.535 ( -0.338 0.996 -0.007) 1.052 22.560 ( -0.397 0.093 -0.389) 0.563 22.753 ( 0.309 0.307 -0.387) 0.583 22.817 ( -0.786 -0.227 0.161) 0.834 26.412 ( 1.023 0.204 -0.331) 1.094 26.461 ( 0.753 -0.894 0.960) 1.512 26.506 ( 0.233 0.002 -0.906) 0.935 26.512 ( 0.111 0.362 -0.605) 0.714 35.457 ( 3.707 -0.116 2.014) 4.221 35.775 ( 4.289 -5.896 1.647) 7.475 35.991 ( 4.645 4.969 -1.689) 7.008 36.199 ( 1.880 -3.063 2.923) 4.632 36.327 ( 7.539 0.828 3.613) 8.401 36.794 ( 16.803 4.484 8.110) 19.189 37.411 ( -7.097 -5.643 -7.054) 11.488 38.271 ( -2.507 -12.254 -1.610) 12.611 ======================= Grid point 248 (123/136) ======================= q-point: ( 0.36 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 11.144 5.844 -8.129) 14.981 2.098 ( 13.124 1.429 -7.616) 15.241 2.382 ( 8.119 1.411 -8.907) 12.134 2.720 ( 7.131 1.793 -2.519) 7.772 2.843 ( -5.139 3.076 3.409) 6.891 3.040 ( 5.705 -3.182 -12.792) 14.363 3.567 ( 5.923 -1.862 -5.552) 8.329 3.664 ( -0.441 -9.442 7.872) 12.301 3.848 ( -2.873 -1.028 4.517) 5.451 3.957 ( 1.139 -0.219 1.503) 1.898 4.150 ( -0.217 -4.786 9.670) 10.792 4.269 ( -4.802 2.006 4.298) 6.749 4.350 ( 4.928 4.575 2.975) 7.352 4.422 ( 2.548 3.998 2.567) 5.391 4.560 ( -0.011 -4.064 0.916) 4.166 4.681 ( -13.905 -1.822 4.304) 14.669 4.734 ( 0.695 -2.135 1.849) 2.908 4.924 ( 12.653 4.889 6.107) 14.876 4.990 ( 1.968 3.674 1.730) 4.512 5.051 ( 6.107 4.785 -1.142) 7.842 5.085 ( -1.411 -3.986 -5.612) 7.027 5.199 ( 1.943 3.802 -12.517) 13.225 5.366 ( 6.978 -1.740 2.256) 7.537 5.448 ( 0.116 2.588 -7.838) 8.255 5.569 ( 5.526 2.902 -8.954) 10.914 5.786 ( -1.532 -2.588 0.738) 3.097 5.891 ( 5.731 -2.743 3.417) 7.214 6.013 ( 0.230 1.823 -1.150) 2.167 6.139 ( -2.909 -3.585 5.887) 7.482 6.232 ( -4.150 0.167 0.296) 4.164 6.294 ( -6.943 -3.714 -0.403) 7.885 6.349 ( 4.186 0.837 3.193) 5.331 6.420 ( 2.165 -0.549 -11.008) 11.232 6.571 ( -1.335 1.913 -2.471) 3.398 6.702 ( 0.187 -1.725 2.074) 2.704 6.710 ( 9.097 0.366 3.806) 9.868 6.852 ( -3.712 -0.377 -3.076) 4.836 6.957 ( -3.330 1.235 -4.113) 5.434 7.070 ( 3.982 -3.804 8.111) 9.804 7.156 ( -2.580 0.839 3.166) 4.170 7.270 ( 3.374 0.876 1.732) 3.893 7.389 ( -5.064 0.892 -0.254) 5.148 7.483 ( 3.324 -2.087 0.582) 3.968 7.520 ( 3.482 -6.132 -3.149) 7.723 7.709 ( 1.766 -2.437 1.991) 3.609 7.779 ( 0.449 -0.337 0.093) 0.569 7.828 ( 4.411 -4.515 0.907) 6.377 8.064 ( -0.947 4.276 0.597) 4.420 8.111 ( 0.335 -7.096 -3.164) 7.777 8.318 ( -0.491 8.256 1.017) 8.333 8.364 ( 3.510 4.204 -1.846) 5.779 8.564 ( -5.259 8.734 -5.510) 11.589 8.603 ( 1.704 7.515 1.270) 7.810 8.757 ( 4.875 -1.948 1.475) 5.453 8.839 ( -3.337 -1.138 1.496) 3.830 9.088 ( -9.832 -4.886 -2.345) 11.227 9.395 ( -2.387 -0.039 0.907) 2.554 9.433 ( 0.901 0.924 0.388) 1.348 9.610 ( -10.631 2.682 2.570) 11.261 10.117 ( -18.617 -0.321 3.573) 18.960 16.657 ( -0.067 1.274 -0.954) 1.593 16.728 ( -0.622 0.810 -2.006) 2.251 16.744 ( 2.262 0.324 -1.040) 2.511 16.857 ( -2.572 -0.278 0.283) 2.603 17.044 ( -1.950 -0.623 0.548) 2.119 17.094 ( -1.699 0.762 -1.147) 2.187 17.195 ( -0.927 -1.665 1.585) 2.479 17.232 ( 0.031 -0.973 -0.051) 0.975 22.531 ( -0.043 0.771 0.058) 0.774 22.552 ( -0.281 0.160 -0.249) 0.408 22.760 ( 0.656 0.137 0.082) 0.675 22.805 ( -0.831 -0.256 -0.046) 0.870 26.427 ( 1.123 0.184 -0.049) 1.139 26.476 ( -0.136 -0.546 0.518) 0.765 26.502 ( 0.306 -0.352 -0.276) 0.542 26.512 ( 0.517 -0.140 -0.447) 0.698 35.572 ( 5.161 -0.302 5.455) 7.516 35.845 ( 3.688 -5.964 -2.076) 7.313 36.040 ( 3.169 4.614 0.175) 5.600 36.222 ( -2.234 -3.986 2.339) 5.133 36.508 ( 8.642 0.873 5.518) 10.291 37.074 ( 2.941 8.379 1.368) 8.985 37.283 ( 5.149 -8.585 -0.619) 10.030 38.130 ( -8.181 -8.290 -7.854) 14.048 ======================= Grid point 249 (124/136) ======================= q-point: ( 0.45 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 10.629 2.559 -1.321) 11.012 2.121 ( -2.488 0.154 -5.164) 5.734 2.469 ( 9.795 -0.068 -1.235) 9.873 2.658 ( -10.007 -0.762 -4.613) 11.045 2.867 ( 6.567 1.510 3.413) 7.554 2.992 ( -0.767 -0.661 -6.943) 7.016 3.645 ( 12.164 2.302 -4.929) 13.325 3.749 ( -6.638 -2.239 12.068) 13.954 3.848 ( -1.289 -1.281 4.538) 4.888 3.941 ( -3.200 2.375 -3.287) 5.165 4.174 ( -0.913 -7.839 2.575) 8.302 4.233 ( -2.951 -3.899 0.504) 4.916 4.406 ( -2.389 -5.654 0.380) 6.149 4.442 ( -3.455 -0.255 0.095) 3.466 4.605 ( 9.721 6.066 2.642) 11.759 4.653 ( -4.943 1.615 11.633) 12.742 4.729 ( 1.903 -2.452 -3.277) 4.514 4.862 ( -6.409 0.434 -10.187) 12.043 5.083 ( 5.142 0.079 1.756) 5.434 5.128 ( -3.116 2.201 9.294) 10.047 5.190 ( 7.538 6.616 -5.287) 11.337 5.285 ( 2.630 2.270 -3.294) 4.788 5.358 ( 15.246 5.919 -3.564) 16.739 5.504 ( 5.595 -2.500 1.659) 6.349 5.587 ( 0.817 1.819 -0.621) 2.089 5.752 ( -0.375 4.613 -5.734) 7.369 5.864 ( -9.116 -3.023 -0.470) 9.616 5.952 ( -9.834 -1.583 -0.426) 9.969 6.138 ( 0.595 -4.815 4.705) 6.758 6.189 ( -0.615 -2.291 0.378) 2.402 6.245 ( 3.799 -1.566 -0.213) 4.114 6.352 ( 0.226 0.774 -4.931) 4.997 6.462 ( 5.019 -1.478 2.633) 5.857 6.556 ( 1.907 0.332 -3.518) 4.016 6.632 ( -4.019 -0.106 -5.247) 6.610 6.708 ( -8.269 1.801 2.326) 8.776 6.835 ( 0.752 -1.814 1.859) 2.704 6.896 ( -2.060 -2.114 -1.554) 3.336 7.191 ( 1.088 -0.142 5.811) 5.914 7.240 ( 2.291 0.113 0.236) 2.306 7.360 ( 5.153 -0.760 2.151) 5.635 7.383 ( 4.478 1.542 2.542) 5.375 7.452 ( -0.117 1.642 0.600) 1.752 7.583 ( -0.766 1.330 -3.241) 3.586 7.760 ( 3.970 -7.370 3.891) 9.232 7.819 ( 3.087 3.552 1.972) 5.102 7.867 ( -0.991 -4.406 -1.751) 4.843 7.956 ( -7.980 4.601 -5.086) 10.523 8.161 ( 7.638 -11.403 0.670) 13.741 8.308 ( -6.491 -6.191 0.366) 8.978 8.357 ( 1.083 8.900 0.584) 8.985 8.422 ( -3.729 10.683 -4.165) 12.057 8.694 ( 5.582 4.447 3.421) 7.914 8.804 ( -1.193 1.604 -1.242) 2.354 8.838 ( 4.592 -0.529 -3.239) 5.644 8.933 ( -8.798 3.384 1.661) 9.572 9.389 ( 1.896 -2.065 0.372) 2.828 9.461 ( -5.544 -0.836 -0.273) 5.613 9.569 ( 9.857 1.018 3.103) 10.384 9.830 ( -18.213 -0.512 -0.480) 18.226 16.660 ( 0.752 1.474 0.371) 1.695 16.687 ( -1.225 1.432 -1.582) 2.461 16.782 ( 2.483 -0.144 -0.130) 2.490 16.820 ( -2.363 -0.227 0.034) 2.374 17.035 ( -0.355 -0.325 1.274) 1.362 17.056 ( -1.016 0.188 -1.577) 1.885 17.205 ( 0.065 -1.401 1.340) 1.940 17.222 ( -0.434 -1.091 -0.865) 1.458 22.535 ( 0.309 0.459 0.227) 0.598 22.544 ( -0.409 0.266 -0.280) 0.563 22.774 ( 0.803 -0.002 0.278) 0.850 22.790 ( -0.837 -0.152 -0.226) 0.880 26.446 ( 1.086 0.139 0.278) 1.130 26.466 ( -0.890 0.043 -0.383) 0.969 26.510 ( 0.123 -0.725 0.666) 0.993 26.515 ( 0.389 -0.505 -0.575) 0.859 35.716 ( 3.837 -1.008 7.271) 8.283 35.827 ( -0.115 -2.896 -6.704) 7.304 36.108 ( 3.643 0.437 2.041) 4.199 36.183 ( -3.747 -2.756 -0.251) 4.658 36.714 ( 8.278 1.052 7.672) 11.336 36.929 ( -7.929 1.998 -8.079) 11.495 37.553 ( 13.971 -3.021 9.717) 17.284 37.869 ( -11.675 -4.628 -10.471) 16.351 ======================= Grid point 255 (125/136) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 119 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -2.378 6.710 -19.819) 21.059 1.909 ( 2.378 6.710 19.819) 21.059 2.432 ( 7.436 2.663 -18.381) 20.006 2.432 ( -7.436 2.663 18.381) 20.006 2.708 ( -8.387 0.917 -7.558) 11.327 2.708 ( 8.387 0.917 7.558) 11.327 3.195 ( -4.746 -2.726 -4.474) 7.069 3.195 ( 4.746 -2.726 4.474) 7.069 3.695 ( 1.279 -1.418 -7.339) 7.583 3.695 ( -1.279 -1.418 7.339) 7.583 3.982 ( -2.526 -6.175 -5.551) 8.679 3.982 ( 2.526 -6.175 5.551) 8.679 4.379 ( 0.643 -7.372 -3.786) 8.312 4.379 ( -0.643 -7.372 3.786) 8.312 4.603 ( -1.511 -2.141 -10.970) 11.279 4.603 ( 1.511 -2.141 10.970) 11.279 4.820 ( -3.212 18.549 -20.125) 27.558 4.820 ( 3.212 18.549 20.125) 27.558 5.066 ( -4.740 2.692 -3.410) 6.430 5.066 ( 4.740 2.692 3.410) 6.430 5.190 ( -0.516 3.181 -4.266) 5.346 5.190 ( 0.516 3.181 4.266) 5.346 5.439 ( -1.168 3.956 -3.817) 5.620 5.439 ( 1.168 3.956 3.817) 5.620 5.607 ( -2.699 2.646 -0.273) 3.789 5.607 ( 2.699 2.646 0.273) 3.789 5.929 ( -0.669 -0.562 -8.574) 8.618 5.929 ( 0.669 -0.562 8.574) 8.618 6.013 ( 0.603 -1.008 -3.384) 3.582 6.013 ( -0.603 -1.008 3.384) 3.582 6.171 ( -1.168 1.019 -0.328) 1.585 6.171 ( 1.168 1.019 0.328) 1.585 6.373 ( -1.707 -8.019 -4.862) 9.531 6.373 ( 1.707 -8.019 4.862) 9.531 6.605 ( -1.484 -8.780 -3.336) 9.509 6.605 ( 1.484 -8.780 3.336) 9.509 6.778 ( -4.479 -1.907 -3.463) 5.974 6.778 ( 4.479 -1.907 3.463) 5.974 7.068 ( 0.408 -5.644 -4.932) 7.506 7.068 ( -0.408 -5.644 4.932) 7.506 7.278 ( -4.005 -12.707 -7.406) 15.243 7.278 ( 4.005 -12.707 7.406) 15.243 7.555 ( 1.206 -0.216 -5.653) 5.784 7.555 ( -1.206 -0.216 5.653) 5.784 7.794 ( -2.392 1.221 -1.923) 3.303 7.794 ( 2.392 1.221 1.923) 3.303 7.884 ( -4.439 -2.752 -3.411) 6.238 7.884 ( 4.439 -2.752 3.411) 6.238 8.247 ( -3.646 11.799 -3.641) 12.875 8.247 ( 3.646 11.799 3.641) 12.875 8.655 ( -8.004 8.154 -1.219) 11.491 8.655 ( 8.004 8.154 1.219) 11.491 8.936 ( -0.503 4.175 -5.037) 6.562 8.936 ( 0.503 4.175 5.037) 6.562 9.278 ( -6.207 -9.928 -5.593) 12.976 9.278 ( 6.207 -9.928 5.593) 12.976 9.806 ( 1.564 4.200 -15.289) 15.932 9.806 ( -1.564 4.200 15.289) 15.932 9.961 ( -5.436 -0.333 -14.906) 15.870 9.961 ( 5.436 -0.333 14.906) 15.870 16.682 ( -2.046 1.962 -2.093) 3.524 16.682 ( 2.046 1.962 2.093) 3.524 16.829 ( -0.843 -1.859 -3.483) 4.037 16.829 ( 0.843 -1.859 3.483) 4.037 17.169 ( 0.057 0.100 -0.213) 0.242 17.169 ( -0.057 0.100 0.213) 0.242 17.313 ( -0.757 1.117 -0.971) 1.662 17.313 ( 0.757 1.117 0.971) 1.662 22.559 ( -0.038 -0.407 -0.955) 1.038 22.559 ( 0.038 -0.407 0.955) 1.038 22.829 ( -0.311 0.677 -0.708) 1.028 22.829 ( 0.311 0.677 0.708) 1.028 26.400 ( 0.163 -0.234 -0.608) 0.672 26.400 ( -0.163 -0.234 0.608) 0.672 26.551 ( -0.001 1.206 -0.068) 1.208 26.551 ( 0.001 1.206 0.068) 1.208 35.623 ( -5.113 -1.423 -3.590) 6.407 35.623 ( 5.113 -1.423 3.590) 6.407 35.799 ( -4.309 -0.303 -4.653) 6.349 35.799 ( 4.309 -0.303 4.653) 6.349 36.146 ( 3.232 4.602 -3.324) 6.533 36.146 ( -3.232 4.602 3.324) 6.533 37.698 ( -5.716 -10.496 -1.172) 12.009 37.698 ( 5.716 -10.496 1.172) 12.009 ======================= Grid point 257 (126/136) ======================= q-point: ( 0.09 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 7.072 10.122 -18.091) 21.904 2.169 ( 6.408 5.894 9.080) 12.580 2.353 ( 7.176 12.655 -12.232) 19.007 2.509 ( 4.817 -8.149 -4.047) 10.295 2.591 ( -2.703 2.253 4.167) 5.455 2.963 ( 8.899 2.229 11.000) 14.324 3.083 ( 1.864 -1.135 -8.609) 8.882 3.331 ( 7.005 -7.333 -0.484) 10.153 3.654 ( 2.217 -7.342 -3.338) 8.364 3.719 ( -3.481 -1.406 -1.457) 4.027 3.936 ( 6.089 -6.351 -0.445) 8.810 4.074 ( 4.434 3.220 -1.139) 5.597 4.356 ( -1.606 -5.110 1.410) 5.539 4.411 ( -1.592 -9.715 3.385) 10.410 4.492 ( -1.527 0.559 -2.632) 3.094 4.582 ( -0.300 11.303 -8.948) 14.419 4.792 ( 1.371 0.388 6.185) 6.347 4.941 ( -5.782 0.992 -0.599) 5.897 5.053 ( -4.366 3.275 -1.855) 5.764 5.099 ( 0.055 17.238 16.701) 24.001 5.187 ( 4.681 0.610 4.441) 6.482 5.227 ( 0.068 5.239 -0.470) 5.260 5.408 ( 2.377 6.264 -1.772) 6.930 5.525 ( 3.385 1.264 2.217) 4.239 5.585 ( 1.247 1.812 -2.282) 3.169 5.671 ( 2.517 3.980 -0.946) 4.803 5.879 ( 0.304 -1.149 -1.251) 1.725 5.898 ( -2.963 -1.164 -2.875) 4.289 6.059 ( 0.467 -0.535 8.525) 8.554 6.076 ( 6.191 -0.697 -2.600) 6.751 6.152 ( -1.608 -4.317 3.805) 5.975 6.219 ( 2.969 2.031 0.809) 3.687 6.334 ( 3.661 -6.502 -3.642) 8.304 6.482 ( 1.806 -6.921 -8.672) 11.241 6.491 ( 0.205 -8.855 -4.034) 9.733 6.564 ( -2.035 -9.798 -3.070) 10.468 6.776 ( 3.899 -0.134 4.694) 6.104 6.857 ( 2.746 -1.716 1.008) 3.391 7.004 ( 0.102 -7.446 -7.103) 10.290 7.095 ( -2.026 -7.615 2.780) 8.356 7.206 ( -1.130 -1.304 2.660) 3.171 7.400 ( -2.034 -11.003 5.427) 12.436 7.491 ( -0.678 -3.057 -2.624) 4.085 7.525 ( -5.500 0.593 -1.725) 5.795 7.769 ( -2.700 2.446 3.957) 5.379 7.792 ( -1.027 -2.230 -2.638) 3.604 7.861 ( 3.573 -0.359 1.203) 3.787 7.973 ( 1.695 -5.025 2.035) 5.680 8.173 ( -1.685 10.289 0.115) 10.427 8.311 ( 0.236 9.483 0.223) 9.489 8.504 ( -7.123 8.768 -2.359) 11.540 8.749 ( 2.385 7.429 -0.801) 7.843 8.867 ( 0.049 5.829 -5.396) 7.943 8.970 ( -1.399 5.517 2.345) 6.156 9.089 ( -9.342 -10.653 -3.296) 14.547 9.379 ( -0.891 -5.691 3.683) 6.837 9.650 ( -0.301 -2.005 -15.950) 16.078 9.713 ( -8.392 -2.230 -7.094) 11.212 9.933 ( -3.265 8.377 13.732) 16.414 10.209 ( 2.414 0.060 16.957) 17.128 16.643 ( 0.112 1.712 -1.424) 2.230 16.753 ( 3.787 0.647 0.531) 3.879 16.776 ( -1.175 -0.911 -2.612) 3.006 16.878 ( 0.961 -1.930 2.551) 3.341 17.164 ( -0.505 0.140 0.050) 0.526 17.168 ( -0.349 0.200 0.247) 0.472 17.255 ( -4.477 1.765 -1.268) 4.977 17.302 ( -2.882 0.322 0.348) 2.921 22.552 ( -0.004 0.033 -0.383) 0.385 22.570 ( -0.217 -0.561 1.111) 1.264 22.807 ( -1.098 1.070 -1.015) 1.839 22.833 ( -0.414 0.206 0.265) 0.533 26.400 ( 0.584 -0.042 -0.550) 0.803 26.408 ( 0.446 -0.380 0.535) 0.793 26.543 ( -0.431 0.995 -0.770) 1.330 26.545 ( -0.237 1.003 -0.807) 1.309 35.489 ( -4.139 -0.064 -4.290) 5.962 35.630 ( -1.278 -4.057 -3.729) 5.656 35.831 ( 8.216 2.267 1.040) 8.586 35.982 ( 10.586 -1.182 1.807) 10.803 36.156 ( -0.941 3.731 4.484) 5.908 36.227 ( 8.915 4.036 1.984) 9.985 37.594 ( -4.836 -7.437 -2.489) 9.214 37.817 ( 7.994 -13.434 0.031) 15.633 ======================= Grid point 258 (127/136) ======================= q-point: ( 0.18 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 14.775 10.804 -12.250) 22.025 2.199 ( 1.637 11.890 -7.154) 13.972 2.445 ( 11.347 6.025 -9.030) 15.704 2.572 ( 2.885 -3.229 1.332) 4.530 2.657 ( 9.753 3.148 0.949) 10.293 3.047 ( 4.319 0.075 -6.561) 7.855 3.199 ( 13.777 -0.118 -3.714) 14.270 3.413 ( 0.261 -9.008 5.972) 10.810 3.655 ( 0.736 -9.750 -0.514) 9.792 3.694 ( 5.429 -9.711 -1.889) 11.284 4.035 ( 2.922 5.674 -6.323) 8.984 4.179 ( 15.079 3.254 1.002) 15.459 4.343 ( -3.401 -4.397 4.026) 6.864 4.409 ( -2.040 -6.547 1.642) 7.052 4.511 ( 0.343 -1.240 5.667) 5.811 4.568 ( -3.353 6.059 8.636) 11.069 4.728 ( -0.635 6.359 -9.818) 11.715 4.866 ( -4.305 0.367 1.363) 4.530 5.063 ( -1.760 -0.610 4.273) 4.661 5.126 ( -5.362 6.040 2.310) 8.400 5.185 ( 3.270 2.820 -5.058) 6.651 5.360 ( -0.649 5.661 9.013) 10.663 5.475 ( -6.436 3.382 -7.438) 10.401 5.492 ( 7.719 6.805 2.581) 10.609 5.604 ( 2.620 0.972 2.288) 3.612 5.691 ( -1.628 -1.137 0.526) 2.055 5.792 ( -0.344 -0.759 -3.767) 3.858 5.917 ( -1.391 -3.655 1.393) 4.151 6.136 ( 2.431 1.041 -9.133) 9.508 6.153 ( 4.262 -9.278 2.771) 10.580 6.234 ( 1.338 -0.629 1.162) 1.880 6.255 ( 8.461 1.593 3.018) 9.123 6.326 ( 2.992 -0.077 1.392) 3.300 6.378 ( 2.690 -1.342 -3.811) 4.854 6.548 ( 2.368 -7.798 -0.425) 8.161 6.612 ( 6.774 -9.121 0.074) 11.361 6.864 ( 1.456 1.770 0.989) 2.496 6.938 ( 7.810 -4.467 -0.443) 9.008 6.959 ( 3.626 -8.502 -5.321) 10.665 7.045 ( -6.668 -3.127 1.522) 7.521 7.256 ( -0.904 0.551 3.691) 3.840 7.318 ( -5.386 0.653 -3.211) 6.305 7.389 ( -4.174 -1.413 -0.213) 4.412 7.500 ( -1.698 -5.308 2.648) 6.170 7.730 ( -0.901 0.327 -1.488) 1.770 7.827 ( -0.451 0.751 4.497) 4.581 7.881 ( -1.713 -3.872 -4.276) 6.018 8.012 ( 1.766 0.491 3.966) 4.369 8.177 ( -2.666 0.458 1.001) 2.885 8.286 ( -0.210 5.016 0.926) 5.105 8.408 ( 0.129 8.577 -3.001) 9.088 8.743 ( -1.459 8.890 1.378) 9.114 8.809 ( -1.863 9.845 -6.245) 11.806 8.933 ( -5.126 4.311 0.862) 6.753 8.960 ( -3.464 -6.815 -1.482) 7.787 9.318 ( -6.880 -2.452 -2.923) 7.867 9.488 ( -1.999 -6.670 -9.298) 11.616 9.544 ( -7.083 -4.492 -1.938) 8.608 9.980 ( -7.652 10.854 10.831) 17.137 10.355 ( -6.417 -0.759 15.194) 16.511 16.653 ( 2.428 0.849 -0.930) 2.735 16.728 ( -1.006 -0.613 -2.193) 2.489 16.805 ( 1.771 0.631 -0.589) 1.970 16.905 ( -0.490 -1.659 1.247) 2.132 17.145 ( -2.226 0.658 -1.842) 2.963 17.159 ( -1.141 0.190 -0.065) 1.158 17.183 ( -1.859 0.983 1.013) 2.335 17.244 ( -4.420 -0.547 0.652) 4.501 22.551 ( 0.001 0.443 0.209) 0.489 22.572 ( -0.680 -0.216 0.572) 0.915 22.779 ( -0.830 1.128 -1.033) 1.740 22.824 ( -0.804 -0.235 0.025) 0.837 26.406 ( 0.746 0.207 -0.357) 0.853 26.425 ( 0.871 -0.538 0.505) 1.141 26.524 ( -0.479 0.521 -1.256) 1.442 26.530 ( -0.188 0.498 -1.181) 1.296 35.423 ( -0.068 0.333 -1.438) 1.477 35.608 ( 1.324 -5.129 -0.266) 5.304 35.966 ( 9.329 2.331 -2.998) 10.072 36.147 ( 8.189 2.068 1.654) 8.607 36.197 ( 0.253 1.478 4.130) 4.393 36.481 ( 16.235 0.601 5.882) 17.279 37.481 ( -4.652 -3.844 -4.792) 7.706 37.939 ( 7.257 -15.705 -1.252) 17.346 ======================= Grid point 259 (128/136) ======================= q-point: ( 0.27 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 9.211 5.105 -6.878) 12.578 2.152 ( 1.224 5.665 -5.628) 8.079 2.466 ( 9.505 9.251 -15.597) 20.474 2.667 ( 10.818 3.564 -2.773) 11.723 2.855 ( 10.188 4.898 2.046) 11.488 3.029 ( 3.276 -2.198 -10.823) 11.520 3.371 ( 12.983 -0.776 -2.407) 13.227 3.460 ( -1.067 -9.746 3.649) 10.462 3.703 ( 3.263 -12.656 0.578) 13.083 3.811 ( 6.010 -3.227 6.277) 9.270 4.009 ( 1.525 0.433 -2.234) 2.739 4.337 ( -2.244 -1.353 2.194) 3.418 4.352 ( -4.797 -8.393 2.894) 10.091 4.429 ( 0.805 -2.179 6.616) 7.012 4.535 ( -0.698 9.537 4.215) 10.450 4.634 ( 9.338 8.224 1.173) 12.498 4.751 ( 5.919 4.321 1.313) 7.445 4.850 ( -3.596 -2.227 6.496) 7.752 4.990 ( -5.301 1.988 -2.443) 6.166 5.043 ( -3.948 0.887 0.501) 4.077 5.187 ( 0.222 1.832 -7.045) 7.283 5.327 ( 0.091 2.388 -3.509) 4.246 5.420 ( 1.428 10.253 1.208) 10.422 5.515 ( -3.237 -3.052 -7.190) 8.455 5.640 ( -1.013 -1.872 2.288) 3.125 5.719 ( -0.414 -0.865 0.744) 1.214 5.752 ( 5.508 1.508 -0.539) 5.736 5.953 ( 2.309 -3.765 2.804) 5.231 6.087 ( 4.919 1.756 -4.184) 6.692 6.213 ( 2.182 -10.573 -1.082) 10.850 6.295 ( -0.602 0.139 2.436) 2.513 6.336 ( 0.106 0.385 -2.252) 2.287 6.397 ( 3.167 2.141 -0.525) 3.859 6.513 ( 10.140 2.650 2.432) 10.759 6.604 ( 4.711 -1.028 1.844) 5.162 6.693 ( 2.320 -7.467 1.816) 8.027 6.861 ( -4.178 -1.114 -6.083) 7.463 6.895 ( 1.971 -9.335 -2.370) 9.830 7.015 ( 3.934 -1.129 -0.282) 4.103 7.113 ( 8.314 -3.714 0.406) 9.114 7.176 ( -5.360 1.381 -0.532) 5.561 7.234 ( -0.628 -0.878 0.871) 1.387 7.437 ( 2.505 0.564 2.515) 3.594 7.525 ( 2.115 -5.259 2.841) 6.340 7.682 ( -5.713 1.872 -2.198) 6.401 7.776 ( -2.015 -0.706 -2.447) 3.248 7.863 ( -0.459 5.802 3.490) 6.786 8.039 ( -0.775 -2.804 -2.485) 3.826 8.122 ( -2.358 -0.024 2.341) 3.323 8.357 ( 3.005 1.147 5.569) 6.431 8.458 ( 4.722 8.132 0.122) 9.404 8.688 ( -5.553 1.124 -2.684) 6.270 8.739 ( -1.430 8.053 0.668) 8.206 8.845 ( -3.914 7.110 -2.340) 8.447 8.900 ( -2.341 -0.242 -1.713) 2.911 9.144 ( -7.236 -4.702 -6.277) 10.671 9.391 ( -3.099 -5.987 -1.765) 6.968 9.441 ( -4.500 -4.296 -0.101) 6.222 9.909 ( -12.644 11.155 6.819) 18.188 10.312 ( -14.761 -1.439 9.193) 17.450 16.692 ( 2.959 0.232 -0.490) 3.008 16.698 ( -0.563 0.553 -0.909) 1.204 16.800 ( -0.235 1.198 -2.161) 2.482 16.886 ( -2.278 -0.825 0.161) 2.428 17.079 ( -2.853 0.371 -1.175) 3.108 17.146 ( -1.466 0.822 0.691) 1.818 17.167 ( -1.807 -1.943 -0.628) 2.727 17.207 ( -0.868 -0.814 1.359) 1.806 22.553 ( -0.378 0.727 0.441) 0.931 22.563 ( -0.515 0.165 -0.174) 0.568 22.764 ( -0.047 0.774 -0.485) 0.914 22.810 ( -0.808 -0.495 -0.049) 0.948 26.417 ( 0.927 0.347 -0.127) 0.998 26.445 ( 0.795 -0.716 0.683) 1.269 26.506 ( -0.004 0.084 -1.176) 1.179 26.516 ( -0.092 -0.003 -1.087) 1.091 35.454 ( 3.046 0.073 2.429) 3.896 35.653 ( 2.317 -6.468 2.396) 7.276 36.063 ( 8.195 2.449 -5.081) 9.949 36.220 ( -1.608 5.045 4.307) 6.826 36.319 ( 8.687 -0.865 3.344) 9.348 36.820 ( 16.853 -4.058 6.251) 18.427 37.344 ( -4.658 1.371 -6.664) 8.245 37.996 ( 2.807 -15.185 -4.219) 16.008 ======================= Grid point 260 (129/136) ======================= q-point: ( 0.36 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 3.497 1.113 -0.323) 3.684 2.131 ( 2.318 -1.139 -3.748) 4.552 2.464 ( 12.312 8.503 -17.726) 23.196 2.799 ( 5.671 5.326 -4.350) 8.913 2.898 ( -4.084 2.476 -4.298) 6.425 3.000 ( 7.682 1.100 -6.084) 9.861 3.481 ( 4.907 -8.924 0.789) 10.215 3.572 ( 9.808 2.703 2.859) 10.568 3.774 ( 4.499 -7.662 1.431) 8.999 3.929 ( -0.523 -0.888 5.872) 5.962 4.061 ( 1.493 -5.587 3.833) 6.938 4.243 ( -5.121 -7.269 -0.864) 8.934 4.376 ( -4.408 -2.549 1.148) 5.220 4.417 ( -4.959 -0.377 9.458) 10.686 4.562 ( -1.973 4.687 2.379) 5.615 4.686 ( -8.755 3.683 4.724) 10.608 4.803 ( 0.419 7.338 4.075) 8.404 4.997 ( 1.560 -8.037 -0.322) 8.193 5.012 ( 6.803 -0.365 5.013) 8.458 5.048 ( 8.644 5.637 0.953) 10.364 5.108 ( 6.286 4.600 -8.139) 11.266 5.271 ( 2.925 3.709 -5.878) 7.541 5.416 ( -1.421 1.361 -1.293) 2.354 5.495 ( 4.398 7.113 -2.225) 8.654 5.617 ( -0.524 -0.290 0.089) 0.605 5.720 ( 0.736 -1.814 -0.764) 2.101 5.885 ( 6.140 2.326 4.364) 7.884 6.006 ( 0.785 -2.949 1.442) 3.376 6.091 ( -2.261 -0.024 -4.116) 4.696 6.224 ( -1.286 -3.678 -1.601) 4.212 6.262 ( -0.344 1.621 -0.678) 1.790 6.327 ( 0.566 -1.366 -2.242) 2.686 6.427 ( 5.296 -0.797 -6.668) 8.553 6.522 ( -3.254 -4.470 0.769) 5.582 6.649 ( 0.301 -3.081 -2.728) 4.126 6.720 ( 0.370 -1.507 -2.799) 3.200 6.839 ( 2.019 -3.281 0.567) 3.894 6.901 ( -3.529 -5.783 -3.909) 7.822 7.091 ( 8.277 2.822 5.796) 10.491 7.153 ( -1.087 -1.531 3.664) 4.117 7.212 ( 5.904 -2.540 4.584) 7.895 7.359 ( 8.893 -0.162 -0.374) 8.902 7.497 ( 2.808 5.083 1.750) 6.065 7.519 ( -5.816 3.145 -2.542) 7.084 7.604 ( 2.842 -4.546 0.459) 5.381 7.762 ( 2.142 -1.452 -1.013) 2.780 7.901 ( 0.007 5.853 3.899) 7.032 7.993 ( -1.862 -3.636 -2.000) 4.549 8.135 ( -1.094 1.235 3.007) 3.430 8.384 ( -11.829 -1.675 -1.468) 12.037 8.456 ( 2.330 4.772 0.994) 5.402 8.656 ( 1.027 -1.555 0.383) 1.903 8.689 ( -1.590 4.516 -1.397) 4.988 8.811 ( 0.090 6.752 -0.081) 6.753 8.882 ( 4.206 5.185 -2.081) 6.993 8.984 ( -7.095 -4.516 -1.577) 8.556 9.336 ( -2.662 -5.132 0.279) 5.788 9.419 ( 2.595 -2.709 -0.444) 3.777 9.736 ( -14.814 9.257 3.577) 17.830 10.100 ( -18.795 -1.795 3.034) 19.123 16.687 ( -0.013 1.668 -0.035) 1.668 16.734 ( 2.209 -0.069 -0.035) 2.210 16.765 ( -0.665 1.748 -2.280) 2.948 16.849 ( -2.239 -0.655 -0.198) 2.341 17.037 ( -1.396 0.034 -0.283) 1.424 17.105 ( -2.841 0.074 -0.541) 2.893 17.157 ( -0.155 -1.747 1.030) 2.033 17.208 ( -0.194 -1.443 -0.246) 1.476 22.547 ( -0.387 0.772 0.037) 0.864 22.556 ( -0.259 0.219 -0.103) 0.355 22.765 ( 0.413 0.394 0.014) 0.571 22.798 ( -0.697 -0.477 -0.078) 0.848 26.432 ( 0.998 0.354 0.067) 1.061 26.464 ( 0.486 -0.689 0.809) 1.169 26.497 ( -0.162 -0.224 -0.675) 0.730 26.506 ( 0.283 -0.404 -0.925) 1.048 35.556 ( 4.041 -1.208 5.059) 6.586 35.713 ( 1.856 -7.117 1.620) 7.531 36.124 ( 6.724 3.245 -5.764) 9.432 36.222 ( -3.486 4.814 3.832) 7.072 36.506 ( 8.147 -0.702 6.278) 10.310 37.055 ( 2.558 -13.697 -3.491) 14.364 37.272 ( 6.673 10.943 2.087) 12.986 37.933 ( -2.778 -11.388 -7.410) 13.867 ======================= Grid point 261 (130/136) ======================= q-point: ( 0.45 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 3.649 0.269 5.923) 6.962 2.112 ( -0.314 -1.643 -5.756) 5.994 2.495 ( 9.881 3.086 -7.414) 12.733 2.649 ( -8.627 -0.473 -6.345) 10.720 2.931 ( 1.934 5.517 4.518) 7.389 3.000 ( 1.007 2.182 -6.016) 6.478 3.640 ( 11.592 -4.147 1.293) 12.379 3.759 ( 5.277 4.418 5.031) 8.526 3.840 ( -2.740 -0.162 4.069) 4.908 3.933 ( 5.501 -5.961 -5.814) 9.980 4.043 ( -3.663 -5.016 -3.847) 7.306 4.124 ( -13.292 -5.422 5.249) 15.284 4.313 ( 1.395 -2.037 2.168) 3.286 4.415 ( -5.545 -0.511 -0.659) 5.608 4.612 ( 3.864 -3.222 6.160) 7.953 4.668 ( -2.045 0.231 6.223) 6.555 4.824 ( 0.668 8.397 -1.042) 8.488 4.891 ( -6.409 1.503 -4.643) 8.056 5.054 ( 3.309 -2.565 -2.657) 4.959 5.085 ( -1.767 -4.607 2.239) 5.419 5.328 ( 8.173 2.521 0.906) 8.601 5.386 ( 0.972 -0.095 1.013) 1.407 5.460 ( 11.541 8.037 3.240) 14.432 5.520 ( 2.121 7.762 -2.952) 8.571 5.627 ( 5.843 2.613 0.279) 6.407 5.742 ( 2.584 -1.831 1.650) 3.570 5.884 ( -8.740 -2.292 -1.169) 9.111 5.906 ( -11.124 4.548 -7.773) 14.312 6.106 ( 3.789 0.704 3.862) 5.456 6.181 ( -2.183 0.300 -2.512) 3.342 6.237 ( 6.891 2.466 1.429) 7.457 6.363 ( 0.880 -0.916 -1.725) 2.142 6.433 ( 5.649 -1.625 -5.898) 8.327 6.506 ( -6.180 -4.686 3.411) 8.473 6.640 ( 3.339 -0.782 -3.110) 4.629 6.692 ( -2.156 -4.434 0.470) 4.953 6.782 ( -3.650 -2.584 -2.125) 4.952 6.795 ( -4.206 -5.801 -0.202) 7.169 7.189 ( 1.650 -0.305 3.651) 4.018 7.255 ( -0.718 2.406 -1.186) 2.777 7.340 ( 5.976 -3.133 3.439) 7.573 7.415 ( 0.185 0.657 -0.015) 0.683 7.508 ( 4.677 1.978 2.260) 5.558 7.580 ( -0.015 -0.450 1.247) 1.325 7.672 ( 9.262 1.463 0.358) 9.384 7.825 ( 0.691 0.803 -0.962) 1.431 7.929 ( 1.860 -0.296 -1.686) 2.528 7.957 ( 2.828 -1.352 2.215) 3.838 8.083 ( -5.999 3.519 -2.121) 7.271 8.130 ( -14.982 -6.760 -0.232) 16.438 8.525 ( 3.772 5.766 3.170) 7.584 8.615 ( -0.951 6.954 -5.108) 8.681 8.711 ( 0.497 0.745 4.263) 4.356 8.792 ( -2.088 -0.764 -4.622) 5.129 8.913 ( 1.433 2.023 2.082) 3.237 8.948 ( 0.401 -0.523 0.153) 0.676 9.348 ( 4.757 -1.162 0.383) 4.912 9.463 ( -3.301 0.718 -1.042) 3.536 9.599 ( 1.685 2.512 2.894) 4.186 9.812 ( -17.210 -1.556 -0.837) 17.300 16.696 ( 0.579 2.135 0.846) 2.368 16.722 ( -0.980 2.129 -1.626) 2.852 16.777 ( 2.044 -0.417 0.199) 2.096 16.812 ( -1.987 -0.605 -0.358) 2.108 17.031 ( 0.484 0.014 0.496) 0.693 17.059 ( -1.966 -0.008 -0.804) 2.124 17.173 ( 0.398 -1.701 1.334) 2.198 17.194 ( -0.526 -1.664 -1.090) 2.058 22.545 ( 0.091 0.542 0.064) 0.553 22.550 ( -0.317 0.330 -0.131) 0.476 22.774 ( 0.572 0.062 0.197) 0.608 22.786 ( -0.625 -0.250 -0.159) 0.692 26.450 ( 0.980 0.310 0.332) 1.080 26.468 ( -0.576 0.125 -0.248) 0.639 26.494 ( 0.069 -0.912 0.625) 1.108 26.502 ( 0.192 -0.768 -0.858) 1.167 35.668 ( 2.692 -3.639 5.009) 6.751 35.729 ( -0.036 -6.216 -1.935) 6.511 36.162 ( 5.633 4.330 -5.345) 8.891 36.196 ( -4.873 4.823 4.285) 8.085 36.708 ( 7.195 -1.781 8.685) 11.418 36.913 ( -5.991 -4.636 -9.540) 12.182 37.517 ( 11.138 0.199 8.495) 14.009 37.761 ( -7.552 -6.019 -8.903) 13.134 ======================= Grid point 267 (131/136) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 119 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -1.905 6.904 -10.372) 12.605 2.056 ( 1.905 6.904 10.372) 12.605 2.371 ( 1.726 -5.515 -6.333) 8.573 2.371 ( -1.726 -5.515 6.333) 8.573 2.832 ( 0.148 8.028 -10.098) 12.901 2.832 ( -0.148 8.028 10.098) 12.901 3.103 ( 1.801 -5.778 -4.068) 7.292 3.103 ( -1.801 -5.778 4.068) 7.292 3.709 ( -7.537 3.455 -6.045) 10.261 3.709 ( 7.537 3.455 6.045) 10.261 3.847 ( -9.533 -7.368 -5.671) 13.316 3.847 ( 9.533 -7.368 5.671) 13.316 4.255 ( 0.960 -3.840 -1.749) 4.327 4.255 ( -0.960 -3.840 1.749) 4.327 4.566 ( -0.757 -1.079 -4.991) 5.162 4.566 ( 0.757 -1.079 4.991) 5.162 5.116 ( -1.826 2.105 -2.288) 3.605 5.116 ( 1.826 2.105 2.288) 3.605 5.145 ( -1.765 6.184 -9.056) 11.107 5.145 ( 1.765 6.184 9.056) 11.107 5.322 ( 0.714 15.874 -8.690) 18.112 5.322 ( -0.714 15.874 8.690) 18.112 5.504 ( 0.447 1.452 -7.245) 7.402 5.504 ( -0.447 1.452 7.245) 7.402 5.641 ( -3.772 0.172 -0.816) 3.863 5.641 ( 3.772 0.172 0.816) 3.863 5.772 ( -0.676 -12.552 -0.329) 12.574 5.772 ( 0.676 -12.552 0.329) 12.574 6.006 ( 0.874 0.535 -3.362) 3.515 6.006 ( -0.874 0.535 3.362) 3.515 6.189 ( -0.019 -2.967 -5.950) 6.649 6.189 ( 0.019 -2.967 5.950) 6.649 6.325 ( -1.616 3.752 -5.136) 6.562 6.325 ( 1.616 3.752 5.136) 6.562 6.513 ( -2.270 0.636 -6.575) 6.985 6.513 ( 2.270 0.636 6.575) 6.985 6.679 ( -4.497 -8.744 -5.781) 11.406 6.679 ( 4.497 -8.744 5.781) 11.406 6.845 ( -0.178 -8.054 -5.366) 9.680 6.845 ( 0.178 -8.054 5.366) 9.680 7.244 ( 0.029 1.998 -0.989) 2.229 7.244 ( -0.029 1.998 0.989) 2.229 7.545 ( -0.233 -0.508 -2.893) 2.947 7.545 ( 0.233 -0.508 2.893) 2.947 7.807 ( 1.246 0.849 -6.379) 6.555 7.807 ( -1.246 0.849 6.379) 6.555 7.837 ( 3.455 -2.189 -4.527) 6.101 7.837 ( -3.455 -2.189 4.527) 6.101 8.511 ( -0.628 13.927 -3.133) 14.289 8.511 ( 0.628 13.927 3.133) 14.289 8.712 ( -3.807 -4.149 -2.719) 6.253 8.712 ( 3.807 -4.149 2.719) 6.253 8.976 ( -0.896 0.953 -2.382) 2.717 8.976 ( 0.896 0.953 2.382) 2.717 9.108 ( -4.535 -5.622 -3.670) 8.102 9.108 ( 4.535 -5.622 3.670) 8.102 9.885 ( -1.200 3.433 -16.444) 16.841 9.885 ( 1.200 3.433 16.444) 16.841 9.944 ( -3.619 -1.481 -16.330) 16.792 9.944 ( 3.619 -1.481 16.330) 16.792 16.719 ( -1.058 1.570 -1.721) 2.559 16.719 ( 1.058 1.570 1.721) 2.559 16.793 ( -0.626 -1.540 -2.232) 2.783 16.793 ( 0.626 -1.540 2.232) 2.783 17.171 ( -0.011 0.056 -0.081) 0.099 17.171 ( 0.011 0.056 0.081) 0.099 17.329 ( -0.265 0.425 -0.317) 0.593 17.329 ( 0.265 0.425 0.317) 0.593 22.554 ( -0.003 -0.165 -0.337) 0.376 22.554 ( 0.003 -0.165 0.337) 0.376 22.838 ( -0.084 0.251 -0.247) 0.362 22.838 ( 0.084 0.251 0.247) 0.362 26.397 ( 0.068 -0.072 -0.214) 0.235 26.397 ( -0.068 -0.072 0.214) 0.235 26.568 ( 0.002 0.456 -0.039) 0.457 26.568 ( -0.002 0.456 0.039) 0.457 35.601 ( -2.043 -0.676 -1.060) 2.399 35.601 ( 2.043 -0.676 1.060) 2.399 35.799 ( -1.649 0.109 -1.593) 2.295 35.799 ( 1.649 0.109 1.593) 2.295 36.214 ( 1.519 2.050 -1.265) 2.847 36.214 ( -1.519 2.050 1.265) 2.847 37.545 ( -1.764 -4.503 -0.543) 4.866 37.545 ( 1.764 -4.503 0.543) 4.866 ======================= Grid point 269 (132/136) ======================= q-point: ( 0.09 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 4.808 12.726 -10.173) 16.987 2.173 ( 3.885 -7.570 -1.537) 8.647 2.416 ( 9.342 1.443 1.429) 9.560 2.465 ( 7.075 -0.976 1.040) 7.217 2.782 ( 5.547 14.462 -9.392) 18.115 2.975 ( 7.777 -3.137 1.437) 8.508 3.076 ( -2.663 1.300 5.973) 6.668 3.166 ( 2.997 -8.394 2.341) 9.216 3.544 ( -3.414 -2.783 -5.789) 7.274 3.589 ( -8.426 -7.398 -6.841) 13.135 3.957 ( 12.472 5.710 2.914) 14.023 4.066 ( 10.931 -3.812 2.569) 11.858 4.234 ( -2.138 -4.455 -0.126) 4.943 4.252 ( -2.845 -5.458 4.676) 7.730 4.573 ( -1.025 6.193 7.988) 10.159 4.694 ( 2.405 -5.775 11.382) 12.987 4.907 ( -4.501 14.420 -17.152) 22.856 5.003 ( -5.129 2.161 -7.843) 9.617 5.097 ( -3.491 2.117 -1.646) 4.402 5.145 ( -0.203 -1.581 -3.757) 4.082 5.304 ( 0.450 6.852 0.643) 6.897 5.462 ( 1.608 -3.543 -4.327) 5.819 5.524 ( 4.638 16.243 9.582) 19.420 5.573 ( -0.027 5.184 5.496) 7.555 5.618 ( 2.275 1.564 0.300) 2.777 5.742 ( 4.102 -4.097 1.667) 6.033 5.779 ( 4.493 -3.294 -1.211) 5.701 5.859 ( 2.918 -5.870 -3.061) 7.235 5.898 ( -2.328 -2.283 -5.806) 6.659 6.004 ( -3.499 -5.697 2.361) 7.090 6.174 ( 1.682 1.067 2.370) 3.096 6.225 ( 0.294 1.744 -7.652) 7.854 6.275 ( -0.856 -9.230 9.678) 13.401 6.336 ( 0.934 -7.403 -9.977) 12.459 6.407 ( 1.194 8.915 0.482) 9.008 6.504 ( 0.932 -1.187 -3.441) 3.757 6.750 ( 6.384 -0.402 5.150) 8.212 6.813 ( 3.784 -6.291 -4.623) 8.676 6.837 ( 2.679 -1.459 5.843) 6.591 6.925 ( 0.603 -9.321 6.632) 11.456 7.243 ( -1.646 0.275 3.650) 4.014 7.255 ( -1.064 -0.968 3.261) 3.564 7.496 ( -2.654 2.758 -1.482) 4.105 7.544 ( -3.392 -0.575 -0.677) 3.506 7.762 ( 0.911 0.747 -4.690) 4.836 7.820 ( 1.322 -2.338 -4.276) 5.050 7.829 ( -2.353 0.906 4.732) 5.362 7.876 ( 0.170 -3.477 6.827) 7.663 8.423 ( -4.835 13.510 -4.415) 15.013 8.484 ( -4.491 6.957 -3.102) 8.843 8.601 ( -3.481 1.613 -3.994) 5.538 8.760 ( 0.321 -11.999 -1.181) 12.061 8.914 ( -2.875 4.457 0.182) 5.307 8.967 ( -1.049 -0.067 -0.672) 1.247 9.085 ( 0.260 5.770 1.985) 6.107 9.230 ( 3.068 -8.860 4.521) 10.410 9.640 ( -5.127 0.944 -17.817) 18.563 9.671 ( -7.425 -2.065 -13.116) 15.213 10.084 ( -1.821 6.724 17.301) 18.651 10.180 ( 0.080 -3.211 18.464) 18.742 16.683 ( -0.327 2.301 -1.734) 2.900 16.728 ( -0.064 -2.248 -2.154) 3.114 16.796 ( 1.894 1.990 0.926) 2.899 16.837 ( 1.501 -2.193 1.794) 3.206 17.168 ( -0.419 0.182 0.131) 0.475 17.170 ( -0.314 -0.029 0.184) 0.365 17.285 ( -4.101 1.221 -0.810) 4.355 17.301 ( -3.489 -0.450 -0.333) 3.534 22.554 ( 0.079 0.200 0.194) 0.289 22.560 ( -0.007 -0.448 0.735) 0.861 22.825 ( -0.940 0.696 -0.583) 1.307 22.833 ( -0.689 -0.206 -0.167) 0.738 26.401 ( 0.587 0.071 -0.189) 0.621 26.403 ( 0.519 -0.195 0.182) 0.584 26.557 ( -0.559 0.429 -1.022) 1.241 26.558 ( -0.482 0.327 -1.007) 1.163 35.504 ( -3.660 1.719 -3.517) 5.360 35.555 ( -2.516 -3.488 -3.255) 5.393 35.885 ( 9.016 3.152 0.698) 9.576 35.943 ( 10.249 -2.728 1.496) 10.711 36.232 ( 0.845 3.576 3.315) 4.949 36.270 ( 5.391 0.104 2.169) 5.812 37.514 ( -0.264 -0.092 -1.846) 1.867 37.598 ( 4.962 -8.539 -1.416) 9.977 ======================= Grid point 270 (133/136) ======================= q-point: ( 0.18 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 7.295 11.119 -8.433) 15.747 2.172 ( 1.695 -8.925 -6.426) 11.128 2.593 ( 9.674 3.982 -0.408) 10.469 2.628 ( 10.315 2.241 0.644) 10.576 2.808 ( 13.997 16.688 -12.496) 25.111 3.039 ( 9.217 -2.400 -10.701) 14.326 3.186 ( 1.090 -2.196 11.656) 11.911 3.246 ( 1.466 -9.286 5.906) 11.102 3.440 ( -0.779 -4.248 -4.651) 6.347 3.520 ( 4.228 -8.608 -0.214) 9.593 4.135 ( 0.130 4.377 3.705) 5.736 4.187 ( -1.646 -1.563 2.738) 3.557 4.268 ( 4.528 -3.472 4.475) 7.252 4.285 ( 4.964 -4.942 3.845) 7.991 4.631 ( 4.412 11.657 -4.669) 13.309 4.743 ( -4.100 8.629 1.629) 9.692 4.790 ( 1.843 -1.514 -2.908) 3.761 4.860 ( -3.356 -1.909 0.501) 3.893 5.059 ( -0.853 1.077 0.036) 1.374 5.107 ( 0.593 -3.103 -2.888) 4.280 5.285 ( -1.271 6.402 -2.726) 7.074 5.419 ( -3.062 -4.914 -3.867) 6.963 5.587 ( -2.945 6.886 1.459) 7.630 5.623 ( -3.717 1.814 -0.197) 4.141 5.641 ( -1.574 7.774 4.194) 8.972 5.703 ( -1.943 2.564 -5.193) 6.109 5.782 ( -0.179 -4.528 -2.050) 4.974 5.847 ( 4.597 2.023 2.324) 5.534 5.884 ( 2.840 -11.920 -3.046) 12.626 6.028 ( 6.329 -8.958 -7.411) 13.237 6.235 ( 5.017 0.636 3.479) 6.138 6.298 ( 4.468 2.097 5.212) 7.178 6.324 ( 6.813 -4.770 -1.982) 8.550 6.383 ( 4.283 -4.458 2.600) 6.706 6.474 ( 4.269 6.470 2.946) 8.292 6.526 ( 5.586 -1.238 -1.601) 5.941 6.816 ( 1.706 0.054 -3.094) 3.533 6.869 ( 4.044 -3.540 -1.811) 5.671 6.914 ( 2.674 0.500 3.143) 4.156 6.970 ( -1.606 -4.982 4.192) 6.706 7.273 ( -0.536 -0.213 5.702) 5.731 7.285 ( -2.523 -2.089 5.110) 6.070 7.413 ( -5.570 2.397 -3.355) 6.930 7.441 ( -2.511 -0.343 -2.884) 3.839 7.729 ( -0.305 0.567 -2.478) 2.560 7.786 ( 0.970 -4.971 -4.750) 6.944 7.889 ( 1.003 4.461 7.324) 8.634 7.970 ( 1.364 -3.823 7.523) 8.548 8.275 ( -7.450 7.669 -3.622) 11.289 8.355 ( -4.939 0.582 -2.934) 5.774 8.550 ( 1.415 6.694 -2.526) 7.294 8.722 ( -2.624 -11.408 -2.004) 11.876 8.895 ( -2.038 5.676 2.118) 6.392 8.950 ( -1.610 0.887 0.668) 1.956 9.083 ( -1.082 10.588 -2.507) 10.935 9.282 ( -0.972 -6.989 2.234) 7.401 9.364 ( -6.996 -0.309 -15.202) 16.738 9.442 ( -7.451 -5.619 -6.409) 11.321 10.175 ( -7.839 8.748 13.617) 17.984 10.304 ( -7.472 -4.658 15.117) 17.494 16.676 ( 1.286 1.496 -1.044) 2.232 16.707 ( 0.158 -1.500 -1.502) 2.128 16.830 ( 1.221 1.819 -0.072) 2.192 16.868 ( 0.463 -2.052 0.712) 2.220 17.156 ( -1.115 0.421 -1.180) 1.677 17.161 ( -0.644 -0.097 -0.835) 1.059 17.204 ( -4.372 1.249 0.479) 4.572 17.228 ( -4.803 -1.093 0.260) 4.932 22.559 ( 0.007 0.371 0.494) 0.618 22.566 ( -0.258 -0.386 0.687) 0.829 22.800 ( -1.036 1.011 -0.734) 1.623 22.816 ( -0.975 -0.612 -0.365) 1.207 26.411 ( 0.807 0.269 -0.048) 0.852 26.417 ( 0.854 -0.348 0.224) 0.949 26.532 ( -0.647 0.339 -1.567) 1.728 26.535 ( -0.521 0.039 -1.531) 1.618 35.447 ( -0.278 2.336 -0.893) 2.516 35.513 ( 0.058 -4.452 -0.457) 4.476 36.025 ( 9.184 3.890 -2.630) 10.315 36.105 ( 8.860 -4.041 -0.523) 9.752 36.310 ( 3.394 7.450 4.743) 9.461 36.438 ( 10.179 -5.063 4.770) 12.329 37.492 ( 1.110 5.226 -3.720) 6.510 37.666 ( 5.998 -12.222 -2.982) 13.937 ======================= Grid point 271 (134/136) ======================= q-point: ( 0.27 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 1.285 6.174 -5.211) 8.181 2.099 ( -2.170 -6.958 -4.822) 8.740 2.676 ( 9.062 8.307 -12.363) 17.435 2.778 ( 12.611 -0.246 -8.262) 15.078 2.973 ( 17.423 14.435 -7.774) 23.924 3.066 ( 3.515 6.145 -3.941) 8.102 3.254 ( -2.086 -9.230 2.863) 9.887 3.360 ( 6.009 -15.810 3.397) 17.252 3.499 ( 10.509 5.432 1.848) 11.974 3.678 ( 9.222 -9.639 7.170) 15.145 4.060 ( -7.646 3.798 2.595) 8.923 4.164 ( -7.383 -7.786 3.080) 11.163 4.325 ( -0.871 1.384 3.473) 3.839 4.386 ( -1.238 -3.882 4.206) 5.855 4.737 ( 9.717 9.308 -2.529) 13.691 4.785 ( 8.759 5.679 3.425) 10.986 4.816 ( -6.151 0.974 6.599) 9.073 4.839 ( 4.228 -0.066 -0.941) 4.332 4.997 ( -2.769 2.417 -3.900) 5.359 5.074 ( -3.431 -2.311 -1.989) 4.590 5.239 ( -0.086 3.925 -4.409) 5.904 5.311 ( -3.119 -2.872 -2.960) 5.170 5.482 ( -3.901 1.001 -2.244) 4.610 5.549 ( -2.597 -5.533 0.270) 6.118 5.636 ( -1.183 11.090 1.874) 11.309 5.731 ( 1.468 2.487 -0.048) 2.889 5.805 ( 5.176 -0.972 -0.506) 5.291 5.900 ( 1.788 -9.446 -0.180) 9.615 5.967 ( 6.340 0.238 3.692) 7.341 6.094 ( 8.868 -3.281 -2.591) 9.804 6.279 ( -1.123 0.394 -1.399) 1.837 6.354 ( -0.346 -4.603 1.744) 4.934 6.434 ( 6.942 -0.479 -2.664) 7.451 6.449 ( 2.913 0.497 -3.434) 4.530 6.614 ( 7.583 0.531 -2.515) 8.007 6.648 ( 5.783 -0.611 6.903) 9.025 6.754 ( -2.171 -1.155 -6.000) 6.485 6.802 ( -4.940 -3.938 -4.888) 7.988 7.042 ( 6.810 1.898 4.024) 8.134 7.076 ( 10.135 -1.342 4.482) 11.163 7.211 ( -5.648 1.336 -3.039) 6.551 7.228 ( -4.264 0.325 -1.816) 4.646 7.435 ( 5.170 -0.055 4.949) 7.157 7.465 ( 3.485 -2.209 4.147) 5.850 7.706 ( -0.335 1.581 -1.803) 2.421 7.750 ( -0.524 -2.325 -2.989) 3.823 7.968 ( -0.734 4.596 5.267) 7.029 8.023 ( -2.528 -0.956 1.912) 3.311 8.152 ( -4.974 5.934 1.188) 7.833 8.313 ( -1.522 -7.027 3.908) 8.183 8.575 ( 2.107 3.810 0.073) 4.355 8.629 ( -5.479 -3.317 -2.347) 6.821 8.872 ( -2.964 4.593 0.042) 5.467 8.920 ( -3.326 0.028 1.175) 3.527 8.999 ( -1.776 8.641 -6.855) 11.171 9.120 ( -5.719 -0.264 -10.002) 11.525 9.263 ( -1.847 -4.039 0.319) 4.453 9.329 ( -2.773 -6.702 0.138) 7.255 10.112 ( -14.119 9.220 8.079) 18.699 10.251 ( -14.791 -5.124 8.823) 17.968 16.697 ( 1.879 0.374 -0.124) 1.920 16.703 ( 0.605 -0.111 -0.374) 0.720 16.830 ( -0.302 1.784 -1.209) 2.176 16.863 ( -1.221 -1.556 -0.358) 2.010 17.096 ( -2.867 1.285 -1.733) 3.588 17.127 ( -2.100 -1.862 -1.552) 3.207 17.167 ( -2.009 1.048 0.952) 2.458 17.188 ( -1.382 -1.085 1.116) 2.082 22.562 ( -0.251 0.281 0.401) 0.551 22.565 ( -0.466 -0.020 0.227) 0.519 22.781 ( -0.495 0.960 -0.445) 1.168 22.798 ( -0.744 -0.782 -0.275) 1.114 26.425 ( 0.845 0.428 0.136) 0.957 26.433 ( 0.812 -0.507 0.391) 1.034 26.509 ( -0.208 0.205 -1.407) 1.437 26.513 ( -0.235 -0.220 -1.405) 1.442 35.472 ( 2.016 2.070 2.400) 3.756 35.540 ( 1.449 -4.972 2.520) 5.760 36.126 ( 7.598 4.411 -3.282) 9.379 36.218 ( 5.698 -4.434 -0.017) 7.219 36.428 ( 5.072 10.718 4.193) 12.577 36.651 ( 9.533 -11.577 3.525) 15.406 37.474 ( 2.420 10.658 -4.493) 11.817 37.714 ( 4.645 -13.861 -4.586) 15.321 ======================= Grid point 272 (135/136) ======================= q-point: ( 0.36 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 0.092 3.352 1.730) 3.773 2.045 ( -0.679 -5.960 -0.052) 5.999 2.644 ( 8.699 8.294 -20.059) 23.384 2.777 ( 3.943 -5.637 -17.016) 18.354 3.050 ( 0.138 10.039 0.904) 10.081 3.111 ( -4.412 7.754 3.844) 9.714 3.333 ( 17.498 -3.466 -4.745) 18.458 3.519 ( 12.851 -14.678 -1.220) 19.547 3.714 ( 9.749 7.910 3.058) 12.922 3.880 ( 6.366 -7.271 4.349) 10.598 3.986 ( -7.699 1.408 2.588) 8.244 4.077 ( -5.570 -7.580 4.977) 10.641 4.349 ( -1.266 1.137 4.210) 4.541 4.400 ( -2.950 -2.499 7.872) 8.770 4.705 ( -10.838 5.830 4.577) 13.130 4.765 ( -6.128 3.253 4.335) 8.181 4.794 ( -5.561 -1.243 -2.137) 6.086 4.945 ( -3.188 -5.817 -2.368) 7.043 5.019 ( 5.310 5.742 2.667) 8.263 5.106 ( 9.542 -1.775 1.520) 9.824 5.193 ( 1.047 5.310 -3.862) 6.649 5.285 ( 1.510 -3.014 1.010) 3.519 5.461 ( 6.277 5.043 -4.032) 9.005 5.560 ( 3.927 -4.278 -0.352) 5.818 5.673 ( 1.720 10.993 4.357) 11.950 5.755 ( 2.644 4.281 -0.695) 5.079 5.870 ( 1.885 -4.967 0.413) 5.329 5.949 ( 4.362 -9.583 1.251) 10.603 6.128 ( 7.653 4.769 0.061) 9.018 6.167 ( 2.379 5.385 -3.192) 6.697 6.267 ( 2.516 -2.104 0.611) 3.336 6.338 ( -1.153 -5.011 -2.194) 5.591 6.385 ( -5.664 3.305 -4.276) 7.829 6.479 ( 4.076 -3.085 -4.551) 6.845 6.565 ( -2.108 -2.368 -4.342) 5.377 6.631 ( -0.265 -6.272 -6.098) 8.752 6.768 ( 1.556 -1.316 -0.561) 2.114 6.798 ( 0.786 -3.893 0.979) 4.091 7.105 ( 1.420 1.180 1.186) 2.194 7.134 ( -1.514 -1.174 0.982) 2.153 7.274 ( 8.493 4.150 3.883) 10.219 7.333 ( 11.333 -2.372 2.880) 11.932 7.572 ( 4.044 2.199 2.867) 5.423 7.592 ( 6.761 1.559 2.174) 7.271 7.625 ( -4.834 6.758 -3.408) 8.981 7.727 ( 1.475 -3.213 -1.780) 3.958 7.945 ( -3.960 1.345 -0.913) 4.281 7.986 ( -2.784 -0.408 1.616) 3.245 8.138 ( -2.628 2.248 4.752) 5.877 8.268 ( -10.847 -8.975 3.276) 14.455 8.547 ( 0.429 5.137 0.367) 5.168 8.625 ( 0.672 -2.193 2.067) 3.088 8.800 ( -2.419 5.304 -3.360) 6.729 8.872 ( -4.188 -2.340 1.005) 4.901 8.918 ( -1.836 4.090 -3.218) 5.519 8.991 ( -2.215 -0.490 -3.643) 4.292 9.268 ( 2.769 0.387 0.521) 2.844 9.340 ( 4.233 -5.006 -0.138) 6.558 9.912 ( -17.306 8.240 3.139) 19.423 10.038 ( -18.432 -4.808 2.851) 19.261 16.715 ( 0.719 1.100 0.509) 1.409 16.729 ( 1.762 -0.451 0.434) 1.870 16.801 ( -1.139 1.809 -1.674) 2.715 16.831 ( -1.738 -1.238 -0.881) 2.309 17.048 ( -1.382 1.226 -0.624) 1.950 17.082 ( -1.910 -2.040 -0.557) 2.849 17.153 ( -0.757 0.975 0.384) 1.292 17.178 ( -0.732 -1.532 -0.029) 1.698 22.558 ( -0.410 0.304 0.014) 0.511 22.560 ( -0.313 0.079 0.023) 0.324 22.775 ( -0.016 0.612 -0.064) 0.616 22.787 ( -0.429 -0.623 -0.096) 0.762 26.441 ( 0.860 0.497 0.303) 1.038 26.451 ( 0.746 -0.605 0.621) 1.144 26.495 ( -0.214 0.051 -0.937) 0.963 26.499 ( -0.001 -0.339 -1.062) 1.115 35.545 ( 2.465 0.682 3.718) 4.513 35.595 ( 1.296 -4.628 2.991) 5.661 36.203 ( 5.994 5.185 -2.510) 8.314 36.285 ( 2.067 -1.395 0.736) 2.600 36.554 ( 5.184 8.038 4.004) 10.369 36.781 ( 3.945 -14.012 -0.309) 14.560 37.489 ( 4.265 11.447 -2.176) 12.408 37.711 ( 1.537 -11.609 -5.473) 12.926 ======================= Grid point 273 (136/136) ======================= q-point: ( 0.45 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 231 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 1.235 1.294 6.095) 6.352 2.058 ( 0.300 -3.283 0.069) 3.297 2.568 ( 4.992 3.710 -11.403) 12.989 2.625 ( -2.777 -2.145 -9.321) 9.960 3.056 ( -1.518 5.386 2.586) 6.164 3.069 ( -1.832 3.581 0.199) 4.027 3.581 ( 15.170 0.412 -1.559) 15.255 3.711 ( 8.655 -11.341 -2.774) 14.534 3.834 ( -3.629 2.128 -1.338) 4.415 3.864 ( 7.101 -0.256 -0.299) 7.112 3.978 ( -4.158 -0.946 1.664) 4.577 4.019 ( -8.828 -4.741 6.050) 11.705 4.372 ( 0.967 6.648 4.786) 8.248 4.459 ( -2.410 1.542 2.248) 3.638 4.621 ( -2.813 5.043 4.299) 7.199 4.668 ( -2.728 1.054 -0.749) 3.019 4.760 ( -0.244 -8.717 0.227) 8.723 4.831 ( -5.499 -9.768 -3.736) 11.815 5.088 ( 1.163 6.538 2.673) 7.158 5.131 ( -3.114 6.457 1.193) 7.267 5.254 ( 6.099 -5.474 -1.370) 8.309 5.314 ( -2.808 -7.202 2.685) 8.183 5.575 ( 6.871 4.584 -0.224) 8.263 5.629 ( 1.258 -0.191 0.843) 1.526 5.752 ( 4.213 6.966 -0.120) 8.142 5.830 ( 4.114 7.219 0.006) 8.308 5.862 ( 1.667 3.436 1.529) 4.113 6.039 ( -3.157 6.843 -4.847) 8.960 6.093 ( 4.863 -1.923 0.373) 5.243 6.178 ( -3.077 0.240 -2.474) 3.956 6.243 ( 0.021 -7.104 -3.257) 7.815 6.291 ( -4.198 -9.512 0.328) 10.402 6.396 ( 8.337 7.116 2.351) 11.210 6.479 ( 0.942 1.168 -2.876) 3.244 6.577 ( 5.525 -3.431 -3.072) 7.193 6.638 ( 3.671 -6.208 1.789) 7.431 6.687 ( -7.890 0.947 -1.802) 8.149 6.746 ( -6.222 -3.205 -0.341) 7.007 7.192 ( 5.548 0.939 3.239) 6.492 7.235 ( 7.691 -3.674 4.664) 9.716 7.357 ( -1.874 4.918 -2.637) 5.887 7.424 ( -6.117 -0.689 -1.540) 6.346 7.493 ( 3.690 0.517 -0.097) 3.727 7.569 ( -3.626 -3.127 -3.378) 5.859 7.751 ( 6.789 3.939 1.483) 7.987 7.815 ( 5.126 -4.346 1.032) 6.799 7.877 ( -0.756 3.289 -1.400) 3.653 7.944 ( -3.605 -3.912 -0.728) 5.369 8.112 ( -2.511 5.537 3.881) 7.212 8.172 ( -5.701 0.767 2.539) 6.288 8.579 ( 1.897 1.755 1.283) 2.885 8.631 ( -1.603 -3.006 -0.910) 3.526 8.772 ( 2.165 4.039 -1.096) 4.712 8.817 ( -4.058 0.919 1.256) 4.346 8.879 ( 0.454 -0.774 -0.253) 0.933 8.925 ( -2.969 -3.293 -1.800) 4.785 9.378 ( 9.536 3.768 0.684) 10.276 9.448 ( 7.016 -2.602 -0.221) 7.486 9.675 ( -11.469 4.963 0.939) 12.532 9.763 ( -15.797 -3.689 -0.491) 16.229 16.735 ( 0.821 1.779 1.015) 2.207 16.758 ( 0.498 0.349 -0.092) 0.615 16.768 ( -0.146 0.567 -0.633) 0.862 16.795 ( -1.500 -1.216 -0.925) 2.141 17.038 ( 0.209 0.687 0.153) 0.734 17.053 ( -1.206 -0.664 -0.322) 1.414 17.152 ( 0.069 -0.241 0.484) 0.545 17.164 ( -0.606 -1.313 -0.584) 1.560 22.553 ( -0.073 0.263 -0.029) 0.274 22.555 ( -0.211 0.114 -0.038) 0.243 22.777 ( 0.179 0.177 0.074) 0.262 22.781 ( -0.266 -0.258 -0.055) 0.375 26.458 ( 0.808 0.516 0.477) 1.071 26.468 ( 0.351 -0.309 0.419) 0.628 26.481 ( -0.349 -0.112 -0.352) 0.508 26.488 ( -0.200 -0.628 -0.800) 1.036 35.611 ( 1.459 -1.449 2.214) 3.022 35.630 ( 0.112 -3.411 0.830) 3.512 36.264 ( 4.063 5.282 -1.476) 6.825 36.297 ( -1.445 3.090 0.848) 3.515 36.677 ( 4.132 0.469 4.840) 6.381 36.773 ( -1.354 -8.211 -4.048) 9.254 37.562 ( 4.371 3.929 1.980) 6.202 37.652 ( -1.923 -5.275 -4.735) 7.345 =================== 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 3/38808 10.0 1980.041 1330.038 1743.561 0.000 20.647 0.000 3/38808 20.0 244.664 168.191 221.098 0.000 -9.865 0.000 3/38808 30.0 68.416 47.430 62.964 0.000 -1.765 0.000 3/38808 40.0 29.927 20.800 27.861 0.000 -0.777 0.000 3/38808 50.0 16.910 11.710 15.792 0.000 -0.499 0.000 3/38808 60.0 11.181 7.711 10.435 0.000 -0.368 0.000 3/38808 70.0 8.186 5.633 7.624 0.000 -0.290 0.000 3/38808 80.0 6.418 4.414 5.961 0.000 -0.238 0.000 3/38808 90.0 5.278 3.633 4.888 0.000 -0.200 0.000 3/38808 100.0 4.490 3.096 4.146 0.000 -0.172 0.000 3/38808 110.0 3.916 2.706 3.606 0.000 -0.150 0.000 3/38808 120.0 3.480 2.409 3.196 0.000 -0.133 0.000 3/38808 130.0 3.137 2.176 2.874 0.000 -0.119 0.000 3/38808 140.0 2.860 1.988 2.614 0.000 -0.108 0.000 3/38808 150.0 2.631 1.832 2.401 0.000 -0.098 0.000 3/38808 160.0 2.438 1.700 2.221 0.000 -0.090 0.000 3/38808 170.0 2.274 1.588 2.068 0.000 -0.083 0.000 3/38808 180.0 2.131 1.490 1.936 0.000 -0.077 0.000 3/38808 190.0 2.007 1.404 1.820 0.000 -0.072 0.000 3/38808 200.0 1.897 1.328 1.719 0.000 -0.068 0.000 3/38808 210.0 1.799 1.261 1.628 0.000 -0.064 0.000 3/38808 220.0 1.711 1.200 1.547 0.000 -0.060 0.000 3/38808 230.0 1.632 1.145 1.474 0.000 -0.057 0.000 3/38808 240.0 1.560 1.095 1.408 0.000 -0.054 0.000 3/38808 250.0 1.494 1.050 1.348 0.000 -0.052 0.000 3/38808 260.0 1.434 1.008 1.293 0.000 -0.050 0.000 3/38808 270.0 1.379 0.970 1.243 0.000 -0.047 0.000 3/38808 280.0 1.329 0.935 1.197 0.000 -0.046 0.000 3/38808 290.0 1.282 0.902 1.154 0.000 -0.044 0.000 3/38808 300.0 1.238 0.872 1.114 0.000 -0.042 0.000 3/38808 310.0 1.197 0.844 1.077 0.000 -0.041 0.000 3/38808 320.0 1.160 0.817 1.042 0.000 -0.039 0.000 3/38808 330.0 1.124 0.793 1.010 0.000 -0.038 0.000 3/38808 340.0 1.091 0.770 0.980 0.000 -0.037 0.000 3/38808 350.0 1.060 0.748 0.951 0.000 -0.036 0.000 3/38808 360.0 1.031 0.728 0.925 0.000 -0.035 0.000 3/38808 370.0 1.003 0.709 0.900 0.000 -0.034 0.000 3/38808 380.0 0.977 0.690 0.876 0.000 -0.033 0.000 3/38808 390.0 0.952 0.673 0.853 0.000 -0.032 0.000 3/38808 400.0 0.929 0.657 0.832 0.000 -0.031 0.000 3/38808 410.0 0.907 0.642 0.812 0.000 -0.030 0.000 3/38808 420.0 0.886 0.627 0.793 0.000 -0.029 0.000 3/38808 430.0 0.866 0.613 0.775 0.000 -0.029 0.000 3/38808 440.0 0.847 0.600 0.757 0.000 -0.028 0.000 3/38808 450.0 0.829 0.587 0.741 0.000 -0.027 0.000 3/38808 460.0 0.811 0.575 0.725 0.000 -0.027 0.000 3/38808 470.0 0.795 0.564 0.710 0.000 -0.026 0.000 3/38808 480.0 0.779 0.553 0.695 0.000 -0.026 0.000 3/38808 490.0 0.764 0.542 0.681 0.000 -0.025 0.000 3/38808 500.0 0.749 0.532 0.668 0.000 -0.025 0.000 3/38808 510.0 0.735 0.522 0.655 0.000 -0.024 0.000 3/38808 520.0 0.722 0.513 0.643 0.000 -0.024 0.000 3/38808 530.0 0.709 0.504 0.631 0.000 -0.023 0.000 3/38808 540.0 0.696 0.495 0.620 0.000 -0.023 0.000 3/38808 550.0 0.684 0.487 0.609 0.000 -0.022 0.000 3/38808 560.0 0.673 0.479 0.599 0.000 -0.022 0.000 3/38808 570.0 0.662 0.471 0.589 0.000 -0.022 0.000 3/38808 580.0 0.651 0.464 0.579 0.000 -0.021 0.000 3/38808 590.0 0.641 0.457 0.569 0.000 -0.021 0.000 3/38808 600.0 0.631 0.450 0.560 0.000 -0.021 0.000 3/38808 610.0 0.621 0.443 0.551 0.000 -0.020 0.000 3/38808 620.0 0.612 0.436 0.543 0.000 -0.020 0.000 3/38808 630.0 0.602 0.430 0.535 0.000 -0.020 0.000 3/38808 640.0 0.594 0.424 0.527 0.000 -0.019 0.000 3/38808 650.0 0.585 0.418 0.519 0.000 -0.019 0.000 3/38808 660.0 0.577 0.412 0.511 0.000 -0.019 0.000 3/38808 670.0 0.569 0.407 0.504 0.000 -0.019 0.000 3/38808 680.0 0.561 0.401 0.497 0.000 -0.018 0.000 3/38808 690.0 0.554 0.396 0.490 0.000 -0.018 0.000 3/38808 700.0 0.546 0.391 0.484 0.000 -0.018 0.000 3/38808 710.0 0.539 0.386 0.477 0.000 -0.018 0.000 3/38808 720.0 0.532 0.381 0.471 0.000 -0.017 0.000 3/38808 730.0 0.525 0.377 0.465 0.000 -0.017 0.000 3/38808 740.0 0.519 0.372 0.459 0.000 -0.017 0.000 3/38808 750.0 0.512 0.367 0.453 0.000 -0.017 0.000 3/38808 760.0 0.506 0.363 0.447 0.000 -0.016 0.000 3/38808 770.0 0.500 0.359 0.442 0.000 -0.016 0.000 3/38808 780.0 0.494 0.355 0.436 0.000 -0.016 0.000 3/38808 790.0 0.488 0.351 0.431 0.000 -0.016 0.000 3/38808 800.0 0.483 0.347 0.426 0.000 -0.016 0.000 3/38808 810.0 0.477 0.343 0.421 0.000 -0.015 0.000 3/38808 820.0 0.472 0.339 0.416 0.000 -0.015 0.000 3/38808 830.0 0.467 0.336 0.411 0.000 -0.015 0.000 3/38808 840.0 0.462 0.332 0.407 0.000 -0.015 0.000 3/38808 850.0 0.457 0.328 0.402 0.000 -0.015 0.000 3/38808 860.0 0.452 0.325 0.398 0.000 -0.015 0.000 3/38808 870.0 0.447 0.322 0.393 0.000 -0.014 0.000 3/38808 880.0 0.442 0.318 0.389 0.000 -0.014 0.000 3/38808 890.0 0.438 0.315 0.385 0.000 -0.014 0.000 3/38808 900.0 0.433 0.312 0.381 0.000 -0.014 0.000 3/38808 910.0 0.429 0.309 0.377 0.000 -0.014 0.000 3/38808 920.0 0.425 0.306 0.373 0.000 -0.014 0.000 3/38808 930.0 0.421 0.303 0.369 0.000 -0.014 0.000 3/38808 940.0 0.416 0.300 0.366 0.000 -0.013 0.000 3/38808 950.0 0.412 0.297 0.362 0.000 -0.013 0.000 3/38808 960.0 0.409 0.295 0.359 0.000 -0.013 0.000 3/38808 970.0 0.405 0.292 0.355 0.000 -0.013 0.000 3/38808 980.0 0.401 0.289 0.352 0.000 -0.013 0.000 3/38808 990.0 0.397 0.287 0.348 0.000 -0.013 0.000 3/38808 1000.0 0.394 0.284 0.345 0.000 -0.013 0.000 3/38808 Thermal conductivity related properties were written into "kappa-m1176.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:58:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|