----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:15:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] 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 5.914735061801446 0.000000000000000 0.000000000000000 b 0.000000000000000 10.280526650000001 0.000000000000000 c -1.200329618753688 0.000000000000000 7.323996737246140 Atomic positions (fractional): *1 K 0.25300555884461 0.08289066340960 0.83046671842426 39.098 2 K 0.74699444115539 0.58289066340960 0.66953328157574 39.098 3 K 0.74699444115539 0.91710933659040 0.16953328157574 39.098 4 K 0.25300555884461 0.41710933659040 0.33046671842426 39.098 *5 K 0.76659279613706 0.22930936248420 0.52421623246852 39.098 6 K 0.23340720386294 0.72930936248419 0.97578376753148 39.098 7 K 0.23340720386294 0.77069063751581 0.47578376753148 39.098 8 K 0.76659279613706 0.27069063751581 0.02421623246852 39.098 *9 P 0.28202504503217 0.07512255391034 0.27914666291640 30.974 10 P 0.71797495496783 0.92487744608966 0.72085333708360 30.974 11 P 0.28202504503217 0.42487744608966 0.77914666291640 30.974 12 P 0.71797495496783 0.57512255391034 0.22085333708360 30.974 *13 O 0.53295594249944 0.85067756553281 0.79872409370854 15.999 14 O 0.53295594249944 0.64932243446719 0.29872409370854 15.999 *15 O 0.22113399552134 0.94583054872267 0.18256260386871 15.999 *16 O 0.39252713594335 0.46028441591964 0.99827038280383 15.999 17 O 0.60747286405665 0.96028441591964 0.50172961719617 15.999 18 O 0.77886600447866 0.44583054872267 0.31743739613129 15.999 *19 O 0.92119139038552 0.84419171532832 0.68397598420678 15.999 20 O 0.92119139038552 0.65580828467168 0.18397598420678 15.999 21 O 0.46704405750056 0.14932243446719 0.20127590629146 15.999 22 O 0.07880860961448 0.34419171532832 0.81602401579322 15.999 23 O 0.39252713594335 0.03971558408036 0.49827038280383 15.999 24 O 0.60747286405665 0.53971558408036 0.00172961719617 15.999 25 O 0.46704405750056 0.35067756553281 0.70127590629146 15.999 26 O 0.77886600447866 0.05416945127733 0.81743739613129 15.999 27 O 0.07880860961448 0.15580828467168 0.31602401579322 15.999 28 O 0.22113399552134 0.55416945127733 0.68256260386871 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.914735061801446 0.000000000000000 0.000000000000000 b 0.000000000000000 10.280526650000001 0.000000000000000 c -1.200329618753688 0.000000000000000 7.323996737246140 Atomic positions (fractional): *1 K 0.25300555884461 0.08289066340960 0.83046671842426 39.098 > 1 2 K 0.74699444115539 0.58289066340960 0.66953328157574 39.098 > 2 3 K 0.74699444115539 0.91710933659040 0.16953328157574 39.098 > 3 4 K 0.25300555884461 0.41710933659040 0.33046671842426 39.098 > 4 *5 K 0.76659279613706 0.22930936248420 0.52421623246852 39.098 > 5 6 K 0.23340720386294 0.72930936248419 0.97578376753148 39.098 > 6 7 K 0.23340720386294 0.77069063751581 0.47578376753148 39.098 > 7 8 K 0.76659279613706 0.27069063751581 0.02421623246852 39.098 > 8 *9 P 0.28202504503217 0.07512255391034 0.27914666291640 30.974 > 9 10 P 0.71797495496783 0.92487744608966 0.72085333708360 30.974 > 10 11 P 0.28202504503217 0.42487744608966 0.77914666291640 30.974 > 11 12 P 0.71797495496783 0.57512255391034 0.22085333708360 30.974 > 12 *13 O 0.53295594249944 0.85067756553281 0.79872409370854 15.999 > 13 14 O 0.53295594249944 0.64932243446719 0.29872409370854 15.999 > 14 *15 O 0.22113399552134 0.94583054872267 0.18256260386871 15.999 > 15 *16 O 0.39252713594335 0.46028441591964 0.99827038280383 15.999 > 16 17 O 0.60747286405665 0.96028441591964 0.50172961719617 15.999 > 17 18 O 0.77886600447866 0.44583054872267 0.31743739613129 15.999 > 18 *19 O 0.92119139038552 0.84419171532832 0.68397598420678 15.999 > 19 20 O 0.92119139038552 0.65580828467168 0.18397598420678 15.999 > 20 21 O 0.46704405750056 0.14932243446719 0.20127590629146 15.999 > 21 22 O 0.07880860961448 0.34419171532832 0.81602401579322 15.999 > 22 23 O 0.39252713594335 0.03971558408036 0.49827038280383 15.999 > 23 24 O 0.60747286405665 0.53971558408036 0.00172961719617 15.999 > 24 25 O 0.46704405750056 0.35067756553281 0.70127590629146 15.999 > 25 26 O 0.77886600447866 0.05416945127733 0.81743739613129 15.999 > 26 27 O 0.07880860961448 0.15580828467168 0.31602401579322 15.999 > 27 28 O 0.22113399552134 0.55416945127733 0.68256260386871 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.829470123602892 0.000000000000000 0.000000000000000 b 0.000000000000000 10.280526650000001 0.000000000000000 c -2.400659237507376 0.000000000000000 14.647993474492280 Atomic positions (fractional): *1 K 0.12650277942231 0.08289066340960 0.41523335921213 39.098 > 1 2 K 0.62650277942231 0.08289066340960 0.41523335921213 39.098 > 1 3 K 0.12650277942231 0.08289066340960 0.91523335921213 39.098 > 1 4 K 0.62650277942231 0.08289066340960 0.91523335921213 39.098 > 1 5 K 0.37349722057769 0.58289066340960 0.33476664078787 39.098 > 2 6 K 0.87349722057769 0.58289066340960 0.33476664078787 39.098 > 2 7 K 0.37349722057769 0.58289066340960 0.83476664078787 39.098 > 2 8 K 0.87349722057769 0.58289066340960 0.83476664078787 39.098 > 2 9 K 0.37349722057769 0.91710933659040 0.08476664078787 39.098 > 3 10 K 0.87349722057769 0.91710933659040 0.08476664078787 39.098 > 3 11 K 0.37349722057769 0.91710933659040 0.58476664078787 39.098 > 3 12 K 0.87349722057769 0.91710933659040 0.58476664078787 39.098 > 3 13 K 0.12650277942231 0.41710933659040 0.16523335921213 39.098 > 4 14 K 0.62650277942231 0.41710933659040 0.16523335921213 39.098 > 4 15 K 0.12650277942231 0.41710933659040 0.66523335921213 39.098 > 4 16 K 0.62650277942231 0.41710933659040 0.66523335921213 39.098 > 4 *17 K 0.38329639806853 0.22930936248420 0.26210811623426 39.098 > 5 18 K 0.88329639806853 0.22930936248420 0.26210811623426 39.098 > 5 19 K 0.38329639806853 0.22930936248420 0.76210811623426 39.098 > 5 20 K 0.88329639806853 0.22930936248420 0.76210811623426 39.098 > 5 21 K 0.11670360193147 0.72930936248419 0.48789188376574 39.098 > 6 22 K 0.61670360193147 0.72930936248419 0.48789188376574 39.098 > 6 23 K 0.11670360193147 0.72930936248419 0.98789188376574 39.098 > 6 24 K 0.61670360193147 0.72930936248419 0.98789188376574 39.098 > 6 25 K 0.11670360193147 0.77069063751581 0.23789188376574 39.098 > 7 26 K 0.61670360193147 0.77069063751581 0.23789188376574 39.098 > 7 27 K 0.11670360193147 0.77069063751581 0.73789188376574 39.098 > 7 28 K 0.61670360193147 0.77069063751581 0.73789188376574 39.098 > 7 29 K 0.38329639806853 0.27069063751581 0.01210811623426 39.098 > 8 30 K 0.88329639806853 0.27069063751581 0.01210811623426 39.098 > 8 31 K 0.38329639806853 0.27069063751581 0.51210811623426 39.098 > 8 32 K 0.88329639806853 0.27069063751581 0.51210811623426 39.098 > 8 *33 P 0.14101252251608 0.07512255391034 0.13957333145820 30.974 > 9 34 P 0.64101252251608 0.07512255391034 0.13957333145820 30.974 > 9 35 P 0.14101252251608 0.07512255391034 0.63957333145820 30.974 > 9 36 P 0.64101252251608 0.07512255391034 0.63957333145820 30.974 > 9 37 P 0.35898747748392 0.92487744608966 0.36042666854180 30.974 > 10 38 P 0.85898747748392 0.92487744608966 0.36042666854180 30.974 > 10 39 P 0.35898747748392 0.92487744608966 0.86042666854180 30.974 > 10 40 P 0.85898747748392 0.92487744608966 0.86042666854180 30.974 > 10 41 P 0.14101252251608 0.42487744608966 0.38957333145820 30.974 > 11 42 P 0.64101252251608 0.42487744608966 0.38957333145820 30.974 > 11 43 P 0.14101252251608 0.42487744608966 0.88957333145820 30.974 > 11 44 P 0.64101252251608 0.42487744608966 0.88957333145820 30.974 > 11 45 P 0.35898747748392 0.57512255391034 0.11042666854180 30.974 > 12 46 P 0.85898747748392 0.57512255391034 0.11042666854180 30.974 > 12 47 P 0.35898747748392 0.57512255391034 0.61042666854180 30.974 > 12 48 P 0.85898747748392 0.57512255391034 0.61042666854180 30.974 > 12 *49 O 0.26647797124972 0.85067756553281 0.39936204685427 15.999 > 13 50 O 0.76647797124972 0.85067756553281 0.39936204685427 15.999 > 13 51 O 0.26647797124972 0.85067756553281 0.89936204685427 15.999 > 13 52 O 0.76647797124972 0.85067756553281 0.89936204685427 15.999 > 13 53 O 0.26647797124972 0.64932243446719 0.14936204685427 15.999 > 14 54 O 0.76647797124972 0.64932243446719 0.14936204685427 15.999 > 14 55 O 0.26647797124972 0.64932243446719 0.64936204685427 15.999 > 14 56 O 0.76647797124972 0.64932243446719 0.64936204685427 15.999 > 14 *57 O 0.11056699776067 0.94583054872267 0.09128130193436 15.999 > 15 58 O 0.61056699776067 0.94583054872267 0.09128130193436 15.999 > 15 59 O 0.11056699776067 0.94583054872267 0.59128130193436 15.999 > 15 60 O 0.61056699776067 0.94583054872267 0.59128130193436 15.999 > 15 *61 O 0.19626356797167 0.46028441591964 0.49913519140192 15.999 > 16 62 O 0.69626356797167 0.46028441591964 0.49913519140192 15.999 > 16 63 O 0.19626356797167 0.46028441591964 0.99913519140192 15.999 > 16 64 O 0.69626356797167 0.46028441591964 0.99913519140192 15.999 > 16 65 O 0.30373643202833 0.96028441591964 0.25086480859808 15.999 > 17 66 O 0.80373643202833 0.96028441591964 0.25086480859808 15.999 > 17 67 O 0.30373643202833 0.96028441591964 0.75086480859808 15.999 > 17 68 O 0.80373643202833 0.96028441591964 0.75086480859808 15.999 > 17 69 O 0.38943300223933 0.44583054872267 0.15871869806564 15.999 > 18 70 O 0.88943300223933 0.44583054872267 0.15871869806564 15.999 > 18 71 O 0.38943300223933 0.44583054872267 0.65871869806564 15.999 > 18 72 O 0.88943300223933 0.44583054872267 0.65871869806564 15.999 > 18 *73 O 0.46059569519276 0.84419171532832 0.34198799210339 15.999 > 19 74 O 0.96059569519276 0.84419171532832 0.34198799210339 15.999 > 19 75 O 0.46059569519276 0.84419171532832 0.84198799210339 15.999 > 19 76 O 0.96059569519276 0.84419171532832 0.84198799210339 15.999 > 19 77 O 0.46059569519276 0.65580828467168 0.09198799210339 15.999 > 20 78 O 0.96059569519276 0.65580828467168 0.09198799210339 15.999 > 20 79 O 0.46059569519276 0.65580828467168 0.59198799210339 15.999 > 20 80 O 0.96059569519276 0.65580828467168 0.59198799210339 15.999 > 20 81 O 0.23352202875028 0.14932243446719 0.10063795314573 15.999 > 21 82 O 0.73352202875028 0.14932243446719 0.10063795314573 15.999 > 21 83 O 0.23352202875028 0.14932243446719 0.60063795314573 15.999 > 21 84 O 0.73352202875028 0.14932243446719 0.60063795314573 15.999 > 21 85 O 0.03940430480724 0.34419171532832 0.40801200789661 15.999 > 22 86 O 0.53940430480724 0.34419171532832 0.40801200789661 15.999 > 22 87 O 0.03940430480724 0.34419171532832 0.90801200789661 15.999 > 22 88 O 0.53940430480724 0.34419171532832 0.90801200789661 15.999 > 22 89 O 0.19626356797167 0.03971558408036 0.24913519140192 15.999 > 23 90 O 0.69626356797167 0.03971558408036 0.24913519140192 15.999 > 23 91 O 0.19626356797167 0.03971558408036 0.74913519140192 15.999 > 23 92 O 0.69626356797167 0.03971558408036 0.74913519140192 15.999 > 23 93 O 0.30373643202833 0.53971558408036 0.00086480859808 15.999 > 24 94 O 0.80373643202833 0.53971558408036 0.00086480859808 15.999 > 24 95 O 0.30373643202833 0.53971558408036 0.50086480859808 15.999 > 24 96 O 0.80373643202833 0.53971558408036 0.50086480859808 15.999 > 24 97 O 0.23352202875028 0.35067756553281 0.35063795314573 15.999 > 25 98 O 0.73352202875028 0.35067756553281 0.35063795314573 15.999 > 25 99 O 0.23352202875028 0.35067756553281 0.85063795314573 15.999 > 25 100 O 0.73352202875028 0.35067756553281 0.85063795314573 15.999 > 25 101 O 0.38943300223933 0.05416945127733 0.40871869806564 15.999 > 26 102 O 0.88943300223933 0.05416945127733 0.40871869806564 15.999 > 26 103 O 0.38943300223933 0.05416945127733 0.90871869806564 15.999 > 26 104 O 0.88943300223933 0.05416945127733 0.90871869806564 15.999 > 26 105 O 0.03940430480724 0.15580828467168 0.15801200789661 15.999 > 27 106 O 0.53940430480724 0.15580828467168 0.15801200789661 15.999 > 27 107 O 0.03940430480724 0.15580828467168 0.65801200789661 15.999 > 27 108 O 0.53940430480724 0.15580828467168 0.65801200789661 15.999 > 27 109 O 0.11056699776067 0.55416945127733 0.34128130193436 15.999 > 28 110 O 0.61056699776067 0.55416945127733 0.34128130193436 15.999 > 28 111 O 0.11056699776067 0.55416945127733 0.84128130193436 15.999 > 28 112 O 0.61056699776067 0.55416945127733 0.84128130193436 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5412825 0.0000000 0.1131602 0.0000000 2.4558321 0.0000000 0.1131602 0.0000000 2.4587137 -------------------------- Born effective charges -------------------------- 1 K 1.2005121 0.0685103 -0.0505845 -0.0256201 1.1619137 -0.0003042 -0.0474630 0.0805292 1.2035144 2 K 1.2005121 -0.0685103 -0.0505845 0.0256201 1.1619137 0.0003042 -0.0474630 -0.0805292 1.2035144 3 K 1.2005121 0.0685103 -0.0505845 -0.0256201 1.1619137 -0.0003042 -0.0474630 0.0805292 1.2035144 4 K 1.2005121 -0.0685103 -0.0505845 0.0256201 1.1619137 0.0003042 -0.0474630 -0.0805292 1.2035144 5 K 1.2553546 0.0491766 -0.0420436 0.0304024 1.2953763 0.0761500 -0.0420516 0.0036085 1.1944277 6 K 1.2553546 -0.0491766 -0.0420436 -0.0304024 1.2953763 -0.0761500 -0.0420516 -0.0036085 1.1944277 7 K 1.2553546 0.0491766 -0.0420436 0.0304024 1.2953763 0.0761500 -0.0420516 0.0036085 1.1944277 8 K 1.2553546 -0.0491766 -0.0420436 -0.0304024 1.2953763 -0.0761500 -0.0420516 -0.0036085 1.1944277 9 P 2.6941536 0.2098771 0.3281367 0.1264480 2.7735844 -0.1770140 -0.2227295 0.2565985 2.9776744 10 P 2.6941536 0.2098771 0.3281367 0.1264480 2.7735844 -0.1770140 -0.2227295 0.2565985 2.9776744 11 P 2.6941536 -0.2098771 0.3281367 -0.1264480 2.7735844 0.1770140 -0.2227295 -0.2565985 2.9776744 12 P 2.6941536 -0.2098771 0.3281367 -0.1264480 2.7735844 0.1770140 -0.2227295 -0.2565985 2.9776744 13 O -1.5862835 -0.3697336 0.1820669 -0.4533778 -1.4099710 0.1974831 0.3948089 0.1502490 -1.3479883 14 O -1.5862835 0.3697336 0.1820669 0.4533778 -1.4099710 -0.1974831 0.3948089 -0.1502490 -1.3479883 15 O -1.2179754 -0.3524570 -0.1660503 -0.1584695 -1.7777760 -0.2666609 -0.0393324 -0.5360458 -1.4135227 16 O -0.5286450 0.0725205 -0.2296957 0.0540909 -0.5841555 -0.2028841 -0.0784453 -0.0854460 -1.3873421 17 O -0.5286450 -0.0725205 -0.2296957 -0.0540909 -0.5841555 0.2028841 -0.0784453 0.0854460 -1.3873421 18 O -1.2179754 0.3524570 -0.1660503 0.1584695 -1.7777760 0.2666609 -0.0393324 0.5360458 -1.4135227 19 O -1.8171164 0.4470593 -0.0218295 0.4881314 -1.4589719 -0.0095209 0.0352129 -0.0377197 -1.2267634 20 O -1.8171164 -0.4470593 -0.0218295 -0.4881314 -1.4589719 0.0095209 0.0352129 0.0377197 -1.2267634 21 O -1.5862835 -0.3697336 0.1820669 -0.4533778 -1.4099710 0.1974831 0.3948089 0.1502490 -1.3479883 22 O -1.8171164 -0.4470593 -0.0218295 -0.4881314 -1.4589719 0.0095209 0.0352129 0.0377197 -1.2267634 23 O -0.5286450 -0.0725205 -0.2296957 -0.0540909 -0.5841555 0.2028841 -0.0784453 0.0854460 -1.3873421 24 O -0.5286450 0.0725205 -0.2296957 0.0540909 -0.5841555 -0.2028841 -0.0784453 -0.0854460 -1.3873421 25 O -1.5862835 0.3697336 0.1820669 0.4533778 -1.4099710 -0.1974831 0.3948089 -0.1502490 -1.3479883 26 O -1.2179754 -0.3524570 -0.1660503 -0.1584695 -1.7777760 -0.2666609 -0.0393324 -0.5360458 -1.4135227 27 O -1.8171164 0.4470593 -0.0218295 0.4881314 -1.4589719 -0.0095209 0.0352129 -0.0377197 -1.2267634 28 O -1.2179754 0.3524570 -0.1660503 0.1584695 -1.7777760 0.2666609 -0.0393324 0.5360458 -1.4135227 ---------------------------------------------------------------------------- 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) 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: 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) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 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, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), 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 ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 880 - Time: 2.328 Solver_block: 200 / 880 - Time: 2.361 Solver_block: 300 / 880 - Time: 1.895 Solver_block: 400 / 880 - Time: 0.857 Solver_block: 500 / 880 - Time: 0.887 Solver_block: 600 / 880 - Time: 1.017 Solver_block: 700 / 880 - Time: 2.680 Solver_block: 800 / 880 - Time: 2.342 Solver_block: 880 / 880 - Time: 1.592 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.342 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 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: 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) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 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, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 11), data: (500, 25) @ (25, 11) |-- (250, 239), data: True |-- (250, 236), 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 Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:16:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:16:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.914735061801446 0.000000000000000 0.000000000000000 b 0.000000000000000 10.280526650000001 0.000000000000000 c -1.200329618753688 0.000000000000000 7.323996737246140 Atomic positions (fractional): 1 K 0.25300555884461 0.08289066340960 0.83046671842426 39.098 2 K 0.74699444115539 0.58289066340960 0.66953328157574 39.098 3 K 0.74699444115539 0.91710933659040 0.16953328157574 39.098 4 K 0.25300555884461 0.41710933659040 0.33046671842426 39.098 5 K 0.76659279613706 0.22930936248420 0.52421623246852 39.098 6 K 0.23340720386294 0.72930936248419 0.97578376753148 39.098 7 K 0.23340720386294 0.77069063751581 0.47578376753148 39.098 8 K 0.76659279613706 0.27069063751581 0.02421623246852 39.098 9 P 0.28202504503217 0.07512255391034 0.27914666291640 30.974 10 P 0.71797495496783 0.92487744608966 0.72085333708360 30.974 11 P 0.28202504503217 0.42487744608966 0.77914666291640 30.974 12 P 0.71797495496783 0.57512255391034 0.22085333708360 30.974 13 O 0.53295594249944 0.85067756553281 0.79872409370854 15.999 14 O 0.53295594249944 0.64932243446719 0.29872409370854 15.999 15 O 0.22113399552134 0.94583054872267 0.18256260386871 15.999 16 O 0.39252713594335 0.46028441591964 0.99827038280383 15.999 17 O 0.60747286405665 0.96028441591964 0.50172961719617 15.999 18 O 0.77886600447866 0.44583054872267 0.31743739613129 15.999 19 O 0.92119139038552 0.84419171532832 0.68397598420678 15.999 20 O 0.92119139038552 0.65580828467168 0.18397598420678 15.999 21 O 0.46704405750056 0.14932243446719 0.20127590629146 15.999 22 O 0.07880860961448 0.34419171532832 0.81602401579322 15.999 23 O 0.39252713594335 0.03971558408036 0.49827038280383 15.999 24 O 0.60747286405665 0.53971558408036 0.00172961719617 15.999 25 O 0.46704405750056 0.35067756553281 0.70127590629146 15.999 26 O 0.77886600447866 0.05416945127733 0.81743739613129 15.999 27 O 0.07880860961448 0.15580828467168 0.31602401579322 15.999 28 O 0.22113399552134 0.55416945127733 0.68256260386871 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.829470123602892 0.000000000000000 0.000000000000000 b 0.000000000000000 10.280526650000001 0.000000000000000 c -2.400659237507376 0.000000000000000 14.647993474492280 Atomic positions (fractional): 1 K 0.12650277942231 0.08289066340960 0.41523335921213 39.098 > 1 2 K 0.62650277942231 0.08289066340960 0.41523335921213 39.098 > 1 3 K 0.12650277942231 0.08289066340960 0.91523335921213 39.098 > 1 4 K 0.62650277942231 0.08289066340960 0.91523335921213 39.098 > 1 5 K 0.37349722057769 0.58289066340960 0.33476664078787 39.098 > 5 6 K 0.87349722057769 0.58289066340960 0.33476664078787 39.098 > 5 7 K 0.37349722057769 0.58289066340960 0.83476664078787 39.098 > 5 8 K 0.87349722057769 0.58289066340960 0.83476664078787 39.098 > 5 9 K 0.37349722057769 0.91710933659040 0.08476664078787 39.098 > 9 10 K 0.87349722057769 0.91710933659040 0.08476664078787 39.098 > 9 11 K 0.37349722057769 0.91710933659040 0.58476664078787 39.098 > 9 12 K 0.87349722057769 0.91710933659040 0.58476664078787 39.098 > 9 13 K 0.12650277942231 0.41710933659040 0.16523335921213 39.098 > 13 14 K 0.62650277942231 0.41710933659040 0.16523335921213 39.098 > 13 15 K 0.12650277942231 0.41710933659040 0.66523335921213 39.098 > 13 16 K 0.62650277942231 0.41710933659040 0.66523335921213 39.098 > 13 17 K 0.38329639806853 0.22930936248420 0.26210811623426 39.098 > 17 18 K 0.88329639806853 0.22930936248420 0.26210811623426 39.098 > 17 19 K 0.38329639806853 0.22930936248420 0.76210811623426 39.098 > 17 20 K 0.88329639806853 0.22930936248420 0.76210811623426 39.098 > 17 21 K 0.11670360193147 0.72930936248419 0.48789188376574 39.098 > 21 22 K 0.61670360193147 0.72930936248419 0.48789188376574 39.098 > 21 23 K 0.11670360193147 0.72930936248419 0.98789188376574 39.098 > 21 24 K 0.61670360193147 0.72930936248419 0.98789188376574 39.098 > 21 25 K 0.11670360193147 0.77069063751581 0.23789188376574 39.098 > 25 26 K 0.61670360193147 0.77069063751581 0.23789188376574 39.098 > 25 27 K 0.11670360193147 0.77069063751581 0.73789188376574 39.098 > 25 28 K 0.61670360193147 0.77069063751581 0.73789188376574 39.098 > 25 29 K 0.38329639806853 0.27069063751581 0.01210811623426 39.098 > 29 30 K 0.88329639806853 0.27069063751581 0.01210811623426 39.098 > 29 31 K 0.38329639806853 0.27069063751581 0.51210811623426 39.098 > 29 32 K 0.88329639806853 0.27069063751581 0.51210811623426 39.098 > 29 33 P 0.14101252251608 0.07512255391034 0.13957333145820 30.974 > 33 34 P 0.64101252251608 0.07512255391034 0.13957333145820 30.974 > 33 35 P 0.14101252251608 0.07512255391034 0.63957333145820 30.974 > 33 36 P 0.64101252251608 0.07512255391034 0.63957333145820 30.974 > 33 37 P 0.35898747748392 0.92487744608966 0.36042666854180 30.974 > 37 38 P 0.85898747748392 0.92487744608966 0.36042666854180 30.974 > 37 39 P 0.35898747748392 0.92487744608966 0.86042666854180 30.974 > 37 40 P 0.85898747748392 0.92487744608966 0.86042666854180 30.974 > 37 41 P 0.14101252251608 0.42487744608966 0.38957333145820 30.974 > 41 42 P 0.64101252251608 0.42487744608966 0.38957333145820 30.974 > 41 43 P 0.14101252251608 0.42487744608966 0.88957333145820 30.974 > 41 44 P 0.64101252251608 0.42487744608966 0.88957333145820 30.974 > 41 45 P 0.35898747748392 0.57512255391034 0.11042666854180 30.974 > 45 46 P 0.85898747748392 0.57512255391034 0.11042666854180 30.974 > 45 47 P 0.35898747748392 0.57512255391034 0.61042666854180 30.974 > 45 48 P 0.85898747748392 0.57512255391034 0.61042666854180 30.974 > 45 49 O 0.26647797124972 0.85067756553281 0.39936204685427 15.999 > 49 50 O 0.76647797124972 0.85067756553281 0.39936204685427 15.999 > 49 51 O 0.26647797124972 0.85067756553281 0.89936204685427 15.999 > 49 52 O 0.76647797124972 0.85067756553281 0.89936204685427 15.999 > 49 53 O 0.26647797124972 0.64932243446719 0.14936204685427 15.999 > 53 54 O 0.76647797124972 0.64932243446719 0.14936204685427 15.999 > 53 55 O 0.26647797124972 0.64932243446719 0.64936204685427 15.999 > 53 56 O 0.76647797124972 0.64932243446719 0.64936204685427 15.999 > 53 57 O 0.11056699776067 0.94583054872267 0.09128130193436 15.999 > 57 58 O 0.61056699776067 0.94583054872267 0.09128130193436 15.999 > 57 59 O 0.11056699776067 0.94583054872267 0.59128130193436 15.999 > 57 60 O 0.61056699776067 0.94583054872267 0.59128130193436 15.999 > 57 61 O 0.19626356797167 0.46028441591964 0.49913519140192 15.999 > 61 62 O 0.69626356797167 0.46028441591964 0.49913519140192 15.999 > 61 63 O 0.19626356797167 0.46028441591964 0.99913519140192 15.999 > 61 64 O 0.69626356797167 0.46028441591964 0.99913519140192 15.999 > 61 65 O 0.30373643202833 0.96028441591964 0.25086480859808 15.999 > 65 66 O 0.80373643202833 0.96028441591964 0.25086480859808 15.999 > 65 67 O 0.30373643202833 0.96028441591964 0.75086480859808 15.999 > 65 68 O 0.80373643202833 0.96028441591964 0.75086480859808 15.999 > 65 69 O 0.38943300223933 0.44583054872267 0.15871869806564 15.999 > 69 70 O 0.88943300223933 0.44583054872267 0.15871869806564 15.999 > 69 71 O 0.38943300223933 0.44583054872267 0.65871869806564 15.999 > 69 72 O 0.88943300223933 0.44583054872267 0.65871869806564 15.999 > 69 73 O 0.46059569519276 0.84419171532832 0.34198799210339 15.999 > 73 74 O 0.96059569519276 0.84419171532832 0.34198799210339 15.999 > 73 75 O 0.46059569519276 0.84419171532832 0.84198799210339 15.999 > 73 76 O 0.96059569519276 0.84419171532832 0.84198799210339 15.999 > 73 77 O 0.46059569519276 0.65580828467168 0.09198799210339 15.999 > 77 78 O 0.96059569519276 0.65580828467168 0.09198799210339 15.999 > 77 79 O 0.46059569519276 0.65580828467168 0.59198799210339 15.999 > 77 80 O 0.96059569519276 0.65580828467168 0.59198799210339 15.999 > 77 81 O 0.23352202875028 0.14932243446719 0.10063795314573 15.999 > 81 82 O 0.73352202875028 0.14932243446719 0.10063795314573 15.999 > 81 83 O 0.23352202875028 0.14932243446719 0.60063795314573 15.999 > 81 84 O 0.73352202875028 0.14932243446719 0.60063795314573 15.999 > 81 85 O 0.03940430480724 0.34419171532832 0.40801200789661 15.999 > 85 86 O 0.53940430480724 0.34419171532832 0.40801200789661 15.999 > 85 87 O 0.03940430480724 0.34419171532832 0.90801200789661 15.999 > 85 88 O 0.53940430480724 0.34419171532832 0.90801200789661 15.999 > 85 89 O 0.19626356797167 0.03971558408036 0.24913519140192 15.999 > 89 90 O 0.69626356797167 0.03971558408036 0.24913519140192 15.999 > 89 91 O 0.19626356797167 0.03971558408036 0.74913519140192 15.999 > 89 92 O 0.69626356797167 0.03971558408036 0.74913519140192 15.999 > 89 93 O 0.30373643202833 0.53971558408036 0.00086480859808 15.999 > 93 94 O 0.80373643202833 0.53971558408036 0.00086480859808 15.999 > 93 95 O 0.30373643202833 0.53971558408036 0.50086480859808 15.999 > 93 96 O 0.80373643202833 0.53971558408036 0.50086480859808 15.999 > 93 97 O 0.23352202875028 0.35067756553281 0.35063795314573 15.999 > 97 98 O 0.73352202875028 0.35067756553281 0.35063795314573 15.999 > 97 99 O 0.23352202875028 0.35067756553281 0.85063795314573 15.999 > 97 100 O 0.73352202875028 0.35067756553281 0.85063795314573 15.999 > 97 101 O 0.38943300223933 0.05416945127733 0.40871869806564 15.999 > 101 102 O 0.88943300223933 0.05416945127733 0.40871869806564 15.999 > 101 103 O 0.38943300223933 0.05416945127733 0.90871869806564 15.999 > 101 104 O 0.88943300223933 0.05416945127733 0.90871869806564 15.999 > 101 105 O 0.03940430480724 0.15580828467168 0.15801200789661 15.999 > 105 106 O 0.53940430480724 0.15580828467168 0.15801200789661 15.999 > 105 107 O 0.03940430480724 0.15580828467168 0.65801200789661 15.999 > 105 108 O 0.53940430480724 0.15580828467168 0.65801200789661 15.999 > 105 109 O 0.11056699776067 0.55416945127733 0.34128130193436 15.999 > 109 110 O 0.61056699776067 0.55416945127733 0.34128130193436 15.999 > 109 111 O 0.11056699776067 0.55416945127733 0.84128130193436 15.999 > 109 112 O 0.61056699776067 0.55416945127733 0.84128130193436 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5412825 0.0000000 0.1131602 0.0000000 2.4558321 0.0000000 0.1131602 0.0000000 2.4587137 -------------------------- Born effective charges -------------------------- 1 K 1.2005121 0.0685103 -0.0505845 -0.0256201 1.1619137 -0.0003042 -0.0474630 0.0805292 1.2035144 2 K 1.2005121 -0.0685103 -0.0505845 0.0256201 1.1619137 0.0003042 -0.0474630 -0.0805292 1.2035144 3 K 1.2005121 0.0685103 -0.0505845 -0.0256201 1.1619137 -0.0003042 -0.0474630 0.0805292 1.2035144 4 K 1.2005121 -0.0685103 -0.0505845 0.0256201 1.1619137 0.0003042 -0.0474630 -0.0805292 1.2035144 5 K 1.2553546 0.0491766 -0.0420436 0.0304024 1.2953763 0.0761500 -0.0420516 0.0036085 1.1944277 6 K 1.2553546 -0.0491766 -0.0420436 -0.0304024 1.2953763 -0.0761500 -0.0420516 -0.0036085 1.1944277 7 K 1.2553546 0.0491766 -0.0420436 0.0304024 1.2953763 0.0761500 -0.0420516 0.0036085 1.1944277 8 K 1.2553546 -0.0491766 -0.0420436 -0.0304024 1.2953763 -0.0761500 -0.0420516 -0.0036085 1.1944277 9 P 2.6941536 0.2098771 0.3281367 0.1264480 2.7735844 -0.1770140 -0.2227295 0.2565985 2.9776744 10 P 2.6941536 0.2098771 0.3281367 0.1264480 2.7735844 -0.1770140 -0.2227295 0.2565985 2.9776744 11 P 2.6941536 -0.2098771 0.3281367 -0.1264480 2.7735844 0.1770140 -0.2227295 -0.2565985 2.9776744 12 P 2.6941536 -0.2098771 0.3281367 -0.1264480 2.7735844 0.1770140 -0.2227295 -0.2565985 2.9776744 13 O -1.5862835 -0.3697336 0.1820669 -0.4533778 -1.4099710 0.1974831 0.3948089 0.1502490 -1.3479883 14 O -1.5862835 0.3697336 0.1820669 0.4533778 -1.4099710 -0.1974831 0.3948089 -0.1502490 -1.3479883 15 O -1.2179754 -0.3524570 -0.1660503 -0.1584695 -1.7777760 -0.2666609 -0.0393324 -0.5360458 -1.4135227 16 O -0.5286450 0.0725205 -0.2296957 0.0540909 -0.5841555 -0.2028841 -0.0784453 -0.0854460 -1.3873421 17 O -0.5286450 -0.0725205 -0.2296957 -0.0540909 -0.5841555 0.2028841 -0.0784453 0.0854460 -1.3873421 18 O -1.2179754 0.3524570 -0.1660503 0.1584695 -1.7777760 0.2666609 -0.0393324 0.5360458 -1.4135227 19 O -1.8171164 0.4470593 -0.0218295 0.4881314 -1.4589719 -0.0095209 0.0352129 -0.0377197 -1.2267634 20 O -1.8171164 -0.4470593 -0.0218295 -0.4881314 -1.4589719 0.0095209 0.0352129 0.0377197 -1.2267634 21 O -1.5862835 -0.3697336 0.1820669 -0.4533778 -1.4099710 0.1974831 0.3948089 0.1502490 -1.3479883 22 O -1.8171164 -0.4470593 -0.0218295 -0.4881314 -1.4589719 0.0095209 0.0352129 0.0377197 -1.2267634 23 O -0.5286450 -0.0725205 -0.2296957 -0.0540909 -0.5841555 0.2028841 -0.0784453 0.0854460 -1.3873421 24 O -0.5286450 0.0725205 -0.2296957 0.0540909 -0.5841555 -0.2028841 -0.0784453 -0.0854460 -1.3873421 25 O -1.5862835 0.3697336 0.1820669 0.4533778 -1.4099710 -0.1974831 0.3948089 -0.1502490 -1.3479883 26 O -1.2179754 -0.3524570 -0.1660503 -0.1584695 -1.7777760 -0.2666609 -0.0393324 -0.5360458 -1.4135227 27 O -1.8171164 0.4470593 -0.0218295 0.4881314 -1.4589719 -0.0095209 0.0352129 -0.0377197 -1.2267634 28 O -1.2179754 0.3524570 -0.1660503 0.1584695 -1.7777760 0.2666609 -0.0393324 0.5360458 -1.4135227 ---------------------------------------------------------------------------- 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 61, 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] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0016 0.0000 0.0099] [ 0.0016 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000006 (zzz) -0.00000006 (zzz) -0.00000006 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zx) -0.00000001 (zx) 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 12:16:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:16:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.914735061801446 0.000000000000000 0.000000000000000 b 0.000000000000000 10.280526650000001 0.000000000000000 c -1.200329618753688 0.000000000000000 7.323996737246140 Atomic positions (fractional): 1 K 0.25300555884461 0.08289066340960 0.83046671842426 39.098 2 K 0.74699444115539 0.58289066340960 0.66953328157574 39.098 3 K 0.74699444115539 0.91710933659040 0.16953328157574 39.098 4 K 0.25300555884461 0.41710933659040 0.33046671842426 39.098 5 K 0.76659279613706 0.22930936248420 0.52421623246852 39.098 6 K 0.23340720386294 0.72930936248419 0.97578376753148 39.098 7 K 0.23340720386294 0.77069063751581 0.47578376753148 39.098 8 K 0.76659279613706 0.27069063751581 0.02421623246852 39.098 9 P 0.28202504503217 0.07512255391034 0.27914666291640 30.974 10 P 0.71797495496783 0.92487744608966 0.72085333708360 30.974 11 P 0.28202504503217 0.42487744608966 0.77914666291640 30.974 12 P 0.71797495496783 0.57512255391034 0.22085333708360 30.974 13 O 0.53295594249944 0.85067756553281 0.79872409370854 15.999 14 O 0.53295594249944 0.64932243446719 0.29872409370854 15.999 15 O 0.22113399552134 0.94583054872267 0.18256260386871 15.999 16 O 0.39252713594335 0.46028441591964 0.99827038280383 15.999 17 O 0.60747286405665 0.96028441591964 0.50172961719617 15.999 18 O 0.77886600447866 0.44583054872267 0.31743739613129 15.999 19 O 0.92119139038552 0.84419171532832 0.68397598420678 15.999 20 O 0.92119139038552 0.65580828467168 0.18397598420678 15.999 21 O 0.46704405750056 0.14932243446719 0.20127590629146 15.999 22 O 0.07880860961448 0.34419171532832 0.81602401579322 15.999 23 O 0.39252713594335 0.03971558408036 0.49827038280383 15.999 24 O 0.60747286405665 0.53971558408036 0.00172961719617 15.999 25 O 0.46704405750056 0.35067756553281 0.70127590629146 15.999 26 O 0.77886600447866 0.05416945127733 0.81743739613129 15.999 27 O 0.07880860961448 0.15580828467168 0.31602401579322 15.999 28 O 0.22113399552134 0.55416945127733 0.68256260386871 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.829470123602892 0.000000000000000 0.000000000000000 b 0.000000000000000 10.280526650000001 0.000000000000000 c -2.400659237507376 0.000000000000000 14.647993474492280 Atomic positions (fractional): 1 K 0.12650277942231 0.08289066340960 0.41523335921213 39.098 > 1 2 K 0.62650277942231 0.08289066340960 0.41523335921213 39.098 > 1 3 K 0.12650277942231 0.08289066340960 0.91523335921213 39.098 > 1 4 K 0.62650277942231 0.08289066340960 0.91523335921213 39.098 > 1 5 K 0.37349722057769 0.58289066340960 0.33476664078787 39.098 > 5 6 K 0.87349722057769 0.58289066340960 0.33476664078787 39.098 > 5 7 K 0.37349722057769 0.58289066340960 0.83476664078787 39.098 > 5 8 K 0.87349722057769 0.58289066340960 0.83476664078787 39.098 > 5 9 K 0.37349722057769 0.91710933659040 0.08476664078787 39.098 > 9 10 K 0.87349722057769 0.91710933659040 0.08476664078787 39.098 > 9 11 K 0.37349722057769 0.91710933659040 0.58476664078787 39.098 > 9 12 K 0.87349722057769 0.91710933659040 0.58476664078787 39.098 > 9 13 K 0.12650277942231 0.41710933659040 0.16523335921213 39.098 > 13 14 K 0.62650277942231 0.41710933659040 0.16523335921213 39.098 > 13 15 K 0.12650277942231 0.41710933659040 0.66523335921213 39.098 > 13 16 K 0.62650277942231 0.41710933659040 0.66523335921213 39.098 > 13 17 K 0.38329639806853 0.22930936248420 0.26210811623426 39.098 > 17 18 K 0.88329639806853 0.22930936248420 0.26210811623426 39.098 > 17 19 K 0.38329639806853 0.22930936248420 0.76210811623426 39.098 > 17 20 K 0.88329639806853 0.22930936248420 0.76210811623426 39.098 > 17 21 K 0.11670360193147 0.72930936248419 0.48789188376574 39.098 > 21 22 K 0.61670360193147 0.72930936248419 0.48789188376574 39.098 > 21 23 K 0.11670360193147 0.72930936248419 0.98789188376574 39.098 > 21 24 K 0.61670360193147 0.72930936248419 0.98789188376574 39.098 > 21 25 K 0.11670360193147 0.77069063751581 0.23789188376574 39.098 > 25 26 K 0.61670360193147 0.77069063751581 0.23789188376574 39.098 > 25 27 K 0.11670360193147 0.77069063751581 0.73789188376574 39.098 > 25 28 K 0.61670360193147 0.77069063751581 0.73789188376574 39.098 > 25 29 K 0.38329639806853 0.27069063751581 0.01210811623426 39.098 > 29 30 K 0.88329639806853 0.27069063751581 0.01210811623426 39.098 > 29 31 K 0.38329639806853 0.27069063751581 0.51210811623426 39.098 > 29 32 K 0.88329639806853 0.27069063751581 0.51210811623426 39.098 > 29 33 P 0.14101252251608 0.07512255391034 0.13957333145820 30.974 > 33 34 P 0.64101252251608 0.07512255391034 0.13957333145820 30.974 > 33 35 P 0.14101252251608 0.07512255391034 0.63957333145820 30.974 > 33 36 P 0.64101252251608 0.07512255391034 0.63957333145820 30.974 > 33 37 P 0.35898747748392 0.92487744608966 0.36042666854180 30.974 > 37 38 P 0.85898747748392 0.92487744608966 0.36042666854180 30.974 > 37 39 P 0.35898747748392 0.92487744608966 0.86042666854180 30.974 > 37 40 P 0.85898747748392 0.92487744608966 0.86042666854180 30.974 > 37 41 P 0.14101252251608 0.42487744608966 0.38957333145820 30.974 > 41 42 P 0.64101252251608 0.42487744608966 0.38957333145820 30.974 > 41 43 P 0.14101252251608 0.42487744608966 0.88957333145820 30.974 > 41 44 P 0.64101252251608 0.42487744608966 0.88957333145820 30.974 > 41 45 P 0.35898747748392 0.57512255391034 0.11042666854180 30.974 > 45 46 P 0.85898747748392 0.57512255391034 0.11042666854180 30.974 > 45 47 P 0.35898747748392 0.57512255391034 0.61042666854180 30.974 > 45 48 P 0.85898747748392 0.57512255391034 0.61042666854180 30.974 > 45 49 O 0.26647797124972 0.85067756553281 0.39936204685427 15.999 > 49 50 O 0.76647797124972 0.85067756553281 0.39936204685427 15.999 > 49 51 O 0.26647797124972 0.85067756553281 0.89936204685427 15.999 > 49 52 O 0.76647797124972 0.85067756553281 0.89936204685427 15.999 > 49 53 O 0.26647797124972 0.64932243446719 0.14936204685427 15.999 > 53 54 O 0.76647797124972 0.64932243446719 0.14936204685427 15.999 > 53 55 O 0.26647797124972 0.64932243446719 0.64936204685427 15.999 > 53 56 O 0.76647797124972 0.64932243446719 0.64936204685427 15.999 > 53 57 O 0.11056699776067 0.94583054872267 0.09128130193436 15.999 > 57 58 O 0.61056699776067 0.94583054872267 0.09128130193436 15.999 > 57 59 O 0.11056699776067 0.94583054872267 0.59128130193436 15.999 > 57 60 O 0.61056699776067 0.94583054872267 0.59128130193436 15.999 > 57 61 O 0.19626356797167 0.46028441591964 0.49913519140192 15.999 > 61 62 O 0.69626356797167 0.46028441591964 0.49913519140192 15.999 > 61 63 O 0.19626356797167 0.46028441591964 0.99913519140192 15.999 > 61 64 O 0.69626356797167 0.46028441591964 0.99913519140192 15.999 > 61 65 O 0.30373643202833 0.96028441591964 0.25086480859808 15.999 > 65 66 O 0.80373643202833 0.96028441591964 0.25086480859808 15.999 > 65 67 O 0.30373643202833 0.96028441591964 0.75086480859808 15.999 > 65 68 O 0.80373643202833 0.96028441591964 0.75086480859808 15.999 > 65 69 O 0.38943300223933 0.44583054872267 0.15871869806564 15.999 > 69 70 O 0.88943300223933 0.44583054872267 0.15871869806564 15.999 > 69 71 O 0.38943300223933 0.44583054872267 0.65871869806564 15.999 > 69 72 O 0.88943300223933 0.44583054872267 0.65871869806564 15.999 > 69 73 O 0.46059569519276 0.84419171532832 0.34198799210339 15.999 > 73 74 O 0.96059569519276 0.84419171532832 0.34198799210339 15.999 > 73 75 O 0.46059569519276 0.84419171532832 0.84198799210339 15.999 > 73 76 O 0.96059569519276 0.84419171532832 0.84198799210339 15.999 > 73 77 O 0.46059569519276 0.65580828467168 0.09198799210339 15.999 > 77 78 O 0.96059569519276 0.65580828467168 0.09198799210339 15.999 > 77 79 O 0.46059569519276 0.65580828467168 0.59198799210339 15.999 > 77 80 O 0.96059569519276 0.65580828467168 0.59198799210339 15.999 > 77 81 O 0.23352202875028 0.14932243446719 0.10063795314573 15.999 > 81 82 O 0.73352202875028 0.14932243446719 0.10063795314573 15.999 > 81 83 O 0.23352202875028 0.14932243446719 0.60063795314573 15.999 > 81 84 O 0.73352202875028 0.14932243446719 0.60063795314573 15.999 > 81 85 O 0.03940430480724 0.34419171532832 0.40801200789661 15.999 > 85 86 O 0.53940430480724 0.34419171532832 0.40801200789661 15.999 > 85 87 O 0.03940430480724 0.34419171532832 0.90801200789661 15.999 > 85 88 O 0.53940430480724 0.34419171532832 0.90801200789661 15.999 > 85 89 O 0.19626356797167 0.03971558408036 0.24913519140192 15.999 > 89 90 O 0.69626356797167 0.03971558408036 0.24913519140192 15.999 > 89 91 O 0.19626356797167 0.03971558408036 0.74913519140192 15.999 > 89 92 O 0.69626356797167 0.03971558408036 0.74913519140192 15.999 > 89 93 O 0.30373643202833 0.53971558408036 0.00086480859808 15.999 > 93 94 O 0.80373643202833 0.53971558408036 0.00086480859808 15.999 > 93 95 O 0.30373643202833 0.53971558408036 0.50086480859808 15.999 > 93 96 O 0.80373643202833 0.53971558408036 0.50086480859808 15.999 > 93 97 O 0.23352202875028 0.35067756553281 0.35063795314573 15.999 > 97 98 O 0.73352202875028 0.35067756553281 0.35063795314573 15.999 > 97 99 O 0.23352202875028 0.35067756553281 0.85063795314573 15.999 > 97 100 O 0.73352202875028 0.35067756553281 0.85063795314573 15.999 > 97 101 O 0.38943300223933 0.05416945127733 0.40871869806564 15.999 > 101 102 O 0.88943300223933 0.05416945127733 0.40871869806564 15.999 > 101 103 O 0.38943300223933 0.05416945127733 0.90871869806564 15.999 > 101 104 O 0.88943300223933 0.05416945127733 0.90871869806564 15.999 > 101 105 O 0.03940430480724 0.15580828467168 0.15801200789661 15.999 > 105 106 O 0.53940430480724 0.15580828467168 0.15801200789661 15.999 > 105 107 O 0.03940430480724 0.15580828467168 0.65801200789661 15.999 > 105 108 O 0.53940430480724 0.15580828467168 0.65801200789661 15.999 > 105 109 O 0.11056699776067 0.55416945127733 0.34128130193436 15.999 > 109 110 O 0.61056699776067 0.55416945127733 0.34128130193436 15.999 > 109 111 O 0.11056699776067 0.55416945127733 0.84128130193436 15.999 > 109 112 O 0.61056699776067 0.55416945127733 0.84128130193436 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5412825 0.0000000 0.1131602 0.0000000 2.4558321 0.0000000 0.1131602 0.0000000 2.4587137 -------------------------- Born effective charges -------------------------- 1 K 1.2005121 0.0685103 -0.0505845 -0.0256201 1.1619137 -0.0003042 -0.0474630 0.0805292 1.2035144 2 K 1.2005121 -0.0685103 -0.0505845 0.0256201 1.1619137 0.0003042 -0.0474630 -0.0805292 1.2035144 3 K 1.2005121 0.0685103 -0.0505845 -0.0256201 1.1619137 -0.0003042 -0.0474630 0.0805292 1.2035144 4 K 1.2005121 -0.0685103 -0.0505845 0.0256201 1.1619137 0.0003042 -0.0474630 -0.0805292 1.2035144 5 K 1.2553546 0.0491766 -0.0420436 0.0304024 1.2953763 0.0761500 -0.0420516 0.0036085 1.1944277 6 K 1.2553546 -0.0491766 -0.0420436 -0.0304024 1.2953763 -0.0761500 -0.0420516 -0.0036085 1.1944277 7 K 1.2553546 0.0491766 -0.0420436 0.0304024 1.2953763 0.0761500 -0.0420516 0.0036085 1.1944277 8 K 1.2553546 -0.0491766 -0.0420436 -0.0304024 1.2953763 -0.0761500 -0.0420516 -0.0036085 1.1944277 9 P 2.6941536 0.2098771 0.3281367 0.1264480 2.7735844 -0.1770140 -0.2227295 0.2565985 2.9776744 10 P 2.6941536 0.2098771 0.3281367 0.1264480 2.7735844 -0.1770140 -0.2227295 0.2565985 2.9776744 11 P 2.6941536 -0.2098771 0.3281367 -0.1264480 2.7735844 0.1770140 -0.2227295 -0.2565985 2.9776744 12 P 2.6941536 -0.2098771 0.3281367 -0.1264480 2.7735844 0.1770140 -0.2227295 -0.2565985 2.9776744 13 O -1.5862835 -0.3697336 0.1820669 -0.4533778 -1.4099710 0.1974831 0.3948089 0.1502490 -1.3479883 14 O -1.5862835 0.3697336 0.1820669 0.4533778 -1.4099710 -0.1974831 0.3948089 -0.1502490 -1.3479883 15 O -1.2179754 -0.3524570 -0.1660503 -0.1584695 -1.7777760 -0.2666609 -0.0393324 -0.5360458 -1.4135227 16 O -0.5286450 0.0725205 -0.2296957 0.0540909 -0.5841555 -0.2028841 -0.0784453 -0.0854460 -1.3873421 17 O -0.5286450 -0.0725205 -0.2296957 -0.0540909 -0.5841555 0.2028841 -0.0784453 0.0854460 -1.3873421 18 O -1.2179754 0.3524570 -0.1660503 0.1584695 -1.7777760 0.2666609 -0.0393324 0.5360458 -1.4135227 19 O -1.8171164 0.4470593 -0.0218295 0.4881314 -1.4589719 -0.0095209 0.0352129 -0.0377197 -1.2267634 20 O -1.8171164 -0.4470593 -0.0218295 -0.4881314 -1.4589719 0.0095209 0.0352129 0.0377197 -1.2267634 21 O -1.5862835 -0.3697336 0.1820669 -0.4533778 -1.4099710 0.1974831 0.3948089 0.1502490 -1.3479883 22 O -1.8171164 -0.4470593 -0.0218295 -0.4881314 -1.4589719 0.0095209 0.0352129 0.0377197 -1.2267634 23 O -0.5286450 -0.0725205 -0.2296957 -0.0540909 -0.5841555 0.2028841 -0.0784453 0.0854460 -1.3873421 24 O -0.5286450 0.0725205 -0.2296957 0.0540909 -0.5841555 -0.2028841 -0.0784453 -0.0854460 -1.3873421 25 O -1.5862835 0.3697336 0.1820669 0.4533778 -1.4099710 -0.1974831 0.3948089 -0.1502490 -1.3479883 26 O -1.2179754 -0.3524570 -0.1660503 -0.1584695 -1.7777760 -0.2666609 -0.0393324 -0.5360458 -1.4135227 27 O -1.8171164 0.4470593 -0.0218295 0.4881314 -1.4589719 -0.0095209 0.0352129 -0.0377197 -1.2267634 28 O -1.2179754 0.3524570 -0.1660503 0.1584695 -1.7777760 0.2666609 -0.0393324 0.5360458 -1.4135227 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (zzz) -0.00000006 (zzz) -0.00000006 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 289, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.073 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.834 ( 0.000 0.000 0.000) 0.000 1.961 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.142 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.380 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.220 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 4.949 ( 0.000 0.000 0.000) 0.000 5.039 ( 0.000 0.000 0.000) 0.000 5.235 ( 0.000 0.000 0.000) 0.000 5.254 ( 0.000 0.000 0.000) 0.000 5.418 ( 0.000 0.000 0.000) 0.000 5.804 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 6.301 ( 0.000 0.000 0.000) 0.000 6.326 ( 0.000 0.000 0.000) 0.000 8.568 ( 0.000 0.000 0.000) 0.000 8.622 ( 0.000 0.000 0.000) 0.000 10.407 ( 0.000 0.000 0.000) 0.000 10.422 ( 0.000 0.000 0.000) 0.000 11.135 ( 0.000 0.000 0.000) 0.000 11.233 ( 0.000 0.000 0.000) 0.000 11.321 ( 0.000 0.000 0.000) 0.000 11.441 ( 0.000 0.000 0.000) 0.000 14.538 ( 0.000 0.000 0.000) 0.000 14.611 ( 0.000 0.000 0.000) 0.000 14.616 ( 0.000 0.000 0.000) 0.000 14.701 ( 0.000 0.000 0.000) 0.000 14.801 ( 0.000 0.000 0.000) 0.000 14.887 ( 0.000 0.000 0.000) 0.000 14.959 ( 0.000 0.000 0.000) 0.000 15.046 ( 0.000 0.000 0.000) 0.000 15.169 ( 0.000 0.000 0.000) 0.000 15.293 ( 0.000 0.000 0.000) 0.000 16.736 ( 0.000 0.000 0.000) 0.000 16.863 ( 0.000 0.000 0.000) 0.000 20.279 ( 0.000 0.000 0.000) 0.000 20.373 ( 0.000 0.000 0.000) 0.000 21.839 ( 0.000 0.000 0.000) 0.000 21.844 ( 0.000 0.000 0.000) 0.000 23.122 ( 0.000 0.000 0.000) 0.000 23.167 ( 0.000 0.000 0.000) 0.000 28.209 ( 0.000 0.000 0.000) 0.000 28.282 ( 0.000 0.000 0.000) 0.000 28.933 ( 0.000 0.000 0.000) 0.000 28.993 ( 0.000 0.000 0.000) 0.000 32.791 ( 0.000 0.000 0.000) 0.000 32.861 ( 0.000 0.000 0.000) 0.000 33.091 ( 0.000 0.000 0.000) 0.000 33.258 ( 0.000 0.000 0.000) 0.000 33.365 ( 0.000 0.000 0.000) 0.000 33.559 ( 0.000 0.000 0.000) 0.000 33.792 ( 0.000 0.000 0.000) 0.000 34.231 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 25.599 0.000 1.632) 25.651 0.600 ( 30.051 0.000 9.268) 31.448 0.867 ( 44.529 0.000 -1.739) 44.563 1.159 ( 8.530 0.000 2.396) 8.860 1.630 ( -13.133 0.000 -2.274) 13.328 1.988 ( 2.938 0.000 -0.422) 2.968 1.996 ( 12.592 0.000 0.768) 12.616 2.318 ( -0.306 0.000 2.842) 2.859 2.401 ( 5.034 0.000 -0.669) 5.079 2.615 ( 4.413 0.000 1.697) 4.728 2.806 ( -7.987 0.000 -1.454) 8.119 3.046 ( -6.715 0.000 1.350) 6.849 3.056 ( -6.527 0.000 0.101) 6.528 3.192 ( 2.016 0.000 2.852) 3.492 3.245 ( 1.718 0.000 -0.313) 1.746 3.278 ( -4.453 0.000 -0.565) 4.488 3.333 ( -3.011 0.000 2.682) 4.033 3.361 ( 0.565 0.000 -1.026) 1.171 3.396 ( -4.685 0.000 -1.705) 4.986 3.457 ( -0.007 0.000 -0.191) 0.191 3.567 ( -3.085 0.000 -4.366) 5.346 3.596 ( 4.257 0.000 0.814) 4.335 3.654 ( 0.371 0.000 5.170) 5.184 3.667 ( -0.436 0.000 0.110) 0.449 3.852 ( -1.273 0.000 -0.803) 1.505 3.891 ( 0.373 0.000 3.551) 3.571 3.934 ( 1.238 0.000 -0.192) 1.253 4.036 ( 4.344 0.000 4.862) 6.520 4.150 ( -6.731 0.000 25.101) 25.988 4.197 ( 0.791 0.000 0.005) 0.791 4.231 ( 1.359 0.000 3.210) 3.486 4.326 ( 1.800 0.000 -1.958) 2.660 4.389 ( 1.439 0.000 -4.075) 4.322 4.492 ( -4.832 0.000 0.705) 4.883 4.835 ( 2.549 0.000 -0.188) 2.556 4.932 ( -2.026 0.000 1.407) 2.467 4.954 ( 6.757 0.000 -2.652) 7.259 5.058 ( 1.851 0.000 -0.283) 1.873 5.163 ( 0.016 0.000 11.868) 11.868 5.197 ( -4.737 0.000 0.981) 4.837 5.434 ( 1.417 0.000 -1.638) 2.166 5.765 ( -4.616 0.000 -2.298) 5.156 5.783 ( -1.729 0.000 -3.821) 4.194 6.243 ( -1.513 0.000 -26.752) 26.795 6.312 ( -1.294 0.000 -0.936) 1.597 6.382 ( 3.619 0.000 -27.718) 27.953 8.573 ( 0.068 0.000 2.110) 2.111 8.649 ( 2.454 0.000 2.093) 3.225 10.405 ( -0.421 0.000 1.189) 1.261 10.430 ( 0.406 0.000 1.810) 1.855 11.138 ( 0.297 0.000 0.135) 0.327 11.206 ( -2.419 0.000 -1.573) 2.885 11.372 ( -0.800 0.000 -0.033) 0.800 11.433 ( -0.785 0.000 -0.666) 1.029 14.540 ( 0.090 0.000 1.123) 1.127 14.637 ( 1.943 0.000 1.019) 2.194 14.701 ( -2.131 0.000 14.947) 15.098 14.715 ( 1.168 0.000 1.630) 2.006 14.803 ( 0.196 0.000 0.056) 0.204 14.887 ( 0.109 0.000 0.104) 0.151 14.996 ( -3.688 0.000 1.751) 4.083 15.077 ( 1.410 0.000 -1.565) 2.106 15.236 ( 5.221 0.000 -1.320) 5.385 15.493 ( -0.093 0.000 1.505) 1.508 16.734 ( -0.174 0.000 -0.197) 0.263 16.846 ( -1.349 0.000 -2.095) 2.492 20.370 ( -0.889 0.000 3.287) 3.405 20.530 ( -9.466 0.000 48.943) 49.850 21.842 ( 0.153 0.000 0.488) 0.511 21.844 ( -0.039 0.000 -0.046) 0.060 23.121 ( -0.184 0.000 0.285) 0.340 23.163 ( -0.313 0.000 -0.437) 0.538 28.272 ( -0.914 0.000 -0.026) 0.914 28.316 ( -4.055 0.000 18.206) 18.652 28.934 ( -0.061 0.000 0.706) 0.709 28.996 ( 0.437 0.000 -0.668) 0.799 32.792 ( -0.071 0.000 1.362) 1.364 32.863 ( 0.339 0.000 -0.640) 0.725 33.084 ( -0.316 0.000 -2.298) 2.319 33.405 ( 3.927 0.000 0.279) 3.937 33.505 ( -5.540 0.000 1.786) 5.820 33.793 ( -0.115 0.000 1.330) 1.335 34.226 ( 9.582 0.000 -23.313) 25.205 34.447 ( 4.098 0.000 -32.337) 32.596 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 21.436 0.000 0.351) 21.439 1.157 ( 21.962 0.000 1.014) 21.985 1.254 ( -7.502 0.000 6.547) 9.957 1.393 ( 15.001 0.000 2.935) 15.286 1.775 ( 38.220 0.000 -2.099) 38.278 2.066 ( 5.131 0.000 0.360) 5.144 2.237 ( 10.443 0.000 -0.141) 10.444 2.260 ( -6.770 0.000 2.799) 7.326 2.518 ( 7.402 0.000 -2.301) 7.752 2.682 ( 2.148 0.000 2.755) 3.493 2.724 ( -3.178 0.000 -1.643) 3.578 2.870 ( -8.232 0.000 1.775) 8.421 2.945 ( -4.000 0.000 0.506) 4.032 3.171 ( -1.999 0.000 -4.444) 4.873 3.181 ( -4.380 0.000 0.701) 4.436 3.250 ( -2.476 0.000 0.676) 2.567 3.255 ( -4.502 0.000 -0.237) 4.508 3.334 ( -1.830 0.000 4.565) 4.919 3.445 ( -1.755 0.000 -0.972) 2.006 3.455 ( 8.277 0.000 -1.194) 8.363 3.522 ( -2.085 0.000 0.032) 2.085 3.614 ( -5.335 0.000 4.017) 6.678 3.656 ( 0.974 0.000 -1.419) 1.721 3.715 ( 5.754 0.000 0.540) 5.779 3.806 ( -4.189 0.000 3.772) 5.637 3.869 ( -1.686 0.000 0.758) 1.848 3.998 ( 3.243 0.000 2.794) 4.281 4.090 ( -4.162 0.000 7.837) 8.874 4.106 ( 0.846 0.000 5.226) 5.294 4.195 ( -0.825 0.000 -2.119) 2.274 4.302 ( 3.574 0.000 -1.472) 3.865 4.356 ( 2.078 0.000 -0.179) 2.085 4.392 ( -4.198 0.000 2.586) 4.930 4.400 ( 0.839 0.000 -5.549) 5.612 4.878 ( -4.406 0.000 1.004) 4.519 4.898 ( 2.498 0.000 -1.464) 2.895 5.046 ( 2.267 0.000 -3.569) 4.228 5.061 ( 0.129 0.000 -0.215) 0.251 5.182 ( 3.748 0.000 1.602) 4.076 5.208 ( 1.608 0.000 5.848) 6.065 5.453 ( 1.316 0.000 -1.888) 2.301 5.653 ( -5.368 0.000 -4.053) 6.726 5.705 ( -4.924 0.000 -9.481) 10.683 6.096 ( -6.185 0.000 -16.749) 17.854 6.276 ( -1.989 0.000 -1.169) 2.307 6.358 ( -1.250 0.000 -1.235) 1.757 8.580 ( -0.214 0.000 3.033) 3.041 8.721 ( 3.993 0.000 3.479) 5.296 10.398 ( -0.827 0.000 1.650) 1.845 10.442 ( 0.090 0.000 2.427) 2.429 11.146 ( 0.424 0.000 0.308) 0.524 11.147 ( -2.831 0.000 -2.203) 3.588 11.352 ( -0.989 0.000 -1.358) 1.680 11.410 ( -1.285 0.000 -1.174) 1.740 14.552 ( 0.716 0.000 1.570) 1.725 14.691 ( 3.203 0.000 1.423) 3.505 14.712 ( 0.035 0.000 5.287) 5.287 14.752 ( 1.803 0.000 2.949) 3.457 14.809 ( 0.306 0.000 0.154) 0.343 14.895 ( 0.703 0.000 -0.099) 0.710 14.946 ( -2.199 0.000 2.227) 3.130 15.093 ( 0.436 0.000 -0.926) 1.023 15.319 ( 3.792 0.000 -1.974) 4.275 15.497 ( 0.367 0.000 -0.679) 0.772 16.728 ( -0.314 0.000 -0.312) 0.443 16.806 ( -1.781 0.000 -3.183) 3.648 20.359 ( -1.589 0.000 4.816) 5.072 20.495 ( -5.456 0.000 20.345) 21.064 21.842 ( -0.068 0.000 -0.062) 0.092 21.846 ( 0.047 0.000 0.608) 0.610 23.117 ( -0.399 0.000 0.363) 0.539 23.154 ( -0.449 0.000 -0.641) 0.782 28.251 ( -1.226 0.000 -0.114) 1.232 28.292 ( -2.603 0.000 7.502) 7.941 28.934 ( -0.294 0.000 0.975) 1.019 29.004 ( 0.601 0.000 -0.919) 1.098 32.796 ( -0.089 0.000 2.294) 2.296 32.870 ( 0.772 0.000 -1.209) 1.435 33.065 ( -0.719 0.000 -3.439) 3.514 33.386 ( -7.423 0.000 3.324) 8.133 33.499 ( 5.584 0.000 -0.142) 5.586 33.798 ( 0.174 0.000 2.315) 2.322 34.349 ( 6.570 0.000 -3.086) 7.259 34.428 ( 3.601 0.000 -22.027) 22.319 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -10.997 0.000 0.346) 11.003 1.294 ( 14.794 0.000 -0.706) 14.810 1.634 ( 18.814 0.000 4.566) 19.360 1.708 ( 16.289 0.000 0.825) 16.310 2.123 ( -5.351 0.000 9.619) 11.007 2.184 ( 4.644 0.000 -4.605) 6.540 2.328 ( 1.496 0.000 -3.992) 4.263 2.396 ( 17.226 0.000 -0.224) 17.228 2.541 ( -10.971 0.000 -3.241) 11.440 2.702 ( 19.254 0.000 -2.480) 19.414 2.761 ( 5.815 0.000 4.231) 7.192 2.891 ( 4.013 0.000 4.596) 6.101 2.901 ( 0.570 0.000 -2.376) 2.444 3.042 ( -8.115 0.000 -2.835) 8.596 3.188 ( -1.878 0.000 1.778) 2.586 3.211 ( 3.338 0.000 -0.319) 3.354 3.221 ( 0.203 0.000 0.874) 0.898 3.340 ( -0.295 0.000 9.359) 9.363 3.396 ( -1.574 0.000 -3.418) 3.763 3.474 ( -8.632 0.000 0.992) 8.689 3.479 ( -2.249 0.000 -1.821) 2.893 3.606 ( 5.738 0.000 1.097) 5.842 3.667 ( 1.372 0.000 -0.258) 1.396 3.721 ( -6.019 0.000 5.709) 8.296 3.834 ( 5.698 0.000 -0.473) 5.718 3.850 ( -2.777 0.000 -2.340) 3.631 3.952 ( -4.593 0.000 7.250) 8.583 4.101 ( -2.339 0.000 1.736) 2.913 4.128 ( 3.392 0.000 -3.527) 4.894 4.164 ( -1.297 0.000 1.264) 1.811 4.251 ( -4.212 0.000 -0.184) 4.216 4.353 ( -4.576 0.000 -6.890) 8.271 4.411 ( 3.275 0.000 -2.103) 3.892 4.458 ( 5.929 0.000 7.432) 9.507 4.778 ( -5.007 0.000 -0.620) 5.045 4.885 ( -1.143 0.000 -1.460) 1.854 5.068 ( 1.481 0.000 -0.501) 1.563 5.110 ( 3.344 0.000 -0.601) 3.397 5.252 ( 1.228 0.000 4.378) 4.547 5.255 ( 2.580 0.000 -1.049) 2.785 5.479 ( 1.878 0.000 -0.977) 2.116 5.517 ( -11.482 0.000 -13.101) 17.421 5.569 ( -1.955 0.000 -3.682) 4.169 5.948 ( -5.203 0.000 -4.872) 7.128 6.238 ( -1.586 0.000 -0.781) 1.768 6.332 ( -1.452 0.000 1.294) 1.945 8.582 ( -0.461 0.000 2.476) 2.519 8.807 ( 3.693 0.000 3.293) 4.948 10.385 ( -0.900 0.000 1.272) 1.558 10.445 ( -0.457 0.000 1.752) 1.810 11.097 ( -1.686 0.000 -1.692) 2.388 11.154 ( 0.351 0.000 0.404) 0.536 11.330 ( -0.799 0.000 -1.426) 1.635 11.381 ( -1.213 0.000 -1.195) 1.702 14.575 ( 1.123 0.000 1.334) 1.744 14.734 ( 0.944 0.000 2.203) 2.397 14.757 ( 3.204 0.000 0.615) 3.262 14.795 ( 1.516 0.000 3.452) 3.770 14.815 ( 0.265 0.000 0.349) 0.438 14.912 ( 1.161 0.000 -0.166) 1.173 14.924 ( -0.932 0.000 1.921) 2.135 15.083 ( -1.037 0.000 -0.839) 1.334 15.362 ( 1.576 0.000 -2.143) 2.660 15.502 ( 0.329 0.000 -0.981) 1.035 16.721 ( -0.358 0.000 -0.305) 0.470 16.767 ( -1.265 0.000 -2.782) 3.056 20.342 ( -1.617 0.000 4.031) 4.343 20.457 ( -3.339 0.000 9.436) 10.010 21.841 ( -0.067 0.000 -0.048) 0.083 21.846 ( -0.122 0.000 0.420) 0.437 23.109 ( -0.461 0.000 0.246) 0.522 23.144 ( -0.366 0.000 -0.534) 0.648 28.229 ( -0.927 0.000 -0.161) 0.941 28.269 ( -1.555 0.000 3.456) 3.790 28.929 ( -0.413 0.000 0.773) 0.876 29.012 ( 0.478 0.000 -0.716) 0.861 32.804 ( 0.107 0.000 2.416) 2.418 32.885 ( 1.188 0.000 -1.498) 1.912 33.036 ( -1.171 0.000 -3.281) 3.484 33.263 ( -6.417 0.000 3.429) 7.275 33.599 ( 4.783 0.000 -0.635) 4.825 33.812 ( 0.359 0.000 2.400) 2.427 34.388 ( 0.456 0.000 -4.018) 4.044 34.497 ( 6.699 0.000 -8.574) 10.881 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -3.446 0.000 0.702) 3.517 1.491 ( 5.886 0.000 -0.863) 5.949 1.882 ( 6.374 0.000 0.859) 6.432 1.910 ( 3.183 0.000 -0.939) 3.318 2.132 ( 5.487 0.000 8.295) 9.945 2.239 ( -0.008 0.000 -4.361) 4.361 2.295 ( -1.647 0.000 -1.824) 2.458 2.372 ( -5.079 0.000 -1.253) 5.231 2.493 ( 0.501 0.000 -0.776) 0.924 2.886 ( 4.886 0.000 3.184) 5.832 2.905 ( -4.414 0.000 -1.530) 4.672 2.956 ( 1.270 0.000 2.288) 2.617 2.973 ( 6.760 0.000 -3.408) 7.570 3.077 ( 2.119 0.000 -0.233) 2.131 3.135 ( 2.982 0.000 1.134) 3.190 3.246 ( 1.553 0.000 0.673) 1.693 3.300 ( 3.777 0.000 2.396) 4.473 3.361 ( -0.801 0.000 6.553) 6.602 3.394 ( 1.657 0.000 -1.815) 2.457 3.400 ( 5.350 0.000 -0.079) 5.350 3.428 ( -1.424 0.000 -4.664) 4.877 3.617 ( -5.205 0.000 2.061) 5.599 3.638 ( -3.333 0.000 3.505) 4.837 3.672 ( -3.158 0.000 -2.417) 3.977 3.774 ( -0.241 0.000 -0.211) 0.320 3.895 ( 0.495 0.000 0.059) 0.499 3.946 ( 0.533 0.000 1.388) 1.486 4.083 ( 1.920 0.000 2.164) 2.893 4.132 ( -1.279 0.000 -1.933) 2.318 4.162 ( 0.102 0.000 1.180) 1.184 4.200 ( -1.197 0.000 0.607) 1.342 4.208 ( -7.116 0.000 -5.504) 8.996 4.456 ( 2.558 0.000 -3.727) 4.520 4.507 ( -3.866 0.000 6.015) 7.150 4.835 ( 11.935 0.000 1.768) 12.065 4.882 ( 0.478 0.000 -0.457) 0.662 5.079 ( 0.081 0.000 0.169) 0.187 5.164 ( 1.878 0.000 -0.434) 1.927 5.190 ( -14.138 0.000 -3.707) 14.616 5.270 ( 0.017 0.000 -1.124) 1.125 5.305 ( -0.768 0.000 -2.348) 2.471 5.511 ( 1.342 0.000 0.506) 1.434 5.545 ( -0.291 0.000 -1.927) 1.949 5.877 ( -1.610 0.000 -1.010) 1.901 6.216 ( -0.537 0.000 -0.228) 0.584 6.315 ( -0.575 0.000 0.600) 0.831 8.580 ( -0.245 0.000 0.928) 0.960 8.866 ( 1.499 0.000 1.355) 2.021 10.375 ( -0.397 0.000 0.456) 0.604 10.440 ( -0.313 0.000 0.585) 0.664 11.074 ( -0.477 0.000 -0.597) 0.764 11.160 ( 0.135 0.000 0.204) 0.245 11.317 ( -0.300 0.000 -0.600) 0.671 11.362 ( -0.502 0.000 -0.516) 0.719 14.595 ( 0.584 0.000 0.540) 0.796 14.754 ( 0.511 0.000 0.602) 0.790 14.804 ( 1.535 0.000 -0.732) 1.701 14.819 ( 0.189 0.000 0.342) 0.391 14.823 ( 0.363 0.000 2.265) 2.294 14.918 ( -0.259 0.000 0.778) 0.820 14.934 ( 0.884 0.000 0.049) 0.886 15.058 ( -1.013 0.000 -0.485) 1.123 15.372 ( 0.291 0.000 -0.995) 1.037 15.504 ( 0.102 0.000 -0.404) 0.417 16.715 ( -0.170 0.000 -0.132) 0.216 16.745 ( -0.418 0.000 -1.096) 1.173 20.328 ( -0.695 0.000 1.542) 1.692 20.433 ( -1.152 0.000 2.807) 3.034 21.840 ( -0.029 0.000 -0.017) 0.033 21.845 ( -0.086 0.000 0.141) 0.165 23.103 ( -0.209 0.000 0.079) 0.223 23.138 ( -0.138 0.000 -0.203) 0.245 28.217 ( -0.331 0.000 -0.076) 0.340 28.257 ( -0.510 0.000 1.025) 1.145 28.925 ( -0.195 0.000 0.287) 0.347 29.017 ( 0.179 0.000 -0.262) 0.317 32.813 ( 0.146 0.000 1.159) 1.168 32.902 ( 0.776 0.000 -0.843) 1.146 33.009 ( -0.655 0.000 -1.475) 1.614 33.181 ( -2.738 0.000 1.602) 3.173 33.663 ( 1.924 0.000 -0.432) 1.972 33.822 ( 0.128 0.000 1.103) 1.110 34.384 ( 0.206 0.000 -1.820) 1.832 34.570 ( 2.435 0.000 -2.080) 3.203 ======================= Grid point 9 (6/96) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 0.000 25.775 0.000) 25.775 0.542 ( 0.000 27.109 0.000) 27.109 0.882 ( 0.000 41.921 0.000) 41.921 1.257 ( 0.000 16.368 0.000) 16.368 1.691 ( 0.000 -10.554 0.000) 10.554 1.762 ( 0.000 4.940 0.000) 4.940 1.943 ( 0.000 -15.793 0.000) 15.793 2.224 ( 0.000 2.013 0.000) 2.013 2.358 ( 0.000 -8.595 0.000) 8.595 2.681 ( 0.000 9.584 0.000) 9.584 2.972 ( 0.000 -1.421 0.000) 1.421 2.994 ( 0.000 -3.778 0.000) 3.778 3.194 ( 0.000 0.676 0.000) 0.676 3.204 ( 0.000 4.904 0.000) 4.904 3.211 ( 0.000 -6.636 0.000) 6.636 3.249 ( 0.000 -0.230 0.000) 0.230 3.324 ( 0.000 -4.130 0.000) 4.130 3.400 ( 0.000 -5.598 0.000) 5.598 3.444 ( 0.000 -3.409 0.000) 3.409 3.477 ( 0.000 -0.102 0.000) 0.102 3.552 ( 0.000 2.563 0.000) 2.563 3.639 ( 0.000 -0.360 0.000) 0.360 3.660 ( 0.000 -1.152 0.000) 1.152 3.750 ( 0.000 4.351 0.000) 4.351 3.760 ( 0.000 -6.055 0.000) 6.055 3.850 ( 0.000 0.945 0.000) 0.945 3.907 ( 0.000 2.374 0.000) 2.374 3.976 ( 0.000 -0.356 0.000) 0.356 4.021 ( 0.000 -0.280 0.000) 0.280 4.040 ( 0.000 -9.933 0.000) 9.933 4.161 ( 0.000 -4.066 0.000) 4.066 4.297 ( 0.000 -5.300 0.000) 5.300 4.418 ( 0.000 1.626 0.000) 1.626 4.431 ( 0.000 3.300 0.000) 3.300 4.912 ( 0.000 0.021 0.000) 0.021 4.941 ( 0.000 -0.808 0.000) 0.808 4.984 ( 0.000 1.772 0.000) 1.772 5.091 ( 0.000 7.031 0.000) 7.031 5.212 ( 0.000 -0.045 0.000) 0.045 5.367 ( 0.000 12.030 0.000) 12.030 5.392 ( 0.000 -2.494 0.000) 2.494 5.790 ( 0.000 -1.424 0.000) 1.424 5.848 ( 0.000 3.625 0.000) 3.625 6.304 ( 0.000 0.279 0.000) 0.279 6.325 ( 0.000 -0.164 0.000) 0.164 6.436 ( 0.000 -7.427 0.000) 7.427 8.572 ( 0.000 0.365 0.000) 0.365 8.615 ( 0.000 -0.678 0.000) 0.678 10.414 ( 0.000 0.606 0.000) 0.606 10.427 ( 0.000 0.262 0.000) 0.262 11.142 ( 0.000 0.749 0.000) 0.749 11.219 ( 0.000 -1.282 0.000) 1.282 11.335 ( 0.000 1.274 0.000) 1.274 11.444 ( 0.000 -1.513 0.000) 1.513 14.538 ( 0.000 -0.008 0.000) 0.008 14.574 ( 0.000 -1.716 0.000) 1.716 14.658 ( 0.000 2.122 0.000) 2.122 14.722 ( 0.000 -0.227 0.000) 0.227 14.899 ( 0.000 1.186 0.000) 1.186 14.963 ( 0.000 0.288 0.000) 0.288 15.030 ( 0.000 -0.148 0.000) 0.148 15.036 ( 0.000 -0.918 0.000) 0.918 15.270 ( 0.000 0.245 0.000) 0.245 15.291 ( 0.000 -0.241 0.000) 0.241 16.747 ( 0.000 1.101 0.000) 1.101 16.850 ( 0.000 -1.300 0.000) 1.300 20.296 ( 0.000 1.697 0.000) 1.697 20.445 ( 0.000 -1.815 0.000) 1.815 21.840 ( 0.000 0.066 0.000) 0.066 21.844 ( 0.000 -0.031 0.000) 0.031 23.127 ( 0.000 0.452 0.000) 0.452 23.163 ( 0.000 -0.395 0.000) 0.395 28.217 ( 0.000 0.790 0.000) 0.790 28.295 ( 0.000 -1.070 0.000) 1.070 28.940 ( 0.000 0.618 0.000) 0.618 28.988 ( 0.000 -0.528 0.000) 0.528 32.886 ( 0.000 2.468 0.000) 2.468 33.072 ( 0.000 -1.923 0.000) 1.923 33.263 ( 0.000 0.482 0.000) 0.482 33.308 ( 0.000 -0.636 0.000) 0.636 33.580 ( 0.000 2.073 0.000) 2.073 33.768 ( 0.000 -2.396 0.000) 2.396 34.238 ( 0.000 0.754 0.000) 0.754 34.295 ( 0.000 -0.614 0.000) 0.614 ======================= Grid point 10 (7/96) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 17.105 17.091 6.477) 25.032 0.812 ( 22.690 18.024 1.207) 29.002 1.122 ( 18.210 22.001 -3.213) 28.740 1.390 ( 15.723 19.596 1.921) 25.197 1.633 ( -10.824 1.424 -1.015) 10.964 1.816 ( 9.694 -10.880 -0.140) 14.573 2.013 ( 5.684 -10.875 3.241) 12.692 2.224 ( -0.154 1.042 -1.083) 1.511 2.335 ( 1.212 -8.414 0.142) 8.502 2.671 ( -2.201 3.520 1.584) 4.443 2.877 ( -2.162 6.243 0.415) 6.619 2.983 ( -6.445 -3.047 -1.296) 7.246 3.127 ( -4.397 -3.166 0.845) 5.484 3.171 ( 0.535 1.719 2.776) 3.309 3.205 ( -3.581 -3.876 -4.164) 6.722 3.255 ( -0.654 0.867 0.533) 1.209 3.305 ( -2.452 -2.449 1.417) 3.744 3.379 ( -1.284 -1.947 1.909) 3.014 3.411 ( -0.647 0.526 1.367) 1.601 3.465 ( -4.058 1.740 -2.687) 5.169 3.571 ( -0.882 -1.774 -2.008) 2.821 3.615 ( 2.689 1.820 0.751) 3.332 3.631 ( 0.915 -0.419 0.300) 1.050 3.714 ( -1.323 2.657 -2.280) 3.743 3.816 ( 0.848 -7.909 3.336) 8.625 3.835 ( -2.294 -1.276 -1.615) 3.082 3.931 ( 2.197 0.756 -0.077) 2.325 3.987 ( 0.978 -3.416 8.086) 8.832 4.059 ( 4.193 -0.081 5.492) 6.910 4.138 ( 0.818 -5.587 7.205) 9.154 4.193 ( 3.099 -4.612 0.963) 5.639 4.327 ( 0.967 -6.569 0.512) 6.659 4.415 ( 0.884 4.947 -3.717) 6.251 4.480 ( 2.998 3.834 -1.333) 5.046 4.891 ( -1.082 1.438 -0.260) 1.818 4.933 ( -0.506 -0.215 0.807) 0.976 4.992 ( 2.071 0.087 -1.594) 2.614 5.124 ( 1.494 0.735 2.121) 2.696 5.200 ( 0.927 6.505 -0.002) 6.571 5.296 ( -5.271 10.954 0.508) 12.167 5.423 ( 1.348 -0.083 0.115) 1.355 5.775 ( -3.486 0.439 -3.986) 5.314 5.787 ( -4.011 0.762 0.074) 4.083 6.223 ( -6.236 -3.488 -23.486) 24.549 6.309 ( -0.544 -0.238 -0.543) 0.804 6.351 ( -1.345 -2.554 -4.548) 5.386 8.579 ( 0.449 0.813 1.737) 1.969 8.655 ( 2.618 -0.287 3.342) 4.256 10.410 ( -0.539 0.538 1.089) 1.329 10.432 ( 0.204 0.157 1.646) 1.666 11.132 ( -0.293 0.003 -0.187) 0.347 11.197 ( -2.163 -1.022 -1.083) 2.626 11.351 ( 0.593 -0.346 -0.306) 0.751 11.428 ( -1.132 -1.044 -1.016) 1.844 14.539 ( 0.223 0.125 0.932) 0.967 14.612 ( 1.988 -2.747 4.192) 5.391 14.673 ( 1.182 1.232 2.096) 2.703 14.728 ( 0.610 -0.102 0.761) 0.981 14.846 ( -3.322 1.872 1.341) 4.043 14.920 ( -1.398 1.365 0.074) 1.956 15.001 ( -2.204 0.837 1.998) 3.090 15.076 ( 1.470 -0.362 0.431) 1.574 15.266 ( 4.124 2.456 -1.635) 5.071 15.431 ( 4.786 -4.101 0.912) 6.369 16.742 ( -0.160 0.958 -1.144) 1.501 16.836 ( -1.203 -1.091 -1.608) 2.286 20.349 ( 0.760 -0.857 7.532) 7.619 20.463 ( -2.266 -3.600 20.006) 20.453 21.841 ( 0.095 0.061 0.206) 0.235 21.846 ( 0.113 0.054 0.192) 0.229 23.125 ( -0.164 0.444 0.003) 0.473 23.161 ( -0.238 -0.294 -0.155) 0.409 28.248 ( 0.546 -1.298 4.107) 4.342 28.287 ( -1.404 -1.341 4.325) 4.741 28.940 ( -0.039 0.604 0.389) 0.719 28.991 ( 0.366 -0.566 -0.494) 0.835 32.866 ( -2.107 2.772 -0.462) 3.512 33.012 ( -7.701 5.451 2.662) 9.803 33.102 ( -2.212 5.212 0.133) 5.664 33.371 ( 2.366 -2.867 1.120) 3.883 33.537 ( -3.792 2.954 1.241) 4.964 33.763 ( -0.162 -2.781 1.116) 3.001 34.243 ( 6.876 1.466 -16.479) 17.916 34.380 ( 5.077 -4.233 -15.863) 17.185 ======================= Grid point 11 (8/96) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 15.630 8.743 4.956) 18.582 1.250 ( 20.273 8.926 9.784) 24.216 1.295 ( -4.914 8.670 -3.539) 10.575 1.452 ( 10.350 4.293 -2.667) 11.518 1.900 ( 24.356 8.136 -0.374) 25.682 1.986 ( 8.307 -8.020 1.687) 11.669 2.160 ( -2.699 -4.846 -3.824) 6.738 2.187 ( 10.659 -8.728 3.361) 14.180 2.424 ( 7.103 -5.959 -1.043) 9.330 2.647 ( 0.482 1.837 1.727) 2.567 2.819 ( -6.463 2.946 1.468) 7.253 2.911 ( -0.553 3.659 2.586) 4.515 3.047 ( -5.784 7.676 0.755) 9.641 3.106 ( -2.209 -5.365 -5.387) 7.917 3.142 ( -3.666 -4.104 3.942) 6.769 3.222 ( -4.871 -1.256 -0.256) 5.037 3.260 ( -0.610 0.473 0.540) 0.942 3.328 ( -2.521 -0.305 1.989) 3.226 3.391 ( -2.577 -2.191 0.082) 3.384 3.486 ( 4.978 0.362 -0.103) 4.992 3.517 ( -1.901 0.557 -1.317) 2.378 3.656 ( -0.071 0.852 -4.086) 4.174 3.694 ( 2.881 1.175 1.928) 3.660 3.710 ( 1.993 1.509 3.675) 4.445 3.780 ( -2.791 -1.261 0.675) 3.136 3.831 ( -0.165 -6.626 2.881) 7.227 3.959 ( -2.106 -1.040 2.333) 3.310 4.020 ( 2.667 -1.264 1.703) 3.408 4.127 ( 1.934 -2.435 4.030) 5.090 4.161 ( 0.562 -1.712 -0.360) 1.838 4.272 ( 4.093 -3.684 2.462) 6.032 4.300 ( -2.188 -3.155 0.313) 3.853 4.443 ( 0.342 7.103 -2.728) 7.616 4.488 ( 0.447 4.523 -1.236) 4.710 4.859 ( -3.103 -0.523 0.307) 3.162 4.970 ( 3.973 1.813 -1.897) 4.762 5.032 ( 2.069 -1.928 -0.381) 2.854 5.092 ( -5.330 0.581 -1.354) 5.530 5.232 ( 1.269 9.238 -0.814) 9.360 5.262 ( 2.431 4.826 2.165) 5.821 5.435 ( 0.140 -1.115 -0.177) 1.138 5.652 ( -5.403 0.250 -4.111) 6.794 5.704 ( -5.546 -0.348 -7.786) 9.566 6.041 ( -6.221 -6.029 -13.780) 16.277 6.283 ( -1.795 0.472 -0.827) 2.032 6.331 ( -0.914 -2.096 0.936) 2.471 8.594 ( 0.252 1.548 2.681) 3.106 8.722 ( 3.214 -0.377 3.938) 5.097 10.400 ( -0.945 0.322 1.521) 1.819 10.439 ( -0.221 -0.359 2.204) 2.244 11.129 ( -0.437 -0.821 -0.644) 1.131 11.148 ( -1.795 -0.451 -1.037) 2.121 11.347 ( -0.514 -0.149 -1.288) 1.394 11.401 ( -1.245 -0.881 -1.335) 2.027 14.554 ( 0.984 0.429 1.587) 1.916 14.659 ( 1.784 -2.725 3.247) 4.599 14.710 ( 1.920 0.349 1.943) 2.754 14.751 ( 1.343 -0.301 1.895) 2.343 14.819 ( -0.265 1.075 0.556) 1.239 14.897 ( -1.020 -0.579 0.376) 1.232 14.980 ( -0.794 3.103 1.976) 3.763 15.095 ( 0.405 -0.054 0.045) 0.411 15.341 ( 3.681 2.119 -2.088) 4.733 15.482 ( 1.439 -1.536 -0.882) 2.282 16.735 ( -0.267 0.720 -0.939) 1.213 16.801 ( -1.594 -0.619 -2.778) 3.262 20.360 ( -1.188 0.195 5.391) 5.524 20.462 ( -3.516 -2.749 15.592) 16.218 21.843 ( -0.019 0.084 0.112) 0.141 21.848 ( -0.007 0.130 0.409) 0.429 23.120 ( -0.364 0.410 0.118) 0.561 23.153 ( -0.493 -0.155 -0.424) 0.669 28.247 ( -0.916 -0.304 0.403) 1.046 28.274 ( -1.597 -1.373 5.276) 5.681 28.939 ( -0.227 0.594 0.683) 0.933 28.997 ( 0.457 -0.700 -0.724) 1.106 32.822 ( -1.907 2.368 0.210) 3.048 32.930 ( -2.395 3.355 0.738) 4.187 33.088 ( -0.150 3.316 -1.935) 3.842 33.358 ( -5.006 -2.607 3.322) 6.550 33.526 ( 3.285 2.646 -0.058) 4.218 33.769 ( 0.283 -2.894 1.909) 3.479 34.349 ( 6.215 0.043 -3.710) 7.238 34.404 ( 4.291 -1.986 -17.783) 18.401 ======================= Grid point 12 (9/96) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -9.670 4.375 1.995) 10.799 1.428 ( 12.287 10.884 -0.931) 16.441 1.640 ( 17.096 1.211 5.358) 17.957 1.744 ( 16.072 4.037 -1.500) 16.639 1.920 ( -6.197 -14.479 7.093) 17.273 2.142 ( 2.711 -4.582 -2.366) 5.826 2.256 ( 6.044 -6.238 -3.938) 9.537 2.422 ( 6.335 -3.866 0.630) 7.448 2.607 ( 6.841 5.224 -3.677) 9.360 2.734 ( 10.145 2.043 1.077) 10.404 2.760 ( 4.595 2.369 6.270) 8.126 2.877 ( -2.536 0.768 2.022) 3.333 2.970 ( -0.885 3.025 -1.526) 3.502 3.010 ( -6.397 -2.946 -1.059) 7.122 3.107 ( -0.700 -4.644 -3.147) 5.653 3.171 ( -1.688 -1.225 2.078) 2.944 3.271 ( -0.740 0.096 0.632) 0.977 3.321 ( 4.265 1.786 1.442) 4.843 3.368 ( -0.293 0.544 5.201) 5.238 3.480 ( -1.156 0.225 -0.822) 1.437 3.545 ( -0.835 -0.193 -3.184) 3.297 3.641 ( -3.911 -0.690 3.477) 5.279 3.684 ( 0.789 1.163 0.633) 1.542 3.735 ( 0.448 5.471 3.419) 6.466 3.798 ( 0.398 -2.317 -1.285) 2.680 3.842 ( 0.768 -5.323 3.590) 6.467 3.908 ( -0.251 3.547 -0.971) 3.686 4.086 ( 2.243 -2.505 -1.823) 3.825 4.136 ( -0.935 -1.827 -4.766) 5.189 4.166 ( 0.076 0.201 4.865) 4.870 4.252 ( -1.358 0.812 0.044) 1.583 4.378 ( -3.671 4.621 -3.301) 6.762 4.409 ( 6.147 -3.806 6.252) 9.558 4.491 ( -0.756 3.774 -2.451) 4.563 4.784 ( -4.944 1.141 -0.262) 5.081 4.935 ( -4.246 4.121 -1.854) 6.200 5.058 ( 0.947 -1.498 -0.295) 1.796 5.087 ( 3.979 -2.191 -0.949) 4.640 5.254 ( 0.693 0.893 -0.463) 1.222 5.299 ( -0.323 3.671 1.871) 4.134 5.411 ( -3.974 -4.508 -5.720) 8.297 5.534 ( -5.941 -0.114 -5.924) 8.391 5.595 ( -0.601 2.907 -3.395) 4.509 5.921 ( -3.676 -2.972 -3.480) 5.870 6.248 ( -1.448 0.877 -0.658) 1.816 6.316 ( -1.014 -1.410 1.459) 2.268 8.603 ( -0.118 2.155 2.268) 3.131 8.792 ( 2.820 -1.664 3.203) 4.580 10.386 ( -0.932 0.157 1.208) 1.534 10.436 ( -0.632 -0.852 1.588) 1.910 11.098 ( -1.339 0.164 -1.403) 1.946 11.143 ( 0.262 -1.025 0.282) 1.095 11.331 ( -0.623 0.176 -1.327) 1.476 11.374 ( -1.101 -0.682 -1.234) 1.789 14.582 ( 1.301 0.776 1.356) 2.033 14.699 ( 1.594 -2.594 1.741) 3.507 14.752 ( 1.973 -0.647 0.972) 2.293 14.786 ( 1.409 -0.859 2.838) 3.283 14.827 ( 0.649 1.154 0.206) 1.340 14.888 ( -0.060 -1.168 0.579) 1.305 14.975 ( -0.364 3.382 1.275) 3.633 15.090 ( -0.877 0.219 -0.150) 0.916 15.383 ( 1.572 2.040 -2.161) 3.361 15.496 ( 0.615 -0.639 -1.230) 1.516 16.727 ( -0.310 0.609 -0.654) 0.946 16.766 ( -1.125 -0.183 -2.469) 2.720 20.347 ( -1.498 0.611 4.180) 4.482 20.438 ( -2.697 -1.723 8.313) 8.908 21.842 ( -0.051 0.114 0.029) 0.129 21.848 ( -0.164 0.083 0.336) 0.383 23.113 ( -0.433 0.390 0.097) 0.591 23.142 ( -0.440 -0.178 -0.423) 0.636 28.230 ( -0.817 0.087 0.034) 0.822 28.260 ( -1.152 -0.800 2.858) 3.183 28.936 ( -0.338 0.654 0.585) 0.940 29.003 ( 0.363 -0.886 -0.581) 1.119 32.802 ( -0.434 0.444 0.830) 1.036 32.897 ( -1.427 -0.028 -0.765) 1.619 33.077 ( -0.382 4.219 -1.674) 4.555 33.263 ( -5.276 -0.189 3.170) 6.158 33.605 ( 4.270 0.814 -0.496) 4.376 33.783 ( 0.382 -2.866 1.901) 3.460 34.393 ( 1.307 0.614 -4.113) 4.359 34.483 ( 6.328 -1.416 -7.517) 9.927 ======================= Grid point 13 (10/96) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -3.275 5.522 1.018) 6.500 1.606 ( 6.780 8.953 -2.532) 11.512 1.758 ( -3.478 -10.819 1.678) 11.488 1.921 ( 5.078 -1.164 3.163) 6.094 2.032 ( 9.791 -2.588 0.918) 10.169 2.150 ( -0.534 -5.226 -0.103) 5.255 2.329 ( 2.839 -1.085 -1.090) 3.229 2.456 ( -0.540 3.157 -0.456) 3.235 2.551 ( -4.019 5.940 -1.571) 7.342 2.826 ( 0.509 -4.328 0.327) 4.370 2.835 ( -3.117 -5.373 0.903) 6.277 2.909 ( 3.978 -2.986 2.081) 5.392 3.006 ( 3.802 0.318 -1.980) 4.298 3.036 ( 4.233 -2.384 1.669) 5.137 3.105 ( -1.938 -2.772 1.739) 3.803 3.138 ( -0.734 -3.283 -1.495) 3.681 3.274 ( 1.776 -3.695 -0.154) 4.103 3.361 ( -0.209 -2.369 5.774) 6.244 3.427 ( -2.974 0.305 -5.122) 5.931 3.488 ( 6.825 9.490 -1.176) 11.749 3.532 ( 3.667 3.905 0.233) 5.362 3.576 ( -1.734 0.198 2.195) 2.804 3.684 ( -4.255 0.957 -0.028) 4.361 3.725 ( 0.436 6.551 1.553) 6.747 3.808 ( 0.427 -0.303 2.693) 2.743 3.872 ( 0.945 0.284 -0.074) 0.989 3.931 ( 1.421 1.525 -1.339) 2.477 4.060 ( -1.511 -1.814 -1.043) 2.581 4.152 ( 1.354 1.196 -2.428) 3.027 4.165 ( 0.130 0.381 1.127) 1.197 4.220 ( -3.430 0.788 0.742) 3.597 4.275 ( -3.139 6.457 -1.743) 7.388 4.444 ( -1.519 -2.627 0.531) 3.081 4.532 ( -0.227 3.188 1.811) 3.674 4.768 ( 8.073 -5.167 0.886) 9.626 4.899 ( -1.182 0.500 -0.867) 1.549 5.059 ( -1.607 -3.114 -0.317) 3.518 5.135 ( -3.173 -2.274 -1.442) 4.161 5.163 ( -5.497 -0.924 -2.440) 6.085 5.254 ( -0.491 -1.077 -0.525) 1.295 5.341 ( 0.058 2.469 -1.570) 2.927 5.497 ( 0.115 -1.717 -0.118) 1.725 5.597 ( 0.579 5.173 -0.945) 5.290 5.871 ( -1.123 -0.913 -0.767) 1.638 6.229 ( -0.473 1.135 -0.189) 1.244 6.305 ( -0.436 -0.974 0.615) 1.232 8.605 ( -0.122 2.505 0.863) 2.652 8.838 ( 1.135 -2.775 1.237) 3.244 10.376 ( -0.388 0.132 0.447) 0.607 10.429 ( -0.343 -1.031 0.536) 1.212 11.080 ( -0.370 0.616 -0.486) 0.867 11.148 ( 0.126 -1.140 0.147) 1.156 11.320 ( -0.255 0.320 -0.553) 0.688 11.356 ( -0.453 -0.525 -0.519) 0.866 14.605 ( 0.637 0.962 0.538) 1.273 14.725 ( 0.702 -2.293 0.534) 2.457 14.783 ( 0.970 -1.578 0.151) 1.858 14.812 ( 0.525 -1.170 1.494) 1.969 14.837 ( 0.289 1.452 0.078) 1.483 14.894 ( 0.277 -1.383 0.191) 1.423 14.973 ( -0.151 2.881 0.534) 2.934 15.071 ( -0.749 0.608 -0.139) 0.975 15.394 ( 0.330 2.085 -0.976) 2.326 15.500 ( 0.173 -0.413 -0.523) 0.688 16.721 ( -0.145 0.585 -0.249) 0.652 16.746 ( -0.376 0.055 -0.970) 1.042 20.335 ( -0.664 0.749 1.579) 1.870 20.419 ( -0.994 -1.295 2.577) 3.051 21.841 ( -0.004 0.137 -0.004) 0.137 21.845 ( -0.122 0.031 0.127) 0.178 23.107 ( -0.198 0.385 0.032) 0.435 23.136 ( -0.171 -0.240 -0.174) 0.342 28.220 ( -0.295 0.254 -0.005) 0.390 28.251 ( -0.407 -0.532 0.874) 1.101 28.932 ( -0.162 0.722 0.222) 0.772 29.006 ( 0.137 -1.002 -0.214) 1.034 32.805 ( 0.244 -0.507 0.705) 0.902 32.871 ( -0.831 -2.261 -0.835) 2.550 33.068 ( -0.097 4.828 -0.653) 4.873 33.197 ( -2.136 1.324 1.343) 2.849 33.664 ( 1.807 0.221 -0.344) 1.853 33.792 ( 0.094 -2.908 0.864) 3.035 34.402 ( 0.544 1.735 -1.710) 2.496 34.552 ( 2.304 -1.806 -1.940) 3.512 ======================= Grid point 18 (11/96) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 21.574 0.000) 21.574 1.057 ( 0.000 26.059 0.000) 26.059 1.299 ( 0.000 -9.094 0.000) 9.094 1.543 ( 0.000 -23.282 0.000) 23.282 1.601 ( 0.000 16.239 0.000) 16.239 1.681 ( 0.000 12.394 0.000) 12.394 1.896 ( 0.000 8.361 0.000) 8.361 2.102 ( 0.000 -13.325 0.000) 13.325 2.362 ( 0.000 13.404 0.000) 13.404 2.815 ( 0.000 4.784 0.000) 4.784 2.830 ( 0.000 -26.563 0.000) 26.563 2.913 ( 0.000 -6.193 0.000) 6.193 3.036 ( 0.000 7.693 0.000) 7.693 3.214 ( 0.000 -9.668 0.000) 9.668 3.238 ( 0.000 0.317 0.000) 0.317 3.260 ( 0.000 -1.764 0.000) 1.764 3.273 ( 0.000 3.206 0.000) 3.206 3.315 ( 0.000 3.070 0.000) 3.070 3.387 ( 0.000 -0.290 0.000) 0.290 3.469 ( 0.000 -3.865 0.000) 3.865 3.572 ( 0.000 -1.262 0.000) 1.262 3.580 ( 0.000 -0.212 0.000) 0.212 3.681 ( 0.000 4.981 0.000) 4.981 3.757 ( 0.000 1.864 0.000) 1.864 3.789 ( 0.000 -0.268 0.000) 0.268 3.815 ( 0.000 -7.116 0.000) 7.116 3.924 ( 0.000 1.815 0.000) 1.815 3.958 ( 0.000 1.923 0.000) 1.923 3.986 ( 0.000 -0.144 0.000) 0.144 3.991 ( 0.000 -2.867 0.000) 2.867 4.133 ( 0.000 1.939 0.000) 1.939 4.200 ( 0.000 -4.199 0.000) 4.199 4.475 ( 0.000 1.954 0.000) 1.954 4.479 ( 0.000 1.345 0.000) 1.345 4.911 ( 0.000 0.141 0.000) 0.141 4.922 ( 0.000 -0.939 0.000) 0.939 5.033 ( 0.000 3.118 0.000) 3.118 5.096 ( 0.000 -2.899 0.000) 2.899 5.256 ( 0.000 3.473 0.000) 3.473 5.329 ( 0.000 -3.781 0.000) 3.781 5.621 ( 0.000 10.174 0.000) 10.174 5.744 ( 0.000 -3.628 0.000) 3.628 5.983 ( 0.000 10.890 0.000) 10.890 6.231 ( 0.000 -12.620 0.000) 12.620 6.313 ( 0.000 0.264 0.000) 0.264 6.320 ( 0.000 -0.325 0.000) 0.325 8.582 ( 0.000 0.729 0.000) 0.729 8.599 ( 0.000 -0.921 0.000) 0.921 10.426 ( 0.000 0.504 0.000) 0.504 10.430 ( 0.000 0.035 0.000) 0.035 11.162 ( 0.000 1.282 0.000) 1.282 11.190 ( 0.000 -1.521 0.000) 1.521 11.366 ( 0.000 1.897 0.000) 1.897 11.406 ( 0.000 -2.139 0.000) 2.139 14.539 ( 0.000 0.198 0.000) 0.198 14.549 ( 0.000 -0.866 0.000) 0.866 14.693 ( 0.000 1.459 0.000) 1.459 14.714 ( 0.000 -0.670 0.000) 0.670 14.930 ( 0.000 1.800 0.000) 1.800 14.960 ( 0.000 -0.959 0.000) 0.959 15.021 ( 0.000 -0.248 0.000) 0.248 15.025 ( 0.000 -0.357 0.000) 0.357 15.276 ( 0.000 0.399 0.000) 0.399 15.284 ( 0.000 -0.397 0.000) 0.397 16.777 ( 0.000 1.894 0.000) 1.894 16.816 ( 0.000 -2.018 0.000) 2.018 20.341 ( 0.000 2.798 0.000) 2.798 20.398 ( 0.000 -2.870 0.000) 2.870 21.841 ( 0.000 0.087 0.000) 0.087 21.843 ( 0.000 -0.065 0.000) 0.065 23.138 ( 0.000 0.700 0.000) 0.700 23.152 ( 0.000 -0.665 0.000) 0.665 28.239 ( 0.000 1.396 0.000) 1.396 28.269 ( 0.000 -1.566 0.000) 1.566 28.955 ( 0.000 0.936 0.000) 0.936 28.974 ( 0.000 -0.883 0.000) 0.883 32.948 ( 0.000 3.684 0.000) 3.684 33.019 ( 0.000 -3.340 0.000) 3.340 33.276 ( 0.000 0.797 0.000) 0.797 33.293 ( 0.000 -0.884 0.000) 0.884 33.635 ( 0.000 3.440 0.000) 3.440 33.706 ( 0.000 -3.648 0.000) 3.648 34.257 ( 0.000 1.112 0.000) 1.112 34.279 ( 0.000 -1.033 0.000) 1.033 ======================= Grid point 19 (12/96) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 8.142 22.475 2.891) 24.078 1.183 ( 16.181 18.597 -1.024) 24.672 1.442 ( 11.126 -3.512 -0.063) 11.668 1.529 ( 0.736 -13.408 -1.767) 13.544 1.609 ( 0.938 5.943 -3.421) 6.921 1.761 ( 2.093 -2.529 2.120) 3.907 1.905 ( 6.679 11.230 5.199) 14.063 2.097 ( -1.957 -11.078 1.623) 11.366 2.350 ( 0.784 12.621 -2.852) 12.962 2.707 ( -4.840 -6.938 1.894) 8.669 2.853 ( -0.819 -11.039 -2.516) 11.352 2.901 ( -2.375 -5.381 -0.981) 5.963 3.044 ( 1.222 8.393 -0.077) 8.482 3.171 ( -3.491 -2.146 -1.713) 4.441 3.242 ( -0.975 -2.944 2.820) 4.192 3.248 ( -1.955 -1.505 2.247) 3.337 3.268 ( -0.447 2.647 2.505) 3.672 3.307 ( -0.645 -1.981 2.758) 3.456 3.423 ( 2.457 2.476 1.488) 3.793 3.495 ( 1.317 -2.066 0.789) 2.574 3.555 ( -1.667 1.341 0.286) 2.158 3.596 ( 1.292 -2.187 -1.988) 3.226 3.669 ( 0.646 3.453 0.024) 3.513 3.699 ( -3.296 -0.606 -2.846) 4.397 3.746 ( -3.212 -1.365 -4.752) 5.896 3.782 ( -1.968 -4.356 -1.068) 4.898 3.948 ( 1.587 2.205 -0.622) 2.787 3.996 ( 2.362 0.776 0.984) 2.674 4.029 ( 2.319 -2.249 6.924) 7.641 4.054 ( 4.281 -2.174 4.577) 6.633 4.166 ( 2.648 1.970 2.936) 4.417 4.230 ( 1.673 -3.967 2.258) 4.862 4.497 ( 2.999 2.965 -3.305) 5.358 4.523 ( 4.080 0.395 -3.128) 5.157 4.906 ( -1.327 0.556 1.216) 1.884 4.920 ( -0.287 -0.864 0.976) 1.335 5.016 ( -0.111 2.457 -1.956) 3.142 5.077 ( -1.181 -3.384 0.123) 3.586 5.292 ( 2.991 3.630 -0.438) 4.724 5.354 ( 2.027 -2.565 -2.045) 3.856 5.616 ( -0.507 12.187 -0.078) 12.198 5.747 ( 0.099 -3.052 -1.121) 3.252 5.861 ( -10.790 7.489 -4.417) 13.857 6.071 ( -11.465 -11.360 -12.975) 20.709 6.308 ( -0.663 0.257 0.611) 0.938 6.319 ( -1.070 -0.852 1.739) 2.213 8.603 ( 1.493 1.559 2.436) 3.254 8.635 ( 2.573 -1.551 3.415) 4.549 10.423 ( -0.535 0.650 1.185) 1.453 10.432 ( -0.195 -0.229 1.402) 1.434 11.144 ( -1.326 1.121 -0.647) 1.853 11.171 ( -1.762 -1.505 -0.821) 2.458 11.364 ( -0.110 1.399 -0.892) 1.663 11.397 ( -0.671 -1.817 -1.041) 2.199 14.547 ( 0.705 0.744 1.215) 1.590 14.569 ( 1.458 -1.592 2.300) 3.154 14.701 ( 0.810 1.332 0.259) 1.580 14.721 ( 0.741 -0.669 0.036) 0.999 14.881 ( -3.275 1.836 0.637) 3.808 14.915 ( -2.951 -1.399 0.075) 3.267 15.029 ( 0.436 1.715 1.889) 2.589 15.059 ( 1.450 -1.292 1.700) 2.581 15.315 ( 4.444 2.479 -1.215) 5.232 15.365 ( 5.386 -2.826 -0.297) 6.090 16.770 ( -0.405 1.762 -1.488) 2.342 16.806 ( -0.783 -1.827 -1.438) 2.453 20.359 ( 0.300 1.721 6.153) 6.396 20.404 ( -0.717 -2.711 7.573) 8.076 21.843 ( 0.135 0.128 0.177) 0.257 21.846 ( 0.187 -0.093 0.184) 0.278 23.137 ( -0.146 0.735 -0.071) 0.753 23.151 ( -0.131 -0.679 -0.057) 0.694 28.244 ( -0.010 0.592 2.016) 2.101 28.263 ( -0.776 -1.214 1.429) 2.029 28.956 ( 0.033 0.984 0.088) 0.988 28.975 ( 0.203 -0.961 -0.214) 1.005 32.930 ( -1.845 3.657 -0.719) 4.159 32.997 ( -2.333 -2.970 -0.727) 3.847 33.229 ( -3.377 5.131 3.088) 6.875 33.309 ( 0.006 -3.482 2.043) 4.037 33.609 ( -2.181 4.244 1.246) 4.932 33.693 ( -0.921 -4.171 1.202) 4.438 34.276 ( 4.415 1.826 -9.499) 10.633 34.316 ( 3.985 -2.490 -8.052) 9.323 ======================= Grid point 20 (13/96) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 4.179 12.485 8.489) 15.665 1.418 ( -3.002 0.405 1.272) 3.285 1.517 ( 11.956 15.301 3.045) 19.655 1.592 ( 9.955 9.412 -6.352) 15.101 1.770 ( 2.488 -12.402 7.207) 14.558 1.833 ( 13.978 -12.772 -4.647) 19.497 2.056 ( -0.166 -2.443 -2.297) 3.357 2.108 ( 9.027 -4.137 -0.010) 9.930 2.449 ( 11.866 11.521 -0.473) 16.546 2.683 ( 0.964 -4.004 4.000) 5.741 2.835 ( -2.282 -1.571 1.353) 3.083 2.855 ( 1.177 -5.924 -1.663) 6.264 3.042 ( -2.003 2.019 -1.301) 3.127 3.087 ( -5.835 -1.952 2.056) 6.488 3.186 ( -5.052 3.746 0.736) 6.332 3.210 ( -2.153 0.161 1.439) 2.595 3.290 ( 1.736 1.914 3.825) 4.616 3.321 ( -0.103 -1.368 4.226) 4.443 3.418 ( -2.620 7.015 -3.235) 8.157 3.483 ( 0.535 0.548 -0.278) 0.815 3.518 ( -2.369 -1.248 -0.534) 2.730 3.621 ( -3.360 -10.564 0.780) 11.113 3.667 ( 2.043 -0.435 -0.193) 2.098 3.693 ( -0.094 -2.500 -1.041) 2.710 3.722 ( 4.597 2.862 0.025) 5.416 3.780 ( 3.192 -1.564 -0.182) 3.559 3.987 ( 2.285 2.644 -2.493) 4.292 4.032 ( 1.140 0.345 -0.109) 1.196 4.069 ( 0.895 -1.186 1.898) 2.410 4.105 ( -0.023 -3.121 3.063) 4.373 4.246 ( 3.469 0.397 4.812) 5.945 4.264 ( 1.855 -1.240 2.849) 3.618 4.543 ( 1.137 2.889 -3.423) 4.621 4.554 ( -0.284 1.752 -2.188) 2.818 4.872 ( -1.844 2.087 0.235) 2.795 4.935 ( 2.040 -3.784 0.049) 4.300 5.030 ( 1.759 1.169 -2.523) 3.290 5.062 ( -0.843 -2.055 -1.682) 2.786 5.329 ( 0.054 3.217 1.132) 3.411 5.373 ( 0.932 -0.990 -3.523) 3.777 5.554 ( -9.524 14.233 -1.884) 17.229 5.669 ( -4.853 1.345 -2.148) 5.475 5.688 ( -5.551 -0.638 -7.244) 9.149 5.858 ( -4.166 -12.308 -6.297) 14.439 6.290 ( -1.363 0.307 0.095) 1.401 6.300 ( -1.051 -0.920 1.213) 1.850 8.639 ( 1.205 2.914 3.039) 4.380 8.694 ( 2.284 -2.411 3.899) 5.122 10.411 ( -1.089 0.791 1.482) 2.002 10.428 ( -0.807 -0.780 1.769) 2.095 11.122 ( -0.749 0.173 -0.667) 1.018 11.134 ( -1.446 -0.831 -0.863) 1.878 11.355 ( -0.500 0.911 -1.379) 1.727 11.378 ( -0.892 -1.344 -1.433) 2.158 14.572 ( 1.380 1.404 1.762) 2.642 14.608 ( 1.761 -2.295 2.442) 3.786 14.723 ( 1.209 0.888 0.771) 1.687 14.740 ( 1.096 -0.774 0.819) 1.572 14.845 ( -0.752 1.517 0.965) 1.949 14.875 ( -1.285 -1.454 0.931) 2.152 15.039 ( -0.002 2.711 1.628) 3.162 15.081 ( 0.336 -1.474 1.205) 1.934 15.391 ( 3.560 2.769 -1.907) 4.896 15.442 ( 2.958 -2.411 -1.390) 4.062 16.756 ( -0.491 1.324 -1.726) 2.230 16.782 ( -1.040 -1.243 -2.210) 2.741 20.373 ( -0.975 1.279 6.504) 6.700 20.410 ( -1.664 -2.410 9.315) 9.765 21.846 ( 0.012 0.187 0.195) 0.270 21.849 ( 0.020 -0.095 0.285) 0.301 23.132 ( -0.375 0.721 -0.110) 0.820 23.146 ( -0.435 -0.601 -0.217) 0.773 28.244 ( -0.595 0.072 1.292) 1.424 28.252 ( -0.874 -0.794 2.362) 2.640 28.956 ( -0.079 1.079 0.186) 1.098 28.978 ( 0.175 -1.134 -0.302) 1.187 32.879 ( -2.957 3.294 -0.814) 4.500 32.936 ( -3.500 -2.033 -0.730) 4.114 33.192 ( -1.560 5.907 2.128) 6.470 33.291 ( -2.711 -4.237 3.220) 5.973 33.598 ( 1.101 4.589 0.341) 4.732 33.693 ( 0.429 -4.748 1.100) 4.893 34.353 ( 5.524 0.410 -6.040) 8.196 34.369 ( 4.985 -1.334 -10.846) 12.011 ======================= Grid point 21 (14/96) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -7.637 12.631 3.940) 15.277 1.462 ( -1.603 -12.427 1.453) 12.614 1.695 ( 11.293 5.109 4.006) 13.026 1.788 ( 4.686 -0.530 0.147) 4.718 1.869 ( 11.255 10.412 1.238) 15.382 2.038 ( 4.618 -3.981 0.620) 6.129 2.132 ( 10.324 -4.423 -1.561) 11.340 2.250 ( 6.785 -11.378 -0.851) 13.274 2.700 ( 10.097 3.537 2.475) 10.981 2.741 ( 2.658 -0.904 2.855) 4.004 2.805 ( -1.620 2.502 1.328) 3.263 2.872 ( -1.780 -2.201 1.360) 3.141 2.969 ( -4.231 -0.518 -0.565) 4.300 2.998 ( -1.918 -3.893 -3.880) 5.821 3.091 ( -2.798 6.705 -0.497) 7.283 3.173 ( -2.336 -0.351 0.791) 2.491 3.283 ( -2.141 1.926 -1.576) 3.283 3.324 ( -1.450 -1.816 4.750) 5.288 3.445 ( 3.687 2.182 2.029) 4.740 3.464 ( -2.236 -1.244 -0.757) 2.669 3.513 ( 3.910 1.525 -2.604) 4.940 3.600 ( 2.189 -2.767 2.870) 4.548 3.677 ( -0.814 -1.079 0.204) 1.367 3.706 ( 1.726 -3.275 2.050) 4.232 3.836 ( 5.830 2.616 0.596) 6.418 3.859 ( 2.814 2.117 1.284) 3.748 3.978 ( -0.728 3.746 -1.987) 4.302 4.050 ( 0.318 -2.125 -3.367) 3.995 4.091 ( 2.817 -0.565 -3.502) 4.530 4.135 ( 2.973 -3.006 1.445) 4.468 4.278 ( -0.723 2.074 3.838) 4.422 4.332 ( 1.702 -3.435 7.088) 8.058 4.480 ( -3.683 4.389 -3.354) 6.639 4.527 ( -2.097 -0.321 -3.754) 4.313 4.841 ( -2.842 4.917 -0.323) 5.689 4.959 ( -2.227 -5.779 -1.012) 6.276 5.020 ( -1.001 2.191 -1.329) 2.751 5.058 ( 1.776 -1.349 -1.889) 2.923 5.283 ( -4.333 2.010 -2.132) 5.231 5.330 ( -8.045 -2.670 -2.104) 8.734 5.399 ( -1.504 5.096 -2.405) 5.832 5.493 ( -5.429 -3.845 -3.698) 7.611 5.693 ( 1.982 6.701 -1.182) 7.087 5.828 ( -0.049 -6.431 -1.281) 6.557 6.267 ( -1.016 0.973 0.101) 1.411 6.288 ( -0.677 -1.296 1.104) 1.832 8.663 ( 0.508 3.886 2.273) 4.530 8.740 ( 1.436 -3.604 2.785) 4.775 10.395 ( -1.006 0.780 1.153) 1.718 10.415 ( -0.922 -1.199 1.295) 1.991 11.105 ( -0.639 0.573 -0.749) 1.139 11.121 ( -0.064 -1.078 -0.116) 1.086 11.340 ( -0.569 0.724 -1.253) 1.555 11.357 ( -0.814 -0.982 -1.261) 1.794 14.606 ( 1.566 1.723 1.407) 2.720 14.648 ( 1.699 -2.486 1.556) 3.389 14.748 ( 1.145 0.392 0.855) 1.482 14.765 ( 1.069 -1.154 1.456) 2.143 14.850 ( 0.598 1.080 0.585) 1.366 14.869 ( 0.070 -0.929 0.896) 1.293 15.037 ( -0.635 2.799 1.186) 3.106 15.079 ( -0.748 -1.394 0.762) 1.756 15.431 ( 1.508 2.592 -2.029) 3.621 15.474 ( 1.174 -1.683 -1.687) 2.657 16.742 ( -0.398 0.895 -1.285) 1.616 16.758 ( -0.751 -0.626 -1.876) 2.115 20.367 ( -1.398 1.366 4.790) 5.173 20.400 ( -1.758 -1.992 6.230) 6.772 21.845 ( -0.084 0.186 0.126) 0.240 21.848 ( -0.150 -0.078 0.224) 0.281 23.123 ( -0.442 0.651 -0.118) 0.795 23.136 ( -0.482 -0.531 -0.262) 0.763 28.234 ( -0.623 0.334 0.635) 0.950 28.244 ( -0.664 -0.725 1.653) 1.924 28.954 ( -0.156 1.217 0.183) 1.240 28.980 ( 0.103 -1.352 -0.241) 1.377 32.828 ( -2.045 2.083 -0.319) 2.936 32.872 ( -2.857 -2.129 -0.757) 3.642 33.174 ( -1.001 4.841 0.966) 5.037 33.243 ( -2.853 -2.135 2.454) 4.326 33.639 ( 2.606 2.812 -0.045) 3.834 33.710 ( 0.941 -4.148 0.845) 4.336 34.414 ( 3.203 1.489 -4.513) 5.731 34.448 ( 5.096 -1.927 -5.662) 7.857 ======================= Grid point 22 (15/96) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -2.944 13.947 1.265) 14.310 1.412 ( -2.048 -17.890 -0.022) 18.007 1.842 ( 2.545 6.030 2.400) 6.971 1.886 ( 4.053 -0.887 0.445) 4.173 2.059 ( 7.621 4.713 -1.173) 9.037 2.113 ( 2.344 2.104 1.726) 3.592 2.281 ( 4.341 -2.952 0.485) 5.272 2.356 ( 3.765 -9.962 0.532) 10.663 2.713 ( -3.374 6.783 -2.622) 8.017 2.756 ( -2.072 -2.040 0.807) 3.018 2.771 ( -3.176 0.414 0.736) 3.286 2.857 ( 1.438 -2.978 2.146) 3.942 2.965 ( 2.450 -2.312 -1.222) 3.583 2.989 ( 1.925 -3.424 1.883) 4.356 3.077 ( -0.772 0.939 -0.700) 1.402 3.109 ( -4.213 -1.701 -0.021) 4.543 3.265 ( 0.347 2.837 -1.417) 3.190 3.315 ( -0.161 -1.928 1.431) 2.407 3.424 ( -0.903 0.237 -0.560) 1.089 3.477 ( 0.088 -4.645 0.626) 4.688 3.632 ( 5.420 4.614 -0.195) 7.121 3.655 ( 1.204 4.429 0.874) 4.672 3.685 ( 0.989 -0.998 -0.059) 1.406 3.736 ( 0.648 -4.151 1.877) 4.601 3.866 ( -0.448 5.025 0.042) 5.045 3.904 ( 0.442 0.420 0.512) 0.796 4.006 ( 4.025 5.266 -0.228) 6.632 4.071 ( 2.399 0.847 -3.060) 3.979 4.153 ( 4.379 0.261 -3.798) 5.802 4.178 ( 0.492 -0.154 0.549) 0.753 4.234 ( -4.722 2.003 3.294) 6.096 4.319 ( -2.866 -4.645 3.127) 6.290 4.454 ( 0.900 5.831 -1.188) 6.018 4.554 ( 5.825 -3.007 -1.443) 6.713 4.721 ( -5.862 2.902 -0.012) 6.541 4.840 ( -9.316 -6.850 -1.284) 11.634 5.024 ( 0.474 1.470 -0.008) 1.545 5.080 ( 0.503 -3.391 -0.136) 3.431 5.179 ( -3.215 2.083 -1.957) 4.302 5.223 ( -1.671 -2.089 -1.296) 2.972 5.394 ( 0.199 2.913 -0.554) 2.972 5.451 ( -0.340 -2.804 -0.283) 2.839 5.718 ( 0.813 6.535 -0.347) 6.595 5.826 ( 0.001 -4.043 -0.392) 4.061 6.254 ( -0.317 1.411 0.106) 1.450 6.281 ( -0.256 -1.343 0.483) 1.450 8.674 ( 0.114 4.403 0.824) 4.481 8.764 ( 0.504 -4.566 0.987) 4.699 10.384 ( -0.388 0.763 0.436) 0.961 10.405 ( -0.384 -1.317 0.462) 1.447 11.097 ( -0.140 1.106 -0.240) 1.140 11.122 ( 0.050 -1.419 -0.005) 1.420 11.329 ( -0.244 0.641 -0.508) 0.854 11.343 ( -0.337 -0.762 -0.513) 0.979 14.633 ( 0.743 1.887 0.531) 2.096 14.676 ( 0.816 -2.527 0.530) 2.708 14.767 ( 0.533 0.051 0.354) 0.641 14.783 ( 0.419 -1.457 0.766) 1.698 14.861 ( 0.354 0.955 0.161) 1.032 14.875 ( 0.270 -0.638 0.287) 0.750 15.028 ( -0.464 2.532 0.501) 2.623 15.065 ( -0.598 -1.193 0.267) 1.361 15.443 ( 0.359 2.557 -0.893) 2.732 15.483 ( 0.300 -1.470 -0.737) 1.671 16.734 ( -0.154 0.687 -0.481) 0.852 16.744 ( -0.260 -0.291 -0.722) 0.821 20.356 ( -0.634 1.422 1.742) 2.336 20.388 ( -0.737 -1.750 2.108) 2.837 21.844 ( -0.025 0.121 0.036) 0.129 21.846 ( -0.115 -0.022 0.086) 0.145 23.117 ( -0.198 0.605 -0.051) 0.638 23.128 ( -0.204 -0.517 -0.117) 0.568 28.227 ( -0.234 0.502 0.207) 0.591 28.239 ( -0.258 -0.668 0.536) 0.895 28.952 ( -0.077 1.338 0.073) 1.343 28.981 ( 0.036 -1.508 -0.088) 1.511 32.805 ( -0.464 0.629 0.054) 0.784 32.829 ( -1.308 -1.841 -0.427) 2.299 33.162 ( -0.389 4.143 0.263) 4.170 33.210 ( -1.112 -0.617 0.883) 1.548 33.678 ( 1.233 1.447 -0.086) 1.903 33.726 ( 0.380 -3.339 0.360) 3.380 34.448 ( 1.247 2.824 -1.589) 3.472 34.505 ( 1.895 -2.871 -1.686) 3.831 ======================= Grid point 45 (16/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -2.664 0.000 27.395) 27.524 0.580 ( -1.109 0.000 29.338) 29.359 0.962 ( -7.225 0.000 47.252) 47.802 1.114 ( 2.107 0.000 4.115) 4.623 1.682 ( 0.399 0.000 -3.080) 3.106 1.901 ( 1.650 0.000 6.271) 6.484 2.045 ( -2.890 0.000 6.764) 7.355 2.334 ( 0.269 0.000 -1.086) 1.118 2.370 ( 2.353 0.000 6.568) 6.977 2.562 ( 2.441 0.000 0.872) 2.592 2.890 ( -3.595 0.000 -7.405) 8.232 3.002 ( 1.943 0.000 -4.183) 4.612 3.121 ( 3.709 0.000 -3.077) 4.820 3.137 ( -1.672 0.000 -0.467) 1.736 3.199 ( 1.038 0.000 -3.672) 3.816 3.323 ( 5.501 0.000 -3.348) 6.440 3.382 ( 6.161 0.000 -3.452) 7.062 3.396 ( -1.506 0.000 0.589) 1.617 3.407 ( -0.988 0.000 2.366) 2.564 3.473 ( 3.963 0.000 -4.430) 5.944 3.547 ( -1.955 0.000 1.236) 2.313 3.552 ( -3.770 0.000 4.734) 6.052 3.658 ( -1.252 0.000 -0.151) 1.261 3.772 ( -5.583 0.000 2.070) 5.954 3.848 ( 2.403 0.000 3.970) 4.641 3.857 ( 2.301 0.000 0.486) 2.352 3.955 ( 12.776 0.000 3.321) 13.201 4.048 ( 3.753 0.000 4.653) 5.978 4.090 ( 8.626 0.000 4.109) 9.555 4.158 ( 2.701 0.000 -2.760) 3.862 4.236 ( 2.900 0.000 1.262) 3.163 4.387 ( 4.516 0.000 1.221) 4.678 4.398 ( -5.853 0.000 1.641) 6.078 4.600 ( 4.562 0.000 1.799) 4.904 4.795 ( 1.315 0.000 -2.275) 2.627 4.870 ( -3.516 0.000 -0.921) 3.635 4.931 ( 2.360 0.000 -0.199) 2.368 4.938 ( 0.706 0.000 -1.051) 1.267 5.019 ( 0.873 0.000 -1.670) 1.884 5.232 ( 0.542 0.000 -2.245) 2.309 5.338 ( -0.058 0.000 -6.156) 6.156 5.765 ( -2.523 0.000 -5.645) 6.183 5.783 ( -1.649 0.000 -2.637) 3.110 6.107 ( -24.886 0.000 -13.961) 28.534 6.381 ( -1.246 0.000 4.988) 5.141 6.537 ( -20.925 0.000 5.515) 21.640 8.572 ( -1.444 0.000 0.370) 1.491 8.618 ( 2.231 0.000 -0.435) 2.273 10.427 ( 0.908 0.000 1.804) 2.019 10.444 ( 1.516 0.000 2.066) 2.563 11.130 ( -0.061 0.000 -0.523) 0.527 11.212 ( -1.318 0.000 -2.021) 2.412 11.345 ( 1.629 0.000 0.833) 1.829 11.439 ( -0.565 0.000 -0.269) 0.625 14.522 ( 0.528 0.000 -1.563) 1.650 14.551 ( 1.702 0.000 -4.490) 4.801 14.744 ( 1.175 0.000 2.472) 2.737 14.812 ( -0.168 0.000 1.000) 1.014 14.885 ( -0.122 0.000 -0.205) 0.238 14.940 ( 4.416 0.000 0.088) 4.417 15.064 ( 2.483 0.000 1.609) 2.959 15.190 ( -2.534 0.000 2.010) 3.234 15.218 ( -8.498 0.000 -0.844) 8.540 15.303 ( 10.368 0.000 -3.004) 10.794 16.770 ( 3.376 0.000 3.000) 4.516 16.841 ( -1.693 0.000 -1.847) 2.506 20.469 ( 1.761 0.000 9.267) 9.433 21.426 ( 32.478 0.000 -3.949) 32.717 21.840 ( 0.325 0.000 0.108) 0.342 21.844 ( -0.049 0.000 -0.024) 0.054 23.133 ( 0.900 0.000 1.016) 1.357 23.169 ( -0.505 0.000 0.201) 0.543 28.301 ( -0.406 0.000 1.970) 2.011 28.608 ( 22.879 0.000 -1.652) 22.939 28.940 ( 1.557 0.000 0.640) 1.683 28.989 ( -0.711 0.000 -0.331) 0.784 32.796 ( 1.347 0.000 0.468) 1.426 32.858 ( -0.778 0.000 -0.285) 0.829 33.104 ( -2.869 0.000 1.397) 3.191 33.391 ( 0.207 0.000 2.520) 2.529 33.410 ( -33.774 0.000 -2.515) 33.867 33.574 ( -7.466 0.000 1.107) 7.548 33.803 ( 1.272 0.000 1.177) 1.733 34.374 ( -9.727 0.000 -5.854) 11.353 ======================= Grid point 46 (17/96) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 16.746 0.000 16.694) 23.646 0.738 ( 12.824 0.000 18.501) 22.511 1.243 ( 9.359 0.000 6.174) 11.212 1.363 ( 23.114 0.000 32.204) 39.641 1.583 ( -7.554 0.000 -1.550) 7.711 2.041 ( 0.847 0.000 4.078) 4.165 2.070 ( 11.606 0.000 6.859) 13.481 2.373 ( 3.956 0.000 -1.025) 4.087 2.435 ( 0.396 0.000 8.795) 8.803 2.634 ( 3.979 0.000 1.289) 4.183 2.701 ( -7.145 0.000 -9.534) 11.914 3.010 ( -4.392 0.000 -5.067) 6.706 3.066 ( -3.316 0.000 0.315) 3.331 3.201 ( -7.422 0.000 -5.553) 9.269 3.213 ( 3.363 0.000 0.175) 3.368 3.257 ( 1.319 0.000 0.498) 1.410 3.325 ( -4.241 0.000 -2.205) 4.780 3.362 ( -2.358 0.000 1.044) 2.579 3.376 ( -2.325 0.000 -0.816) 2.464 3.502 ( -1.236 0.000 4.402) 4.572 3.567 ( 3.925 0.000 4.233) 5.773 3.608 ( 3.745 0.000 0.675) 3.806 3.678 ( 2.287 0.000 -0.025) 2.287 3.691 ( -3.121 0.000 -0.390) 3.145 3.903 ( 3.040 0.000 -0.701) 3.119 3.907 ( 1.316 0.000 5.013) 5.183 3.998 ( -4.523 0.000 5.593) 7.193 4.120 ( 1.954 0.000 2.745) 3.369 4.200 ( 3.399 0.000 -4.117) 5.339 4.204 ( 0.809 0.000 0.723) 1.084 4.294 ( 1.960 0.000 1.633) 2.551 4.327 ( -0.281 0.000 -2.334) 2.351 4.402 ( -4.586 0.000 3.454) 5.741 4.618 ( -6.747 0.000 5.206) 8.522 4.791 ( 1.226 0.000 -4.002) 4.186 4.900 ( 4.825 0.000 -2.486) 5.428 4.930 ( 0.326 0.000 -1.038) 1.088 5.037 ( 0.815 0.000 -1.814) 1.989 5.161 ( 10.850 0.000 -9.225) 14.242 5.188 ( -2.164 0.000 -2.003) 2.948 5.351 ( 2.135 0.000 -5.109) 5.537 5.564 ( -10.064 0.000 -8.972) 13.482 5.658 ( -5.742 0.000 -8.487) 10.247 5.847 ( 2.091 0.000 -3.664) 4.219 6.360 ( -2.693 0.000 4.981) 5.662 6.418 ( -1.927 0.000 7.547) 7.789 8.585 ( 1.730 0.000 -0.682) 1.860 8.682 ( 4.276 0.000 1.212) 4.444 10.441 ( -0.175 0.000 2.290) 2.297 10.476 ( 0.869 0.000 2.594) 2.735 11.132 ( 0.558 0.000 -0.557) 0.788 11.162 ( -2.861 0.000 -2.638) 3.891 11.354 ( -0.618 0.000 -0.436) 0.756 11.421 ( -1.194 0.000 -0.507) 1.297 14.530 ( 0.774 0.000 -1.634) 1.808 14.581 ( 2.830 0.000 -4.442) 5.267 14.787 ( 2.347 0.000 3.538) 4.246 14.814 ( 0.020 0.000 1.010) 1.010 14.857 ( -4.004 0.000 0.953) 4.116 14.905 ( -2.698 0.000 0.283) 2.713 15.052 ( -2.935 0.000 3.611) 4.654 15.112 ( -1.573 0.000 3.718) 4.037 15.222 ( 3.735 0.000 -0.201) 3.741 15.407 ( 2.877 0.000 -6.909) 7.483 16.795 ( -2.234 0.000 -2.569) 3.405 16.805 ( -1.070 0.000 5.189) 5.298 20.511 ( -0.822 0.000 10.228) 10.261 21.220 ( -27.274 0.000 11.361) 29.545 21.843 ( -0.064 0.000 -0.059) 0.087 21.853 ( 0.344 0.000 0.352) 0.492 23.150 ( -0.199 0.000 1.990) 2.000 23.158 ( -0.620 0.000 -0.075) 0.625 28.287 ( -1.580 0.000 1.413) 2.120 28.591 ( -11.350 0.000 4.645) 12.264 28.971 ( -0.210 0.000 2.479) 2.488 28.981 ( 0.044 0.000 -0.853) 0.854 32.825 ( 1.337 0.000 1.910) 2.331 32.845 ( -0.242 0.000 -1.168) 1.193 33.053 ( -2.441 0.000 -0.700) 2.539 33.438 ( 3.452 0.000 2.985) 4.564 33.445 ( 14.687 0.000 -9.433) 17.455 33.618 ( 11.721 0.000 -6.000) 13.168 33.831 ( 1.023 0.000 2.645) 2.836 34.280 ( -0.550 0.000 -6.512) 6.535 ======================= Grid point 47 (18/96) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 14.557 0.000 8.257) 16.736 1.114 ( 9.820 0.000 1.160) 9.888 1.413 ( 3.600 0.000 6.545) 7.470 1.478 ( 13.004 0.000 6.118) 14.371 1.964 ( 24.815 0.000 14.416) 28.699 2.094 ( 3.120 0.000 1.700) 3.553 2.301 ( 9.105 0.000 6.562) 11.223 2.387 ( -5.788 0.000 8.025) 9.895 2.472 ( 6.832 0.000 0.348) 6.841 2.618 ( -3.098 0.000 -8.574) 9.116 2.682 ( 2.078 0.000 -1.837) 2.774 2.870 ( -4.468 0.000 -1.718) 4.787 3.000 ( -6.280 0.000 3.957) 7.423 3.096 ( 2.865 0.000 -2.581) 3.856 3.163 ( -5.927 0.000 -0.220) 5.931 3.264 ( -1.940 0.000 0.703) 2.063 3.267 ( -1.869 0.000 0.737) 2.009 3.419 ( 0.923 0.000 2.683) 2.837 3.424 ( 8.545 0.000 -1.704) 8.713 3.468 ( -1.775 0.000 3.765) 4.163 3.551 ( -4.928 0.000 1.324) 5.103 3.608 ( -3.368 0.000 -0.033) 3.368 3.722 ( 0.266 0.000 2.186) 2.202 3.747 ( 7.073 0.000 5.369) 8.880 3.897 ( -4.838 0.000 1.394) 5.035 3.906 ( -3.456 0.000 4.630) 5.778 3.976 ( 4.448 0.000 -2.072) 4.907 4.096 ( -2.076 0.000 -4.109) 4.604 4.214 ( -6.606 0.000 -0.373) 6.616 4.242 ( 0.709 0.000 3.946) 4.009 4.259 ( -1.354 0.000 0.993) 1.679 4.314 ( -1.550 0.000 -2.634) 3.056 4.370 ( 0.923 0.000 3.883) 3.992 4.549 ( -0.969 0.000 10.043) 10.090 4.842 ( 4.146 0.000 -5.247) 6.688 4.898 ( -4.119 0.000 1.150) 4.276 4.947 ( 1.204 0.000 -4.414) 4.576 5.047 ( 2.271 0.000 -1.985) 3.016 5.191 ( 2.035 0.000 -0.588) 2.118 5.221 ( 1.625 0.000 -4.105) 4.415 5.375 ( 2.374 0.000 -5.670) 6.147 5.437 ( -3.851 0.000 -13.296) 13.842 5.538 ( -3.523 0.000 -6.431) 7.333 5.880 ( 1.525 0.000 -6.388) 6.567 6.314 ( -3.419 0.000 4.005) 5.266 6.415 ( -1.157 0.000 5.041) 5.172 8.605 ( 0.340 0.000 -0.734) 0.809 8.773 ( 4.447 0.000 1.707) 4.763 10.433 ( -1.301 0.000 1.806) 2.226 10.485 ( -0.696 0.000 1.588) 1.734 11.104 ( -2.187 0.000 -1.881) 2.884 11.144 ( 0.782 0.000 -0.360) 0.861 11.336 ( -0.912 0.000 0.070) 0.914 11.395 ( -1.353 0.000 -0.327) 1.392 14.540 ( 0.862 0.000 -2.295) 2.452 14.624 ( 3.183 0.000 -5.328) 6.206 14.788 ( -2.573 0.000 1.861) 3.175 14.818 ( 0.187 0.000 0.656) 0.682 14.846 ( 2.301 0.000 4.184) 4.775 14.890 ( 0.299 0.000 -0.622) 0.690 15.014 ( -2.246 0.000 4.298) 4.850 15.106 ( -0.889 0.000 1.625) 1.852 15.283 ( 2.836 0.000 -1.790) 3.354 15.429 ( 1.974 0.000 -4.705) 5.103 16.751 ( -1.429 0.000 -1.983) 2.445 16.787 ( -2.081 0.000 4.901) 5.325 20.498 ( -3.527 0.000 8.533) 9.233 20.838 ( -17.148 0.000 10.965) 20.354 21.841 ( -0.058 0.000 -0.054) 0.079 21.856 ( -0.104 0.000 0.308) 0.325 23.144 ( -0.935 0.000 2.072) 2.273 23.147 ( -0.443 0.000 0.005) 0.443 28.257 ( -1.801 0.000 0.556) 1.884 28.428 ( -7.360 0.000 4.917) 8.852 28.966 ( -0.940 0.000 2.158) 2.354 28.985 ( 0.658 0.000 -0.936) 1.144 32.840 ( 0.245 0.000 -1.831) 1.848 32.853 ( 0.600 0.000 3.481) 3.532 33.010 ( -1.650 0.000 -2.265) 2.802 33.449 ( -5.450 0.000 3.224) 6.332 33.526 ( 4.633 0.000 2.912) 5.472 33.858 ( 0.734 0.000 3.893) 3.961 33.950 ( 19.062 0.000 -19.207) 27.061 34.296 ( 4.345 0.000 -6.087) 7.479 ======================= Grid point 48 (19/96) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -8.444 0.000 4.464) 9.551 1.304 ( 10.737 0.000 0.634) 10.756 1.737 ( 11.721 0.000 3.075) 12.118 1.748 ( 18.294 0.000 7.160) 19.645 2.145 ( 2.367 0.000 0.608) 2.444 2.249 ( 4.065 0.000 -2.638) 4.846 2.354 ( -1.939 0.000 11.198) 11.364 2.432 ( 3.097 0.000 1.108) 3.289 2.476 ( -6.283 0.000 -4.114) 7.510 2.670 ( 11.551 0.000 1.401) 11.636 2.761 ( 7.460 0.000 -2.837) 7.981 2.869 ( 2.109 0.000 -3.703) 4.261 2.981 ( 4.670 0.000 6.030) 7.627 3.031 ( -7.612 0.000 1.467) 7.753 3.201 ( 4.264 0.000 -0.085) 4.265 3.230 ( 0.168 0.000 2.189) 2.196 3.259 ( -0.500 0.000 1.573) 1.651 3.357 ( -2.206 0.000 -0.146) 2.211 3.434 ( -4.153 0.000 -1.238) 4.333 3.477 ( -6.022 0.000 -0.021) 6.022 3.543 ( 0.915 0.000 9.955) 9.997 3.631 ( 8.960 0.000 1.313) 9.056 3.697 ( -2.307 0.000 0.933) 2.489 3.800 ( -6.868 0.000 2.740) 7.394 3.814 ( -5.268 0.000 0.040) 5.268 3.901 ( 3.865 0.000 6.113) 7.232 4.020 ( -1.368 0.000 -3.841) 4.078 4.047 ( -0.468 0.000 -5.131) 5.152 4.083 ( -2.261 0.000 3.055) 3.801 4.206 ( -5.397 0.000 -3.097) 6.223 4.265 ( -2.358 0.000 2.110) 3.164 4.275 ( 1.350 0.000 1.916) 2.344 4.397 ( 0.042 0.000 1.981) 1.981 4.630 ( 4.955 0.000 9.111) 10.371 4.791 ( -6.059 0.000 2.090) 6.409 4.860 ( 0.514 0.000 -1.589) 1.670 5.011 ( 5.851 0.000 -5.101) 7.762 5.079 ( 1.492 0.000 -2.304) 2.745 5.225 ( 1.781 0.000 -1.441) 2.291 5.231 ( -0.291 0.000 -6.720) 6.726 5.301 ( -6.140 0.000 -6.445) 8.902 5.409 ( 3.252 0.000 -6.924) 7.650 5.506 ( 1.045 0.000 -1.071) 1.497 5.865 ( -0.724 0.000 -3.922) 3.988 6.268 ( -2.395 0.000 3.098) 3.916 6.399 ( -2.056 0.000 4.650) 5.084 8.593 ( -1.074 0.000 -1.371) 1.742 8.843 ( 2.371 0.000 0.294) 2.389 10.408 ( -1.712 0.000 0.912) 1.939 10.463 ( -1.610 0.000 -0.039) 1.611 11.075 ( -0.588 0.000 -0.452) 0.741 11.155 ( 0.387 0.000 -0.300) 0.490 11.327 ( -0.216 0.000 1.121) 1.142 11.374 ( -0.746 0.000 0.409) 0.851 14.548 ( 0.895 0.000 -3.400) 3.516 14.661 ( 2.533 0.000 -6.695) 7.158 14.768 ( -0.382 0.000 1.005) 1.075 14.823 ( 0.128 0.000 0.547) 0.562 14.889 ( 0.797 0.000 3.235) 3.332 14.905 ( 1.401 0.000 -0.602) 1.525 14.987 ( -2.117 0.000 3.369) 3.979 15.080 ( -1.878 0.000 -0.227) 1.891 15.323 ( 2.269 0.000 -1.535) 2.739 15.456 ( 1.884 0.000 -2.559) 3.177 16.735 ( 0.135 0.000 -0.269) 0.301 16.766 ( -1.552 0.000 3.992) 4.283 20.438 ( -4.764 0.000 5.255) 7.093 20.612 ( -10.243 0.000 5.262) 11.516 21.840 ( -0.041 0.000 -0.028) 0.050 21.852 ( -0.339 0.000 0.120) 0.359 23.131 ( -0.991 0.000 1.775) 2.033 23.142 ( -0.151 0.000 0.365) 0.395 28.229 ( -1.129 0.000 0.009) 1.129 28.333 ( -4.299 0.000 2.621) 5.035 28.951 ( -1.145 0.000 1.378) 1.791 28.997 ( 0.829 0.000 -0.741) 1.112 32.845 ( 1.023 0.000 -2.407) 2.615 32.861 ( -1.187 0.000 3.237) 3.448 32.986 ( 0.144 0.000 -1.792) 1.797 33.337 ( -7.009 0.000 3.965) 8.053 33.618 ( 3.965 0.000 2.590) 4.736 33.877 ( -0.254 0.000 4.411) 4.419 34.166 ( 10.008 0.000 -13.671) 16.943 34.400 ( 7.745 0.000 -4.970) 9.203 ======================= Grid point 49 (20/96) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -5.000 0.000 6.038) 7.840 1.458 ( 6.267 0.000 -3.219) 7.045 1.879 ( 2.548 0.000 -0.104) 2.550 2.008 ( 5.211 0.000 10.870) 12.055 2.204 ( -0.930 0.000 0.962) 1.338 2.282 ( 1.869 0.000 0.657) 1.981 2.293 ( -1.392 0.000 4.294) 4.514 2.452 ( 0.741 0.000 -3.149) 3.235 2.454 ( 0.214 0.000 8.692) 8.695 2.782 ( 2.558 0.000 -9.388) 9.730 2.881 ( 0.516 0.000 -5.065) 5.091 2.912 ( 7.940 0.000 -3.018) 8.495 2.914 ( -4.141 0.000 1.505) 4.405 3.079 ( 1.695 0.000 -3.906) 4.258 3.148 ( -4.729 0.000 1.591) 4.989 3.236 ( -0.863 0.000 -2.624) 2.762 3.310 ( -3.551 0.000 -0.609) 3.603 3.332 ( 2.441 0.000 0.915) 2.607 3.431 ( 2.977 0.000 2.470) 3.868 3.468 ( 6.152 0.000 4.882) 7.854 3.558 ( -2.855 0.000 6.444) 7.048 3.603 ( -6.200 0.000 -2.304) 6.614 3.669 ( -6.687 0.000 3.045) 7.348 3.711 ( -0.335 0.000 4.457) 4.469 3.832 ( 3.506 0.000 6.833) 7.680 3.904 ( -1.483 0.000 -0.785) 1.678 3.974 ( -1.945 0.000 0.153) 1.950 4.073 ( -0.509 0.000 -1.042) 1.159 4.076 ( -4.664 0.000 -4.530) 6.502 4.111 ( 4.631 0.000 0.352) 4.644 4.240 ( -0.528 0.000 4.483) 4.514 4.303 ( -1.023 0.000 7.894) 7.960 4.377 ( -0.292 0.000 -3.696) 3.708 4.598 ( -6.577 0.000 3.314) 7.364 4.880 ( 1.433 0.000 0.049) 1.433 4.904 ( 12.659 0.000 3.697) 13.188 5.058 ( 0.641 0.000 -2.285) 2.373 5.065 ( -10.564 0.000 -6.001) 12.150 5.120 ( 3.200 0.000 -3.803) 4.970 5.254 ( 1.740 0.000 -0.990) 2.002 5.281 ( 2.497 0.000 -0.828) 2.630 5.446 ( 2.550 0.000 -5.915) 6.441 5.542 ( 2.144 0.000 1.299) 2.507 5.852 ( 0.620 0.000 -1.671) 1.782 6.247 ( -0.738 0.000 3.017) 3.106 6.372 ( -2.114 0.000 4.368) 4.852 8.563 ( -1.279 0.000 -2.288) 2.621 8.856 ( -0.728 0.000 -2.360) 2.469 10.380 ( -1.258 0.000 0.020) 1.258 10.433 ( -1.187 0.000 -1.235) 1.713 11.076 ( 0.509 0.000 0.753) 0.909 11.156 ( -0.091 0.000 -0.473) 0.481 11.334 ( 0.410 0.000 2.202) 2.240 11.372 ( 0.247 0.000 1.440) 1.461 14.549 ( 0.369 0.000 -4.317) 4.333 14.673 ( 1.127 0.000 -7.964) 8.044 14.764 ( -0.564 0.000 0.084) 0.570 14.825 ( -0.131 0.000 0.381) 0.403 14.892 ( -1.238 0.000 1.553) 1.986 14.930 ( 0.926 0.000 -0.453) 1.031 14.952 ( -2.261 0.000 1.032) 2.485 15.051 ( -0.403 0.000 -0.858) 0.948 15.364 ( 2.220 0.000 0.601) 2.300 15.479 ( 1.191 0.000 -1.236) 1.716 16.752 ( 1.299 0.000 1.716) 2.152 16.756 ( -0.700 0.000 3.727) 3.793 20.364 ( -3.957 0.000 2.019) 4.443 20.470 ( -6.158 0.000 0.825) 6.213 21.840 ( 0.001 0.000 -0.004) 0.005 21.846 ( -0.305 0.000 -0.048) 0.309 23.120 ( -0.632 0.000 1.568) 1.690 23.144 ( 0.116 0.000 0.764) 0.773 28.216 ( -0.204 0.000 -0.023) 0.206 28.276 ( -2.512 0.000 0.792) 2.634 28.935 ( -0.883 0.000 0.703) 1.129 29.010 ( 0.683 0.000 -0.421) 0.803 32.830 ( -2.275 0.000 0.438) 2.317 32.865 ( 1.844 0.000 -2.559) 3.154 33.008 ( 2.024 0.000 1.459) 2.495 33.228 ( -5.251 0.000 2.868) 5.983 33.682 ( 1.868 0.000 2.403) 3.044 33.869 ( -2.029 0.000 3.733) 4.249 34.276 ( 5.813 0.000 -8.093) 9.965 34.519 ( 5.831 0.000 -3.810) 6.965 ======================= Grid point 50 (21/96) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 1.072 0.000 4.724) 4.844 1.500 ( -2.547 0.000 -0.358) 2.572 1.890 ( 1.048 0.000 -1.450) 1.789 1.956 ( -14.576 0.000 6.054) 15.783 2.029 ( -13.265 0.000 -1.634) 13.366 2.331 ( 3.206 0.000 0.836) 3.314 2.393 ( 4.122 0.000 6.769) 7.925 2.466 ( -0.626 0.000 9.195) 9.216 2.485 ( 3.066 0.000 -0.417) 3.094 2.724 ( -3.783 0.000 -8.663) 9.453 2.816 ( -3.344 0.000 -8.884) 9.493 2.958 ( 5.778 0.000 4.547) 7.353 2.967 ( -3.087 0.000 -3.047) 4.337 3.089 ( 2.370 0.000 -2.512) 3.454 3.141 ( 3.545 0.000 1.140) 3.724 3.190 ( -1.415 0.000 -7.503) 7.635 3.276 ( -1.969 0.000 2.441) 3.136 3.300 ( -7.419 0.000 3.768) 8.321 3.463 ( -8.771 0.000 5.280) 10.238 3.477 ( -0.595 0.000 5.751) 5.782 3.515 ( 2.180 0.000 -5.546) 5.959 3.573 ( -5.220 0.000 4.266) 6.742 3.596 ( 4.787 0.000 -0.564) 4.820 3.715 ( -0.852 0.000 1.683) 1.886 3.816 ( -3.775 0.000 4.663) 5.999 3.907 ( 0.666 0.000 0.651) 0.932 3.957 ( -1.993 0.000 1.918) 2.766 4.020 ( -0.447 0.000 -4.337) 4.360 4.095 ( 4.607 0.000 -2.712) 5.346 4.141 ( 0.656 0.000 0.025) 0.656 4.260 ( -4.246 0.000 0.348) 4.260 4.334 ( 7.239 0.000 6.239) 9.556 4.423 ( 3.617 0.000 1.216) 3.816 4.515 ( -3.822 0.000 2.579) 4.611 4.842 ( -7.867 0.000 1.829) 8.077 4.899 ( 0.411 0.000 1.172) 1.242 5.058 ( 0.197 0.000 -1.708) 1.719 5.105 ( 4.428 0.000 -8.934) 9.971 5.134 ( -0.734 0.000 -3.434) 3.512 5.273 ( 0.216 0.000 -2.042) 2.054 5.443 ( 14.581 0.000 8.811) 17.037 5.466 ( 1.137 0.000 -3.406) 3.591 5.585 ( 1.878 0.000 2.553) 3.170 5.885 ( 3.592 0.000 -0.722) 3.664 6.259 ( 0.878 0.000 3.888) 3.986 6.352 ( -1.255 0.000 3.581) 3.795 8.537 ( -0.596 0.000 -2.680) 2.745 8.806 ( -3.153 0.000 -4.578) 5.559 10.364 ( -0.376 0.000 -0.718) 0.810 10.414 ( -0.393 0.000 -1.914) 1.954 11.096 ( 1.278 0.000 1.534) 1.997 11.151 ( -0.292 0.000 -0.608) 0.674 11.352 ( 0.580 0.000 2.619) 2.682 11.389 ( 0.917 0.000 2.078) 2.272 14.534 ( -0.406 0.000 -4.525) 4.543 14.655 ( -0.330 0.000 -8.595) 8.602 14.740 ( -1.868 0.000 -1.188) 2.214 14.819 ( -0.655 0.000 -0.088) 0.660 14.855 ( -2.512 0.000 0.007) 2.512 14.919 ( -1.265 0.000 -0.072) 1.267 14.928 ( -0.668 0.000 -0.557) 0.870 15.070 ( 2.046 0.000 0.151) 2.052 15.403 ( 1.082 0.000 2.259) 2.504 15.491 ( 0.388 0.000 -1.037) 1.107 16.762 ( -0.080 0.000 3.942) 3.943 16.788 ( 1.623 0.000 2.944) 3.362 20.312 ( -1.780 0.000 0.109) 1.783 20.378 ( -3.549 0.000 -2.179) 4.165 21.840 ( 0.058 0.000 0.018) 0.061 21.841 ( -0.145 0.000 -0.206) 0.252 23.118 ( -0.162 0.000 1.463) 1.472 23.151 ( 0.314 0.000 1.034) 1.080 28.220 ( 0.578 0.000 0.318) 0.660 28.240 ( -1.416 0.000 -0.664) 1.564 28.924 ( -0.357 0.000 0.250) 0.436 29.019 ( 0.376 0.000 -0.010) 0.376 32.791 ( -1.610 0.000 -1.034) 1.913 32.892 ( 1.457 0.000 -1.558) 2.133 33.061 ( 2.488 0.000 3.686) 4.447 33.172 ( -0.883 0.000 0.493) 1.011 33.697 ( -1.346 0.000 2.941) 3.234 33.825 ( -3.167 0.000 1.507) 3.507 34.339 ( 3.050 0.000 -5.607) 6.383 34.592 ( 2.990 0.000 -0.835) 3.104 ======================= Grid point 51 (22/96) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 9.475 0.000 1.810) 9.646 1.344 ( -13.591 0.000 4.035) 14.178 1.557 ( -25.623 0.000 -2.916) 25.789 1.698 ( -18.707 0.000 0.368) 18.711 1.996 ( 8.022 0.000 -2.659) 8.451 2.358 ( -6.896 0.000 12.035) 13.871 2.369 ( -1.949 0.000 2.257) 2.982 2.485 ( -7.594 0.000 5.785) 9.547 2.610 ( 9.882 0.000 2.750) 10.258 2.618 ( -4.051 0.000 -6.492) 7.652 2.737 ( -1.132 0.000 -7.951) 8.031 2.834 ( -17.065 0.000 7.161) 18.507 2.998 ( -8.830 0.000 7.483) 11.575 3.047 ( 1.560 0.000 -5.146) 5.378 3.156 ( 2.927 0.000 -1.053) 3.110 3.198 ( 3.152 0.000 -2.832) 4.238 3.219 ( 1.021 0.000 -0.642) 1.206 3.251 ( 1.454 0.000 3.612) 3.894 3.446 ( 4.056 0.000 0.135) 4.058 3.470 ( -1.479 0.000 2.298) 2.733 3.525 ( 0.610 0.000 3.978) 4.024 3.598 ( 5.562 0.000 -5.652) 7.930 3.603 ( -5.662 0.000 -0.005) 5.662 3.707 ( 2.481 0.000 2.285) 3.373 3.832 ( 3.694 0.000 -2.926) 4.713 3.866 ( -5.157 0.000 0.348) 5.169 3.903 ( -3.293 0.000 2.587) 4.188 4.011 ( 1.235 0.000 -4.155) 4.335 4.131 ( -7.167 0.000 -3.351) 7.912 4.198 ( 3.559 0.000 2.547) 4.376 4.217 ( 6.862 0.000 -3.525) 7.714 4.429 ( -4.816 0.000 4.102) 6.326 4.458 ( -1.888 0.000 3.224) 3.736 4.471 ( 4.150 0.000 4.666) 6.244 4.812 ( 2.231 0.000 2.631) 3.449 4.920 ( 1.702 0.000 1.987) 2.616 5.053 ( -0.253 0.000 -1.557) 1.578 5.075 ( -3.647 0.000 -4.288) 5.629 5.102 ( -0.189 0.000 -9.277) 9.279 5.242 ( -2.631 0.000 -2.554) 3.667 5.460 ( -0.921 0.000 -2.563) 2.723 5.636 ( 2.782 0.000 3.367) 4.368 5.716 ( 7.604 0.000 6.345) 9.903 6.040 ( 14.433 0.000 2.833) 14.709 6.301 ( 1.897 0.000 5.018) 5.365 6.352 ( 0.645 0.000 2.615) 2.693 8.528 ( 0.408 0.000 -1.754) 1.801 8.722 ( -3.821 0.000 -5.179) 6.436 10.362 ( 0.499 0.000 -1.013) 1.129 10.405 ( 0.045 0.000 -2.070) 2.070 11.133 ( 2.075 0.000 1.770) 2.728 11.143 ( -0.345 0.000 -0.698) 0.778 11.368 ( 0.288 0.000 2.037) 2.057 11.414 ( 0.972 0.000 1.906) 2.139 14.511 ( -0.486 0.000 -3.850) 3.880 14.614 ( -1.059 0.000 -8.206) 8.275 14.693 ( -2.424 0.000 -2.042) 3.170 14.786 ( -2.293 0.000 -1.198) 2.588 14.827 ( -0.710 0.000 0.909) 1.154 14.905 ( 0.005 0.000 -0.595) 0.595 14.912 ( -0.843 0.000 -0.246) 0.878 15.108 ( 1.464 0.000 0.960) 1.751 15.409 ( -1.398 0.000 2.696) 3.037 15.486 ( -0.480 0.000 -1.749) 1.813 16.773 ( -0.102 0.000 3.826) 3.828 16.827 ( 1.440 0.000 2.891) 3.230 20.302 ( 0.606 0.000 0.241) 0.652 20.318 ( -2.065 0.000 -3.045) 3.679 21.839 ( -0.055 0.000 -0.307) 0.312 21.842 ( 0.089 0.000 0.039) 0.097 23.122 ( 0.114 0.000 1.387) 1.391 23.161 ( 0.379 0.000 1.113) 1.176 28.216 ( -0.769 0.000 -1.742) 1.904 28.238 ( 1.111 0.000 0.837) 1.391 28.922 ( 0.084 0.000 0.054) 0.100 29.023 ( -0.050 0.000 0.418) 0.421 32.767 ( -0.484 0.000 -1.387) 1.469 32.901 ( -0.328 0.000 0.169) 0.369 33.116 ( 1.698 0.000 4.893) 5.179 33.207 ( 4.694 0.000 -2.363) 5.256 33.641 ( -5.604 0.000 3.698) 6.715 33.778 ( -1.521 0.000 -1.175) 1.922 34.349 ( -0.317 0.000 -5.627) 5.635 34.644 ( 2.667 0.000 3.014) 4.025 ======================= Grid point 52 (23/96) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -24.428 0.000 -6.596) 25.303 1.047 ( -19.764 0.000 9.432) 21.899 1.316 ( 11.379 0.000 5.205) 12.513 1.362 ( -15.483 0.000 0.036) 15.483 2.053 ( -34.837 0.000 21.975) 41.189 2.123 ( 1.934 0.000 6.243) 6.536 2.278 ( -12.860 0.000 3.767) 13.400 2.291 ( -1.406 0.000 5.688) 5.859 2.534 ( -9.988 0.000 -2.817) 10.377 2.572 ( -1.835 0.000 -4.629) 4.979 2.675 ( 2.199 0.000 -6.331) 6.702 2.866 ( 11.442 0.000 2.023) 11.620 2.984 ( 1.404 0.000 4.199) 4.427 3.055 ( 2.681 0.000 -9.132) 9.517 3.204 ( 2.579 0.000 -1.860) 3.180 3.220 ( 3.059 0.000 -3.470) 4.626 3.261 ( 2.624 0.000 0.302) 2.641 3.360 ( 3.892 0.000 3.986) 5.571 3.447 ( -0.639 0.000 -2.005) 2.104 3.465 ( -6.564 0.000 -0.178) 6.567 3.526 ( 3.307 0.000 -1.019) 3.460 3.595 ( 3.963 0.000 5.104) 6.462 3.618 ( -2.153 0.000 -3.921) 4.473 3.760 ( -1.266 0.000 6.169) 6.298 3.818 ( 2.088 0.000 1.787) 2.748 3.864 ( 1.185 0.000 -0.502) 1.287 3.902 ( 1.425 0.000 -2.080) 2.522 3.979 ( -4.700 0.000 -5.228) 7.030 4.017 ( -0.280 0.000 -2.917) 2.930 4.237 ( -0.836 0.000 1.472) 1.692 4.273 ( -4.031 0.000 -0.461) 4.057 4.401 ( 2.802 0.000 3.343) 4.361 4.439 ( -0.129 0.000 4.102) 4.104 4.506 ( -1.120 0.000 4.477) 4.615 4.861 ( 1.897 0.000 -0.422) 1.944 4.908 ( -4.746 0.000 -1.113) 4.875 5.018 ( -1.484 0.000 -3.116) 3.451 5.061 ( -1.424 0.000 -7.088) 7.229 5.072 ( 4.297 0.000 -1.578) 4.578 5.161 ( -5.355 0.000 -0.531) 5.381 5.424 ( -1.486 0.000 -4.182) 4.438 5.710 ( 3.882 0.000 2.074) 4.401 5.791 ( 1.139 0.000 1.184) 1.643 6.281 ( 3.824 0.000 1.412) 4.076 6.350 ( 1.377 0.000 5.216) 5.395 6.491 ( 16.758 0.000 4.816) 17.436 8.545 ( 1.591 0.000 1.272) 2.037 8.644 ( -2.651 0.000 -4.165) 4.938 10.375 ( 1.135 0.000 -0.526) 1.251 10.403 ( 0.392 0.000 -1.314) 1.371 11.134 ( -0.286 0.000 -0.724) 0.778 11.181 ( 2.346 0.000 1.115) 2.598 11.370 ( -0.660 0.000 0.375) 0.759 11.434 ( 0.620 0.000 1.140) 1.298 14.501 ( 0.583 0.000 -1.959) 2.044 14.572 ( -0.769 0.000 -6.950) 6.992 14.646 ( -1.701 0.000 -0.898) 1.923 14.746 ( -1.565 0.000 -0.207) 1.579 14.819 ( -0.493 0.000 1.038) 1.149 14.896 ( -0.648 0.000 0.003) 0.648 14.922 ( 2.179 0.000 -0.419) 2.219 15.125 ( 0.041 0.000 1.468) 1.469 15.363 ( -4.246 0.000 2.501) 4.928 15.460 ( -1.628 0.000 -3.034) 3.443 16.775 ( -0.902 0.000 2.204) 2.381 16.856 ( 0.831 0.000 1.654) 1.850 20.291 ( 0.239 0.000 2.811) 2.821 20.335 ( 2.344 0.000 2.512) 3.436 21.837 ( -0.004 0.000 -0.222) 0.222 21.844 ( 0.066 0.000 0.046) 0.080 23.129 ( 0.099 0.000 1.240) 1.244 23.170 ( 0.225 0.000 0.978) 1.003 28.200 ( -0.291 0.000 -1.404) 1.434 28.265 ( 1.272 0.000 1.408) 1.897 28.926 ( 0.268 0.000 0.079) 0.280 29.019 ( -0.574 0.000 0.627) 0.850 32.763 ( 0.417 0.000 -1.158) 1.231 32.888 ( -0.960 0.000 0.672) 1.172 33.147 ( -0.072 0.000 5.022) 5.022 33.317 ( 7.521 0.000 -3.764) 8.410 33.528 ( -6.863 0.000 2.665) 7.362 33.763 ( 0.296 0.000 -1.353) 1.385 34.295 ( -3.356 0.000 -6.439) 7.261 34.716 ( 3.595 0.000 2.555) 4.410 ======================= Grid point 53 (24/96) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -14.833 0.000 16.038) 21.845 0.702 ( -19.441 0.000 18.756) 27.014 1.151 ( -7.016 0.000 1.522) 7.179 1.361 ( -32.861 0.000 33.299) 46.783 1.627 ( 4.358 0.000 0.130) 4.360 2.021 ( -13.410 0.000 2.886) 13.717 2.097 ( -4.887 0.000 9.969) 11.102 2.323 ( 1.496 0.000 3.354) 3.672 2.382 ( -5.039 0.000 -2.403) 5.583 2.530 ( -0.374 0.000 -3.321) 3.343 2.771 ( 9.395 0.000 -5.139) 10.709 3.044 ( 5.095 0.000 -0.772) 5.153 3.048 ( 4.434 0.000 2.638) 5.159 3.088 ( 2.220 0.000 -7.063) 7.404 3.217 ( 0.259 0.000 -6.503) 6.508 3.274 ( 2.666 0.000 -2.510) 3.662 3.275 ( -2.544 0.000 1.547) 2.978 3.388 ( 2.975 0.000 -5.138) 5.938 3.392 ( 0.454 0.000 1.951) 2.003 3.436 ( 0.026 0.000 -3.185) 3.185 3.571 ( -0.524 0.000 1.683) 1.763 3.587 ( 1.776 0.000 1.080) 2.079 3.694 ( -4.946 0.000 1.929) 5.309 3.717 ( 5.058 0.000 9.600) 10.851 3.834 ( -4.058 0.000 0.849) 4.146 3.851 ( -1.514 0.000 -1.029) 1.830 3.900 ( 2.132 0.000 1.408) 2.555 3.969 ( -1.750 0.000 -1.181) 2.111 4.017 ( 2.682 0.000 5.129) 5.788 4.185 ( -3.429 0.000 -1.639) 3.801 4.199 ( -0.976 0.000 -0.116) 0.983 4.385 ( -2.690 0.000 3.522) 4.432 4.479 ( -3.397 0.000 4.651) 5.759 4.531 ( 4.308 0.000 3.084) 5.298 4.813 ( -3.237 0.000 -2.370) 4.012 4.886 ( 1.687 0.000 -2.431) 2.959 4.966 ( -3.950 0.000 -1.525) 4.234 5.003 ( -2.881 0.000 -4.255) 5.139 5.045 ( -4.123 0.000 -1.476) 4.379 5.174 ( 4.990 0.000 -0.884) 5.067 5.382 ( -1.518 0.000 -6.014) 6.202 5.776 ( 2.277 0.000 -1.204) 2.576 5.799 ( -0.062 0.000 -0.789) 0.791 6.291 ( -1.181 0.000 -3.064) 3.284 6.378 ( -0.052 0.000 4.777) 4.777 6.802 ( 9.386 0.000 -9.052) 13.039 8.589 ( 1.267 0.000 3.505) 3.727 8.604 ( -0.373 0.000 -2.354) 2.384 10.400 ( 1.415 0.000 0.653) 1.558 10.415 ( 1.055 0.000 0.370) 1.118 11.130 ( 0.083 0.000 -0.429) 0.437 11.217 ( 1.111 0.000 -0.416) 1.186 11.343 ( -1.824 0.000 -0.412) 1.870 11.443 ( 0.090 0.000 0.302) 0.315 14.518 ( 0.886 0.000 -1.310) 1.582 14.547 ( 0.312 0.000 -5.475) 5.484 14.687 ( 8.882 0.000 9.458) 12.975 14.730 ( -0.284 0.000 1.163) 1.198 14.814 ( -0.375 0.000 1.005) 1.073 14.890 ( -0.084 0.000 0.228) 0.243 14.985 ( 4.242 0.000 0.520) 4.273 15.134 ( 1.327 0.000 2.330) 2.682 15.274 ( -5.702 0.000 2.356) 6.169 15.397 ( -4.510 0.000 -4.606) 6.446 16.750 ( -1.641 0.000 -0.244) 1.659 16.864 ( -0.354 0.000 -0.199) 0.406 20.399 ( 2.883 0.000 6.107) 6.754 20.484 ( 24.133 0.000 28.864) 37.623 21.838 ( 0.113 0.000 0.009) 0.114 21.844 ( 0.004 0.000 0.023) 0.024 23.131 ( -0.217 0.000 0.780) 0.810 23.174 ( -0.137 0.000 0.635) 0.649 28.230 ( 5.724 0.000 5.598) 8.006 28.291 ( 0.787 0.000 1.886) 2.044 28.932 ( 0.235 0.000 0.136) 0.271 29.006 ( -0.943 0.000 0.343) 1.003 32.774 ( 0.969 0.000 -0.545) 1.111 32.872 ( -0.859 0.000 0.363) 0.932 33.142 ( -1.855 0.000 3.754) 4.187 33.424 ( -4.368 0.000 1.994) 4.801 33.445 ( 6.782 0.000 -4.180) 7.966 33.777 ( 1.264 0.000 -0.273) 1.294 34.161 ( -10.742 0.000 -12.301) 16.331 34.710 ( -8.232 0.000 -14.138) 16.360 ======================= Grid point 54 (25/96) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -1.468 18.827 17.874) 26.001 0.751 ( -2.497 16.090 21.318) 26.825 1.254 ( -9.620 21.460 21.642) 31.960 1.304 ( 4.867 17.097 13.031) 22.041 1.722 ( -1.341 3.764 -2.033) 4.484 1.802 ( -0.355 -6.374 9.486) 11.434 2.034 ( 2.522 -12.076 7.683) 14.534 2.220 ( -1.865 3.845 0.439) 4.295 2.334 ( 0.354 -9.231 -0.146) 9.238 2.680 ( 2.635 8.891 1.604) 9.411 2.874 ( 0.547 -0.137 -8.654) 8.673 2.947 ( -0.482 -5.040 -6.037) 7.879 3.138 ( 3.646 1.693 -2.921) 4.968 3.163 ( -1.542 -5.235 -4.405) 7.013 3.221 ( -3.900 1.763 -0.811) 4.356 3.228 ( 1.694 1.052 0.406) 2.035 3.361 ( 3.243 -3.648 0.879) 4.959 3.388 ( 2.405 -0.698 -4.217) 4.905 3.460 ( 2.649 -1.807 -1.261) 3.446 3.494 ( -0.108 -4.525 3.275) 5.587 3.511 ( -0.997 3.218 0.885) 3.483 3.586 ( -1.134 2.418 1.020) 2.859 3.678 ( -1.136 1.793 -2.899) 3.593 3.740 ( -5.619 -0.689 3.632) 6.726 3.805 ( 2.386 -6.596 -0.864) 7.068 3.855 ( 0.916 -2.365 2.795) 3.774 3.951 ( -0.990 1.667 4.057) 4.497 4.027 ( 5.551 -4.257 1.562) 7.167 4.039 ( 9.461 -4.727 1.763) 10.722 4.084 ( 6.490 -0.699 4.362) 7.851 4.202 ( -0.401 -1.619 4.893) 5.169 4.389 ( -0.793 -1.005 3.799) 4.009 4.442 ( -1.304 0.210 3.245) 3.504 4.468 ( -4.403 1.050 4.056) 6.078 4.893 ( 1.710 0.785 -4.501) 4.878 4.902 ( 1.701 -0.696 -1.220) 2.206 4.980 ( -3.898 3.987 -0.133) 5.577 5.038 ( 1.790 7.221 -5.164) 9.056 5.095 ( 5.775 4.876 -6.126) 9.729 5.273 ( -2.589 2.626 -6.338) 7.332 5.340 ( 2.003 3.141 -4.217) 5.627 5.703 ( -1.790 -3.974 -7.184) 8.403 5.818 ( -3.617 3.428 -3.909) 6.333 6.134 ( -15.354 0.046 -14.578) 21.172 6.373 ( -0.902 -0.157 5.514) 5.590 6.514 ( -8.516 -2.564 5.521) 10.468 8.575 ( 0.473 0.548 0.433) 0.844 8.630 ( 2.937 0.155 0.541) 2.990 10.430 ( 0.864 0.418 1.631) 1.892 10.446 ( 1.417 0.174 1.909) 2.384 11.133 ( -0.414 0.555 -0.671) 0.964 11.206 ( -0.931 -0.915 -1.599) 2.064 11.343 ( 0.213 0.448 0.749) 0.898 11.431 ( -0.762 -1.070 -0.688) 1.483 14.504 ( 1.131 -1.030 -1.821) 2.378 14.542 ( 2.263 -1.359 -3.773) 4.605 14.719 ( 1.174 -0.902 3.326) 3.641 14.782 ( -0.521 -1.652 2.868) 3.350 14.900 ( -0.111 1.237 -0.214) 1.260 14.955 ( 0.963 0.687 -0.551) 1.305 15.052 ( 1.917 -0.715 2.265) 3.052 15.116 ( 1.211 -2.562 4.556) 5.366 15.256 ( -5.267 1.054 -0.358) 5.384 15.290 ( 4.763 -0.817 -1.365) 5.022 16.751 ( 0.529 -0.124 1.389) 1.492 16.846 ( -1.245 -0.702 -0.750) 1.614 20.466 ( 2.140 -0.024 10.190) 10.412 20.889 ( 15.437 -26.721 24.544) 39.430 21.841 ( 0.188 0.064 0.103) 0.224 21.844 ( 0.145 -0.006 0.038) 0.150 23.134 ( 0.064 0.339 0.802) 0.873 23.168 ( -0.189 -0.279 0.401) 0.524 28.288 ( 0.383 -1.141 2.710) 2.965 28.390 ( 7.562 -8.697 7.486) 13.743 28.943 ( 0.438 0.479 0.373) 0.749 28.985 ( -0.498 -0.469 -0.245) 0.727 32.885 ( -0.719 2.764 -0.101) 2.858 33.074 ( 0.693 -0.645 -0.658) 1.153 33.170 ( 14.027 9.243 -6.775) 18.113 33.331 ( -3.555 -2.041 1.149) 4.257 33.575 ( 3.701 3.226 -1.282) 5.074 33.740 ( -23.343 17.369 -15.460) 32.948 33.783 ( -4.932 1.110 -1.669) 5.324 34.324 ( -7.429 -4.518 -5.295) 10.180 ======================= Grid point 55 (26/96) ======================= q-point: ( 0.11 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 15.796 14.727 10.321) 23.936 0.948 ( 11.240 16.255 17.026) 26.085 1.295 ( 5.518 10.549 9.766) 15.398 1.540 ( 4.638 7.253 10.573) 13.634 1.648 ( 3.121 7.288 5.969) 9.924 1.916 ( 8.005 -5.336 10.431) 14.190 2.091 ( 2.916 -3.931 2.743) 5.611 2.252 ( 2.106 -8.429 4.720) 9.888 2.348 ( 1.506 -6.625 2.507) 7.242 2.659 ( -4.237 3.598 -2.942) 6.289 2.839 ( 2.493 9.509 -3.090) 10.305 2.948 ( -2.207 -4.721 -4.169) 6.674 3.093 ( -3.619 -7.856 -4.020) 9.538 3.144 ( -1.794 2.166 -1.293) 3.096 3.215 ( 1.251 0.701 1.088) 1.800 3.247 ( 0.511 0.941 -1.556) 1.889 3.330 ( -4.764 -0.630 0.277) 4.814 3.373 ( -1.781 1.030 -0.898) 2.245 3.437 ( -3.215 3.632 0.218) 4.856 3.476 ( -1.773 -2.663 4.186) 5.269 3.536 ( 2.422 -2.083 1.824) 3.679 3.624 ( 0.907 1.403 1.065) 1.982 3.659 ( 0.853 -0.623 -0.457) 1.151 3.691 ( 2.019 -1.660 0.082) 2.615 3.814 ( -0.057 -3.364 0.212) 3.371 3.894 ( -0.128 -9.523 3.948) 10.310 3.961 ( 1.344 1.124 3.181) 3.632 4.047 ( -0.382 -4.789 1.406) 5.006 4.171 ( 4.338 0.601 4.014) 5.941 4.236 ( 2.436 -0.499 3.620) 4.392 4.279 ( -1.320 -7.683 2.100) 8.073 4.366 ( 1.431 1.566 -0.155) 2.127 4.375 ( -2.533 4.621 1.755) 5.554 4.501 ( 2.871 -3.942 5.297) 7.200 4.863 ( -3.863 5.127 -3.483) 7.303 4.921 ( 0.569 -0.511 -1.749) 1.908 4.950 ( 3.680 -1.981 -1.745) 4.529 5.095 ( 3.160 8.821 -5.197) 10.714 5.142 ( -2.716 -2.655 -2.304) 4.443 5.225 ( 2.451 2.154 -6.475) 7.251 5.367 ( 1.853 3.100 -4.654) 5.891 5.615 ( -4.325 1.263 -14.199) 14.897 5.681 ( -7.702 2.791 -7.649) 11.208 5.868 ( -3.379 0.887 -8.114) 8.834 6.365 ( -1.984 0.748 5.300) 5.709 6.436 ( -3.253 0.906 7.435) 8.166 8.597 ( 1.479 1.507 0.046) 2.112 8.700 ( 3.995 0.787 1.158) 4.233 10.442 ( -0.258 0.239 2.036) 2.066 10.474 ( 0.609 -0.201 2.359) 2.445 11.125 ( -0.208 -0.292 -0.558) 0.663 11.163 ( -2.389 -0.275 -2.133) 3.215 11.346 ( -0.352 -0.326 0.071) 0.485 11.409 ( -1.204 -1.156 -0.639) 1.788 14.522 ( 1.346 -0.407 -1.827) 2.305 14.577 ( 2.676 -0.795 -4.291) 5.120 14.753 ( 0.974 -2.356 3.406) 4.254 14.784 ( 0.360 -1.503 2.700) 3.110 14.868 ( -2.863 1.003 0.433) 3.064 14.922 ( -1.747 0.614 -0.480) 1.913 15.058 ( -1.385 1.065 3.957) 4.325 15.128 ( -1.117 0.621 3.624) 3.842 15.242 ( 3.210 1.879 -0.792) 3.803 15.381 ( 3.817 -2.296 -4.958) 6.665 16.762 ( -0.416 -1.320 1.282) 1.887 16.812 ( -2.042 -0.578 0.646) 2.218 20.514 ( -0.631 0.609 10.628) 10.664 20.951 ( -11.125 -19.106 17.274) 28.057 21.844 ( 0.026 0.113 0.047) 0.125 21.852 ( 0.407 -0.099 0.254) 0.490 23.139 ( -0.117 -0.189 1.156) 1.177 23.164 ( -0.458 -0.053 0.431) 0.632 28.284 ( -1.239 -0.200 1.668) 2.088 28.451 ( -3.235 -9.151 6.710) 11.800 28.957 ( 0.406 -0.313 1.170) 1.277 28.981 ( 0.088 -0.303 -0.441) 0.542 32.854 ( -2.121 2.657 -0.634) 3.458 33.034 ( -3.948 -1.040 0.362) 4.099 33.129 ( -9.410 14.856 0.670) 17.598 33.401 ( 5.843 -2.439 1.248) 6.454 33.520 ( 1.658 6.416 -5.568) 8.656 33.693 ( 13.123 7.331 -12.215) 19.368 33.817 ( 3.696 -0.331 0.365) 3.729 34.243 ( 0.039 -3.746 -7.560) 8.437 ======================= Grid point 56 (27/96) ======================= q-point: ( 0.22 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 4.055 10.531 6.413) 12.980 1.231 ( 12.551 12.834 1.153) 17.988 1.447 ( 7.211 2.354 4.277) 8.708 1.490 ( 10.325 4.315 10.368) 15.255 1.996 ( 16.073 -2.359 6.709) 17.576 2.085 ( 2.893 -0.819 -0.029) 3.007 2.132 ( 1.677 -9.188 7.661) 12.080 2.324 ( 6.428 -10.876 7.877) 14.888 2.414 ( 5.621 -2.359 1.944) 6.398 2.642 ( 3.776 7.238 -0.810) 8.204 2.828 ( -3.845 6.634 -3.376) 8.378 2.911 ( 0.464 3.192 -2.003) 3.797 3.004 ( -4.299 -3.411 -2.041) 5.855 3.083 ( -4.476 2.997 1.163) 5.511 3.157 ( -5.411 -0.958 -0.778) 5.550 3.235 ( -2.763 -3.342 1.493) 4.586 3.270 ( 1.380 1.895 1.259) 2.661 3.371 ( -3.336 -3.197 3.110) 5.570 3.434 ( 2.820 -0.278 0.931) 2.982 3.493 ( 3.251 1.527 1.682) 3.966 3.540 ( -2.162 0.066 3.091) 3.772 3.606 ( -0.763 0.533 -1.102) 1.442 3.720 ( 4.058 -2.711 2.235) 5.368 3.760 ( 3.023 2.700 0.762) 4.125 3.806 ( -1.381 -5.460 0.912) 5.705 3.885 ( -1.515 -6.361 2.468) 6.989 3.986 ( -0.217 -0.716 2.534) 2.642 4.040 ( -0.025 -2.008 -0.815) 2.167 4.135 ( -8.278 -4.198 0.411) 9.290 4.233 ( -0.277 -0.145 4.013) 4.025 4.290 ( 1.921 0.607 -1.184) 2.337 4.359 ( 2.082 0.097 6.357) 6.690 4.405 ( -1.672 6.666 -1.577) 7.051 4.550 ( 1.135 0.060 7.055) 7.146 4.843 ( 0.552 0.170 -3.256) 3.307 4.915 ( 0.764 1.288 -2.366) 2.800 5.001 ( -1.001 -0.935 -3.534) 3.790 5.026 ( -0.730 0.448 -3.178) 3.291 5.168 ( 2.594 1.714 -3.940) 5.019 5.250 ( 1.813 1.386 -3.477) 4.158 5.368 ( -0.634 1.084 -6.378) 6.501 5.488 ( -4.102 2.561 -12.014) 12.951 5.553 ( -2.687 1.979 -4.865) 5.900 5.855 ( 1.332 -2.866 -6.448) 7.181 6.328 ( -3.317 1.317 4.449) 5.704 6.411 ( -1.954 -0.517 5.836) 6.176 8.618 ( 0.537 1.672 -0.402) 1.801 8.775 ( 3.279 -0.341 1.312) 3.548 10.433 ( -1.322 0.036 1.635) 2.103 10.477 ( -0.929 -0.739 1.427) 1.856 11.104 ( -1.619 0.008 -1.378) 2.126 11.138 ( 0.224 -0.623 -0.351) 0.749 11.335 ( -0.642 0.022 0.223) 0.680 11.385 ( -1.185 -0.931 -0.283) 1.533 14.541 ( 1.259 0.225 -2.382) 2.703 14.612 ( 2.558 -1.191 -5.028) 5.766 14.763 ( -0.291 -1.455 2.136) 2.601 14.822 ( 1.740 -1.958 3.075) 4.039 14.833 ( -0.585 1.305 1.179) 1.853 14.903 ( -0.367 0.357 -0.273) 0.580 15.040 ( -1.687 2.348 3.863) 4.825 15.120 ( -1.079 0.829 1.720) 2.193 15.300 ( 2.910 1.702 -2.089) 3.966 15.418 ( 2.293 -1.159 -4.393) 5.089 16.746 ( -0.950 -0.270 -0.687) 1.204 16.783 ( -1.723 -0.549 3.119) 3.605 20.505 ( -3.475 0.808 8.641) 9.349 20.756 ( -12.280 -7.073 11.023) 17.954 21.843 ( -0.060 0.201 -0.002) 0.210 21.856 ( -0.062 -0.052 0.232) 0.246 23.136 ( -0.496 -0.179 1.096) 1.217 23.154 ( -0.723 0.104 0.692) 1.007 28.259 ( -1.636 0.295 0.794) 1.843 28.382 ( -4.774 -3.879 4.470) 7.603 28.961 ( -0.372 -0.229 1.321) 1.391 28.983 ( 0.362 -0.303 -0.531) 0.711 32.819 ( -1.147 1.211 -0.417) 1.720 32.950 ( -4.041 1.450 1.239) 4.469 33.063 ( -0.769 8.187 -0.864) 8.268 33.424 ( -3.990 -2.468 3.464) 5.832 33.547 ( 3.264 2.289 2.190) 4.549 33.808 ( 1.862 -3.963 1.050) 4.503 34.009 ( 15.251 4.675 -15.288) 22.095 34.271 ( 5.171 -2.528 -6.971) 9.040 ======================= Grid point 57 (28/96) ======================= q-point: ( 0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -8.910 5.142 4.030) 11.049 1.412 ( 7.405 7.920 -1.686) 10.973 1.726 ( 10.463 0.988 4.696) 11.511 1.790 ( 16.538 3.552 6.296) 18.049 2.028 ( -1.232 -9.797 2.812) 10.267 2.186 ( 1.452 -7.518 2.715) 8.124 2.253 ( 8.160 -2.018 5.017) 9.789 2.454 ( 3.746 -4.042 2.987) 6.268 2.555 ( 2.300 6.411 -1.514) 6.977 2.742 ( 5.032 0.921 -2.329) 5.621 2.791 ( 2.662 8.795 -1.171) 9.263 2.907 ( -0.086 1.641 -2.865) 3.303 2.956 ( 2.254 -4.841 3.034) 6.142 3.002 ( -6.499 -4.093 0.756) 7.718 3.075 ( -0.666 -0.614 0.448) 1.011 3.205 ( -1.480 -1.917 1.766) 2.997 3.293 ( -1.887 -4.537 2.528) 5.526 3.376 ( 4.410 3.757 2.906) 6.481 3.424 ( -1.902 2.176 -2.420) 3.770 3.464 ( -3.626 -2.605 0.343) 4.478 3.587 ( 1.863 2.370 8.319) 8.849 3.648 ( 1.457 -0.885 -1.518) 2.283 3.730 ( -3.942 -3.935 1.447) 5.755 3.766 ( 2.875 4.408 0.281) 5.270 3.810 ( -1.849 0.739 2.444) 3.152 3.869 ( 0.732 -5.328 0.349) 5.389 3.960 ( -2.764 -0.975 3.830) 4.823 4.039 ( 0.024 -2.709 -3.359) 4.316 4.058 ( 0.825 1.997 0.094) 2.163 4.233 ( -0.648 -0.792 3.278) 3.434 4.307 ( -2.160 3.439 1.407) 4.298 4.328 ( -2.933 4.906 -0.600) 5.747 4.429 ( 2.100 2.220 0.983) 3.210 4.595 ( 1.673 -3.145 8.563) 9.275 4.792 ( -4.650 0.349 1.033) 4.776 4.894 ( -1.945 2.929 -2.343) 4.225 5.008 ( 4.893 -0.320 -4.488) 6.647 5.055 ( 1.899 -3.759 -2.291) 4.794 5.177 ( -0.585 -0.989 -5.336) 5.458 5.255 ( -2.148 -0.785 -5.889) 6.317 5.300 ( -1.253 1.688 -3.010) 3.671 5.426 ( 0.590 0.564 -7.090) 7.137 5.548 ( 1.962 4.276 -1.089) 4.829 5.848 ( -0.060 -1.999 -4.039) 4.507 6.283 ( -2.492 1.475 3.454) 4.507 6.389 ( -2.189 -1.010 4.999) 5.550 8.613 ( -0.749 2.093 -1.278) 2.564 8.823 ( 1.495 -2.117 -0.093) 2.593 10.407 ( -1.675 -0.012 0.798) 1.856 10.453 ( -1.644 -0.965 0.012) 1.906 11.081 ( -0.451 0.599 -0.299) 0.807 11.144 ( 0.301 -1.017 -0.153) 1.072 11.329 ( -0.126 0.262 1.126) 1.163 11.367 ( -0.607 -0.612 0.507) 1.001 14.554 ( 1.076 0.631 -3.502) 3.718 14.641 ( 2.178 -1.731 -5.818) 6.449 14.766 ( 0.069 -0.215 0.964) 0.990 14.832 ( 0.313 0.904 0.437) 1.052 14.861 ( 0.650 -2.212 3.138) 3.894 14.904 ( 0.518 -0.229 0.220) 0.607 15.016 ( -1.936 2.461 2.178) 3.814 15.092 ( -1.888 0.715 -0.323) 2.044 15.342 ( 2.376 1.806 -1.708) 3.438 15.449 ( 2.085 -0.744 -2.531) 3.363 16.736 ( 0.114 0.195 0.255) 0.340 16.765 ( -1.134 -0.141 3.208) 3.406 20.446 ( -4.753 0.793 5.235) 7.115 20.582 ( -8.808 -2.773 5.300) 10.646 21.842 ( -0.068 0.180 -0.015) 0.193 21.852 ( -0.327 -0.016 0.080) 0.337 23.129 ( -0.639 -0.028 1.343) 1.488 23.144 ( -0.456 0.030 0.628) 0.776 28.233 ( -1.117 0.489 0.202) 1.236 28.315 ( -3.414 -1.679 2.342) 4.468 28.952 ( -0.839 0.165 1.032) 1.340 28.991 ( 0.608 -0.605 -0.578) 1.034 32.810 ( 0.257 -0.683 -0.207) 0.758 32.887 ( -3.036 -0.260 0.037) 3.048 33.057 ( 0.226 6.711 -0.382) 6.725 33.330 ( -6.130 -0.830 3.525) 7.120 33.626 ( 3.620 0.961 2.661) 4.595 33.833 ( 0.195 -4.037 3.166) 5.134 34.198 ( 9.315 2.894 -11.663) 15.204 34.381 ( 7.841 -1.873 -5.486) 9.751 ======================= Grid point 58 (29/96) ======================= q-point: ( 0.44 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -5.311 4.150 4.378) 8.037 1.514 ( 5.457 1.288 -6.784) 8.801 1.806 ( -1.628 -3.028 3.654) 5.017 2.042 ( 1.971 0.437 9.893) 10.097 2.059 ( 4.875 -5.514 0.651) 7.389 2.228 ( 0.193 -3.732 5.779) 6.882 2.388 ( 4.994 2.429 4.862) 7.381 2.497 ( -0.126 3.458 5.049) 6.121 2.507 ( -1.739 3.660 -2.542) 4.784 2.766 ( -2.758 -1.038 -4.326) 5.234 2.820 ( 2.303 -3.150 -6.657) 7.717 2.891 ( -3.386 -3.533 -0.969) 4.989 2.944 ( 4.697 0.785 -1.424) 4.970 3.020 ( -0.097 -7.616 -3.882) 8.549 3.098 ( 2.192 -0.518 -0.024) 2.253 3.148 ( -4.103 -1.445 2.006) 4.791 3.297 ( -4.539 -1.644 -4.290) 6.459 3.307 ( 1.449 -3.662 1.286) 4.143 3.484 ( 3.058 -0.918 3.692) 4.881 3.538 ( 6.748 6.121 3.264) 9.677 3.587 ( -1.588 -1.374 1.550) 2.610 3.598 ( -4.862 3.601 2.542) 6.562 3.687 ( -2.404 1.913 2.204) 3.781 3.750 ( -2.286 3.075 0.852) 3.926 3.867 ( 2.421 3.673 0.561) 4.435 3.873 ( -1.659 -6.551 1.332) 6.888 3.926 ( 0.259 1.970 0.763) 2.129 4.056 ( 0.574 2.054 1.684) 2.718 4.107 ( 5.054 0.805 0.133) 5.120 4.182 ( -4.793 3.316 -0.479) 5.848 4.259 ( -1.209 1.906 3.136) 3.864 4.328 ( -0.185 2.716 6.224) 6.793 4.410 ( -2.077 2.150 -1.727) 3.452 4.600 ( -5.069 0.517 3.333) 6.089 4.814 ( 8.761 -6.622 2.533) 11.270 4.889 ( -0.670 -1.296 0.119) 1.464 5.009 ( -3.880 -3.027 -4.026) 6.358 5.094 ( -1.845 1.987 -1.714) 3.208 5.105 ( 3.168 -1.741 -3.777) 5.228 5.228 ( 1.165 -1.522 -1.798) 2.628 5.320 ( 2.687 2.495 -0.944) 3.787 5.436 ( 1.887 -0.978 -5.133) 5.555 5.587 ( 1.982 4.376 0.026) 4.804 5.842 ( 0.741 -1.249 -2.248) 2.677 6.261 ( -0.874 1.319 3.079) 3.462 6.362 ( -2.112 -1.025 4.351) 4.943 8.588 ( -1.103 2.493 -2.271) 3.548 8.826 ( -0.808 -2.939 -2.405) 3.883 10.380 ( -1.220 0.012 -0.090) 1.223 10.424 ( -1.161 -0.916 -1.079) 1.830 11.082 ( 0.422 0.634 0.673) 1.016 11.146 ( -0.052 -0.987 -0.277) 1.027 11.337 ( 0.394 0.282 2.142) 2.196 11.367 ( 0.280 -0.428 1.538) 1.620 14.557 ( 0.439 0.810 -4.418) 4.513 14.653 ( 0.994 -1.808 -6.835) 7.140 14.765 ( -0.537 0.045 -0.025) 0.539 14.837 ( 0.065 1.031 0.241) 1.061 14.862 ( -1.338 -2.273 1.583) 3.076 14.917 ( 0.329 -0.884 0.776) 1.222 14.981 ( -1.820 2.317 -0.322) 2.964 15.062 ( -0.590 0.515 -1.244) 1.470 15.383 ( 2.226 1.825 0.310) 2.895 15.477 ( 1.426 -0.353 -1.131) 1.854 16.750 ( 0.659 0.070 2.275) 2.370 16.763 ( 0.034 0.296 2.911) 2.927 20.372 ( -3.972 0.742 1.967) 4.493 20.457 ( -5.687 -1.306 1.033) 5.926 21.841 ( -0.013 0.128 -0.030) 0.132 21.846 ( -0.298 0.008 -0.055) 0.303 23.122 ( -0.486 0.194 1.417) 1.510 23.142 ( 0.007 -0.169 0.811) 0.828 28.220 ( -0.310 0.419 0.065) 0.525 28.268 ( -2.133 -0.744 0.737) 2.376 28.939 ( -0.693 0.506 0.538) 1.012 29.001 ( 0.543 -0.893 -0.357) 1.104 32.818 ( -0.617 -0.986 0.476) 1.256 32.844 ( -0.087 -1.415 -1.671) 2.192 33.070 ( 0.975 5.132 0.849) 5.292 33.237 ( -4.440 0.573 2.338) 5.050 33.685 ( 1.634 0.403 2.517) 3.028 33.831 ( -1.500 -3.465 3.215) 4.959 34.305 ( 5.508 2.732 -7.174) 9.448 34.498 ( 5.693 -2.092 -4.050) 7.293 ======================= Grid point 59 (30/96) ======================= q-point: (-0.44 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 0.377 2.968 2.276) 3.759 1.583 ( 2.275 3.504 -6.123) 7.412 1.740 ( -4.228 -9.584 1.731) 10.618 1.928 ( -13.782 -1.361 3.500) 14.285 2.063 ( -9.716 3.588 3.738) 11.012 2.219 ( 1.181 -6.607 4.601) 8.138 2.446 ( -0.786 -1.554 7.156) 7.365 2.486 ( -3.103 0.188 4.740) 5.668 2.575 ( 6.907 8.285 1.381) 10.874 2.704 ( -1.570 -1.762 -7.866) 8.213 2.762 ( -4.217 -3.585 -8.900) 10.480 2.886 ( 2.976 -4.018 1.414) 5.196 2.947 ( -3.326 -4.626 -2.597) 6.261 3.058 ( 5.557 -0.204 -0.976) 5.645 3.140 ( 1.522 -2.250 6.117) 6.692 3.143 ( 1.284 -1.779 -0.029) 2.194 3.202 ( -3.377 0.682 -5.777) 6.727 3.358 ( 1.221 -4.767 3.209) 5.875 3.477 ( -7.338 4.937 -0.832) 8.883 3.488 ( -0.450 -3.630 -1.614) 3.998 3.581 ( -5.033 1.398 2.491) 5.787 3.612 ( -0.670 6.943 5.373) 8.804 3.667 ( 1.743 8.145 -0.001) 8.329 3.712 ( -1.154 -0.859 0.411) 1.496 3.782 ( -6.022 -2.342 1.064) 6.548 3.881 ( -0.075 -1.045 0.282) 1.085 3.968 ( 1.674 1.667 1.811) 2.977 4.071 ( 2.046 3.134 -0.430) 3.767 4.097 ( -3.485 1.948 -2.965) 4.973 4.215 ( 4.555 5.260 1.393) 7.096 4.237 ( -3.484 -1.565 0.988) 3.945 4.360 ( 3.505 2.604 6.561) 7.881 4.413 ( 0.358 -2.290 1.070) 2.553 4.551 ( -0.451 4.014 1.933) 4.477 4.788 ( -5.300 -4.335 2.477) 7.281 4.917 ( 1.446 0.552 0.817) 1.750 5.025 ( 2.848 -3.331 -4.133) 6.024 5.119 ( -0.527 -1.119 -3.615) 3.820 5.125 ( 3.953 1.006 -4.437) 6.027 5.252 ( 1.342 -1.819 -1.972) 3.000 5.419 ( 5.952 -0.931 4.379) 7.448 5.471 ( 5.625 -0.402 0.017) 5.639 5.619 ( 1.301 3.391 1.374) 3.883 5.866 ( 2.630 -1.931 -1.623) 3.644 6.270 ( 0.731 0.943 3.711) 3.898 6.341 ( -1.299 -0.993 3.578) 3.934 8.563 ( -0.656 2.556 -2.747) 3.810 8.781 ( -2.682 -2.492 -4.374) 5.704 10.363 ( -0.321 0.055 -0.787) 0.852 10.405 ( -0.327 -0.812 -1.760) 1.966 11.099 ( 1.039 0.292 1.338) 1.719 11.142 ( -0.244 -0.827 -0.375) 0.940 11.354 ( 0.534 0.226 2.592) 2.657 11.385 ( 0.865 -0.433 2.167) 2.374 14.542 ( -0.480 0.786 -4.673) 4.763 14.635 ( -0.491 -1.731 -7.424) 7.638 14.742 ( -1.607 0.253 -1.194) 2.018 14.825 ( -2.280 -0.782 -0.212) 2.419 14.836 ( -0.536 -0.132 0.254) 0.608 14.907 ( -1.402 -0.959 0.174) 1.707 14.960 ( -0.203 2.578 -0.948) 2.754 15.070 ( 1.516 -0.261 -0.513) 1.622 15.420 ( 1.071 1.670 1.872) 2.728 15.493 ( 0.510 0.036 -0.767) 0.922 16.765 ( 0.148 0.362 3.656) 3.677 16.788 ( 1.351 -0.049 2.933) 3.230 20.318 ( -1.861 0.617 0.042) 1.961 20.372 ( -3.283 -0.644 -1.782) 3.791 21.841 ( -0.039 0.075 -0.042) 0.094 21.842 ( -0.028 0.062 -0.180) 0.192 23.121 ( -0.086 0.335 1.377) 1.420 23.148 ( 0.287 -0.265 1.029) 1.100 28.222 ( 0.395 0.142 0.273) 0.501 28.237 ( -1.223 -0.239 -0.504) 1.345 28.931 ( -0.261 0.727 0.186) 0.795 29.009 ( 0.321 -1.068 -0.026) 1.115 32.792 ( -1.014 0.243 -0.571) 1.189 32.871 ( 2.208 -1.841 -0.787) 2.981 33.097 ( 1.251 3.253 2.342) 4.199 33.189 ( -0.829 1.309 0.280) 1.575 33.697 ( -1.472 0.051 2.878) 3.233 33.797 ( -2.625 -2.605 1.530) 4.003 34.363 ( 2.639 2.384 -4.981) 6.120 34.567 ( 2.665 -2.523 -1.251) 3.877 ======================= Grid point 60 (31/96) ======================= q-point: (-0.33 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 6.703 0.296 -1.134) 6.804 1.462 ( -11.991 9.897 0.786) 15.567 1.552 ( -19.208 -0.153 -1.123) 19.241 1.772 ( -12.546 3.631 1.971) 13.209 1.861 ( 2.637 -7.069 0.602) 7.569 2.264 ( -0.414 -7.929 6.763) 10.430 2.381 ( -8.209 -4.394 9.679) 13.430 2.427 ( -6.174 -4.867 0.999) 7.925 2.612 ( -4.668 0.487 -3.299) 5.737 2.660 ( 0.369 1.762 -4.114) 4.491 2.744 ( 2.045 3.785 2.235) 4.848 2.861 ( -6.236 0.961 2.188) 6.678 2.972 ( 2.283 -3.473 -3.786) 5.622 3.043 ( -6.540 2.485 4.612) 8.379 3.129 ( 1.917 -0.497 -1.881) 2.731 3.164 ( 1.209 -3.214 1.748) 3.853 3.216 ( 4.064 1.018 -2.134) 4.702 3.309 ( -5.930 2.299 0.787) 6.409 3.385 ( 1.328 0.677 4.351) 4.599 3.497 ( 0.527 -0.622 0.988) 1.281 3.551 ( 3.689 -3.000 -3.446) 5.873 3.603 ( -2.074 -0.780 0.261) 2.231 3.647 ( -1.254 3.092 -3.401) 4.764 3.730 ( 2.493 4.037 2.105) 5.191 3.775 ( 1.668 -1.618 0.795) 2.456 3.850 ( -2.936 -0.373 1.965) 3.553 3.945 ( -3.831 3.254 1.519) 5.251 4.054 ( 0.224 1.096 -4.580) 4.715 4.106 ( -4.991 -1.272 -0.791) 5.211 4.156 ( 1.785 -2.043 -3.685) 4.575 4.284 ( 1.941 3.942 2.630) 5.121 4.363 ( -4.513 -5.703 4.012) 8.306 4.458 ( 2.790 2.633 4.346) 5.797 4.560 ( -0.001 5.349 3.076) 6.170 4.802 ( 3.246 -0.440 1.651) 3.668 4.964 ( 4.719 3.507 1.215) 6.004 5.032 ( -0.439 -2.431 -2.956) 3.852 5.071 ( -2.954 0.111 -2.779) 4.057 5.137 ( -0.125 2.665 -8.214) 8.637 5.251 ( -0.011 0.441 -4.972) 4.992 5.447 ( -0.834 -0.321 0.092) 0.898 5.645 ( 2.519 0.600 3.063) 4.011 5.701 ( 8.160 -1.288 6.662) 10.612 5.972 ( 11.085 -6.418 0.752) 12.831 6.307 ( 1.608 0.412 4.646) 4.934 6.338 ( 0.004 -1.148 2.929) 3.146 8.549 ( 0.056 2.097 -2.135) 2.993 8.708 ( -3.279 -1.481 -5.079) 6.224 10.363 ( 0.593 0.163 -1.046) 1.213 10.399 ( 0.258 -0.543 -1.930) 2.022 11.129 ( 1.346 -0.379 1.346) 1.941 11.137 ( 0.123 -0.521 -0.163) 0.560 11.369 ( 0.228 0.190 2.174) 2.194 11.409 ( 0.910 -0.541 2.015) 2.276 14.515 ( -0.795 0.436 -4.220) 4.316 14.594 ( -1.226 -1.683 -7.154) 7.451 14.702 ( -1.925 0.960 -1.809) 2.810 14.782 ( -1.789 -0.485 -0.404) 1.897 14.827 ( -0.586 0.198 0.361) 0.716 14.886 ( -0.478 -1.079 -0.254) 1.207 14.956 ( -0.077 3.152 -0.937) 3.289 15.099 ( 1.194 -1.007 0.271) 1.585 15.426 ( -1.276 1.607 2.319) 3.097 15.489 ( -0.667 0.113 -1.336) 1.497 16.779 ( 0.010 0.558 3.618) 3.661 16.823 ( 1.239 -0.447 2.859) 3.148 20.305 ( 0.220 0.320 0.153) 0.418 20.320 ( -1.350 0.128 -2.389) 2.747 21.840 ( -0.032 0.088 -0.223) 0.242 21.843 ( 0.101 0.087 -0.080) 0.156 23.126 ( 0.149 0.409 1.308) 1.378 23.158 ( 0.369 -0.303 1.063) 1.165 28.217 ( -0.640 0.136 -1.346) 1.497 28.236 ( 0.910 -0.262 0.672) 1.161 28.930 ( 0.105 0.816 0.046) 0.824 29.012 ( -0.012 -1.099 0.332) 1.149 32.786 ( 0.606 1.854 -0.734) 2.084 32.905 ( 1.343 -0.028 0.021) 1.343 33.128 ( 0.992 1.448 3.578) 3.985 33.211 ( 3.410 0.271 -2.055) 3.991 33.643 ( -5.090 0.296 3.309) 6.078 33.757 ( -1.496 -2.051 -0.795) 2.661 34.369 ( -0.546 2.053 -4.765) 5.217 34.604 ( 1.492 -3.804 2.140) 4.613 ======================= Grid point 61 (32/96) ======================= q-point: (-0.22 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -13.148 4.088 -2.413) 13.979 1.192 ( -16.037 13.413 4.279) 21.341 1.378 ( 2.877 7.479 4.362) 9.123 1.505 ( -9.399 9.225 2.922) 13.490 1.976 ( 2.717 -11.913 3.956) 12.843 2.140 ( -26.454 3.555 16.669) 31.469 2.202 ( -13.156 -6.882 3.744) 15.313 2.265 ( -3.306 -4.653 7.604) 9.508 2.444 ( -11.159 -2.520 2.641) 11.741 2.569 ( 0.274 1.887 -5.070) 5.417 2.796 ( 1.521 6.512 -3.136) 7.386 2.866 ( 7.092 0.741 0.081) 7.131 2.994 ( 2.574 -3.497 -8.093) 9.184 3.063 ( 3.761 4.467 0.695) 5.880 3.158 ( 4.043 -2.441 -1.653) 5.003 3.202 ( 1.245 -2.519 -2.210) 3.575 3.241 ( 1.018 -1.218 -0.723) 1.744 3.335 ( 4.775 -2.320 3.373) 6.289 3.415 ( 0.240 -0.522 -0.060) 0.578 3.498 ( -3.465 0.994 1.119) 3.775 3.570 ( 2.532 0.548 1.212) 2.860 3.605 ( -0.462 1.495 -4.885) 5.130 3.654 ( 1.117 2.818 1.654) 3.453 3.744 ( 0.707 -5.682 -1.586) 5.942 3.794 ( -0.128 2.172 6.504) 6.859 3.836 ( 0.399 -1.735 2.547) 3.107 3.906 ( -0.823 2.135 -1.159) 2.565 3.971 ( -4.976 -0.196 -4.101) 6.451 4.042 ( -0.943 -0.825 -2.715) 2.990 4.161 ( -3.029 -2.413 -0.645) 3.926 4.295 ( -3.905 -3.988 4.627) 7.250 4.335 ( 2.637 -4.351 3.147) 5.982 4.487 ( -0.776 7.209 1.842) 7.481 4.552 ( -1.507 3.616 3.480) 5.240 4.849 ( 1.678 -0.447 -0.422) 1.787 4.968 ( -4.190 0.379 -2.033) 4.672 5.022 ( -1.295 1.187 -1.852) 2.552 5.063 ( 1.049 0.275 -3.724) 3.879 5.118 ( 2.591 4.582 -5.890) 7.899 5.239 ( 1.025 7.583 -4.332) 8.793 5.409 ( -2.519 -0.068 -1.709) 3.045 5.707 ( 3.291 -0.285 1.564) 3.655 5.787 ( 1.710 -0.162 1.973) 2.616 6.243 ( 10.778 -6.301 2.246) 12.685 6.345 ( 1.354 -0.584 4.731) 4.955 6.386 ( 6.262 -6.592 4.475) 10.134 8.553 ( 0.774 0.891 -0.048) 1.181 8.637 ( -2.453 -0.784 -4.313) 5.024 10.378 ( 1.232 0.310 -0.613) 1.410 10.403 ( 0.664 -0.074 -1.228) 1.398 11.130 ( -0.080 -0.225 -0.232) 0.333 11.172 ( 2.065 -0.853 0.958) 2.431 11.372 ( -0.591 0.337 0.984) 1.196 11.429 ( 0.622 -0.655 1.223) 1.520 14.493 ( -0.168 -0.329 -3.078) 3.101 14.551 ( -1.026 -1.682 -6.126) 6.435 14.671 ( -0.704 2.239 -0.291) 2.365 14.762 ( -0.356 0.791 0.690) 1.109 14.818 ( -0.356 0.152 0.478) 0.615 14.895 ( 1.507 -0.906 0.118) 1.762 14.951 ( 0.122 3.099 -1.135) 3.303 15.109 ( -0.285 -1.559 0.703) 1.734 15.382 ( -4.051 1.661 2.031) 4.826 15.457 ( -2.269 -0.399 -2.309) 3.261 16.782 ( -0.774 0.735 2.137) 2.389 16.849 ( 0.725 -0.757 1.863) 2.138 20.300 ( 0.487 0.879 2.620) 2.806 20.342 ( 2.768 0.448 2.450) 3.724 21.839 ( -0.001 0.126 -0.186) 0.225 21.845 ( 0.055 0.057 -0.051) 0.094 23.133 ( 0.095 0.413 1.147) 1.222 23.167 ( 0.194 -0.358 0.900) 0.987 28.205 ( -0.096 0.570 -0.940) 1.103 28.259 ( 1.213 -0.626 1.164) 1.794 28.934 ( 0.230 0.791 0.074) 0.827 29.009 ( -0.453 -0.983 0.506) 1.195 32.812 ( 2.471 4.126 -0.651) 4.853 32.922 ( 0.651 2.799 -0.072) 2.874 33.146 ( -0.465 0.191 4.086) 4.117 33.293 ( 5.525 -2.310 -3.409) 6.891 33.548 ( -5.058 2.011 2.114) 5.839 33.740 ( -0.022 -2.364 -1.169) 2.638 34.315 ( -3.367 2.162 -5.436) 6.750 34.634 ( 0.278 -7.154 2.154) 7.476 ======================= Grid point 62 (33/96) ======================= q-point: (-0.11 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -8.535 17.644 12.659) 23.332 0.911 ( -14.935 18.441 12.465) 26.805 1.295 ( -5.436 13.732 4.017) 15.305 1.596 ( -28.751 18.911 26.075) 43.175 1.646 ( 7.274 2.162 0.332) 7.596 1.909 ( -11.930 -7.554 8.815) 16.646 2.017 ( -3.823 -15.491 3.866) 16.418 2.264 ( -1.496 3.073 2.645) 4.322 2.326 ( -1.605 -8.144 -0.027) 8.300 2.612 ( 4.275 5.472 -2.329) 7.324 2.815 ( 3.532 4.812 -6.173) 8.587 2.989 ( 2.885 -6.114 -4.902) 8.350 3.056 ( 7.568 -1.831 -3.057) 8.364 3.130 ( 2.039 5.220 -1.587) 5.824 3.210 ( 1.305 -1.418 -2.533) 3.183 3.237 ( 3.385 -2.226 -1.999) 4.518 3.285 ( 3.608 -1.294 -0.127) 3.835 3.400 ( -2.701 1.399 0.398) 3.068 3.419 ( 2.665 -0.233 1.675) 3.156 3.442 ( -0.009 -0.945 -4.873) 4.964 3.514 ( -0.881 -0.652 0.750) 1.328 3.633 ( -0.093 1.208 -0.558) 1.334 3.708 ( 0.693 0.128 4.396) 4.452 3.740 ( -2.948 -0.629 -0.445) 3.047 3.785 ( 1.646 -3.899 2.357) 4.845 3.868 ( -2.029 2.802 1.377) 3.723 3.889 ( 4.190 -2.587 2.044) 5.332 3.943 ( 0.178 1.130 2.270) 2.542 4.003 ( -2.143 -0.612 -0.040) 2.229 4.085 ( -3.354 -4.212 -0.646) 5.423 4.228 ( -3.908 -3.605 4.541) 6.992 4.380 ( 0.124 -5.096 4.545) 6.830 4.461 ( -1.320 4.866 0.931) 5.127 4.530 ( -2.633 3.513 3.523) 5.629 4.876 ( 1.741 -0.374 -1.814) 2.542 4.901 ( -1.770 1.496 -2.090) 3.121 4.992 ( -0.760 2.995 -2.148) 3.763 5.045 ( 0.536 1.446 -4.356) 4.621 5.108 ( -2.586 5.022 -5.010) 7.551 5.275 ( 2.903 10.899 -3.384) 11.776 5.358 ( -1.627 -1.514 -4.967) 5.442 5.738 ( 0.031 -2.913 -3.659) 4.677 5.832 ( 2.034 3.133 1.048) 3.880 6.293 ( -1.150 -0.255 -3.765) 3.945 6.371 ( -0.298 -0.763 4.415) 4.491 6.586 ( 5.919 -16.100 1.095) 17.189 8.573 ( 0.473 -0.744 1.759) 1.968 8.598 ( -0.159 -0.629 -2.001) 2.104 10.404 ( 1.438 0.396 0.499) 1.573 10.418 ( 1.112 0.238 0.317) 1.180 11.133 ( 0.457 0.492 -0.148) 0.688 11.205 ( 1.082 -1.160 -0.241) 1.604 11.353 ( -1.315 1.010 0.204) 1.671 11.438 ( 0.107 -0.806 0.103) 0.820 14.492 ( 0.749 -1.305 -1.773) 2.325 14.526 ( 0.412 -1.625 -4.536) 4.836 14.685 ( 1.396 1.554 3.301) 3.906 14.775 ( 0.584 0.197 3.377) 3.433 14.836 ( 3.686 2.503 0.395) 4.473 14.921 ( 0.653 2.078 -0.058) 2.179 14.981 ( 3.665 -0.017 0.138) 3.668 15.099 ( -0.678 -2.510 1.571) 3.038 15.300 ( -4.571 1.786 1.507) 5.134 15.381 ( -5.211 -1.261 -2.651) 5.981 16.761 ( -1.495 1.127 -0.075) 1.874 16.859 ( -0.097 -0.818 0.439) 0.933 20.377 ( 4.167 -0.779 9.951) 10.816 20.468 ( 11.949 -1.547 15.695) 19.786 21.839 ( 0.070 0.089 -0.015) 0.114 21.844 ( -0.049 -0.017 -0.031) 0.061 23.135 ( -0.183 0.401 0.767) 0.885 23.170 ( -0.115 -0.399 0.657) 0.777 28.226 ( 2.824 0.124 3.331) 4.369 28.288 ( 1.506 -0.642 1.741) 2.390 28.938 ( 0.169 0.673 0.115) 0.703 28.998 ( -0.781 -0.750 0.273) 1.117 32.870 ( 2.880 4.330 -0.082) 5.201 32.950 ( 4.440 7.787 -2.662) 9.351 33.135 ( -1.788 -0.268 3.064) 3.558 33.352 ( 0.585 -4.151 -1.323) 4.396 33.513 ( 2.019 3.918 -0.784) 4.477 33.748 ( 1.073 -2.798 -0.358) 3.018 34.194 ( -8.831 3.087 -10.254) 13.880 34.562 ( -9.917 -10.644 -5.795) 15.660 ======================= Grid point 63 (34/96) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -5.864 18.483 13.323) 23.527 1.168 ( 0.775 22.973 9.923) 25.037 1.408 ( -2.976 -10.153 9.601) 14.287 1.565 ( -4.320 -6.830 2.787) 8.549 1.674 ( -1.344 5.155 6.411) 8.336 1.834 ( -0.135 2.963 12.584) 12.929 1.933 ( 5.515 6.186 4.733) 9.544 2.093 ( 2.768 -12.384 -0.882) 12.720 2.402 ( -4.408 17.653 5.297) 18.951 2.773 ( 3.255 0.381 -4.251) 5.368 2.845 ( 0.150 -6.443 -6.678) 9.280 2.881 ( -6.592 -19.018 2.486) 20.281 2.978 ( 2.549 9.136 -3.331) 10.053 3.120 ( 1.366 -4.477 -3.352) 5.758 3.263 ( 1.464 1.156 -0.150) 1.871 3.286 ( 1.432 2.002 0.099) 2.464 3.306 ( 2.347 0.951 0.121) 2.535 3.347 ( 1.643 -4.839 4.656) 6.913 3.403 ( 2.044 -1.858 -4.420) 5.213 3.422 ( 0.782 -1.678 1.009) 2.108 3.541 ( -0.961 0.275 -0.453) 1.097 3.570 ( 2.253 -2.676 0.913) 3.615 3.698 ( -2.611 1.704 -2.916) 4.269 3.718 ( -2.082 -0.153 -4.026) 4.535 3.757 ( -5.104 1.979 2.117) 5.870 3.836 ( -2.893 -4.743 1.921) 5.879 3.918 ( 3.865 1.122 1.035) 4.156 3.976 ( 6.961 -2.944 1.175) 7.649 4.009 ( -0.142 2.218 3.309) 3.986 4.061 ( 2.874 -2.617 5.536) 6.764 4.241 ( 2.035 4.572 9.143) 10.423 4.327 ( 1.436 -3.909 10.172) 10.992 4.487 ( -3.431 2.719 0.641) 4.424 4.510 ( -4.673 0.736 2.420) 5.314 4.888 ( 1.415 -0.366 -2.989) 3.328 4.890 ( 0.944 -0.470 -1.783) 2.071 5.043 ( -0.535 2.648 0.794) 2.816 5.084 ( 2.232 -1.081 -1.566) 2.933 5.170 ( 0.283 3.896 -7.341) 8.316 5.244 ( -1.850 -3.375 -7.136) 8.107 5.498 ( 0.963 8.415 -9.391) 12.646 5.622 ( -0.029 -4.772 -10.167) 11.231 5.928 ( -5.675 7.553 -7.009) 11.764 6.073 ( -9.697 -6.084 -12.069) 16.634 6.391 ( 0.274 2.061 6.641) 6.959 6.449 ( -0.427 -3.622 7.345) 8.200 8.593 ( 2.105 1.211 1.020) 2.634 8.617 ( 3.164 -1.163 1.459) 3.673 10.441 ( 0.966 0.545 1.457) 1.831 10.448 ( 1.205 -0.092 1.637) 2.035 11.152 ( -0.672 1.260 -0.946) 1.713 11.180 ( -0.716 -1.530 -1.098) 2.015 11.365 ( -0.724 1.620 -0.039) 1.775 11.400 ( -0.885 -1.890 -0.462) 2.138 14.496 ( 1.690 0.252 -2.612) 3.122 14.512 ( 2.161 -1.317 -3.063) 3.973 14.727 ( -0.196 1.205 2.413) 2.704 14.753 ( -0.667 -1.412 2.437) 2.894 14.927 ( -0.599 1.420 -0.515) 1.625 14.951 ( -0.873 -0.934 -0.844) 1.532 15.057 ( 2.947 1.113 3.529) 4.731 15.083 ( 3.077 -1.417 4.239) 5.426 15.268 ( -2.418 0.416 -0.398) 2.485 15.277 ( 0.417 -0.543 -0.792) 1.047 16.772 ( -0.869 1.913 -0.007) 2.101 16.815 ( -1.231 -2.198 -0.206) 2.527 20.487 ( 2.886 2.583 11.815) 12.433 20.584 ( 5.333 -8.225 16.167) 18.906 21.842 ( 0.167 0.082 0.097) 0.209 21.844 ( 0.161 -0.054 0.079) 0.187 23.145 ( -0.135 0.689 0.637) 0.948 23.159 ( -0.143 -0.651 0.566) 0.874 28.277 ( 1.057 0.352 2.965) 3.167 28.302 ( 1.638 -2.274 3.337) 4.358 28.956 ( 0.079 0.821 0.104) 0.831 28.973 ( -0.224 -0.793 -0.101) 0.830 32.953 ( -0.954 3.956 0.523) 4.103 33.027 ( -1.164 -3.356 0.783) 3.637 33.260 ( 5.769 2.407 -1.487) 6.425 33.297 ( 1.122 -1.671 0.176) 2.020 33.637 ( 2.400 3.593 0.129) 4.323 33.711 ( 2.101 -3.818 0.500) 4.386 34.055 ( -10.827 10.813 -14.553) 21.117 34.216 ( -6.460 -6.527 -7.924) 12.129 ======================= Grid point 64 (35/96) ======================= q-point: ( 0.11 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 12.220 18.009 7.867) 23.142 1.288 ( 7.916 17.419 10.725) 21.935 1.516 ( 1.726 -2.852 0.734) 3.413 1.532 ( 9.010 -9.493 8.172) 15.429 1.652 ( -4.361 8.637 6.890) 11.879 1.896 ( 1.311 -11.084 9.434) 14.614 2.019 ( 3.593 2.896 4.325) 6.325 2.087 ( -3.173 -6.629 -1.843) 7.577 2.386 ( 1.697 15.117 7.953) 17.165 2.734 ( -2.118 -0.413 -1.621) 2.699 2.801 ( -0.746 -13.999 -2.426) 14.227 2.855 ( 0.579 -6.664 -3.028) 7.342 3.035 ( 2.693 9.677 0.853) 10.081 3.151 ( 1.457 -1.847 -0.085) 2.354 3.260 ( -2.645 0.983 -0.513) 2.868 3.288 ( -1.807 1.456 1.409) 2.715 3.318 ( 1.521 1.634 1.379) 2.624 3.403 ( -0.289 -0.453 4.691) 4.722 3.416 ( -1.165 -1.224 -2.859) 3.321 3.446 ( 1.195 -0.905 -0.506) 1.582 3.539 ( 2.260 0.749 -2.089) 3.167 3.592 ( 0.614 -6.100 -0.496) 6.151 3.653 ( -1.784 0.035 1.287) 2.200 3.678 ( 0.166 -2.511 -0.181) 2.523 3.702 ( -0.046 2.222 1.510) 2.686 3.794 ( -2.487 -3.921 0.500) 4.670 3.965 ( 0.664 0.827 2.888) 3.077 4.004 ( -0.272 -1.377 0.689) 1.563 4.131 ( 4.315 -2.003 3.352) 5.819 4.142 ( 3.887 -3.220 4.423) 6.711 4.301 ( 0.260 3.695 8.893) 9.633 4.357 ( -2.722 -1.738 8.103) 8.723 4.462 ( 1.716 2.656 -0.033) 3.162 4.480 ( 3.170 0.163 0.116) 3.177 4.911 ( 1.338 -0.298 -2.004) 2.428 4.917 ( 1.895 -0.972 -1.442) 2.572 4.965 ( -5.059 5.196 -2.154) 7.565 5.064 ( -4.276 -4.762 -0.876) 6.460 5.204 ( 4.384 2.720 -6.893) 8.610 5.238 ( 3.162 -0.860 -7.882) 8.536 5.496 ( 1.214 7.701 -9.440) 12.243 5.597 ( -0.120 -2.782 -12.583) 12.887 5.749 ( -8.962 4.275 -8.385) 12.996 5.838 ( -8.563 -3.901 -10.217) 13.890 6.392 ( -2.198 1.915 6.604) 7.219 6.429 ( -3.236 -1.523 7.454) 8.267 8.641 ( 2.211 2.713 1.198) 3.699 8.689 ( 3.411 -1.840 1.718) 4.239 10.453 ( -0.341 0.748 1.706) 1.894 10.467 ( 0.036 -0.589 1.905) 1.995 11.129 ( -1.104 0.720 -0.801) 1.542 11.148 ( -1.801 -1.093 -1.331) 2.492 11.353 ( -0.578 1.035 -0.156) 1.196 11.381 ( -0.968 -1.642 -0.527) 1.978 14.525 ( 2.028 0.742 -2.392) 3.223 14.550 ( 2.557 -1.649 -3.166) 4.392 14.736 ( 0.384 0.422 2.460) 2.525 14.756 ( 0.382 -1.372 2.147) 2.576 14.893 ( -2.213 1.411 0.195) 2.632 14.917 ( -1.765 -0.945 -0.212) 2.013 15.091 ( -0.193 1.959 4.206) 4.644 15.123 ( -0.135 -1.112 4.059) 4.210 15.285 ( 3.482 2.328 -1.707) 4.523 15.332 ( 4.148 -2.518 -2.850) 5.627 16.760 ( -0.615 0.932 0.427) 1.195 16.788 ( -1.430 -1.641 0.029) 2.177 20.548 ( -0.557 3.360 11.884) 12.362 20.668 ( -1.989 -9.660 14.929) 17.892 21.847 ( 0.170 0.159 0.125) 0.264 21.850 ( 0.321 -0.144 0.176) 0.393 23.144 ( -0.241 0.568 0.714) 0.943 23.156 ( -0.304 -0.600 0.526) 0.854 28.288 ( -0.666 0.858 2.420) 2.653 28.328 ( -0.525 -3.678 4.165) 5.581 28.960 ( 0.185 0.501 0.318) 0.621 28.971 ( 0.122 -0.589 -0.174) 0.626 32.920 ( -2.485 3.780 -0.254) 4.530 32.990 ( -2.828 -3.103 -0.016) 4.198 33.289 ( -2.358 4.098 2.732) 5.461 33.350 ( 2.517 -2.746 1.999) 4.227 33.635 ( -2.739 5.048 1.122) 5.851 33.720 ( -1.115 -3.453 1.218) 3.828 33.958 ( 7.254 11.118 -16.621) 21.272 34.137 ( 1.840 -7.183 -11.251) 13.474 ======================= Grid point 65 (36/96) ======================= q-point: ( 0.22 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -7.056 10.775 2.980) 13.220 1.474 ( 4.662 6.909 2.525) 8.709 1.532 ( 13.142 7.517 5.668) 16.166 1.631 ( 5.774 6.058 7.304) 11.107 1.858 ( 16.777 -7.433 6.499) 19.467 1.953 ( 0.621 -9.559 7.358) 12.079 2.008 ( 0.448 -2.874 -0.614) 2.973 2.115 ( 5.772 -9.441 0.894) 11.101 2.529 ( 10.036 12.473 7.971) 17.884 2.744 ( 2.115 0.663 -0.003) 2.216 2.827 ( 3.963 -9.082 -1.050) 9.964 2.849 ( -0.676 -4.059 -0.165) 4.119 3.027 ( -4.116 6.047 -0.608) 7.340 3.112 ( -7.303 -2.747 -0.066) 7.803 3.185 ( -4.805 5.106 0.249) 7.016 3.228 ( -3.110 1.392 1.089) 3.578 3.338 ( -4.506 1.720 0.340) 4.835 3.368 ( 3.656 6.558 1.326) 7.624 3.401 ( -0.178 -2.977 1.100) 3.179 3.478 ( 1.300 -2.673 0.562) 3.025 3.553 ( -2.478 0.280 4.303) 4.973 3.625 ( -2.879 -5.019 0.904) 5.856 3.646 ( 4.986 -0.914 -0.161) 5.072 3.676 ( 0.715 -4.908 -3.213) 5.910 3.767 ( 4.456 -0.847 3.488) 5.722 3.790 ( 4.187 -0.740 0.132) 4.254 3.980 ( -0.411 0.330 2.599) 2.652 4.006 ( 0.166 -1.894 -0.105) 1.904 4.127 ( -3.712 2.272 4.194) 6.044 4.184 ( -0.909 -3.319 4.210) 5.437 4.333 ( 0.491 2.380 2.659) 3.602 4.361 ( 3.098 -0.287 5.776) 6.561 4.509 ( 0.067 3.485 0.171) 3.490 4.546 ( 1.660 -0.708 2.400) 3.003 4.866 ( -2.812 2.483 -1.205) 3.940 4.927 ( 0.412 -2.175 -1.013) 2.434 4.956 ( 2.146 -0.048 -4.241) 4.754 4.991 ( -1.393 -2.708 -5.169) 5.999 5.240 ( 0.505 2.647 -7.179) 7.668 5.263 ( 1.551 -0.091 -5.660) 5.869 5.434 ( -4.774 4.642 -9.067) 11.249 5.497 ( -5.330 -1.480 -11.070) 12.375 5.632 ( -0.087 6.014 -2.991) 6.717 5.763 ( 1.132 -6.408 -5.028) 8.224 6.359 ( -3.107 1.742 5.709) 6.730 6.391 ( -2.910 -1.470 6.567) 7.332 8.673 ( 0.844 3.695 0.202) 3.796 8.743 ( 1.740 -2.960 0.824) 3.531 10.440 ( -1.435 0.723 1.290) 2.061 10.458 ( -1.331 -1.090 1.204) 2.100 11.108 ( -0.895 0.512 -0.635) 1.211 11.123 ( -0.457 -0.880 -0.339) 1.048 11.342 ( -0.508 0.767 0.161) 0.934 11.362 ( -0.799 -1.233 -0.104) 1.473 14.553 ( 1.779 1.104 -2.878) 3.559 14.582 ( 2.047 -1.723 -3.896) 4.726 14.754 ( 0.716 0.594 2.026) 2.229 14.781 ( 1.230 -1.959 2.336) 3.288 14.865 ( -0.717 1.737 0.829) 2.054 14.894 ( -0.682 -1.101 0.486) 1.383 15.089 ( -1.168 2.338 3.060) 4.024 15.121 ( -1.121 -0.821 2.292) 2.680 15.342 ( 3.034 2.399 -2.803) 4.777 15.386 ( 2.848 -2.017 -3.644) 5.046 16.749 ( -0.598 0.613 0.351) 0.926 16.766 ( -1.000 -1.013 1.249) 1.894 20.537 ( -3.873 2.773 9.083) 10.256 20.621 ( -6.241 -5.917 10.105) 13.269 21.848 ( -0.028 0.281 0.073) 0.292 21.853 ( -0.009 -0.214 0.140) 0.256 23.139 ( -0.477 0.457 0.771) 1.015 23.150 ( -0.588 -0.477 0.641) 0.992 28.272 ( -1.458 1.213 1.571) 2.463 28.311 ( -2.097 -2.919 2.972) 4.664 28.963 ( -0.072 0.417 0.441) 0.611 28.974 ( 0.131 -0.621 -0.129) 0.648 32.866 ( -2.803 3.151 -0.465) 4.242 32.926 ( -3.653 -2.603 -0.200) 4.490 33.239 ( -3.043 7.777 2.202) 8.636 33.356 ( -2.723 -4.564 3.223) 6.216 33.617 ( 1.043 4.783 1.643) 5.164 33.718 ( 0.608 -5.152 1.323) 5.354 34.108 ( 11.224 5.211 -12.625) 17.678 34.202 ( 7.539 -4.331 -9.457) 12.847 ======================= Grid point 66 (37/96) ======================= q-point: ( 0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -9.199 11.131 2.230) 14.611 1.443 ( -4.412 -6.465 -2.300) 8.158 1.804 ( 10.177 -1.249 4.839) 11.338 1.811 ( 7.617 2.197 4.442) 9.088 1.965 ( 4.713 7.941 5.036) 10.518 2.098 ( 6.352 -0.816 5.197) 8.247 2.192 ( 12.931 -4.002 6.406) 14.976 2.275 ( 8.751 -11.486 4.114) 15.015 2.705 ( 0.842 6.839 0.930) 6.954 2.773 ( 4.097 2.794 -2.865) 5.727 2.826 ( -1.657 -4.033 -0.369) 4.375 2.921 ( -5.031 0.505 -1.283) 5.216 2.924 ( -0.469 0.674 -2.090) 2.246 2.932 ( -3.152 -5.417 -0.913) 6.334 3.099 ( -3.947 4.472 2.745) 6.567 3.194 ( -1.993 0.085 1.263) 2.361 3.259 ( -3.452 1.451 0.320) 3.758 3.363 ( -3.748 -6.463 -1.012) 7.539 3.448 ( -1.142 1.692 -0.229) 2.055 3.483 ( 5.652 2.745 0.813) 6.336 3.540 ( -0.691 -2.196 2.919) 3.718 3.616 ( 4.258 -3.672 1.152) 5.739 3.698 ( 0.332 1.400 1.939) 2.415 3.745 ( 3.352 -2.890 1.261) 4.602 3.843 ( 2.457 2.871 -0.939) 3.894 3.887 ( 4.069 0.982 -0.329) 4.199 3.970 ( -0.619 1.304 2.520) 2.904 3.995 ( 0.545 -1.253 1.119) 1.766 4.103 ( 0.034 2.871 4.140) 5.038 4.182 ( 0.340 -4.382 3.706) 5.749 4.365 ( 0.959 3.529 2.317) 4.329 4.410 ( -2.085 0.775 -0.886) 2.395 4.468 ( -0.350 2.776 3.606) 4.564 4.530 ( -3.777 -3.184 5.677) 7.525 4.822 ( -2.799 3.198 -1.373) 4.466 4.911 ( -2.952 -4.245 -3.181) 6.071 4.980 ( 1.927 0.219 -2.955) 3.534 5.000 ( 3.817 -0.755 -3.871) 5.488 5.189 ( -2.862 1.436 -4.820) 5.787 5.223 ( -3.548 -1.926 -5.306) 6.667 5.356 ( -0.251 3.344 -4.027) 5.240 5.412 ( -0.703 -2.044 -5.708) 6.103 5.660 ( 2.506 6.595 -2.267) 7.410 5.779 ( 1.457 -5.119 -3.606) 6.429 6.320 ( -2.524 2.157 4.439) 5.543 6.360 ( -2.390 -1.889 5.214) 6.038 8.675 ( -0.362 4.163 -1.100) 4.321 8.760 ( 0.214 -4.161 -0.726) 4.230 10.412 ( -1.664 0.616 0.510) 1.846 10.430 ( -1.681 -1.198 0.202) 2.074 11.097 ( -0.169 1.056 -0.031) 1.070 11.121 ( 0.097 -1.301 0.039) 1.306 11.338 ( -0.099 0.635 1.009) 1.197 11.352 ( -0.309 -0.840 0.752) 1.169 14.573 ( 1.419 1.328 -3.905) 4.362 14.605 ( 1.744 -1.849 -4.701) 5.344 14.771 ( 0.405 0.984 1.467) 1.812 14.805 ( 0.487 -2.366 1.964) 3.113 14.866 ( 0.278 1.571 1.022) 1.895 14.893 ( 0.168 -1.007 0.820) 1.310 15.064 ( -2.054 2.163 0.854) 3.103 15.093 ( -2.041 -0.733 -0.015) 2.169 15.385 ( 2.519 2.382 -2.114) 4.060 15.426 ( 2.423 -1.653 -2.416) 3.801 16.745 ( 0.012 0.648 1.045) 1.230 16.758 ( -0.428 -0.600 1.992) 2.124 20.472 ( -5.055 1.938 5.224) 7.523 20.521 ( -6.391 -3.088 5.278) 8.845 21.846 ( -0.149 0.251 0.005) 0.292 21.851 ( -0.254 -0.160 0.028) 0.302 23.133 ( -0.498 0.369 0.958) 1.141 23.141 ( -0.533 -0.365 0.757) 0.995 28.249 ( -1.261 1.146 0.768) 1.869 28.278 ( -1.990 -1.826 1.596) 3.137 28.960 ( -0.328 0.659 0.379) 0.828 28.976 ( 0.158 -0.897 -0.183) 0.929 32.822 ( -1.599 1.625 -0.251) 2.293 32.861 ( -2.984 -1.987 -0.303) 3.598 33.197 ( -1.990 6.602 1.082) 6.980 33.294 ( -4.094 -3.254 2.429) 5.767 33.663 ( 2.353 3.014 2.606) 4.628 33.742 ( 0.930 -4.799 2.421) 5.455 34.263 ( 8.528 3.607 -8.944) 12.874 34.331 ( 8.091 -3.165 -6.884) 11.085 ======================= Grid point 67 (38/96) ======================= q-point: ( 0.44 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -5.282 11.388 0.583) 12.567 1.363 ( -2.092 -13.345 -4.437) 14.218 1.872 ( 0.070 4.747 1.748) 5.059 1.935 ( 1.737 -3.812 1.752) 4.540 2.126 ( 5.823 6.419 7.258) 11.304 2.215 ( 1.641 1.250 8.320) 8.572 2.370 ( 3.377 -3.232 7.187) 8.573 2.397 ( 1.859 -7.953 3.864) 9.036 2.651 ( -1.075 6.501 -2.742) 7.138 2.754 ( -3.966 -2.139 -5.958) 7.470 2.790 ( -1.683 -2.723 1.222) 3.426 2.805 ( -1.324 0.054 -2.554) 2.877 2.911 ( 1.716 0.749 -4.319) 4.707 2.976 ( -0.401 -1.439 -3.353) 3.670 3.084 ( 1.127 -2.302 3.033) 3.971 3.102 ( -4.242 -3.100 0.518) 5.279 3.265 ( 1.835 3.479 0.242) 3.941 3.311 ( -1.799 0.081 -0.194) 1.812 3.445 ( -0.508 -1.049 1.334) 1.772 3.498 ( -0.102 -5.861 -0.104) 5.863 3.640 ( 5.053 4.006 0.939) 6.516 3.669 ( -2.292 2.048 1.216) 3.305 3.709 ( 1.806 0.372 2.492) 3.100 3.745 ( -1.427 -3.618 -1.842) 4.303 3.841 ( -0.837 3.329 -1.019) 3.581 3.893 ( -0.858 -1.326 -1.912) 2.480 4.037 ( 4.984 7.162 2.481) 9.072 4.102 ( 7.379 0.511 5.668) 9.318 4.131 ( 1.292 2.455 2.228) 3.558 4.194 ( -1.447 -2.164 1.235) 2.882 4.311 ( -4.781 3.532 3.083) 6.696 4.366 ( -2.740 -0.851 1.527) 3.250 4.464 ( -0.289 4.718 2.934) 5.563 4.577 ( 5.002 -5.199 3.634) 8.078 4.725 ( -3.854 1.050 0.562) 4.033 4.812 ( -6.945 -5.819 -0.863) 9.102 4.999 ( 1.008 1.863 -2.462) 3.248 5.053 ( 1.775 -3.160 -2.877) 4.627 5.141 ( 0.372 2.647 -1.663) 3.148 5.191 ( 1.060 -2.351 -1.805) 3.148 5.367 ( 2.037 2.333 -1.907) 3.637 5.409 ( 1.438 -1.827 -3.446) 4.157 5.693 ( 1.658 5.898 -2.003) 6.445 5.793 ( 1.176 -3.960 -2.804) 4.993 6.295 ( -1.385 2.028 3.465) 4.247 6.334 ( -1.914 -1.835 4.069) 4.857 8.657 ( -0.895 4.419 -2.317) 5.069 8.749 ( -0.875 -4.691 -2.414) 5.348 10.385 ( -1.157 0.582 -0.365) 1.346 10.402 ( -1.134 -1.134 -0.728) 1.762 11.099 ( 0.231 1.081 0.454) 1.195 11.123 ( 0.056 -1.295 0.115) 1.301 11.345 ( 0.372 0.537 1.984) 2.089 11.357 ( 0.338 -0.626 1.761) 1.899 14.580 ( 0.609 1.511 -4.789) 5.058 14.614 ( 0.807 -1.977 -5.557) 5.953 14.773 ( -0.581 1.046 0.593) 1.335 14.807 ( -0.765 -2.359 1.102) 2.714 14.871 ( -0.235 1.582 0.607) 1.711 14.898 ( -0.105 -1.141 0.877) 1.443 15.026 ( -1.521 2.119 -1.098) 2.830 15.058 ( -1.073 -0.980 -1.428) 2.037 15.426 ( 2.142 2.249 -0.335) 3.124 15.462 ( 1.859 -1.302 -0.850) 2.423 16.756 ( 0.537 0.453 2.269) 2.375 16.763 ( 0.307 -0.224 2.505) 2.533 20.393 ( -4.161 1.427 1.789) 4.749 20.425 ( -4.777 -1.769 1.451) 5.297 21.844 ( -0.096 0.135 -0.065) 0.177 21.846 ( -0.225 -0.054 -0.070) 0.242 23.128 ( -0.277 0.416 1.136) 1.241 23.137 ( -0.144 -0.401 0.926) 1.019 28.232 ( -0.671 0.792 0.291) 1.078 28.250 ( -1.341 -0.990 0.555) 1.757 28.955 ( -0.270 1.066 0.178) 1.114 28.979 ( 0.184 -1.297 -0.154) 1.319 32.807 ( -0.260 0.054 0.135) 0.298 32.819 ( -0.971 -1.094 -0.530) 1.556 33.172 ( -0.921 4.693 0.645) 4.826 33.233 ( -2.762 -1.435 1.276) 3.364 33.703 ( 0.817 1.683 2.731) 3.311 33.756 ( -0.432 -3.662 2.824) 4.644 34.371 ( 5.265 3.758 -5.762) 8.663 34.443 ( 5.407 -3.467 -4.718) 7.970 ======================= Grid point 68 (39/96) ======================= q-point: (-0.44 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.058 11.661 -2.529) 11.932 1.347 ( 2.018 -17.330 -6.275) 18.541 1.820 ( -5.837 7.178 0.978) 9.303 1.913 ( -4.704 -1.947 1.797) 5.399 2.144 ( -3.804 2.842 5.385) 7.180 2.162 ( -9.283 4.144 6.613) 12.128 2.364 ( -6.314 -6.057 8.058) 11.894 2.376 ( -4.081 -8.518 2.734) 9.833 2.677 ( 1.546 0.944 -4.732) 5.067 2.690 ( -1.065 0.193 -8.133) 8.205 2.787 ( 1.397 5.180 2.061) 5.747 2.827 ( 3.189 -1.631 1.747) 3.985 2.896 ( 0.865 0.732 -3.977) 4.136 2.996 ( 3.485 -6.327 0.207) 7.227 3.110 ( 3.107 0.271 2.221) 3.829 3.129 ( 2.020 -1.424 3.540) 4.317 3.245 ( -2.188 3.597 -3.709) 5.611 3.306 ( -0.190 -1.576 1.173) 1.974 3.424 ( -0.356 -0.168 -1.477) 1.528 3.496 ( -0.941 -4.055 1.662) 4.482 3.597 ( -4.051 2.139 -1.830) 4.933 3.664 ( -2.991 -3.644 -2.945) 5.559 3.695 ( -2.291 3.095 2.129) 4.400 3.733 ( -2.165 -0.810 3.150) 3.907 3.846 ( 1.716 4.817 -1.032) 5.217 3.893 ( 0.273 -0.099 -1.078) 1.117 4.048 ( -4.028 7.714 3.115) 9.243 4.128 ( -2.130 0.737 -1.320) 2.612 4.142 ( -2.933 2.081 -1.094) 3.759 4.205 ( -1.957 -2.416 2.934) 4.275 4.269 ( 0.482 0.861 6.077) 6.156 4.324 ( -2.414 -4.003 4.197) 6.282 4.493 ( 2.117 8.686 2.462) 9.273 4.611 ( -0.856 -0.727 3.715) 3.881 4.726 ( 3.409 0.603 0.923) 3.583 4.838 ( 9.374 -8.215 -1.753) 12.587 5.003 ( 0.443 2.020 -1.951) 2.843 5.062 ( 0.621 -3.536 -1.977) 4.098 5.168 ( 2.329 2.538 -3.671) 5.034 5.214 ( 1.376 -2.102 -2.881) 3.823 5.423 ( 3.436 1.111 2.567) 4.430 5.451 ( 4.633 -1.474 1.338) 5.043 5.708 ( 0.506 5.360 -1.149) 5.505 5.806 ( 1.065 -4.254 -2.383) 4.990 6.291 ( -0.039 1.249 3.457) 3.676 6.317 ( -0.968 -1.359 3.497) 3.875 8.631 ( -0.971 4.180 -3.117) 5.304 8.714 ( -1.721 -4.146 -3.793) 5.877 10.369 ( -0.231 0.586 -1.020) 1.199 10.386 ( -0.229 -1.056 -1.394) 1.764 11.108 ( 0.499 0.629 0.833) 1.157 11.123 ( 0.000 -0.953 0.193) 0.972 11.361 ( 0.556 0.550 2.503) 2.623 11.374 ( 0.713 -0.663 2.349) 2.543 14.564 ( -0.589 1.476 -5.148) 5.388 14.598 ( -0.608 -1.907 -6.034) 6.357 14.755 ( -1.321 1.118 -0.434) 1.784 14.786 ( -1.493 -2.057 0.162) 2.547 14.859 ( -1.007 1.476 -0.173) 1.795 14.886 ( -1.301 -1.227 0.132) 1.793 15.012 ( 0.289 2.514 -1.257) 2.826 15.053 ( 0.809 -1.574 -1.177) 2.125 15.458 ( 0.976 1.924 0.912) 2.342 15.486 ( 0.761 -0.862 -0.070) 1.152 16.775 ( 0.526 0.569 3.173) 3.266 16.784 ( 0.898 -0.374 2.938) 3.095 20.335 ( -2.156 1.008 -0.268) 2.396 20.355 ( -2.694 -1.025 -0.949) 3.034 21.843 ( -0.061 0.058 -0.124) 0.150 21.843 ( 0.024 0.024 -0.147) 0.151 23.130 ( 0.069 0.545 1.198) 1.318 23.141 ( 0.204 -0.504 1.064) 1.195 28.226 ( -0.092 0.256 0.119) 0.297 28.231 ( -0.713 -0.315 -0.168) 0.798 28.952 ( -0.045 1.370 0.055) 1.372 28.982 ( 0.171 -1.578 -0.026) 1.587 32.804 ( 0.539 1.055 0.002) 1.185 32.833 ( 2.017 -1.851 -0.053) 2.738 33.165 ( -0.062 3.197 0.646) 3.263 33.202 ( -0.690 -0.412 0.042) 0.805 33.705 ( -1.625 0.989 2.589) 3.213 33.741 ( -1.853 -2.703 1.961) 3.819 34.425 ( 2.100 3.773 -3.670) 5.667 34.502 ( 2.144 -3.882 -2.313) 5.002 ======================= Grid point 69 (40/96) ======================= q-point: (-0.33 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 5.599 11.061 -4.390) 13.151 1.378 ( 2.274 -15.562 -5.325) 16.604 1.682 ( -8.607 10.682 2.083) 13.876 1.792 ( -6.962 1.955 2.808) 7.757 1.950 ( -13.789 8.194 4.572) 16.679 2.097 ( -4.005 -6.936 5.716) 9.840 2.227 ( -8.672 -7.291 7.092) 13.366 2.283 ( -6.514 -9.158 2.702) 11.558 2.633 ( -3.003 1.540 -1.842) 3.844 2.660 ( -0.968 -1.102 -2.747) 3.114 2.841 ( 1.619 4.100 0.723) 4.467 2.872 ( 0.349 0.153 1.875) 1.913 2.954 ( 3.646 1.715 -1.881) 4.447 3.035 ( 0.061 -4.563 0.053) 4.564 3.151 ( 0.081 2.339 4.753) 5.298 3.160 ( 0.152 2.337 -0.275) 2.358 3.237 ( 2.134 1.431 -2.361) 3.489 3.290 ( -1.307 -2.833 -1.145) 3.323 3.446 ( -0.123 2.468 1.792) 3.053 3.490 ( 1.123 -0.829 1.234) 1.864 3.518 ( -0.543 0.207 -2.002) 2.085 3.544 ( -5.205 -2.997 -1.027) 6.094 3.659 ( -0.464 1.893 -0.458) 2.002 3.722 ( -0.755 -2.667 1.882) 3.350 3.859 ( -1.872 2.789 3.187) 4.630 3.871 ( -2.148 2.100 2.015) 3.617 4.006 ( -1.584 3.046 0.270) 3.444 4.043 ( -3.558 -0.191 -6.682) 7.573 4.090 ( -6.967 -1.584 -1.825) 7.374 4.115 ( -0.131 -3.039 -0.449) 3.075 4.282 ( -2.227 -0.438 4.288) 4.851 4.310 ( -1.402 -1.249 5.191) 5.520 4.559 ( 3.085 5.895 4.309) 7.927 4.622 ( 0.442 0.106 5.229) 5.249 4.829 ( 3.625 4.020 -1.408) 5.593 4.943 ( 1.557 -6.211 -2.542) 6.889 5.029 ( 3.381 2.627 -0.480) 4.309 5.067 ( -0.226 -1.060 -0.989) 1.467 5.189 ( 1.946 2.541 -8.424) 9.011 5.234 ( 3.566 -2.004 -8.508) 9.440 5.501 ( 3.959 5.710 4.467) 8.261 5.612 ( 8.582 -4.467 5.927) 11.346 5.717 ( 1.609 3.542 1.870) 4.316 5.827 ( 2.876 -7.406 -1.515) 8.088 6.312 ( 0.871 0.188 3.974) 4.072 6.319 ( -0.008 -0.624 3.443) 3.499 8.603 ( -0.896 3.213 -3.204) 4.625 8.665 ( -2.129 -2.880 -4.423) 5.691 10.370 ( 0.730 0.597 -1.231) 1.550 10.385 ( 0.621 -0.835 -1.583) 1.895 11.123 ( 0.581 -0.088 0.827) 1.015 11.127 ( 0.565 -0.424 0.558) 0.900 11.378 ( 0.345 0.707 2.294) 2.425 11.394 ( 0.654 -0.885 2.209) 2.468 14.530 ( -1.168 1.188 -4.979) 5.250 14.560 ( -1.315 -1.736 -5.914) 6.302 14.729 ( -1.036 1.663 -0.681) 2.074 14.762 ( -0.912 -1.574 0.074) 1.821 14.840 ( -0.812 1.081 -0.302) 1.385 14.863 ( -0.755 -1.226 -0.236) 1.460 15.018 ( 0.444 2.969 -1.090) 3.194 15.068 ( 0.789 -2.131 -0.685) 2.373 15.461 ( -1.165 1.683 1.173) 2.359 15.485 ( -0.995 -0.665 -0.237) 1.220 16.793 ( 0.322 0.870 3.188) 3.320 16.810 ( 0.780 -0.802 2.896) 3.105 20.313 ( -0.162 0.459 -0.223) 0.536 20.320 ( -0.522 -0.207 -1.151) 1.281 21.842 ( 0.024 0.135 -0.184) 0.229 21.844 ( 0.083 -0.035 -0.167) 0.190 23.137 ( 0.230 0.641 1.141) 1.329 23.149 ( 0.316 -0.582 1.034) 1.228 28.222 ( -0.217 0.331 -0.534) 0.665 28.229 ( 0.390 -0.400 0.199) 0.593 28.953 ( 0.119 1.468 0.061) 1.474 28.984 ( 0.069 -1.641 0.165) 1.651 32.834 ( 2.524 2.820 0.188) 3.789 32.884 ( 3.213 -2.101 0.373) 3.857 33.170 ( 0.217 2.465 0.726) 2.579 33.206 ( 1.211 -1.027 -1.216) 2.000 33.661 ( -3.538 1.679 2.107) 4.447 33.707 ( -1.989 -2.810 0.429) 3.470 34.427 ( -0.810 3.896 -2.631) 4.770 34.515 ( -0.237 -4.888 -0.043) 4.894 ======================= Grid point 70 (41/96) ======================= q-point: (-0.22 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 0.921 15.348 -0.036) 15.376 1.433 ( 6.759 -4.571 2.046) 8.413 1.512 ( -10.505 14.460 3.615) 18.235 1.682 ( -8.757 3.033 2.834) 9.691 1.755 ( -5.011 -0.987 3.602) 6.250 1.990 ( -8.269 -14.965 7.683) 18.745 2.085 ( -9.403 -2.434 3.310) 10.261 2.160 ( -9.273 -6.982 6.289) 13.201 2.534 ( -8.220 8.862 7.156) 14.046 2.634 ( -0.061 1.245 -0.338) 1.292 2.832 ( -0.407 0.524 1.534) 1.672 2.887 ( 2.196 -2.101 1.061) 3.219 2.994 ( 1.648 4.268 -6.854) 8.240 3.068 ( 4.218 -3.168 -1.094) 5.388 3.127 ( -0.228 0.007 -3.478) 3.485 3.164 ( 0.259 -2.470 -3.468) 4.265 3.265 ( 0.724 2.835 1.443) 3.262 3.293 ( 2.329 -1.316 2.480) 3.647 3.427 ( -1.177 2.376 -1.971) 3.304 3.489 ( -0.022 -1.458 -0.074) 1.460 3.553 ( 1.461 -1.291 2.054) 2.832 3.586 ( 3.114 -5.839 -1.054) 6.701 3.661 ( 1.949 3.158 0.503) 3.745 3.706 ( -1.143 -0.641 0.982) 1.638 3.811 ( -2.717 0.186 4.974) 5.671 3.830 ( -3.091 -0.289 3.526) 4.698 3.952 ( -1.675 1.518 -5.347) 5.805 3.979 ( -1.898 -0.315 -4.027) 4.463 4.019 ( -1.098 1.858 -0.015) 2.158 4.102 ( -2.555 -4.687 0.493) 5.361 4.238 ( -3.207 1.157 4.088) 5.324 4.287 ( -1.749 -2.584 4.015) 5.085 4.603 ( -0.127 3.721 2.543) 4.508 4.618 ( -2.461 2.123 3.296) 4.629 4.861 ( 1.142 2.043 -0.729) 2.451 4.924 ( -1.657 -3.640 -0.973) 4.116 5.040 ( -1.350 0.651 -1.866) 2.394 5.056 ( -0.676 -0.915 -2.050) 2.344 5.214 ( 2.623 4.554 -8.063) 9.624 5.285 ( 3.860 -2.517 -9.496) 10.555 5.557 ( 0.103 12.091 -1.592) 12.196 5.690 ( 0.959 -2.125 -1.211) 2.627 5.807 ( 6.164 3.679 5.456) 9.016 6.003 ( 13.416 -14.678 4.907) 20.482 6.333 ( 0.343 -0.024 3.499) 3.516 6.340 ( 0.544 -0.626 3.864) 3.952 8.579 ( -0.659 1.661 -2.230) 2.858 8.613 ( -1.848 -1.643 -3.809) 4.542 10.387 ( 1.331 0.577 -0.816) 1.664 10.398 ( 1.126 -0.445 -1.039) 1.595 11.133 ( 0.677 0.633 0.425) 1.020 11.151 ( 1.461 -1.133 0.757) 1.998 11.386 ( -0.193 1.067 1.475) 1.831 11.409 ( 0.285 -1.236 1.450) 1.927 14.497 ( -0.673 0.741 -4.374) 4.487 14.519 ( -0.966 -1.469 -5.231) 5.519 14.718 ( -0.027 2.397 0.714) 2.501 14.756 ( -0.036 -1.321 1.382) 1.912 14.835 ( 0.725 1.503 -0.085) 1.671 14.868 ( 1.556 -1.723 0.048) 2.322 15.016 ( -0.325 3.128 -1.175) 3.357 15.070 ( -0.491 -2.429 -0.466) 2.521 15.416 ( -3.890 1.648 0.764) 4.293 15.443 ( -3.353 -1.033 -0.788) 3.596 16.802 ( -0.345 1.275 2.070) 2.455 16.828 ( 0.265 -1.304 2.047) 2.442 20.322 ( 1.316 1.204 2.469) 3.046 20.341 ( 2.388 -0.609 2.420) 3.454 21.842 ( -0.005 0.172 -0.160) 0.235 21.844 ( 0.010 -0.083 -0.138) 0.161 23.144 ( 0.103 0.664 0.966) 1.177 23.157 ( 0.136 -0.639 0.856) 1.077 28.221 ( 0.361 1.008 -0.123) 1.078 28.242 ( 0.875 -1.050 0.606) 1.495 28.956 ( 0.086 1.367 0.114) 1.375 28.984 ( -0.177 -1.486 0.272) 1.521 32.895 ( 3.565 4.002 0.672) 5.401 32.949 ( 3.406 -0.906 0.525) 3.563 33.173 ( -0.155 2.689 0.413) 2.725 33.236 ( 2.337 -3.359 -2.338) 4.713 33.603 ( -2.456 3.555 0.855) 4.405 33.677 ( -0.880 -3.785 -0.434) 3.910 34.380 ( -3.419 4.454 -2.903) 6.321 34.490 ( -2.842 -6.843 0.104) 7.410 ======================= Grid point 71 (42/96) ======================= q-point: (-0.11 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -2.913 23.297 8.846) 25.090 1.294 ( -13.187 18.298 8.806) 24.212 1.521 ( -8.491 -1.448 6.539) 10.814 1.603 ( 2.024 -17.648 6.079) 18.775 1.715 ( -1.800 5.230 3.332) 6.457 1.828 ( -4.946 4.746 8.145) 10.646 1.924 ( -12.989 2.234 10.388) 16.782 2.038 ( 2.188 -14.493 -3.110) 14.983 2.458 ( -3.494 14.968 8.060) 17.355 2.681 ( 5.158 0.896 -1.357) 5.408 2.849 ( 1.587 -5.982 -4.337) 7.557 2.935 ( 0.818 -11.082 2.506) 11.391 2.975 ( -0.019 9.111 -6.554) 11.223 3.136 ( -0.082 -6.876 -6.249) 9.292 3.184 ( 6.429 -1.172 -0.783) 6.582 3.186 ( 5.612 -0.362 -1.391) 5.793 3.290 ( 0.715 2.043 1.728) 2.769 3.341 ( 0.487 -3.717 6.090) 7.151 3.388 ( -0.547 0.557 -2.058) 2.201 3.440 ( -3.890 -2.761 -2.549) 5.409 3.552 ( -0.030 2.528 -1.077) 2.747 3.578 ( -2.382 -1.767 -2.398) 3.814 3.723 ( 1.441 1.103 3.146) 3.632 3.734 ( 2.965 2.730 1.187) 4.202 3.781 ( -1.356 -1.245 -3.645) 4.084 3.816 ( 1.993 -3.962 0.606) 4.476 3.927 ( -2.856 2.914 0.364) 4.097 3.969 ( 0.599 -0.455 3.618) 3.695 3.999 ( -1.377 0.090 0.827) 1.608 4.014 ( -3.454 -2.141 1.876) 4.476 4.209 ( -1.129 2.551 6.061) 6.672 4.287 ( -0.030 -4.493 6.333) 7.765 4.556 ( -3.999 3.387 1.786) 5.536 4.580 ( -3.251 1.002 2.458) 4.197 4.876 ( 0.860 0.589 -1.693) 1.988 4.895 ( -0.925 -1.082 -0.942) 1.707 5.023 ( 0.698 0.988 -1.686) 2.075 5.047 ( 1.383 -1.150 -2.889) 3.403 5.212 ( -0.556 5.114 -6.617) 8.381 5.293 ( -0.284 -3.284 -7.066) 7.797 5.525 ( -1.027 10.243 -6.666) 12.264 5.665 ( -1.391 -4.895 -6.541) 8.288 5.951 ( 4.690 9.756 1.343) 10.908 6.189 ( 2.218 -12.444 -4.124) 13.296 6.357 ( 0.750 0.128 4.831) 4.890 6.382 ( 3.712 -3.043 6.884) 8.392 8.570 ( 0.279 0.361 -0.314) 0.554 8.583 ( 0.066 -0.808 -1.413) 1.629 10.413 ( 1.492 0.500 0.331) 1.608 10.420 ( 1.313 -0.111 0.281) 1.347 11.150 ( 0.854 1.237 -0.074) 1.505 11.178 ( 0.984 -1.501 -0.118) 1.798 11.379 ( -0.765 1.599 0.494) 1.840 11.412 ( -0.303 -1.676 0.356) 1.740 14.483 ( 0.553 0.269 -3.386) 3.441 14.498 ( 0.393 -1.162 -4.050) 4.231 14.724 ( -0.102 2.084 2.165) 3.007 14.759 ( -0.538 -1.397 2.490) 2.905 14.883 ( 4.152 2.254 0.848) 4.799 14.922 ( 3.473 -1.550 0.688) 3.865 15.008 ( 0.432 2.302 -0.414) 2.379 15.053 ( -0.815 -2.300 0.416) 2.475 15.330 ( -4.848 1.385 0.379) 5.056 15.356 ( -5.331 -1.288 -0.729) 5.533 16.792 ( -1.075 1.919 0.369) 2.231 16.831 ( -0.497 -1.920 0.761) 2.124 20.388 ( 3.645 1.626 8.548) 9.434 20.429 ( 5.350 -2.300 9.179) 10.871 21.841 ( -0.002 0.127 -0.036) 0.132 21.843 ( -0.063 -0.094 -0.049) 0.123 23.146 ( -0.125 0.666 0.722) 0.990 23.159 ( -0.101 -0.657 0.684) 0.953 28.240 ( 1.448 1.174 1.694) 2.519 28.266 ( 1.349 -1.407 1.457) 2.433 28.956 ( -0.040 1.119 0.095) 1.123 28.979 ( -0.405 -1.161 0.150) 1.239 32.949 ( 1.321 4.034 1.224) 4.417 33.013 ( 2.670 -1.734 0.658) 3.250 33.180 ( 2.104 4.741 -1.481) 5.394 33.271 ( 1.949 -4.324 -1.916) 5.115 33.593 ( 1.391 4.308 -0.429) 4.547 33.677 ( 1.061 -4.227 -0.440) 4.381 34.272 ( -7.051 4.846 -6.438) 10.707 34.387 ( -7.894 -7.175 -3.586) 11.254 ======================= Grid point 90 (43/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -4.414 0.000 23.300) 23.714 1.134 ( -0.112 0.000 27.113) 27.113 1.235 ( 4.689 0.000 9.051) 10.194 1.602 ( 0.289 0.000 -4.368) 4.377 1.758 ( -11.756 0.000 27.521) 29.926 2.049 ( 2.588 0.000 9.627) 9.968 2.144 ( -5.298 0.000 1.876) 5.620 2.368 ( 2.204 0.000 7.780) 8.086 2.489 ( 2.893 0.000 0.385) 2.919 2.594 ( 4.025 0.000 3.070) 5.063 2.736 ( -7.295 0.000 -4.554) 8.600 2.881 ( 3.203 0.000 -6.548) 7.289 3.016 ( 1.948 0.000 -11.412) 11.577 3.074 ( 7.535 0.000 -1.899) 7.771 3.145 ( -1.752 0.000 0.211) 1.764 3.249 ( 5.219 0.000 -6.683) 8.480 3.294 ( 1.968 0.000 -1.476) 2.460 3.410 ( -0.070 0.000 1.341) 1.343 3.452 ( -1.884 0.000 1.939) 2.703 3.495 ( 6.179 0.000 2.862) 6.810 3.549 ( 1.298 0.000 -0.538) 1.405 3.667 ( -5.990 0.000 4.574) 7.536 3.687 ( -4.388 0.000 3.503) 5.614 3.724 ( -1.424 0.000 -3.428) 3.712 3.896 ( 0.884 0.000 1.492) 1.734 3.988 ( 3.588 0.000 4.069) 5.425 4.020 ( 8.382 0.000 3.063) 8.924 4.046 ( -2.352 0.000 -3.338) 4.083 4.111 ( 8.230 0.000 -0.605) 8.252 4.188 ( -1.589 0.000 6.546) 6.736 4.260 ( 3.427 0.000 1.114) 3.604 4.442 ( -0.065 0.000 5.040) 5.040 4.453 ( -8.686 0.000 4.250) 9.670 4.664 ( 1.317 0.000 4.102) 4.308 4.736 ( 2.894 0.000 -4.486) 5.339 4.824 ( -4.260 0.000 -3.361) 5.426 4.904 ( 4.810 0.000 -1.791) 5.133 4.943 ( 0.889 0.000 1.370) 1.633 5.004 ( -0.161 0.000 0.719) 0.737 5.146 ( -0.139 0.000 -6.457) 6.458 5.264 ( 1.091 0.000 -1.045) 1.511 5.614 ( -5.029 0.000 -8.273) 9.682 5.665 ( -9.596 0.000 -10.504) 14.227 5.836 ( -7.616 0.000 -12.145) 14.336 6.487 ( -0.803 0.000 5.209) 5.271 6.609 ( -4.077 0.000 1.874) 4.487 8.581 ( -2.822 0.000 0.494) 2.865 8.608 ( 3.787 0.000 -0.504) 3.821 10.472 ( 1.221 0.000 2.545) 2.823 10.491 ( 1.924 0.000 2.420) 3.091 11.116 ( 0.074 0.000 -0.741) 0.745 11.164 ( -1.939 0.000 -2.631) 3.268 11.366 ( 0.035 0.000 1.274) 1.274 11.430 ( -0.635 0.000 -0.664) 0.918 14.475 ( 1.578 0.000 -2.948) 3.344 14.484 ( 0.661 0.000 -2.103) 2.205 14.784 ( 2.050 0.000 1.883) 2.783 14.835 ( 0.087 0.000 1.323) 1.326 14.878 ( 0.026 0.000 -0.635) 0.636 14.935 ( -0.898 0.000 -0.844) 1.232 15.096 ( 2.925 0.000 1.403) 3.244 15.168 ( 1.252 0.000 -3.433) 3.654 15.234 ( -3.195 0.000 2.201) 3.880 15.274 ( -0.050 0.000 -0.060) 0.078 16.812 ( -2.467 0.000 -0.715) 2.569 16.825 ( 4.366 0.000 2.027) 4.813 20.697 ( 2.180 0.000 13.082) 13.263 21.319 ( 10.483 0.000 -6.919) 12.560 21.842 ( 0.354 0.000 0.083) 0.363 21.843 ( -0.100 0.000 -0.016) 0.101 23.156 ( 1.246 0.000 1.121) 1.676 23.174 ( -0.855 0.000 0.263) 0.894 28.355 ( -1.174 0.000 3.360) 3.559 28.563 ( 9.685 0.000 -2.835) 10.091 28.954 ( 2.236 0.000 0.710) 2.346 28.982 ( -1.344 0.000 -0.425) 1.410 32.808 ( 2.294 0.000 0.729) 2.407 32.850 ( -1.543 0.000 -0.535) 1.633 33.146 ( -5.169 0.000 2.883) 5.919 33.352 ( -6.256 0.000 -3.272) 7.060 33.455 ( 0.938 0.000 3.725) 3.841 33.588 ( -6.000 0.000 0.114) 6.001 33.841 ( 2.684 0.000 2.840) 3.908 34.225 ( -6.645 0.000 -8.802) 11.029 ======================= Grid point 91 (44/96) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 2.239 0.000 15.619) 15.779 1.158 ( -1.319 0.000 24.380) 24.415 1.415 ( 10.087 0.000 12.356) 15.951 1.534 ( -4.693 0.000 -1.936) 5.077 1.885 ( 13.029 0.000 16.519) 21.039 2.099 ( -0.046 0.000 0.660) 0.662 2.172 ( 6.772 0.000 0.551) 6.794 2.462 ( -6.336 0.000 -12.720) 14.211 2.497 ( 7.188 0.000 14.913) 16.555 2.600 ( -1.660 0.000 5.501) 5.745 2.673 ( 1.907 0.000 4.785) 5.151 2.899 ( -1.292 0.000 -5.010) 5.174 3.007 ( 0.682 0.000 -6.199) 6.237 3.116 ( -0.927 0.000 -2.067) 2.265 3.186 ( 0.251 0.000 -3.372) 3.381 3.275 ( -1.867 0.000 0.650) 1.977 3.277 ( 2.178 0.000 -1.388) 2.583 3.385 ( -3.476 0.000 1.193) 3.675 3.405 ( 2.029 0.000 2.974) 3.600 3.554 ( 0.687 0.000 0.298) 0.749 3.617 ( 2.914 0.000 -0.600) 2.975 3.658 ( -1.902 0.000 -0.638) 2.006 3.663 ( 1.757 0.000 0.455) 1.815 3.709 ( 2.451 0.000 5.806) 6.302 3.906 ( -0.268 0.000 0.235) 0.357 3.996 ( -1.356 0.000 3.124) 3.405 4.087 ( -4.957 0.000 -1.058) 5.069 4.095 ( 5.933 0.000 -6.957) 9.143 4.163 ( 1.627 0.000 5.314) 5.557 4.213 ( 0.243 0.000 1.817) 1.833 4.316 ( -3.599 0.000 1.522) 3.908 4.321 ( 0.612 0.000 -0.665) 0.903 4.479 ( 0.413 0.000 5.411) 5.427 4.693 ( 1.106 0.000 5.258) 5.373 4.716 ( -2.179 0.000 -3.515) 4.135 4.841 ( 5.277 0.000 -3.782) 6.492 4.936 ( 0.343 0.000 1.610) 1.646 4.991 ( -1.534 0.000 -2.821) 3.211 5.067 ( 8.300 0.000 -2.104) 8.563 5.140 ( 1.704 0.000 -1.941) 2.583 5.265 ( -0.547 0.000 -4.215) 4.251 5.381 ( -11.683 0.000 -9.461) 15.034 5.506 ( -3.104 0.000 -4.235) 5.251 5.763 ( 0.109 0.000 -5.687) 5.688 6.461 ( -3.597 0.000 4.704) 5.922 6.539 ( -3.620 0.000 3.917) 5.333 8.564 ( 0.560 0.000 -1.188) 1.314 8.696 ( 5.261 0.000 0.279) 5.269 10.484 ( -0.709 0.000 1.840) 1.972 10.517 ( -0.053 0.000 1.263) 1.265 11.115 ( -2.170 0.000 -1.943) 2.913 11.122 ( 0.736 0.000 -0.337) 0.810 11.362 ( -0.677 0.000 1.127) 1.315 11.413 ( -0.968 0.000 -0.348) 1.028 14.488 ( 0.360 0.000 -2.489) 2.515 14.498 ( 1.867 0.000 -3.623) 4.076 14.823 ( 0.759 0.000 0.911) 1.186 14.858 ( 2.235 0.000 2.918) 3.675 14.860 ( -2.686 0.000 -0.141) 2.689 14.879 ( -1.841 0.000 -2.240) 2.899 15.108 ( -1.630 0.000 1.224) 2.038 15.149 ( -1.453 0.000 -0.646) 1.590 15.228 ( 1.280 0.000 1.024) 1.639 15.315 ( 3.212 0.000 -1.638) 3.606 16.763 ( -2.205 0.000 -0.537) 2.270 16.879 ( 0.354 0.000 1.936) 1.968 20.729 ( -3.023 0.000 11.158) 11.560 21.223 ( -13.759 0.000 -6.323) 15.143 21.842 ( -0.071 0.000 -0.036) 0.080 21.853 ( 0.503 0.000 -0.196) 0.540 23.159 ( -0.644 0.000 0.184) 0.670 23.181 ( 0.555 0.000 1.152) 1.279 28.321 ( -2.994 0.000 1.937) 3.565 28.586 ( -4.284 0.000 -2.984) 5.221 28.965 ( -0.166 0.000 -0.739) 0.758 29.004 ( 1.355 0.000 0.933) 1.645 32.821 ( -1.056 0.000 -1.256) 1.641 32.860 ( 2.818 0.000 1.393) 3.144 33.063 ( -4.455 0.000 1.816) 4.810 33.366 ( 10.441 0.000 -0.284) 10.445 33.517 ( 3.765 0.000 4.912) 6.189 33.592 ( 1.317 0.000 -0.453) 1.393 33.900 ( 2.376 0.000 4.660) 5.230 34.122 ( -1.125 0.000 -9.149) 9.218 ======================= Grid point 92 (45/96) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 4.254 0.000 5.121) 6.657 1.218 ( -2.177 0.000 7.662) 7.965 1.560 ( 10.629 0.000 9.425) 14.206 1.654 ( 10.523 0.000 12.082) 16.022 2.123 ( 1.492 0.000 0.502) 1.574 2.165 ( 8.740 0.000 7.491) 11.511 2.275 ( 6.158 0.000 -7.897) 10.014 2.340 ( -0.231 0.000 -11.287) 11.290 2.569 ( -4.435 0.000 2.641) 5.162 2.638 ( 3.354 0.000 1.272) 3.587 2.743 ( 3.885 0.000 17.136) 17.571 2.852 ( -1.038 0.000 0.542) 1.171 3.007 ( -1.544 0.000 -3.437) 3.768 3.104 ( 3.200 0.000 3.151) 4.491 3.155 ( -2.249 0.000 -0.977) 2.452 3.272 ( -0.581 0.000 -0.153) 0.601 3.283 ( 0.249 0.000 1.139) 1.166 3.398 ( 6.180 0.000 -0.873) 6.241 3.483 ( -0.001 0.000 1.832) 1.832 3.505 ( -8.808 0.000 2.311) 9.106 3.604 ( 4.043 0.000 2.800) 4.918 3.612 ( -2.468 0.000 -1.355) 2.816 3.714 ( 1.271 0.000 -0.471) 1.355 3.845 ( 7.719 0.000 0.895) 7.771 3.881 ( -2.271 0.000 -1.571) 2.761 3.972 ( -3.277 0.000 3.606) 4.873 3.995 ( -2.175 0.000 1.033) 2.408 4.055 ( -6.961 0.000 0.441) 6.975 4.182 ( -2.182 0.000 1.052) 2.422 4.230 ( 1.564 0.000 -3.703) 4.020 4.272 ( -2.593 0.000 -1.187) 2.852 4.317 ( 0.362 0.000 0.369) 0.517 4.496 ( -0.285 0.000 7.920) 7.925 4.699 ( 2.797 0.000 -7.891) 8.372 4.740 ( 1.374 0.000 8.756) 8.863 4.900 ( 0.786 0.000 -0.629) 1.006 4.934 ( -2.181 0.000 3.265) 3.927 4.980 ( 3.288 0.000 -4.992) 5.978 5.147 ( 0.722 0.000 -1.764) 1.907 5.167 ( 0.388 0.000 -3.998) 4.017 5.238 ( -1.561 0.000 -7.714) 7.870 5.246 ( 1.593 0.000 -3.191) 3.566 5.489 ( 1.158 0.000 1.837) 2.172 5.770 ( 1.885 0.000 -5.557) 5.868 6.393 ( -4.518 0.000 3.534) 5.736 6.500 ( -1.896 0.000 2.941) 3.499 8.568 ( 0.008 0.000 -2.444) 2.444 8.786 ( 3.736 0.000 -0.274) 3.746 10.460 ( -2.142 0.000 0.701) 2.254 10.495 ( -2.181 0.000 -0.624) 2.268 11.081 ( -0.841 0.000 -0.370) 0.918 11.138 ( 0.879 0.000 -0.100) 0.884 11.356 ( -0.252 0.000 1.826) 1.844 11.396 ( -0.726 0.000 0.319) 0.793 14.482 ( 0.032 0.000 -3.197) 3.197 14.521 ( 1.784 0.000 -4.781) 5.103 14.800 ( -2.330 0.000 -0.283) 2.347 14.830 ( 0.118 0.000 0.564) 0.576 14.870 ( 0.572 0.000 -1.137) 1.273 14.914 ( 2.053 0.000 3.088) 3.708 15.064 ( -3.103 0.000 -0.504) 3.143 15.107 ( -2.633 0.000 -2.122) 3.382 15.266 ( 2.508 0.000 0.896) 2.663 15.377 ( 3.596 0.000 -0.130) 3.598 16.736 ( -0.379 0.000 0.346) 0.513 16.865 ( -1.923 0.000 2.477) 3.136 20.657 ( -7.155 0.000 6.992) 10.004 20.914 ( -15.749 0.000 -1.852) 15.857 21.841 ( -0.044 0.000 -0.026) 0.051 21.856 ( -0.071 0.000 -0.229) 0.240 23.153 ( -0.153 0.000 0.490) 0.514 23.181 ( -0.808 0.000 1.504) 1.707 28.267 ( -2.812 0.000 0.406) 2.842 28.469 ( -6.409 0.000 -0.369) 6.420 28.969 ( 0.705 0.000 -0.737) 1.020 29.005 ( -1.252 0.000 1.576) 2.013 32.803 ( -0.353 0.000 -1.868) 1.901 32.920 ( 2.927 0.000 2.264) 3.701 32.986 ( -4.263 0.000 0.734) 4.325 33.514 ( -3.055 0.000 3.423) 4.588 33.611 ( 4.194 0.000 5.721) 7.094 33.682 ( 14.870 0.000 -9.462) 17.625 33.956 ( 1.592 0.000 6.391) 6.586 34.143 ( 6.197 0.000 -9.145) 11.047 ======================= Grid point 93 (46/96) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -5.547 0.000 6.982) 8.917 1.275 ( 4.217 0.000 -4.027) 5.831 1.857 ( 6.788 0.000 9.066) 11.325 1.904 ( 18.996 0.000 8.569) 20.839 2.161 ( 3.540 0.000 -0.728) 3.614 2.221 ( 1.072 0.000 -1.345) 1.720 2.360 ( 2.341 0.000 -6.354) 6.772 2.387 ( 5.594 0.000 -4.740) 7.332 2.504 ( -2.071 0.000 4.782) 5.211 2.726 ( 4.289 0.000 1.392) 4.509 2.770 ( -4.608 0.000 4.464) 6.416 2.844 ( -0.855 0.000 0.660) 1.080 2.979 ( 0.144 0.000 -5.815) 5.817 3.104 ( -3.423 0.000 5.562) 6.531 3.212 ( 3.054 0.000 1.591) 3.443 3.232 ( -4.521 0.000 -3.749) 5.873 3.288 ( 1.480 0.000 3.357) 3.669 3.403 ( -0.783 0.000 4.432) 4.501 3.442 ( -3.202 0.000 2.008) 3.779 3.486 ( 1.166 0.000 0.895) 1.470 3.611 ( 1.230 0.000 -3.865) 4.056 3.688 ( 0.205 0.000 1.869) 1.880 3.714 ( 3.367 0.000 2.008) 3.920 3.835 ( -6.154 0.000 0.610) 6.184 3.837 ( -0.696 0.000 0.711) 0.995 3.929 ( -3.453 0.000 -2.840) 4.470 3.999 ( 0.667 0.000 2.042) 2.148 4.032 ( 5.248 0.000 4.843) 7.141 4.123 ( -2.653 0.000 2.148) 3.413 4.164 ( -7.395 0.000 -0.176) 7.397 4.287 ( 3.364 0.000 -0.762) 3.449 4.313 ( -0.705 0.000 1.724) 1.862 4.504 ( -1.815 0.000 7.861) 8.068 4.772 ( 6.772 0.000 -8.817) 11.117 4.778 ( -2.012 0.000 5.267) 5.638 4.873 ( -3.248 0.000 6.472) 7.241 4.926 ( 3.286 0.000 -2.004) 3.849 5.028 ( 1.822 0.000 -2.511) 3.102 5.120 ( -3.052 0.000 -2.947) 4.243 5.154 ( 1.692 0.000 -8.513) 8.679 5.219 ( 1.378 0.000 -2.216) 2.609 5.297 ( 3.334 0.000 -0.433) 3.362 5.537 ( 2.582 0.000 3.987) 4.750 5.786 ( 1.455 0.000 -4.234) 4.476 6.333 ( -2.638 0.000 3.172) 4.125 6.476 ( -1.696 0.000 2.760) 3.239 8.547 ( -1.204 0.000 -2.649) 2.909 8.820 ( 0.164 0.000 -2.562) 2.567 10.416 ( -2.422 0.000 -0.192) 2.430 10.443 ( -2.532 0.000 -1.836) 3.128 11.079 ( 0.424 0.000 0.816) 0.920 11.149 ( 0.276 0.000 -0.134) 0.307 11.366 ( 0.534 0.000 2.635) 2.689 11.392 ( 0.166 0.000 1.265) 1.276 14.472 ( 0.144 0.000 -3.756) 3.759 14.533 ( 1.212 0.000 -5.831) 5.955 14.772 ( -0.838 0.000 -0.484) 0.968 14.833 ( -0.009 0.000 0.328) 0.328 14.890 ( 1.728 0.000 -0.864) 1.932 14.942 ( -0.215 0.000 2.579) 2.588 14.989 ( -3.903 0.000 -3.505) 5.245 15.045 ( -2.680 0.000 -3.409) 4.336 15.329 ( 3.572 0.000 2.353) 4.278 15.440 ( 2.703 0.000 0.919) 2.856 16.753 ( 1.627 0.000 1.751) 2.390 16.839 ( -1.520 0.000 2.934) 3.304 20.524 ( -7.990 0.000 3.081) 8.563 20.650 ( -11.742 0.000 -1.169) 11.800 21.840 ( -0.030 0.000 -0.032) 0.044 21.851 ( -0.346 0.000 -0.193) 0.396 23.155 ( 0.169 0.000 0.879) 0.895 23.167 ( -1.067 0.000 1.696) 2.003 28.227 ( -1.340 0.000 -0.195) 1.354 28.361 ( -4.956 0.000 0.169) 4.958 28.979 ( -1.782 0.000 1.394) 2.263 28.983 ( 0.966 0.000 -0.752) 1.224 32.798 ( 0.606 0.000 -2.240) 2.321 32.905 ( -4.363 0.000 0.425) 4.384 32.985 ( 3.286 0.000 2.436) 4.090 33.405 ( -7.550 0.000 2.633) 7.996 33.699 ( 3.068 0.000 5.659) 6.438 33.932 ( 13.211 0.000 -9.825) 16.464 33.989 ( -0.575 0.000 7.285) 7.308 34.268 ( 9.067 0.000 -8.375) 12.343 ======================= Grid point 94 (47/96) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -5.562 0.000 8.326) 10.013 1.356 ( 6.624 0.000 -6.696) 9.419 1.939 ( -0.549 0.000 5.723) 5.750 2.197 ( 7.678 0.000 3.888) 8.606 2.227 ( -0.945 0.000 -0.132) 0.954 2.331 ( -0.505 0.000 -0.126) 0.521 2.338 ( 11.102 0.000 5.512) 12.395 2.378 ( -9.323 0.000 -3.211) 9.860 2.541 ( 3.773 0.000 1.935) 4.240 2.601 ( -3.145 0.000 -8.181) 8.765 2.826 ( -1.723 0.000 0.119) 1.727 2.854 ( 5.348 0.000 -2.213) 5.787 2.966 ( 1.305 0.000 -5.698) 5.846 3.041 ( -3.562 0.000 5.135) 6.249 3.170 ( -1.838 0.000 1.598) 2.436 3.179 ( -3.801 0.000 0.422) 3.824 3.359 ( 2.917 0.000 2.755) 4.012 3.380 ( -1.343 0.000 3.516) 3.764 3.435 ( -3.287 0.000 -0.065) 3.288 3.546 ( 2.946 0.000 2.815) 4.074 3.574 ( -0.841 0.000 -0.568) 1.015 3.578 ( -4.053 0.000 -0.021) 4.053 3.753 ( -0.416 0.000 -0.369) 0.556 3.824 ( -8.073 0.000 2.391) 8.420 3.850 ( 3.574 0.000 2.594) 4.416 3.914 ( 4.965 0.000 0.128) 4.966 4.006 ( -6.681 0.000 -2.969) 7.312 4.037 ( -0.004 0.000 4.303) 4.303 4.088 ( -1.229 0.000 2.682) 2.950 4.120 ( 2.084 0.000 0.119) 2.088 4.331 ( -0.696 0.000 -0.338) 0.774 4.334 ( 2.655 0.000 4.450) 5.182 4.488 ( -1.920 0.000 10.458) 10.633 4.655 ( -7.819 0.000 3.185) 8.443 4.862 ( 4.417 0.000 -3.064) 5.376 4.909 ( 2.257 0.000 -1.477) 2.697 4.992 ( 3.385 0.000 -3.947) 5.200 5.015 ( -6.461 0.000 0.068) 6.461 5.044 ( 1.507 0.000 -3.227) 3.562 5.171 ( 2.214 0.000 -8.463) 8.748 5.311 ( 9.064 0.000 3.415) 9.686 5.354 ( 2.993 0.000 -1.875) 3.532 5.598 ( 2.293 0.000 4.246) 4.826 5.804 ( 1.741 0.000 -3.322) 3.750 6.319 ( -0.037 0.000 4.011) 4.011 6.450 ( -2.099 0.000 2.959) 3.628 8.517 ( -0.956 0.000 -1.685) 1.937 8.781 ( -2.755 0.000 -5.029) 5.735 10.374 ( -1.781 0.000 -0.685) 1.908 10.398 ( -1.505 0.000 -2.119) 2.599 11.098 ( 1.073 0.000 1.332) 1.711 11.148 ( -0.235 0.000 -0.237) 0.334 11.388 ( 0.642 0.000 2.880) 2.951 11.408 ( 0.851 0.000 1.943) 2.121 14.464 ( 0.186 0.000 -3.747) 3.752 14.528 ( 0.276 0.000 -6.343) 6.349 14.750 ( -1.494 0.000 -1.379) 2.033 14.828 ( -0.618 0.000 -0.547) 0.826 14.897 ( -3.535 0.000 -2.135) 4.129 14.916 ( 0.735 0.000 -0.930) 1.185 14.938 ( -1.332 0.000 0.044) 1.332 15.011 ( 0.872 0.000 -2.973) 3.099 15.403 ( 3.130 0.000 2.963) 4.311 15.478 ( 1.012 0.000 0.958) 1.394 16.799 ( 2.229 0.000 2.638) 3.454 16.830 ( -0.513 0.000 3.229) 3.269 20.398 ( -5.646 0.000 1.267) 5.787 20.466 ( -7.468 0.000 -1.113) 7.551 21.839 ( 0.020 0.000 -0.033) 0.038 21.844 ( -0.346 0.000 -0.148) 0.376 23.155 ( -0.729 0.000 1.763) 1.908 23.163 ( 0.302 0.000 1.074) 1.116 28.216 ( 0.149 0.000 0.058) 0.160 28.283 ( -3.406 0.000 -0.111) 3.408 28.952 ( -1.401 0.000 1.081) 1.770 28.999 ( 0.973 0.000 -0.741) 1.223 32.815 ( 1.976 0.000 -2.311) 3.041 32.829 ( -3.564 0.000 -0.384) 3.584 33.060 ( 3.752 0.000 3.535) 5.155 33.276 ( -6.488 0.000 1.687) 6.703 33.755 ( 0.999 0.000 4.957) 5.056 33.972 ( -3.753 0.000 6.900) 7.855 34.107 ( 8.479 0.000 -8.600) 12.077 34.407 ( 7.973 0.000 -7.726) 11.103 ======================= Grid point 95 (48/96) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -2.229 0.000 6.289) 6.672 1.459 ( 3.964 0.000 -3.833) 5.514 1.908 ( -1.486 0.000 3.619) 3.912 2.002 ( -23.545 0.000 -1.675) 23.605 2.059 ( -14.057 0.000 4.240) 14.683 2.324 ( 5.611 0.000 -1.571) 5.827 2.429 ( 8.369 0.000 -3.048) 8.907 2.498 ( 1.949 0.000 0.132) 1.953 2.594 ( -0.163 0.000 3.163) 3.167 2.654 ( 4.130 0.000 2.549) 4.853 2.748 ( -5.549 0.000 0.623) 5.584 2.899 ( 0.141 0.000 -2.696) 2.700 2.989 ( 5.126 0.000 -6.956) 8.640 3.059 ( -0.278 0.000 -4.581) 4.589 3.130 ( -0.132 0.000 13.201) 13.202 3.167 ( 2.415 0.000 1.569) 2.880 3.306 ( -5.685 0.000 -3.918) 6.904 3.401 ( 0.302 0.000 5.680) 5.688 3.422 ( 4.269 0.000 0.620) 4.314 3.549 ( -4.511 0.000 2.600) 5.207 3.592 ( 1.396 0.000 -0.425) 1.459 3.594 ( 1.626 0.000 4.789) 5.057 3.648 ( -9.941 0.000 4.182) 10.785 3.736 ( -0.788 0.000 0.746) 1.085 3.892 ( -1.798 0.000 -4.368) 4.723 3.942 ( 1.319 0.000 -1.129) 1.736 3.942 ( -11.131 0.000 5.091) 12.240 3.996 ( 2.517 0.000 1.562) 2.962 4.057 ( -0.729 0.000 0.860) 1.127 4.152 ( 3.097 0.000 0.542) 3.144 4.229 ( -7.903 0.000 0.294) 7.909 4.427 ( 5.092 0.000 2.614) 5.723 4.517 ( 1.146 0.000 3.428) 3.614 4.592 ( -1.992 0.000 7.157) 7.429 4.873 ( -3.024 0.000 0.311) 3.040 4.918 ( 2.091 0.000 0.381) 2.125 4.959 ( 0.169 0.000 -3.405) 3.409 5.017 ( 0.752 0.000 -2.645) 2.750 5.043 ( -1.079 0.000 -5.245) 5.355 5.180 ( 1.312 0.000 -6.574) 6.704 5.395 ( 1.985 0.000 -3.625) 4.133 5.574 ( 16.086 0.000 3.429) 16.448 5.647 ( 1.730 0.000 3.232) 3.666 5.831 ( 2.825 0.000 -4.711) 5.493 6.351 ( 1.731 0.000 5.023) 5.312 6.419 ( -1.960 0.000 2.582) 3.242 8.510 ( 0.592 0.000 0.571) 0.822 8.700 ( -3.698 0.000 -5.942) 6.999 10.349 ( -0.567 0.000 -0.689) 0.893 10.375 ( -0.311 0.000 -1.760) 1.788 11.126 ( 1.451 0.000 1.342) 1.976 11.141 ( -0.452 0.000 -0.391) 0.598 11.403 ( 0.046 0.000 2.328) 2.329 11.430 ( 0.779 0.000 1.820) 1.979 14.456 ( 0.159 0.000 -2.987) 2.991 14.506 ( -0.447 0.000 -6.118) 6.135 14.707 ( -2.319 0.000 -1.695) 2.872 14.796 ( -2.009 0.000 -2.687) 3.355 14.852 ( -0.983 0.000 0.372) 1.051 14.911 ( -1.389 0.000 -0.121) 1.394 14.913 ( -0.329 0.000 -0.939) 0.995 15.051 ( 3.339 0.000 -1.898) 3.841 15.455 ( 1.203 0.000 2.714) 2.969 15.484 ( -0.569 0.000 0.210) 0.606 16.834 ( -0.318 0.000 2.784) 2.802 16.843 ( 1.536 0.000 2.365) 2.821 20.333 ( -1.607 0.000 1.965) 2.538 20.362 ( -3.371 0.000 0.542) 3.414 21.838 ( -0.207 0.000 -0.109) 0.234 21.840 ( 0.089 0.000 -0.006) 0.090 23.151 ( -0.303 0.000 1.706) 1.732 23.173 ( 0.363 0.000 1.084) 1.143 28.230 ( -2.153 0.000 -0.362) 2.183 28.231 ( 1.197 0.000 0.780) 1.428 28.935 ( -0.700 0.000 0.871) 1.118 29.015 ( 0.864 0.000 -0.529) 1.013 32.774 ( -2.064 0.000 -0.651) 2.165 32.856 ( 2.877 0.000 -1.812) 3.400 33.146 ( 3.832 0.000 4.777) 6.124 33.184 ( -3.365 0.000 0.335) 3.382 33.766 ( -1.060 0.000 3.848) 3.991 33.891 ( -6.830 0.000 5.469) 8.750 34.196 ( 3.796 0.000 -8.463) 9.275 34.516 ( 6.101 0.000 -6.928) 9.231 ======================= Grid point 96 (49/96) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 1.718 0.000 0.226) 1.733 1.410 ( -7.821 0.000 1.374) 7.941 1.579 ( -19.451 0.000 6.075) 20.378 1.756 ( -18.286 0.000 6.409) 19.377 2.024 ( 10.895 0.000 5.292) 12.112 2.378 ( 0.073 0.000 -3.827) 3.827 2.472 ( -3.320 0.000 -4.440) 5.544 2.493 ( -1.180 0.000 -8.626) 8.707 2.578 ( -3.979 0.000 5.306) 6.632 2.605 ( -7.482 0.000 4.349) 8.654 2.738 ( 6.983 0.000 2.970) 7.588 2.969 ( -4.477 0.000 1.998) 4.903 2.970 ( 4.040 0.000 5.653) 6.948 3.062 ( 3.178 0.000 -6.291) 7.048 3.165 ( -2.613 0.000 -3.280) 4.194 3.224 ( 1.993 0.000 3.479) 4.009 3.246 ( -21.131 0.000 12.982) 24.800 3.316 ( 7.317 0.000 3.240) 8.002 3.464 ( -4.140 0.000 -1.638) 4.452 3.508 ( 1.127 0.000 5.082) 5.206 3.529 ( 0.477 0.000 -0.158) 0.502 3.592 ( -4.648 0.000 -1.797) 4.984 3.664 ( 3.305 0.000 8.028) 8.682 3.696 ( 1.648 0.000 -0.407) 1.697 3.820 ( -2.289 0.000 -3.492) 4.175 3.822 ( -0.597 0.000 -1.300) 1.431 3.963 ( -3.413 0.000 2.357) 4.148 3.972 ( 1.590 0.000 -0.729) 1.749 4.071 ( -6.408 0.000 1.788) 6.653 4.183 ( 8.251 0.000 -1.162) 8.332 4.232 ( 3.458 0.000 0.502) 3.494 4.498 ( -4.009 0.000 3.115) 5.077 4.505 ( 2.599 0.000 -2.048) 3.309 4.570 ( -2.743 0.000 7.039) 7.554 4.864 ( 0.571 0.000 2.017) 2.096 4.942 ( -2.175 0.000 -2.712) 3.476 4.961 ( 1.162 0.000 -3.538) 3.724 4.977 ( 0.218 0.000 -1.919) 1.932 5.023 ( -0.312 0.000 -1.772) 1.800 5.172 ( -0.774 0.000 -3.697) 3.777 5.394 ( -1.028 0.000 -4.137) 4.263 5.686 ( 1.814 0.000 1.393) 2.287 5.776 ( 2.095 0.000 0.257) 2.111 5.977 ( 16.008 0.000 -9.984) 18.866 6.401 ( -0.049 0.000 1.846) 1.847 6.403 ( 1.871 0.000 4.784) 5.137 8.548 ( 2.674 0.000 3.710) 4.573 8.619 ( -2.839 0.000 -5.025) 5.772 10.350 ( 0.885 0.000 -0.062) 0.887 10.375 ( 0.700 0.000 -0.769) 1.040 11.130 ( -0.477 0.000 -0.569) 0.743 11.159 ( 1.631 0.000 0.771) 1.805 11.401 ( -0.923 0.000 1.232) 1.539 11.445 ( 0.257 0.000 0.993) 1.026 14.456 ( 0.737 0.000 -1.809) 1.953 14.479 ( -0.465 0.000 -5.253) 5.273 14.667 ( -1.257 0.000 0.158) 1.266 14.758 ( -1.156 0.000 -1.373) 1.795 14.844 ( -0.401 0.000 0.928) 1.012 14.896 ( 0.195 0.000 -0.059) 0.204 14.903 ( -0.436 0.000 -0.563) 0.713 15.102 ( 2.321 0.000 -1.588) 2.812 15.459 ( -1.663 0.000 2.105) 2.683 15.460 ( -1.771 0.000 -0.934) 2.002 16.825 ( -1.459 0.000 1.063) 1.805 16.868 ( 0.533 0.000 1.288) 1.394 20.352 ( 2.466 0.000 4.680) 5.290 20.352 ( 1.835 0.000 5.504) 5.802 21.835 ( -0.043 0.000 -0.038) 0.058 21.843 ( 0.116 0.000 0.037) 0.122 23.152 ( -0.134 0.000 1.462) 1.468 23.183 ( 0.302 0.000 1.000) 1.044 28.201 ( -0.734 0.000 0.056) 0.736 28.264 ( 1.805 0.000 1.734) 2.503 28.930 ( -0.126 0.000 0.714) 0.725 29.027 ( 0.463 0.000 -0.100) 0.474 32.748 ( -0.493 0.000 -0.555) 0.742 32.897 ( 1.305 0.000 -0.419) 1.370 33.166 ( 1.977 0.000 -2.038) 2.839 33.225 ( 2.413 0.000 6.121) 6.579 33.741 ( -5.134 0.000 6.145) 8.007 33.762 ( -5.108 0.000 -0.117) 5.110 34.200 ( -0.446 0.000 -9.148) 9.158 34.590 ( 3.895 0.000 -7.799) 8.717 ======================= Grid point 97 (50/96) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -5.788 0.000 7.280) 9.301 1.249 ( -9.422 0.000 7.898) 12.294 1.435 ( -17.379 0.000 9.814) 19.958 1.440 ( 2.109 0.000 8.268) 8.533 2.275 ( -9.894 0.000 -1.295) 9.979 2.281 ( 11.619 0.000 9.185) 14.811 2.371 ( -5.484 0.000 -4.031) 6.807 2.415 ( -5.863 0.000 -0.302) 5.871 2.491 ( -6.474 0.000 7.437) 9.860 2.515 ( 0.433 0.000 -5.353) 5.370 2.734 ( -28.288 0.000 22.655) 36.242 2.885 ( 5.504 0.000 -0.769) 5.557 2.954 ( 2.253 0.000 -0.384) 2.286 3.070 ( -1.074 0.000 -5.650) 5.751 3.093 ( 1.334 0.000 1.309) 1.869 3.162 ( 5.135 0.000 -1.130) 5.258 3.280 ( 2.731 0.000 2.232) 3.526 3.323 ( -7.811 0.000 -7.131) 10.577 3.430 ( 2.005 0.000 1.913) 2.771 3.445 ( -4.505 0.000 -1.831) 4.863 3.565 ( 3.159 0.000 0.550) 3.207 3.578 ( 2.080 0.000 4.316) 4.791 3.770 ( 5.097 0.000 7.789) 9.308 3.770 ( -3.647 0.000 -4.041) 5.443 3.823 ( 6.274 0.000 -3.150) 7.021 3.832 ( 3.788 0.000 0.297) 3.799 3.927 ( 0.290 0.000 2.077) 2.097 3.988 ( -0.369 0.000 -0.229) 0.435 4.000 ( -2.095 0.000 8.508) 8.762 4.228 ( -3.928 0.000 -2.968) 4.923 4.312 ( 1.353 0.000 2.952) 3.247 4.451 ( 1.824 0.000 1.900) 2.634 4.530 ( 1.743 0.000 -2.999) 3.469 4.533 ( -3.296 0.000 5.505) 6.416 4.841 ( -5.183 0.000 -3.872) 6.470 4.878 ( -0.008 0.000 2.388) 2.388 4.965 ( -0.132 0.000 -2.895) 2.898 4.981 ( -2.306 0.000 -0.659) 2.398 5.054 ( 4.751 0.000 -1.009) 4.857 5.123 ( -3.504 0.000 -2.196) 4.135 5.335 ( -3.279 0.000 -4.475) 5.548 5.719 ( 1.240 0.000 -1.473) 1.925 5.776 ( -0.460 0.000 -2.690) 2.729 6.156 ( 4.168 0.000 -15.840) 16.379 6.444 ( 1.050 0.000 3.934) 4.072 6.479 ( 8.864 0.000 -1.343) 8.965 8.569 ( -0.984 0.000 -3.229) 3.375 8.621 ( 2.915 0.000 5.052) 5.833 10.381 ( 2.066 0.000 1.086) 2.334 10.397 ( 1.681 0.000 0.737) 1.836 11.121 ( -0.198 0.000 -0.632) 0.662 11.187 ( 1.158 0.000 -0.447) 1.242 11.378 ( -1.544 0.000 0.679) 1.687 11.447 ( -0.155 0.000 0.014) 0.156 14.461 ( 0.147 0.000 -4.101) 4.104 14.471 ( 1.100 0.000 -1.794) 2.104 14.687 ( 3.441 0.000 4.791) 5.899 14.744 ( -0.208 0.000 0.238) 0.316 14.837 ( -0.481 0.000 0.661) 0.818 14.895 ( -0.213 0.000 -0.054) 0.220 14.929 ( 3.135 0.000 1.290) 3.390 15.124 ( 0.624 0.000 -1.714) 1.824 15.406 ( -4.375 0.000 1.627) 4.668 15.412 ( -2.907 0.000 -2.012) 3.536 16.784 ( -2.583 0.000 -0.588) 2.649 16.871 ( -0.443 0.000 0.166) 0.473 20.447 ( 5.199 0.000 8.436) 9.909 20.498 ( 11.738 0.000 13.411) 17.822 21.836 ( 0.112 0.000 0.068) 0.131 21.844 ( 0.062 0.000 0.062) 0.088 23.152 ( -0.342 0.000 1.004) 1.060 23.189 ( -0.009 0.000 0.844) 0.844 28.214 ( 2.346 0.000 1.925) 3.034 28.306 ( 1.871 0.000 2.760) 3.335 28.933 ( 0.109 0.000 0.506) 0.518 29.028 ( -0.439 0.000 0.271) 0.516 32.750 ( 0.685 0.000 -0.253) 0.730 32.899 ( -0.832 0.000 0.445) 0.944 33.239 ( 6.200 0.000 -4.291) 7.540 33.260 ( -0.922 0.000 6.476) 6.541 33.594 ( -8.648 0.000 3.579) 9.359 33.747 ( 0.843 0.000 0.075) 0.846 34.123 ( -4.845 0.000 -10.369) 11.445 34.589 ( -1.836 0.000 -12.097) 12.235 ======================= Grid point 98 (51/96) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 2.107 0.000 24.762) 24.852 1.121 ( -9.542 0.000 22.013) 23.992 1.217 ( -6.450 0.000 5.751) 8.642 1.549 ( 5.524 0.000 -1.198) 5.653 2.068 ( -12.205 0.000 0.539) 12.217 2.119 ( -24.878 0.000 32.678) 41.070 2.272 ( -8.675 0.000 4.570) 9.805 2.364 ( -3.888 0.000 3.835) 5.462 2.430 ( 2.921 0.000 3.004) 4.190 2.527 ( 1.000 0.000 3.090) 3.248 2.639 ( 11.792 0.000 -3.210) 12.221 2.946 ( 0.772 0.000 -7.406) 7.446 3.006 ( 2.644 0.000 -3.616) 4.479 3.025 ( 0.070 0.000 -10.924) 10.924 3.123 ( 1.925 0.000 2.475) 3.136 3.176 ( -1.243 0.000 -7.425) 7.528 3.290 ( -1.813 0.000 0.280) 1.835 3.315 ( 8.581 0.000 2.741) 9.009 3.430 ( 1.762 0.000 1.891) 2.584 3.434 ( -0.477 0.000 1.247) 1.335 3.593 ( -2.297 0.000 -1.594) 2.796 3.645 ( 3.494 0.000 3.915) 5.247 3.726 ( -0.081 0.000 2.998) 2.999 3.861 ( 1.394 0.000 0.496) 1.479 3.871 ( -2.591 0.000 0.425) 2.625 3.902 ( 1.531 0.000 3.852) 4.145 3.929 ( -1.548 0.000 6.438) 6.621 3.965 ( 4.916 0.000 -1.271) 5.077 4.093 ( 7.335 0.000 3.435) 8.099 4.122 ( -4.366 0.000 -3.709) 5.728 4.270 ( -4.025 0.000 6.749) 7.858 4.472 ( -3.749 0.000 5.502) 6.657 4.544 ( -1.188 0.000 1.204) 1.691 4.577 ( 6.844 0.000 0.344) 6.852 4.743 ( -3.179 0.000 -3.907) 5.037 4.874 ( -0.834 0.000 1.742) 1.931 4.921 ( -3.759 0.000 -2.359) 4.438 4.946 ( -0.489 0.000 -1.918) 1.980 5.037 ( -4.129 0.000 0.710) 4.189 5.135 ( 3.646 0.000 -4.158) 5.530 5.270 ( -1.650 0.000 -3.695) 4.046 5.705 ( -1.865 0.000 -5.725) 6.021 5.753 ( -1.038 0.000 -4.062) 4.193 6.066 ( -6.806 0.000 -19.556) 20.706 6.471 ( 0.595 0.000 4.345) 4.385 6.622 ( 4.595 0.000 -4.458) 6.403 8.564 ( 1.252 0.000 -1.659) 2.078 8.644 ( -2.410 0.000 2.087) 3.188 10.429 ( 2.343 0.000 2.209) 3.220 10.441 ( 2.373 0.000 2.100) 3.169 11.119 ( 0.040 0.000 -0.781) 0.782 11.193 ( -0.293 0.000 -1.895) 1.918 11.361 ( -0.402 0.000 1.508) 1.560 11.441 ( -0.348 0.000 -0.589) 0.684 14.460 ( 0.957 0.000 -3.161) 3.303 14.479 ( 0.572 0.000 -2.196) 2.269 14.752 ( 0.831 0.000 1.261) 1.510 14.825 ( 7.346 0.000 3.874) 8.305 14.833 ( -0.183 0.000 0.848) 0.868 14.901 ( 1.183 0.000 1.408) 1.839 15.012 ( 4.683 0.000 2.118) 5.140 15.129 ( 1.427 0.000 -2.400) 2.792 15.316 ( -5.392 0.000 1.679) 5.648 15.337 ( -4.284 0.000 -2.063) 4.755 16.758 ( 0.819 0.000 1.042) 1.325 16.852 ( -1.547 0.000 -0.499) 1.625 20.583 ( 5.338 0.000 11.812) 12.962 20.902 ( 25.722 0.000 11.881) 28.334 21.839 ( 0.139 0.000 0.085) 0.163 21.845 ( -0.042 0.000 0.040) 0.058 23.146 ( -0.402 0.000 0.763) 0.862 23.186 ( -0.523 0.000 0.579) 0.780 28.333 ( 10.130 0.000 3.570) 10.741 28.344 ( 0.943 0.000 3.530) 3.654 28.936 ( 0.184 0.000 0.326) 0.375 29.011 ( -1.431 0.000 0.148) 1.439 32.770 ( 1.518 0.000 0.172) 1.528 32.878 ( -1.362 0.000 0.176) 1.373 33.228 ( -4.253 0.000 4.814) 6.424 33.345 ( 6.013 0.000 -5.851) 8.390 33.475 ( -4.411 0.000 2.974) 5.320 33.784 ( 2.579 0.000 1.141) 2.820 33.911 ( -15.936 0.000 -11.066) 19.402 34.425 ( -10.123 0.000 -12.932) 16.423 ======================= Grid point 99 (52/96) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -3.852 9.310 20.522) 22.862 1.199 ( 1.349 8.404 22.384) 23.948 1.389 ( 0.137 12.611 8.212) 15.050 1.659 ( -0.401 4.555 -2.765) 5.344 1.798 ( -7.574 0.179 14.544) 16.398 2.077 ( -2.196 3.917 16.248) 16.857 2.154 ( -6.277 -1.846 2.447) 6.985 2.248 ( 4.091 -8.125 3.417) 9.718 2.438 ( 2.119 -2.885 13.071) 13.553 2.678 ( -0.407 -1.947 -9.123) 9.338 2.733 ( 2.874 8.640 1.227) 9.188 2.775 ( 2.869 -6.574 -9.626) 12.005 2.988 ( 0.047 -4.262 -12.049) 12.781 3.097 ( 5.126 0.909 -1.851) 5.525 3.201 ( -2.065 3.362 -0.840) 4.034 3.222 ( 0.826 0.024 -1.621) 1.820 3.296 ( 3.311 1.435 -0.813) 3.699 3.396 ( 2.563 -4.869 1.712) 5.762 3.461 ( 2.490 1.216 1.390) 3.101 3.508 ( 0.427 2.096 -1.883) 2.850 3.587 ( -0.639 1.341 0.548) 1.584 3.639 ( -0.443 -1.193 5.978) 6.112 3.674 ( -2.327 -2.362 3.412) 4.758 3.742 ( -4.206 1.648 -3.515) 5.724 3.827 ( -0.065 -4.278 2.730) 5.075 3.938 ( 2.845 -5.818 3.703) 7.461 4.035 ( 4.225 -7.710 0.010) 8.791 4.041 ( -2.713 1.339 4.451) 5.382 4.071 ( 7.828 -1.005 0.657) 7.919 4.165 ( 2.217 2.770 5.270) 6.353 4.313 ( 1.238 4.399 2.706) 5.311 4.405 ( -2.737 0.122 4.023) 4.867 4.513 ( -5.171 3.070 2.860) 6.659 4.598 ( 2.890 -3.039 6.617) 7.834 4.801 ( 0.050 2.346 -3.739) 4.414 4.888 ( -2.154 1.984 -0.883) 3.059 4.923 ( 2.665 3.102 -4.559) 6.125 4.961 ( 0.892 3.901 -2.445) 4.690 5.047 ( 2.433 2.139 0.606) 3.296 5.139 ( -0.891 -0.208 -6.968) 7.028 5.270 ( 1.298 0.910 -3.004) 3.397 5.530 ( -6.795 -6.758 -9.774) 13.689 5.685 ( -6.957 1.661 -9.222) 11.671 5.844 ( -8.348 -0.193 -13.891) 16.207 6.486 ( -0.606 0.231 5.230) 5.270 6.591 ( -1.530 -1.643 2.157) 3.113 8.588 ( 0.069 1.039 0.874) 1.359 8.632 ( 2.563 1.460 -0.224) 2.958 10.471 ( 1.118 0.021 2.349) 2.602 10.490 ( 1.763 -0.129 2.242) 2.856 11.119 ( -0.219 0.351 -0.747) 0.854 11.163 ( -1.624 -0.217 -2.402) 2.907 11.362 ( -0.209 -0.186 1.130) 1.164 11.419 ( -0.774 -1.096 -0.658) 1.494 14.462 ( 1.366 -0.841 -2.173) 2.701 14.481 ( 1.323 -0.682 -2.306) 2.745 14.769 ( 1.456 -0.867 2.154) 2.741 14.819 ( -0.446 -1.369 1.281) 1.927 14.892 ( -0.138 1.047 -0.559) 1.195 14.936 ( -1.331 -0.082 -1.428) 1.954 15.095 ( 3.555 0.364 1.739) 3.974 15.161 ( 2.777 -0.582 -0.323) 2.855 15.252 ( -2.860 1.112 0.452) 3.101 15.274 ( -0.908 0.027 0.315) 0.962 16.781 ( 0.322 -1.204 1.221) 1.745 16.837 ( 0.220 -0.311 0.037) 0.382 20.700 ( 2.344 0.489 12.797) 13.019 21.126 ( 8.013 -15.434 2.936) 17.636 21.843 ( 0.238 0.062 0.087) 0.261 21.845 ( 0.107 0.066 -0.012) 0.126 23.154 ( 0.446 0.061 1.062) 1.153 23.175 ( -0.433 -0.042 0.286) 0.521 28.345 ( -0.668 -0.805 3.242) 3.407 28.472 ( 6.489 -6.745 1.200) 9.436 28.953 ( 1.148 0.080 0.578) 1.288 28.979 ( -0.962 -0.330 -0.382) 1.086 32.885 ( -1.610 3.758 0.170) 4.092 32.990 ( 7.445 11.031 -4.947) 14.198 33.145 ( -3.136 0.838 2.356) 4.010 33.330 ( -1.159 -1.774 -1.626) 2.671 33.533 ( -0.754 6.966 -0.424) 7.020 33.622 ( -10.542 4.384 -1.138) 11.474 33.810 ( 2.672 -2.999 2.402) 4.680 34.174 ( -6.823 -5.178 -8.978) 12.409 ======================= Grid point 100 (53/96) ======================= q-point: ( 0.11 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 2.657 8.759 16.608) 18.963 1.329 ( 0.657 13.007 18.568) 22.680 1.445 ( 6.276 4.313 9.129) 11.888 1.602 ( -3.491 6.383 1.012) 7.346 1.889 ( 10.089 -3.072 11.282) 15.443 2.081 ( -0.816 -2.028 -0.875) 2.355 2.138 ( 3.320 -2.060 5.301) 6.585 2.342 ( 3.465 -10.993 0.314) 11.531 2.460 ( -5.864 -0.205 3.269) 6.717 2.625 ( 4.105 0.593 9.156) 10.052 2.775 ( -0.172 3.568 -7.521) 8.327 2.850 ( 3.861 2.344 -1.300) 4.700 2.990 ( 2.867 -4.048 -5.464) 7.380 3.112 ( 0.283 0.253 -1.817) 1.856 3.185 ( -3.245 1.162 -2.927) 4.522 3.241 ( 0.957 -0.018 -0.481) 1.071 3.318 ( -0.747 0.158 0.927) 1.201 3.407 ( 1.127 2.481 2.402) 3.633 3.454 ( -0.880 3.102 1.753) 3.670 3.532 ( -0.810 -2.088 -0.740) 2.359 3.580 ( 2.250 -3.552 0.641) 4.253 3.629 ( -2.054 -0.621 1.908) 2.871 3.690 ( 0.446 1.355 0.830) 1.650 3.711 ( 2.280 -0.136 3.658) 4.312 3.840 ( -0.237 -3.626 2.059) 4.176 3.972 ( 0.212 -7.785 0.513) 7.805 4.028 ( -1.999 -3.052 5.150) 6.312 4.052 ( 0.914 -2.629 -1.118) 2.999 4.214 ( 2.967 0.096 1.909) 3.529 4.258 ( 6.080 0.799 -3.264) 6.947 4.311 ( -4.816 3.233 0.463) 5.819 4.336 ( -1.363 4.703 2.196) 5.367 4.468 ( -0.709 0.125 6.541) 6.580 4.656 ( 1.264 -1.699 9.350) 9.587 4.775 ( -3.281 4.887 -4.067) 7.154 4.867 ( 3.118 -0.075 -4.213) 5.242 4.935 ( 0.637 -2.433 -0.283) 2.531 4.999 ( 0.739 4.841 -3.520) 6.031 5.103 ( 0.015 -0.115 -2.217) 2.220 5.143 ( 5.054 0.839 -1.383) 5.306 5.267 ( -0.484 0.488 -6.275) 6.313 5.346 ( -6.739 -2.251 -11.468) 13.490 5.536 ( -4.081 2.387 -5.108) 6.961 5.732 ( -0.645 -2.951 -6.875) 7.510 6.466 ( -2.877 0.948 4.294) 5.255 6.552 ( -3.198 0.591 3.772) 4.981 8.588 ( 0.341 2.383 -0.865) 2.558 8.708 ( 4.512 0.664 -0.172) 4.564 10.481 ( -0.749 -0.159 1.711) 1.875 10.511 ( -0.266 -0.537 1.151) 1.297 11.111 ( -1.003 -0.052 -0.856) 1.320 11.128 ( -0.520 0.212 -1.100) 1.235 11.358 ( -0.503 -0.269 1.135) 1.270 11.402 ( -0.853 -1.063 -0.236) 1.383 14.479 ( 1.014 -0.499 -2.326) 2.586 14.498 ( 1.423 -0.321 -3.556) 3.843 14.796 ( -0.123 -1.746 1.257) 2.155 14.830 ( 1.825 -2.038 2.098) 3.447 14.870 ( -1.926 0.860 -0.107) 2.112 14.900 ( -1.006 0.912 -1.345) 1.911 15.121 ( -0.974 1.333 1.381) 2.152 15.164 ( -1.566 1.014 -0.840) 2.046 15.239 ( 1.316 1.092 0.811) 1.893 15.307 ( 3.085 -0.696 -1.177) 3.374 16.762 ( -1.592 0.021 0.037) 1.592 16.855 ( 0.150 -2.207 1.782) 2.840 20.732 ( -2.925 0.569 10.664) 11.072 21.091 ( -9.722 -11.210 -0.435) 14.845 21.844 ( -0.022 0.184 -0.031) 0.188 21.853 ( 0.443 -0.050 -0.132) 0.465 23.157 ( -0.421 -0.093 0.595) 0.735 23.178 ( 0.258 -0.326 0.859) 0.955 28.321 ( -2.546 0.057 1.916) 3.187 28.507 ( -2.435 -6.574 -0.204) 7.014 28.963 ( -0.065 -0.095 -0.413) 0.428 28.987 ( 1.129 -1.097 0.894) 1.810 32.844 ( -2.286 3.121 -0.398) 3.889 33.032 ( -1.544 2.119 -1.678) 3.113 33.099 ( -4.122 13.475 -0.962) 14.124 33.372 ( 11.353 0.592 -0.994) 11.412 33.500 ( 0.705 0.075 3.125) 3.204 33.638 ( 3.068 3.719 0.719) 4.875 33.873 ( 2.833 -2.648 4.242) 5.747 34.069 ( -0.578 -5.368 -9.560) 10.979 ======================= Grid point 101 (54/96) ======================= q-point: ( 0.22 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -6.597 7.445 2.057) 10.158 1.306 ( 5.329 9.113 6.542) 12.420 1.625 ( 10.839 6.300 11.579) 17.067 1.693 ( 9.196 4.081 12.122) 15.754 2.066 ( -1.911 -5.960 -0.479) 6.277 2.118 ( 7.868 -5.121 4.254) 10.306 2.197 ( 4.679 -6.666 -1.842) 8.350 2.391 ( 4.157 5.821 -6.691) 9.794 2.444 ( 4.487 -9.459 5.213) 11.695 2.710 ( -2.520 4.874 -6.624) 8.601 2.783 ( 5.791 -0.581 12.641) 13.916 2.889 ( 0.469 3.298 0.331) 3.348 2.977 ( -3.060 -1.898 -1.373) 3.854 3.075 ( -4.452 -0.143 -2.477) 5.097 3.147 ( -0.121 0.268 -0.116) 0.316 3.267 ( 1.720 0.086 1.851) 2.529 3.312 ( 1.168 1.103 3.036) 3.435 3.428 ( 1.754 1.173 0.289) 2.130 3.448 ( -2.356 -1.893 2.334) 3.818 3.496 ( -6.679 -0.762 -0.823) 6.773 3.598 ( 4.407 -0.042 0.422) 4.427 3.618 ( -0.443 -0.302 1.102) 1.226 3.730 ( 1.077 -0.745 -1.292) 1.840 3.760 ( 2.417 -3.923 1.748) 4.928 3.858 ( 2.295 -2.779 4.726) 5.944 3.937 ( -5.921 -3.571 1.781) 7.140 3.994 ( 0.692 -1.113 -1.883) 2.295 4.079 ( -0.647 -3.396 3.433) 4.872 4.144 ( -5.287 5.535 2.273) 7.985 4.275 ( -1.759 2.213 0.034) 2.827 4.294 ( 1.265 -0.805 -0.263) 1.522 4.364 ( 0.817 5.989 -2.071) 6.390 4.505 ( 1.149 1.274 8.315) 8.490 4.705 ( 1.100 -0.981 3.677) 3.961 4.737 ( 1.924 1.652 -1.619) 3.008 4.898 ( -0.261 -1.038 -0.198) 1.088 4.920 ( -1.737 -1.225 -3.917) 4.457 4.995 ( 1.599 -0.491 -0.401) 1.720 5.106 ( -0.048 -0.966 -1.392) 1.695 5.168 ( -0.369 -0.622 -6.594) 6.634 5.234 ( -0.756 0.331 -5.827) 5.885 5.282 ( 2.275 2.117 -6.048) 6.800 5.515 ( 1.425 2.543 1.156) 3.135 5.740 ( 2.453 -2.874 -5.409) 6.598 6.411 ( -4.054 1.794 3.414) 5.596 6.506 ( -2.644 0.278 3.193) 4.155 8.588 ( -0.088 2.162 -2.240) 3.115 8.777 ( 2.588 -1.234 -0.965) 3.026 10.456 ( -2.136 -0.235 0.597) 2.230 10.487 ( -2.213 -0.751 -0.483) 2.386 11.088 ( -0.679 0.592 -0.179) 0.918 11.133 ( 0.610 -0.487 -0.017) 0.781 11.356 ( -0.079 -0.001 1.764) 1.765 11.388 ( -0.518 -0.700 0.499) 1.004 14.482 ( 0.307 0.074 -3.208) 3.223 14.514 ( 1.563 -0.633 -4.569) 4.870 14.786 ( -0.761 -0.714 0.467) 1.143 14.842 ( -0.489 0.937 0.566) 1.199 14.876 ( 1.278 -0.976 0.103) 1.611 14.896 ( 0.832 -0.504 1.574) 1.850 15.080 ( -3.246 1.462 -1.161) 3.744 15.118 ( -2.794 0.791 -2.309) 3.710 15.279 ( 2.665 1.359 0.847) 3.109 15.369 ( 3.575 -0.770 0.058) 3.658 16.743 ( -0.238 0.733 0.674) 1.024 16.847 ( -1.355 -1.758 2.388) 3.260 20.661 ( -7.056 0.505 6.565) 9.650 20.858 ( -13.245 -5.040 0.062) 14.172 21.843 ( -0.063 0.227 -0.040) 0.239 21.856 ( -0.064 -0.064 -0.211) 0.229 23.152 ( -0.198 0.032 0.708) 0.736 23.177 ( -0.642 -0.376 1.275) 1.476 28.273 ( -2.597 0.651 0.501) 2.724 28.428 ( -4.967 -3.689 0.316) 6.195 28.967 ( 0.497 -0.133 -0.448) 0.682 28.994 ( -0.681 -0.896 1.190) 1.637 32.808 ( -1.205 1.617 -0.602) 2.105 32.972 ( -4.177 -1.426 0.629) 4.458 33.053 ( -0.478 10.944 0.267) 10.958 33.489 ( -3.878 -2.957 2.792) 5.620 33.601 ( 8.650 0.788 1.969) 8.907 33.723 ( 8.552 2.469 -4.566) 10.004 33.945 ( 3.527 -0.816 4.736) 5.961 34.108 ( 7.210 -3.379 -9.096) 12.089 ======================= Grid point 102 (55/96) ======================= q-point: ( 0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -6.738 2.698 3.002) 7.855 1.361 ( 0.476 5.743 -2.343) 6.221 1.863 ( 4.129 0.637 7.937) 8.969 1.932 ( 14.382 1.891 8.053) 16.592 2.051 ( 3.353 -6.319 0.061) 7.154 2.218 ( 6.331 0.184 -0.499) 6.353 2.341 ( 7.103 -2.936 2.323) 8.029 2.464 ( 4.638 6.827 -3.234) 8.865 2.557 ( 2.056 -0.494 3.427) 4.027 2.662 ( 0.568 -0.794 -3.089) 3.240 2.819 ( -5.753 3.310 2.467) 7.081 2.858 ( -2.917 -1.249 -3.922) 5.045 2.936 ( 0.324 -2.761 -2.674) 3.857 3.027 ( -0.265 -9.058 0.514) 9.076 3.123 ( -2.410 1.160 3.234) 4.196 3.255 ( -2.748 0.145 3.361) 4.344 3.339 ( -3.958 1.902 -1.757) 4.730 3.367 ( -3.987 -4.695 3.284) 6.980 3.444 ( 4.379 1.345 2.951) 5.450 3.492 ( 2.604 0.237 2.039) 3.316 3.582 ( -1.964 -3.564 -4.360) 5.964 3.697 ( 4.857 0.058 -2.230) 5.345 3.754 ( 2.198 -3.794 3.288) 5.480 3.777 ( -0.577 3.461 -0.951) 3.635 3.825 ( -4.510 0.306 0.465) 4.544 3.927 ( 0.035 -5.730 6.267) 8.491 3.976 ( -2.001 2.640 0.992) 3.458 4.073 ( 1.053 0.501 4.520) 4.668 4.113 ( -0.373 5.856 3.623) 6.896 4.256 ( -4.310 2.411 -1.734) 5.234 4.302 ( 3.377 1.455 -1.665) 4.036 4.337 ( -1.401 3.551 3.544) 5.209 4.533 ( -1.306 2.725 7.935) 8.491 4.728 ( -0.168 -2.688 1.804) 3.241 4.807 ( 5.111 -0.029 -0.979) 5.204 4.850 ( -4.557 -0.367 0.515) 4.601 4.922 ( 3.864 -0.485 -2.871) 4.838 5.015 ( -0.239 -4.824 -1.096) 4.953 5.091 ( -1.114 0.793 -3.071) 3.362 5.147 ( 1.500 -0.609 -6.874) 7.062 5.233 ( 1.973 1.333 -3.176) 3.970 5.313 ( 2.001 0.761 -1.701) 2.734 5.563 ( 2.520 2.545 2.940) 4.634 5.766 ( 1.746 -2.030 -4.076) 4.877 6.352 ( -2.882 1.895 3.155) 4.675 6.471 ( -2.172 -0.642 2.848) 3.639 8.568 ( -1.075 2.189 -2.681) 3.624 8.793 ( -0.281 -2.740 -2.857) 3.968 10.412 ( -2.399 -0.259 -0.352) 2.438 10.437 ( -2.492 -0.641 -1.552) 3.005 11.086 ( 0.354 0.671 0.773) 1.083 11.142 ( 0.229 -0.703 0.037) 0.740 11.368 ( 0.592 0.142 2.544) 2.616 11.389 ( 0.286 -0.339 1.452) 1.518 14.476 ( 0.314 0.423 -3.844) 3.880 14.525 ( 1.170 -0.775 -5.418) 5.597 14.776 ( -0.533 0.454 -0.027) 0.701 14.842 ( 0.100 0.921 0.458) 1.034 14.892 ( 0.874 -0.432 -0.927) 1.345 14.916 ( -0.125 -1.866 2.350) 3.003 15.003 ( -3.617 1.358 -3.841) 5.447 15.053 ( -2.768 0.450 -3.557) 4.529 15.344 ( 3.516 1.400 2.072) 4.315 15.434 ( 2.860 -0.648 1.002) 3.099 16.759 ( 1.416 0.688 1.886) 2.456 16.830 ( -1.040 -0.865 2.810) 3.118 20.529 ( -7.891 0.515 2.832) 8.399 20.628 ( -10.740 -1.977 -0.464) 10.930 21.841 ( -0.076 0.164 -0.053) 0.189 21.851 ( -0.333 -0.039 -0.196) 0.389 23.154 ( -0.012 -0.089 1.094) 1.097 23.167 ( -0.816 -0.123 1.418) 1.641 28.235 ( -1.375 0.798 -0.087) 1.592 28.341 ( -4.159 -1.837 0.297) 4.557 28.972 ( -0.715 -0.449 0.668) 1.077 28.982 ( 0.071 -0.277 -0.152) 0.324 32.796 ( 0.136 0.333 -1.026) 1.087 32.894 ( -4.127 -1.141 0.373) 4.298 33.064 ( 1.172 6.883 1.122) 7.072 33.388 ( -6.684 -1.881 1.985) 7.222 33.709 ( 3.010 1.021 5.697) 6.524 33.876 ( 5.830 -3.851 -1.173) 7.086 34.042 ( 6.404 3.586 -1.194) 7.437 34.245 ( 9.298 -2.258 -8.218) 12.613 ======================= Grid point 103 (56/96) ======================= q-point: ( 0.44 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -5.951 -0.134 5.062) 7.814 1.363 ( 2.785 -1.676 -7.864) 8.510 1.901 ( -2.255 -1.419 5.638) 6.236 2.046 ( 2.138 -7.743 -1.485) 8.169 2.258 ( 7.098 -0.542 8.878) 11.380 2.329 ( 1.574 3.471 2.384) 4.496 2.426 ( -1.716 2.769 -1.504) 3.588 2.471 ( -1.017 6.005 0.960) 6.166 2.553 ( 3.251 2.061 -0.208) 3.855 2.674 ( -3.715 5.734 -5.999) 9.092 2.724 ( 1.423 -8.556 0.015) 8.674 2.821 ( 1.304 -3.284 -2.822) 4.522 2.942 ( 0.446 -0.328 -1.177) 1.300 3.028 ( -0.023 -8.575 1.531) 8.711 3.105 ( 0.377 1.598 -0.271) 1.664 3.185 ( -4.514 -0.244 4.132) 6.124 3.273 ( -2.315 -2.271 3.978) 5.132 3.344 ( 0.530 -2.658 1.712) 3.206 3.483 ( -2.582 -3.157 -4.491) 6.066 3.551 ( 1.600 -0.030 0.184) 1.611 3.591 ( 4.220 3.033 1.681) 5.462 3.660 ( -4.296 5.929 1.990) 7.588 3.730 ( -1.112 -3.785 -2.545) 4.695 3.797 ( -3.221 -1.105 2.519) 4.236 3.852 ( 3.286 1.157 2.390) 4.225 3.888 ( -2.649 -2.873 2.038) 4.408 3.960 ( -0.129 1.505 0.980) 1.801 4.111 ( -1.602 5.046 1.302) 5.452 4.154 ( 3.417 4.202 2.548) 5.985 4.165 ( -2.449 3.106 -0.532) 3.991 4.324 ( -0.597 1.262 3.438) 3.711 4.392 ( 3.485 2.640 2.448) 5.011 4.509 ( -3.227 2.487 9.763) 10.579 4.655 ( -6.689 0.301 2.618) 7.189 4.831 ( 2.689 -4.185 -0.071) 4.975 4.894 ( 3.149 -0.856 -0.768) 3.353 4.951 ( -3.978 -3.085 -1.071) 5.147 5.004 ( 3.502 -1.403 -5.274) 6.485 5.067 ( -0.051 1.948 -2.030) 2.814 5.163 ( 1.499 -0.703 -6.208) 6.425 5.314 ( 8.026 0.497 0.785) 8.080 5.350 ( 2.722 -0.386 -2.539) 3.743 5.617 ( 2.097 1.946 3.230) 4.315 5.785 ( 1.562 -1.856 -3.339) 4.127 6.331 ( -0.422 1.245 3.781) 4.003 6.439 ( -2.207 -1.101 2.935) 3.834 8.540 ( -0.931 2.254 -1.993) 3.150 8.753 ( -2.449 -2.742 -4.765) 6.018 10.371 ( -1.699 -0.227 -0.818) 1.899 10.392 ( -1.546 -0.572 -1.931) 2.539 11.102 ( 0.888 0.402 1.200) 1.546 11.142 ( -0.172 -0.605 -0.044) 0.631 11.389 ( 0.659 0.167 2.828) 2.909 11.406 ( 0.843 -0.204 2.075) 2.249 14.470 ( 0.229 0.592 -3.847) 3.899 14.522 ( 0.294 -0.656 -5.865) 5.909 14.757 ( -1.495 0.694 -0.949) 1.902 14.840 ( -0.697 1.132 -0.720) 1.512 14.871 ( -2.492 -2.113 -0.742) 3.351 14.922 ( -0.230 -1.072 0.272) 1.129 14.943 ( -0.999 1.807 -2.620) 3.335 15.015 ( 0.379 0.120 -3.104) 3.129 15.415 ( 3.035 1.121 2.578) 4.137 15.477 ( 1.308 -0.212 0.993) 1.656 16.800 ( 1.908 0.200 2.676) 3.293 16.828 ( -0.194 -0.221 3.034) 3.049 20.404 ( -5.612 0.545 1.137) 5.752 20.458 ( -7.065 -0.733 -0.752) 7.142 21.840 ( -0.018 0.076 -0.060) 0.099 21.844 ( -0.319 0.000 -0.152) 0.354 23.154 ( -0.455 -0.054 1.633) 1.696 23.163 ( 0.077 -0.086 1.132) 1.138 28.222 ( -0.064 0.546 0.092) 0.557 28.275 ( -2.919 -0.728 -0.023) 3.009 28.953 ( -1.101 0.129 0.846) 1.395 28.992 ( 0.751 -0.712 -0.617) 1.205 32.808 ( 1.656 -0.429 -1.384) 2.201 32.826 ( -3.067 -0.384 -0.113) 3.093 33.101 ( 2.223 3.769 2.296) 4.941 33.274 ( -5.570 -0.390 1.193) 5.709 33.761 ( 0.706 0.656 5.108) 5.198 33.915 ( -1.656 -4.305 4.966) 6.778 34.161 ( 6.671 4.160 -6.532) 10.221 34.384 ( 7.779 -2.230 -7.566) 11.078 ======================= Grid point 104 (57/96) ======================= q-point: (-0.44 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -3.060 -2.100 3.755) 5.279 1.431 ( 5.910 -6.069 -7.906) 11.587 1.812 ( -7.998 -2.790 4.605) 9.641 1.999 ( -9.405 -1.729 3.193) 10.081 2.119 ( -15.142 4.977 0.495) 15.947 2.294 ( 0.458 -2.045 3.960) 4.480 2.468 ( 1.045 0.492 -8.608) 8.686 2.511 ( 3.875 1.734 3.653) 5.601 2.641 ( -1.225 0.771 -1.840) 2.341 2.672 ( 6.691 4.843 4.329) 9.325 2.710 ( -3.475 -6.101 7.013) 9.924 2.864 ( 1.468 -1.851 -3.779) 4.456 2.905 ( -0.462 -2.907 -2.176) 3.660 3.066 ( 1.358 -1.145 -4.437) 4.779 3.088 ( -0.078 -1.699 1.695) 2.401 3.180 ( 0.687 0.925 5.970) 6.080 3.296 ( 2.839 -3.563 6.599) 8.019 3.364 ( 0.326 0.982 -5.897) 5.988 3.426 ( 0.511 -4.623 3.494) 5.817 3.523 ( -3.704 1.095 1.366) 4.097 3.601 ( -2.294 -0.121 -0.022) 2.298 3.642 ( -3.478 -0.033 -0.915) 3.597 3.695 ( -0.947 1.993 1.644) 2.751 3.758 ( -0.098 4.866 4.228) 6.447 3.841 ( -3.359 -3.660 -0.973) 5.062 3.884 ( -2.483 -0.036 3.618) 4.388 3.987 ( 2.300 0.505 -0.335) 2.378 4.041 ( -3.521 3.952 -1.927) 5.633 4.081 ( -5.505 2.654 1.782) 6.366 4.227 ( 2.230 7.063 0.872) 7.457 4.268 ( -5.486 3.200 3.082) 7.060 4.450 ( 3.326 0.885 2.278) 4.127 4.533 ( 0.688 -1.158 8.002) 8.114 4.589 ( -1.421 3.048 2.439) 4.154 4.844 ( -2.081 -2.562 2.594) 4.198 4.909 ( 2.795 -4.609 -3.082) 6.209 4.936 ( 1.184 1.324 -0.730) 1.920 5.031 ( 0.693 0.261 -4.264) 4.328 5.063 ( -0.446 1.593 -2.939) 3.372 5.157 ( 0.331 -1.917 -6.558) 6.840 5.395 ( 2.738 0.334 -3.942) 4.811 5.542 ( 14.436 -2.918 2.101) 14.877 5.662 ( 2.000 1.441 2.813) 3.741 5.804 ( 1.768 -2.427 -4.246) 5.200 6.355 ( 1.411 0.425 4.595) 4.825 6.409 ( -1.773 -0.911 2.709) 3.363 8.528 ( 0.241 1.803 -0.158) 1.826 8.682 ( -3.197 -1.801 -5.424) 6.549 10.347 ( -0.471 -0.111 -0.768) 0.908 10.369 ( -0.280 -0.562 -1.673) 1.787 11.125 ( 1.209 -0.031 1.220) 1.718 11.137 ( -0.351 -0.368 -0.159) 0.533 11.405 ( 0.101 0.225 2.352) 2.365 11.428 ( 0.718 -0.255 1.914) 2.060 14.461 ( -0.063 0.422 -3.175) 3.203 14.501 ( -0.521 -0.544 -5.638) 5.688 14.717 ( -2.092 0.940 -1.315) 2.644 14.797 ( -2.193 -0.180 -2.552) 3.370 14.847 ( -0.600 -0.246 0.874) 1.089 14.895 ( -1.391 -0.884 -0.784) 1.825 14.940 ( 0.102 1.880 -0.941) 2.105 15.043 ( 2.774 -0.863 -2.111) 3.591 15.464 ( 1.185 0.839 2.308) 2.727 15.488 ( -0.337 0.323 0.212) 0.513 16.833 ( 0.086 -0.009 2.731) 2.733 16.843 ( 1.127 -0.095 2.275) 2.541 20.338 ( -1.649 0.459 1.888) 2.548 20.362 ( -3.121 -0.100 0.712) 3.203 21.839 ( -0.167 0.056 -0.111) 0.209 21.841 ( 0.071 0.020 -0.036) 0.082 23.152 ( -0.213 0.149 1.609) 1.630 23.170 ( 0.301 -0.245 1.095) 1.162 28.230 ( -1.486 0.039 -0.104) 1.490 28.231 ( 0.558 0.038 0.598) 0.819 28.940 ( -0.522 0.485 0.682) 0.986 29.004 ( 0.725 -1.010 -0.458) 1.325 32.783 ( -1.320 0.858 -0.373) 1.618 32.849 ( 2.925 -0.747 -1.258) 3.270 33.157 ( 2.249 1.160 3.496) 4.315 33.197 ( -2.407 0.975 0.353) 2.621 33.766 ( -1.457 0.063 3.961) 4.221 33.859 ( -5.683 -2.738 4.961) 8.025 34.234 ( 3.240 3.504 -7.678) 9.041 34.487 ( 5.507 -2.887 -6.835) 9.240 ======================= Grid point 105 (58/96) ======================= q-point: (-0.33 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 2.393 -2.086 0.322) 3.191 1.445 ( -4.266 2.061 -0.123) 4.739 1.635 ( -12.254 3.771 7.016) 14.615 1.835 ( -15.795 6.429 3.729) 17.456 1.916 ( 3.855 -6.253 5.679) 9.285 2.311 ( -2.190 -5.473 -1.439) 6.068 2.415 ( -0.810 -4.687 -2.138) 5.215 2.561 ( -5.437 -1.122 0.415) 5.567 2.621 ( 0.047 3.161 -0.146) 3.165 2.625 ( -5.940 2.519 8.625) 10.771 2.751 ( 3.309 1.440 -0.875) 3.713 2.842 ( -0.989 -4.030 -4.136) 5.859 2.966 ( 3.861 -1.992 3.106) 5.341 3.073 ( 2.409 0.905 -0.646) 2.653 3.099 ( -0.682 -4.897 -3.225) 5.903 3.212 ( -1.382 -0.452 2.840) 3.191 3.284 ( -8.718 1.871 8.597) 12.386 3.342 ( 0.821 -1.015 2.196) 2.555 3.451 ( -9.250 -0.171 2.022) 9.470 3.519 ( 1.556 0.629 0.732) 1.831 3.538 ( 6.127 2.774 4.201) 7.930 3.590 ( -1.080 -0.640 -3.153) 3.394 3.617 ( -4.479 -3.617 2.516) 6.283 3.760 ( 0.240 2.786 3.364) 4.375 3.826 ( -0.844 0.358 -3.784) 3.893 3.838 ( 1.155 3.943 1.186) 4.276 3.968 ( -4.275 -0.063 0.756) 4.342 3.995 ( -0.041 0.366 -0.561) 0.671 4.097 ( 0.553 -1.323 1.058) 1.782 4.125 ( -2.317 2.593 1.714) 3.877 4.321 ( 2.915 5.541 0.482) 6.279 4.465 ( -2.826 -3.866 4.099) 6.303 4.546 ( -0.251 0.343 4.823) 4.842 4.582 ( -0.943 5.653 -0.609) 5.764 4.849 ( 0.637 -1.430 2.798) 3.206 4.941 ( 2.033 -1.966 -4.568) 5.372 4.983 ( 3.604 2.509 -0.167) 4.395 4.993 ( -2.791 1.991 -4.229) 5.444 5.035 ( -1.175 0.850 -2.322) 2.737 5.145 ( 0.080 -2.758 -4.823) 5.557 5.410 ( -0.227 2.178 -3.931) 4.500 5.685 ( 1.689 -0.405 0.572) 1.829 5.772 ( 2.523 -0.329 0.716) 2.643 5.902 ( 14.655 -6.809 -8.370) 18.199 6.393 ( -0.226 -0.473 2.671) 2.722 6.402 ( 1.483 -0.369 3.971) 4.255 8.551 ( 1.741 0.389 2.419) 3.006 8.610 ( -2.498 -0.835 -4.518) 5.230 10.350 ( 0.953 0.012 -0.172) 0.969 10.372 ( 0.892 -0.358 -0.707) 1.194 11.129 ( -0.340 -0.049 -0.278) 0.442 11.154 ( 1.397 -0.501 0.730) 1.654 11.405 ( -0.770 0.427 1.342) 1.605 11.441 ( 0.191 -0.362 1.074) 1.149 14.452 ( 0.074 -0.309 -2.123) 2.146 14.473 ( -0.634 -0.617 -4.803) 4.884 14.685 ( -0.691 1.713 0.428) 1.896 14.765 ( -0.534 0.428 -1.028) 1.235 14.840 ( -0.525 -0.255 0.952) 1.117 14.878 ( 0.106 -1.031 -0.140) 1.046 14.936 ( -0.114 2.453 -1.035) 2.665 15.085 ( 1.959 -1.664 -1.739) 3.103 15.464 ( -1.974 0.559 -0.016) 2.052 15.470 ( -1.400 0.708 0.742) 1.735 16.829 ( -1.223 0.382 1.099) 1.688 16.865 ( 0.480 -0.380 1.349) 1.481 20.351 ( 1.662 0.181 4.646) 4.937 20.359 ( 2.586 0.339 5.190) 5.809 21.837 ( -0.019 0.115 -0.043) 0.125 21.843 ( 0.116 -0.007 0.006) 0.116 23.155 ( -0.089 0.236 1.379) 1.402 23.179 ( 0.259 -0.333 0.994) 1.080 28.207 ( -0.547 0.595 0.191) 0.831 28.258 ( 1.507 -0.586 1.555) 2.244 28.937 ( -0.042 0.670 0.572) 0.882 29.015 ( 0.420 -1.170 -0.100) 1.247 32.775 ( 0.559 2.512 -0.396) 2.604 32.900 ( 2.417 0.074 -0.411) 2.453 33.170 ( 1.185 0.536 -1.248) 1.803 33.222 ( 1.758 -0.273 4.849) 5.165 33.733 ( -5.545 -0.766 5.714) 7.999 33.749 ( -4.276 -1.168 0.088) 4.434 34.234 ( -0.564 3.375 -8.566) 9.224 34.546 ( 2.835 -4.283 -7.472) 9.067 ======================= Grid point 106 (59/96) ======================= q-point: (-0.22 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 1.640 6.256 7.370) 9.805 1.335 ( -7.792 7.647 8.757) 13.996 1.477 ( -7.504 9.856 6.391) 13.938 1.605 ( -7.020 8.812 7.900) 13.760 2.063 ( 6.713 -15.326 4.398) 17.300 2.203 ( -6.972 -6.730 -2.408) 9.985 2.406 ( -10.719 -4.647 8.369) 14.371 2.438 ( -1.943 -1.522 5.188) 5.745 2.527 ( -2.388 5.642 3.783) 7.200 2.570 ( -5.923 6.415 -2.901) 9.201 2.728 ( -6.627 -3.245 -0.622) 7.405 2.848 ( -9.373 1.474 4.405) 10.460 2.921 ( 2.225 -0.429 2.487) 3.365 3.085 ( -0.620 0.420 -3.655) 3.731 3.111 ( 5.517 -4.550 -0.614) 7.178 3.152 ( 2.126 2.445 2.234) 3.935 3.248 ( -0.371 -0.319 1.058) 1.166 3.341 ( -1.624 0.964 -5.267) 5.595 3.433 ( 3.559 -0.204 5.089) 6.213 3.480 ( -3.929 2.522 -2.368) 5.235 3.535 ( 0.152 -1.399 -0.609) 1.533 3.613 ( 1.694 1.108 2.712) 3.384 3.709 ( 2.869 -4.523 -2.604) 5.955 3.781 ( 3.153 0.266 8.015) 8.617 3.788 ( -1.551 -0.177 -3.479) 3.813 3.864 ( 0.890 0.437 -0.205) 1.012 3.932 ( 1.296 0.872 0.426) 1.620 3.999 ( -0.815 0.651 6.416) 6.500 4.053 ( -1.023 2.739 4.961) 5.758 4.146 ( -2.768 -3.444 -0.879) 4.505 4.363 ( 3.244 0.067 -0.474) 3.279 4.418 ( -3.758 -5.393 6.419) 9.188 4.514 ( -3.477 5.599 0.620) 6.619 4.578 ( 0.943 2.989 -0.673) 3.205 4.859 ( -0.232 -0.407 1.440) 1.514 4.914 ( -3.330 4.192 -2.757) 6.022 4.950 ( 0.109 -1.133 -3.245) 3.439 4.995 ( -1.895 0.355 -2.449) 3.117 5.079 ( 4.638 2.060 -0.704) 5.124 5.125 ( -0.216 -0.338 -5.291) 5.306 5.358 ( -3.719 3.319 -3.944) 6.356 5.694 ( -0.721 -2.453 -3.086) 4.007 5.794 ( 1.313 1.742 -1.717) 2.777 6.104 ( 6.895 -5.465 -15.305) 17.654 6.431 ( 2.556 -1.249 3.362) 4.404 6.446 ( 3.934 -2.239 2.579) 5.209 8.566 ( -0.838 -0.255 -2.719) 2.856 8.601 ( 2.005 -1.673 4.017) 4.792 10.381 ( 2.112 0.097 0.928) 2.309 10.398 ( 1.869 -0.023 0.736) 2.008 11.124 ( -0.026 0.347 -0.392) 0.524 11.179 ( 1.064 -0.825 -0.308) 1.382 11.386 ( -1.389 0.758 0.621) 1.699 11.442 ( -0.262 -0.516 0.050) 0.581 14.451 ( 0.208 -0.897 -3.167) 3.298 14.454 ( 0.314 -1.240 -2.016) 2.387 14.705 ( 2.029 1.897 3.472) 4.447 14.772 ( 1.743 1.950 0.793) 2.732 14.832 ( -0.532 -0.307 0.764) 0.980 14.903 ( 1.768 -0.433 0.657) 1.935 14.937 ( 1.105 1.712 -0.111) 2.041 15.101 ( 0.355 -2.181 -1.702) 2.790 15.406 ( -4.005 0.356 -0.404) 4.041 15.425 ( -3.385 0.673 -0.341) 3.468 16.794 ( -2.269 0.990 -0.406) 2.509 16.868 ( -0.351 -0.445 0.237) 0.614 20.443 ( 5.283 -0.143 8.843) 10.302 20.492 ( 9.814 -0.670 11.693) 15.281 21.837 ( 0.093 0.122 0.057) 0.164 21.844 ( 0.056 -0.020 0.038) 0.071 23.155 ( -0.295 0.294 0.977) 1.062 23.185 ( -0.014 -0.388 0.853) 0.937 28.220 ( 1.954 0.621 1.771) 2.709 28.295 ( 1.759 -1.062 2.497) 3.234 28.939 ( 0.105 0.701 0.420) 0.824 29.016 ( -0.344 -1.138 0.203) 1.206 32.800 ( 2.327 4.632 -0.468) 5.205 32.926 ( 0.364 2.379 0.479) 2.454 33.221 ( 4.177 -1.564 -2.541) 5.133 33.250 ( -0.520 -1.122 4.906) 5.060 33.601 ( -7.233 0.831 2.941) 7.852 33.726 ( 0.167 -2.058 0.086) 2.067 34.159 ( -4.681 3.573 -9.871) 11.494 34.526 ( -2.755 -5.850 -10.652) 12.461 ======================= Grid point 107 (60/96) ======================= q-point: (-0.11 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -0.027 10.524 19.919) 22.528 1.225 ( -7.450 10.343 17.316) 21.502 1.375 ( -3.052 14.091 6.148) 15.674 1.626 ( 3.623 5.731 -0.517) 6.800 2.021 ( -13.264 -4.588 2.930) 14.338 2.150 ( 0.637 -12.200 8.653) 14.970 2.200 ( -16.533 2.035 22.798) 28.235 2.315 ( -7.893 -3.332 4.473) 9.664 2.403 ( -4.777 2.644 8.914) 10.453 2.621 ( 6.926 -0.600 1.360) 7.084 2.647 ( 2.033 8.166 -7.842) 11.503 2.813 ( 1.615 -7.571 -9.700) 12.410 2.988 ( 4.168 0.073 -5.513) 6.912 3.054 ( -0.286 -0.836 -7.367) 7.420 3.193 ( 0.924 3.330 -0.377) 3.476 3.214 ( 2.316 3.096 -0.276) 3.876 3.269 ( 4.810 -2.166 -1.388) 5.455 3.310 ( -0.904 0.349 1.127) 1.486 3.423 ( -0.192 0.833 1.633) 1.844 3.490 ( 1.804 3.749 -0.178) 4.164 3.580 ( 2.479 -4.145 4.784) 6.798 3.618 ( -0.965 0.094 -1.023) 1.409 3.717 ( -0.050 -1.830 0.825) 2.008 3.751 ( -0.368 -6.017 0.935) 6.100 3.887 ( 1.047 -0.734 1.609) 2.055 3.911 ( 0.803 -3.304 4.831) 5.908 3.939 ( 1.541 -0.318 0.941) 1.833 3.985 ( -1.819 3.327 2.290) 4.430 4.078 ( -2.392 -0.773 3.528) 4.332 4.092 ( 3.716 0.412 4.825) 6.104 4.333 ( -4.407 1.556 4.472) 6.469 4.426 ( -0.606 -1.449 1.806) 2.393 4.509 ( 3.792 -1.545 2.728) 4.920 4.578 ( -1.598 2.058 1.037) 2.805 4.844 ( -2.600 5.683 -2.915) 6.896 4.865 ( 0.446 -0.053 1.198) 1.279 4.932 ( -0.863 0.330 -2.323) 2.500 4.965 ( 0.187 1.394 -4.173) 4.404 5.074 ( -3.091 2.707 0.397) 4.128 5.154 ( 2.472 1.057 -7.082) 7.575 5.278 ( -2.193 2.176 -3.820) 4.913 5.643 ( -3.095 -5.222 -6.249) 8.712 5.789 ( -1.622 2.877 -5.341) 6.280 6.052 ( -5.406 -1.902 -19.154) 19.993 6.465 ( 0.813 -0.514 4.635) 4.733 6.565 ( 4.802 -4.594 -0.353) 6.655 8.564 ( 1.179 0.115 -0.914) 1.496 8.628 ( -0.503 -1.390 2.564) 2.959 10.430 ( 2.371 0.139 2.028) 3.123 10.443 ( 2.308 0.089 1.979) 3.042 11.124 ( 0.048 0.566 -0.739) 0.932 11.186 ( -0.067 -0.729 -1.591) 1.751 11.366 ( -0.811 0.600 0.970) 1.399 11.433 ( -0.540 -0.798 -0.616) 1.144 14.448 ( 0.758 -0.937 -2.664) 2.924 14.464 ( 1.076 -1.373 -1.635) 2.390 14.743 ( 0.862 0.256 2.260) 2.432 14.823 ( -0.220 -0.911 1.359) 1.651 14.861 ( 4.573 2.256 1.448) 5.301 14.923 ( 1.399 1.641 0.696) 2.266 15.003 ( 4.581 -0.571 1.881) 4.986 15.104 ( 1.499 -2.067 -1.055) 2.762 15.320 ( -4.712 0.451 0.456) 4.756 15.346 ( -4.580 0.453 -1.067) 4.725 16.764 ( -0.303 0.834 0.584) 1.062 16.854 ( -1.063 -0.259 -0.504) 1.204 20.582 ( 5.513 0.141 11.858) 13.077 20.810 ( 18.515 -7.554 13.129) 23.921 21.840 ( 0.113 0.070 0.092) 0.161 21.845 ( -0.035 -0.029 0.048) 0.066 23.150 ( -0.357 0.406 0.757) 0.930 23.183 ( -0.401 -0.317 0.619) 0.802 28.306 ( 5.709 -1.618 3.710) 6.998 28.338 ( 2.434 -1.076 3.076) 4.067 28.942 ( 0.120 0.603 0.265) 0.670 29.002 ( -1.176 -0.842 0.090) 1.449 32.860 ( 4.168 6.913 -0.819) 8.113 32.924 ( -0.250 4.639 -0.104) 4.647 33.211 ( -3.957 -1.595 4.460) 6.172 33.304 ( 3.951 -3.280 -3.548) 6.242 33.517 ( -1.575 3.436 1.142) 3.949 33.752 ( 2.116 -3.071 0.833) 3.822 33.965 ( -13.868 5.071 -11.171) 18.515 34.366 ( -9.473 -5.523 -11.351) 15.783 ======================= Grid point 108 (61/96) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -2.998 14.417 12.831) 19.531 1.441 ( -2.471 14.387 17.664) 22.915 1.574 ( -3.009 0.023 6.540) 7.200 1.699 ( -4.454 -10.052 9.877) 14.779 1.765 ( 0.427 9.161 3.146) 9.695 2.019 ( 0.932 -13.696 1.090) 13.771 2.068 ( 0.144 -0.525 9.028) 9.045 2.127 ( -3.118 -3.095 6.435) 7.792 2.572 ( -0.122 11.558 7.298) 13.670 2.617 ( 3.533 -0.856 -10.310) 10.932 2.672 ( -0.435 -1.637 -8.933) 9.092 2.853 ( -4.931 -10.084 -7.133) 13.300 2.980 ( 6.452 12.251 3.177) 14.206 3.084 ( 3.982 -0.405 0.135) 4.004 3.232 ( -1.487 -0.200 -2.114) 2.593 3.270 ( 1.279 -1.229 -2.730) 3.255 3.292 ( 2.237 0.832 1.590) 2.868 3.345 ( 5.463 1.912 2.174) 6.183 3.451 ( 1.889 -2.087 2.671) 3.880 3.474 ( -3.254 -8.162 3.867) 9.600 3.579 ( -1.717 0.549 2.044) 2.725 3.620 ( -2.920 -3.578 2.758) 5.379 3.653 ( 2.680 0.686 0.235) 2.777 3.663 ( 4.182 -2.669 1.092) 5.080 3.816 ( -6.104 1.982 2.219) 6.790 3.862 ( -3.320 -2.367 1.706) 4.420 3.950 ( 4.208 0.355 1.558) 4.501 4.007 ( 2.977 -3.794 1.502) 5.050 4.105 ( 0.594 3.789 5.451) 6.665 4.171 ( 1.649 -2.451 5.311) 6.077 4.419 ( 2.635 5.947 4.518) 7.919 4.468 ( -0.123 4.198 2.001) 4.652 4.531 ( -1.620 -2.879 1.823) 3.774 4.543 ( -0.580 -1.634 7.100) 7.309 4.834 ( -1.286 1.900 -1.300) 2.637 4.875 ( -1.171 -1.814 0.815) 2.307 4.993 ( 4.536 2.355 -6.166) 8.009 5.028 ( 5.008 -0.588 -5.973) 7.817 5.080 ( -4.482 4.408 0.916) 6.352 5.142 ( -1.553 -0.793 -2.330) 2.910 5.308 ( 0.524 3.029 -10.022) 10.483 5.396 ( -3.976 -6.178 -12.282) 14.312 5.736 ( -7.430 3.546 -11.225) 13.921 5.808 ( -8.430 -3.288 -13.852) 16.545 6.507 ( 0.471 1.923 4.489) 4.906 6.551 ( 0.724 -2.347 3.105) 3.959 8.617 ( 2.143 1.697 1.347) 3.047 8.642 ( 2.848 -0.536 0.894) 3.033 10.476 ( 1.098 0.439 1.929) 2.263 10.485 ( 1.392 -0.398 1.918) 2.403 11.132 ( -0.667 0.919 -0.999) 1.513 11.151 ( -1.093 -0.964 -1.625) 2.183 11.368 ( -0.698 0.857 0.347) 1.158 11.392 ( -0.895 -1.491 -0.371) 1.778 14.453 ( 1.578 -0.003 -1.779) 2.378 14.463 ( 1.716 -0.941 -1.853) 2.695 14.768 ( -0.012 0.696 1.767) 1.899 14.790 ( -0.761 -1.443 1.393) 2.145 14.911 ( -0.503 0.948 -0.917) 1.412 14.928 ( -0.971 -0.708 -1.464) 1.894 15.116 ( 4.221 1.554 1.930) 4.894 15.144 ( 4.036 -1.212 1.339) 4.422 15.267 ( -2.147 0.480 0.448) 2.245 15.273 ( -2.053 -0.160 0.750) 2.192 16.781 ( -0.424 1.080 0.751) 1.382 16.813 ( -0.774 -1.856 0.067) 2.012 20.734 ( 2.923 3.616 12.080) 12.943 20.863 ( 4.568 -10.140 10.400) 15.226 21.844 ( 0.202 0.066 0.079) 0.226 21.845 ( 0.180 -0.013 0.045) 0.186 23.160 ( -0.068 0.485 0.786) 0.926 23.170 ( -0.256 -0.462 0.502) 0.729 28.337 ( 0.555 0.349 3.029) 3.100 28.370 ( 2.486 -3.355 2.883) 5.074 28.959 ( 0.248 0.487 0.160) 0.570 28.970 ( -0.398 -0.559 -0.184) 0.711 32.971 ( -2.112 4.642 1.363) 5.279 33.046 ( -1.327 -2.500 0.929) 2.979 33.223 ( 6.611 4.619 -1.928) 8.292 33.289 ( 3.357 -2.513 -1.199) 4.361 33.641 ( 4.148 4.461 0.334) 6.101 33.727 ( 3.470 -3.900 1.118) 5.338 33.815 ( -13.485 11.737 -8.615) 19.845 34.030 ( -8.508 -9.444 -9.758) 16.025 ======================= Grid point 109 (62/96) ======================= q-point: ( 0.11 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 3.303 14.042 11.476) 18.434 1.557 ( -1.010 4.135 5.493) 6.950 1.564 ( 6.357 8.497 14.106) 17.652 1.729 ( 2.036 -7.455 9.936) 12.587 1.784 ( 2.334 8.675 6.326) 10.987 2.005 ( -1.541 -6.061 -3.241) 7.044 2.050 ( -1.970 -6.597 5.348) 8.718 2.115 ( -0.407 -9.327 4.460) 10.347 2.548 ( -1.696 8.091 -1.936) 8.491 2.663 ( 4.165 3.640 1.528) 5.739 2.707 ( 4.293 -5.212 -6.717) 9.524 2.819 ( 2.333 -8.451 -3.447) 9.421 3.084 ( 1.008 9.978 3.490) 10.618 3.139 ( 2.439 1.657 -0.840) 3.066 3.220 ( -2.741 2.059 -3.102) 4.623 3.263 ( 1.906 0.792 -3.826) 4.347 3.303 ( -0.915 1.524 1.980) 2.661 3.446 ( -0.341 -4.507 4.275) 6.222 3.464 ( 3.871 1.415 3.050) 5.128 3.505 ( -4.755 0.243 1.038) 4.873 3.516 ( 3.273 -1.430 -2.574) 4.402 3.589 ( 1.739 -6.603 6.824) 9.654 3.705 ( -2.357 1.144 1.175) 2.872 3.720 ( 0.227 0.467 4.136) 4.168 3.768 ( 3.971 -3.147 4.747) 6.943 3.792 ( -4.969 -4.052 0.284) 6.418 4.010 ( 1.099 -0.290 0.862) 1.426 4.023 ( -0.301 -0.719 1.177) 1.412 4.193 ( 4.507 -0.297 2.909) 5.373 4.214 ( 1.912 -2.350 2.494) 3.924 4.399 ( -0.923 4.030 -1.944) 4.569 4.446 ( -5.285 0.420 1.281) 5.454 4.517 ( 1.898 6.499 9.041) 11.295 4.616 ( 1.562 -3.096 10.902) 11.440 4.837 ( 1.962 0.686 -4.140) 4.633 4.862 ( -0.036 -1.331 -2.540) 2.868 4.937 ( -5.803 4.803 -2.651) 7.986 5.039 ( -5.595 -3.414 -3.379) 7.374 5.093 ( 3.776 1.425 -2.380) 4.686 5.129 ( 3.455 -1.919 -2.293) 4.569 5.294 ( 0.238 2.051 -11.013) 11.205 5.323 ( -0.026 -0.722 -13.445) 13.465 5.589 ( -3.419 3.160 -6.395) 7.910 5.661 ( -2.100 -4.000 -7.679) 8.909 6.501 ( -2.256 2.351 3.854) 5.047 6.543 ( -2.406 -1.553 3.618) 4.615 8.648 ( 0.977 3.376 -0.438) 3.542 8.701 ( 2.740 -1.677 -0.373) 3.234 10.484 ( -0.824 0.461 1.293) 1.601 10.497 ( -0.660 -0.818 1.037) 1.476 11.115 ( -0.784 0.476 -0.517) 1.053 11.125 ( -0.807 -0.427 -0.830) 1.234 11.359 ( -0.390 0.504 0.748) 0.982 11.377 ( -0.589 -1.256 0.139) 1.394 14.476 ( 1.401 0.201 -2.402) 2.788 14.486 ( 1.462 -0.724 -3.001) 3.416 14.777 ( 0.183 -0.028 1.664) 1.675 14.793 ( 0.931 -1.548 1.746) 2.512 14.889 ( -1.289 1.034 -0.373) 1.694 14.904 ( -0.896 -0.375 -0.879) 1.310 15.152 ( -0.648 1.540 0.770) 1.840 15.172 ( -1.058 -0.366 -0.252) 1.147 15.265 ( 1.764 1.397 0.400) 2.286 15.289 ( 2.562 -1.125 -0.224) 2.807 16.772 ( -0.707 1.164 0.811) 1.585 16.807 ( -0.250 -2.356 1.286) 2.695 20.766 ( -3.112 3.421 9.277) 10.366 20.882 ( -4.873 -8.770 6.364) 11.881 21.848 ( 0.129 0.192 -0.016) 0.232 21.851 ( 0.303 -0.138 -0.045) 0.336 23.160 ( -0.258 0.378 0.754) 0.882 23.169 ( -0.072 -0.535 0.703) 0.887 28.333 ( -1.643 1.518 1.960) 2.974 28.390 ( -1.179 -4.589 1.852) 5.087 28.964 ( 0.150 0.214 -0.012) 0.262 28.972 ( 0.508 -0.555 0.277) 0.802 32.922 ( -3.201 4.361 0.439) 5.428 32.998 ( -3.479 -3.184 0.815) 4.786 33.318 ( -0.846 4.961 -0.644) 5.073 33.370 ( 6.762 -1.355 -0.381) 6.907 33.613 ( -3.075 10.864 -3.631) 11.860 33.715 ( 1.061 2.991 0.344) 3.192 33.812 ( 5.421 -2.173 1.179) 5.958 33.920 ( 2.313 -9.365 -9.706) 13.684 ======================= Grid point 110 (63/96) ======================= q-point: ( 0.22 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -9.176 9.023 1.464) 12.952 1.501 ( -0.097 7.649 3.165) 8.279 1.732 ( 5.952 2.277 7.731) 10.018 1.787 ( 5.704 0.842 9.538) 11.146 1.965 ( 0.354 1.929 0.827) 2.128 2.013 ( 14.176 -2.616 8.314) 16.640 2.070 ( 4.772 -5.405 3.110) 7.852 2.202 ( 7.539 -13.718 7.369) 17.301 2.566 ( 3.860 10.322 -8.466) 13.896 2.741 ( 4.393 -5.271 -3.216) 7.578 2.778 ( 2.917 2.384 1.323) 3.993 2.852 ( 1.476 -3.823 -1.293) 4.297 3.000 ( -7.887 2.901 -0.236) 8.407 3.066 ( -8.045 -2.298 -3.838) 9.205 3.199 ( 0.709 5.506 -0.428) 5.568 3.293 ( -0.333 -1.965 3.876) 4.358 3.342 ( 2.386 4.494 0.189) 5.092 3.409 ( -3.999 -3.632 4.504) 7.033 3.437 ( -1.600 0.712 1.362) 2.219 3.461 ( -3.782 -1.098 -3.431) 5.223 3.579 ( -0.586 -0.650 -3.036) 3.160 3.632 ( -2.796 -4.375 2.216) 5.645 3.651 ( 3.198 3.640 3.794) 6.154 3.752 ( 3.422 -6.763 8.137) 11.120 3.799 ( 3.576 2.326 1.914) 4.675 3.845 ( 1.828 -2.960 3.640) 5.035 4.017 ( 0.553 1.040 -0.110) 1.183 4.034 ( 0.822 -1.382 2.131) 2.670 4.212 ( -2.095 2.175 3.847) 4.891 4.250 ( 0.475 -2.013 1.852) 2.776 4.373 ( -2.047 4.977 2.174) 5.804 4.430 ( 1.980 -0.205 0.005) 1.991 4.572 ( 0.948 5.454 7.142) 9.036 4.662 ( 0.093 -3.226 8.600) 9.185 4.801 ( -1.716 4.279 -4.649) 6.548 4.872 ( 1.308 -1.460 -5.063) 5.430 4.891 ( -0.713 -1.434 -2.979) 3.382 4.917 ( -3.006 -5.025 -1.344) 6.008 5.131 ( 0.815 1.535 -4.256) 4.597 5.152 ( 0.315 -0.897 -6.471) 6.541 5.262 ( 0.288 2.417 -6.684) 7.114 5.299 ( 1.209 -0.671 -7.026) 7.160 5.581 ( 2.369 4.122 -1.078) 4.875 5.667 ( 2.975 -4.403 -3.965) 6.630 6.456 ( -3.568 2.517 3.456) 5.568 6.496 ( -3.348 -1.400 3.478) 5.026 8.651 ( -0.169 4.114 -2.098) 4.621 8.730 ( 0.711 -3.516 -1.839) 4.031 10.456 ( -2.177 0.343 0.278) 2.221 10.470 ( -2.233 -0.918 -0.141) 2.419 11.103 ( -0.330 0.895 0.107) 0.960 11.120 ( 0.102 -0.841 0.137) 0.858 11.359 ( 0.097 0.421 1.458) 1.520 11.372 ( -0.103 -0.841 0.950) 1.272 14.487 ( 0.799 0.452 -3.453) 3.573 14.499 ( 1.184 -0.760 -4.025) 4.264 14.788 ( 0.471 1.035 1.437) 1.832 14.824 ( 1.206 -2.380 1.985) 3.326 14.874 ( -0.174 1.206 0.114) 1.224 14.893 ( -0.100 -0.543 -0.243) 0.603 15.110 ( -3.266 1.371 -2.049) 4.092 15.126 ( -3.111 -0.161 -2.459) 3.969 15.313 ( 3.036 1.902 0.661) 3.643 15.347 ( 3.402 -1.497 0.400) 3.738 16.766 ( -0.083 1.652 1.360) 2.141 16.806 ( -0.435 -2.253 1.999) 3.044 20.685 ( -7.336 2.249 5.351) 9.354 20.754 ( -9.286 -4.828 3.216) 10.949 21.848 ( -0.063 0.286 -0.078) 0.303 21.853 ( -0.053 -0.202 -0.146) 0.255 23.157 ( -0.294 0.429 0.907) 1.045 23.167 ( -0.424 -0.604 1.016) 1.256 28.297 ( -2.343 1.938 0.771) 3.137 28.351 ( -2.954 -3.636 0.925) 4.775 28.968 ( 0.153 0.267 0.012) 0.308 28.977 ( -0.121 -0.719 0.475) 0.870 32.863 ( -2.917 3.516 0.099) 4.569 32.929 ( -3.886 -2.988 0.508) 4.928 33.262 ( -3.476 9.287 -0.047) 9.917 33.404 ( -2.910 -5.624 1.205) 6.446 33.656 ( 5.039 4.404 1.621) 6.886 33.733 ( 2.749 -2.177 0.354) 3.524 33.952 ( 8.987 2.190 -2.179) 9.503 34.025 ( 9.472 -4.664 -7.717) 13.078 ======================= Grid point 111 (64/96) ======================= q-point: ( 0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( -9.800 7.992 -0.129) 12.646 1.402 ( -8.235 -3.098 -1.449) 8.917 1.854 ( 4.574 -0.194 1.995) 4.994 1.898 ( 3.993 -3.730 1.699) 5.722 2.101 ( 10.237 9.768 9.800) 17.212 2.231 ( 10.455 0.544 7.769) 13.037 2.306 ( 11.765 -2.128 4.287) 12.701 2.384 ( 7.800 -10.247 6.366) 14.366 2.593 ( 2.020 5.802 -12.435) 13.870 2.729 ( -6.647 -3.216 -4.319) 8.555 2.773 ( -1.840 1.841 -2.038) 3.306 2.876 ( -4.066 -3.827 -0.061) 5.584 2.885 ( 0.341 3.481 -1.539) 3.821 2.942 ( -2.040 -2.464 0.093) 3.201 3.192 ( -1.465 6.345 1.039) 6.594 3.239 ( -4.630 -0.126 5.324) 7.057 3.286 ( -7.881 -3.886 2.625) 9.171 3.344 ( -2.067 -3.872 -1.995) 4.821 3.436 ( 2.781 -1.992 0.285) 3.433 3.445 ( 0.238 -2.457 -3.578) 4.347 3.564 ( 3.291 3.736 1.322) 5.151 3.650 ( 2.120 -4.026 0.518) 4.579 3.766 ( 5.412 3.260 3.769) 7.357 3.805 ( -2.321 0.427 0.583) 2.431 3.837 ( -1.448 -1.259 3.965) 4.405 3.854 ( 1.923 -1.678 0.382) 2.581 4.035 ( 0.276 3.664 3.556) 5.114 4.083 ( 3.569 -0.606 4.041) 5.426 4.191 ( -1.170 2.274 3.662) 4.467 4.239 ( -1.841 -2.790 0.961) 3.478 4.378 ( 1.072 5.214 1.270) 5.473 4.413 ( -2.673 2.123 2.665) 4.331 4.596 ( -0.912 3.495 8.292) 9.045 4.666 ( -1.570 -3.613 6.703) 7.775 4.793 ( -0.580 0.612 -1.613) 1.820 4.856 ( -0.334 -3.670 -2.530) 4.470 4.894 ( 3.028 -0.235 -5.483) 6.268 4.920 ( 2.193 -1.812 -4.136) 5.020 5.118 ( -0.684 0.982 -3.272) 3.484 5.133 ( 0.702 -0.728 -4.396) 4.511 5.271 ( 2.002 2.398 -3.477) 4.674 5.310 ( 1.363 -1.221 -2.941) 3.464 5.630 ( 2.474 4.033 0.108) 4.732 5.708 ( 2.261 -3.760 -2.788) 5.198 6.399 ( -3.168 2.727 3.118) 5.215 6.447 ( -2.924 -1.931 3.021) 4.627 8.631 ( -1.013 4.180 -2.935) 5.207 8.720 ( -0.891 -4.505 -3.147) 5.567 10.411 ( -2.382 0.241 -0.656) 2.483 10.422 ( -2.423 -0.780 -1.057) 2.756 11.103 ( 0.224 1.027 0.634) 1.227 11.124 ( 0.174 -1.051 0.372) 1.129 11.372 ( 0.641 0.342 2.279) 2.392 11.381 ( 0.520 -0.462 1.871) 1.996 14.489 ( 0.672 0.808 -4.133) 4.265 14.507 ( 0.993 -1.000 -4.680) 4.888 14.796 ( -0.206 1.747 0.907) 1.979 14.840 ( -0.084 -2.279 1.433) 2.693 14.877 ( 0.076 0.879 -0.118) 0.890 14.897 ( 0.398 -0.802 0.119) 0.903 15.033 ( -3.381 1.451 -4.082) 5.496 15.053 ( -3.087 -0.503 -3.942) 5.032 15.378 ( 3.379 1.966 1.519) 4.194 15.413 ( 3.153 -1.481 1.171) 3.675 16.779 ( 0.845 1.322 2.183) 2.689 16.807 ( -0.041 -1.428 2.516) 2.893 20.547 ( -7.971 1.413 2.118) 8.368 20.584 ( -8.949 -2.293 0.945) 9.286 21.845 ( -0.178 0.220 -0.111) 0.304 21.849 ( -0.277 -0.146 -0.172) 0.357 23.155 ( -0.232 0.240 1.190) 1.236 23.161 ( -0.498 -0.364 1.217) 1.364 28.259 ( -1.688 1.671 0.173) 2.382 28.299 ( -2.665 -2.301 0.373) 3.540 28.967 ( -0.340 0.075 0.299) 0.459 28.974 ( -0.123 -0.474 0.008) 0.490 32.819 ( -1.595 1.952 -0.034) 2.521 32.862 ( -3.248 -2.124 0.323) 3.894 33.209 ( -2.104 7.260 0.187) 7.561 33.327 ( -4.660 -4.570 0.694) 6.564 33.742 ( 2.629 2.436 5.258) 6.363 33.802 ( 2.805 -3.598 3.242) 5.597 34.114 ( 9.044 3.777 -5.301) 11.143 34.187 ( 9.606 -3.550 -7.417) 12.644 ======================= Grid point 112 (65/96) ======================= q-point: ( 0.44 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -7.378 5.731 -1.219) 9.422 1.253 ( -5.037 -8.281 -6.360) 11.593 1.913 ( 0.339 1.360 2.216) 2.622 1.946 ( 0.932 -2.646 0.157) 2.810 2.284 ( 3.369 4.609 7.954) 9.791 2.400 ( -1.708 -0.838 8.771) 8.975 2.447 ( 3.447 0.079 1.747) 3.865 2.510 ( 5.745 0.742 -0.330) 5.802 2.557 ( -1.938 -4.776 -4.357) 6.749 2.580 ( -3.210 -0.821 -6.413) 7.218 2.775 ( 3.264 1.410 -0.423) 3.581 2.829 ( -2.139 1.880 0.869) 2.977 2.851 ( -0.404 -0.879 0.927) 1.340 2.947 ( 0.964 -2.602 -0.321) 2.794 3.146 ( -2.963 -0.131 2.424) 3.831 3.176 ( -1.751 -2.468 5.819) 6.559 3.229 ( 0.213 3.993 -1.991) 4.467 3.335 ( 0.496 -2.627 1.118) 2.898 3.419 ( -2.185 0.395 -2.588) 3.410 3.500 ( 2.624 -5.071 0.954) 5.789 3.631 ( 1.662 1.110 -2.400) 3.123 3.663 ( -1.618 -2.122 -4.488) 5.221 3.729 ( -3.206 2.293 2.901) 4.894 3.772 ( -1.455 -1.784 2.891) 3.696 3.858 ( 0.160 1.382 2.331) 2.715 3.884 ( -0.822 -0.393 3.211) 3.338 4.075 ( 3.152 8.179 -0.084) 8.765 4.180 ( -2.534 -0.171 -2.680) 3.692 4.192 ( 1.302 0.554 3.228) 3.525 4.203 ( 5.890 0.416 2.218) 6.308 4.376 ( -1.909 3.155 4.977) 6.194 4.413 ( -0.278 -0.445 4.290) 4.322 4.582 ( -3.211 4.749 8.076) 9.904 4.667 ( -0.610 -1.201 4.845) 5.029 4.738 ( -2.198 -1.536 0.975) 2.854 4.818 ( -3.559 -6.114 1.187) 7.173 4.940 ( 2.698 1.272 -3.373) 4.503 4.970 ( 3.332 -1.759 -4.920) 6.197 5.106 ( 0.210 2.000 -2.180) 2.966 5.143 ( 0.890 -1.560 -3.296) 3.753 5.329 ( 5.748 0.828 -2.416) 6.289 5.342 ( 3.522 -0.486 -3.482) 4.977 5.670 ( 1.707 3.271 0.422) 3.714 5.735 ( 1.470 -3.178 -2.356) 4.220 6.365 ( -1.402 2.146 3.309) 4.185 6.408 ( -2.140 -2.040 2.988) 4.204 8.601 ( -1.116 3.907 -2.865) 4.972 8.683 ( -1.735 -4.210 -3.965) 6.038 10.370 ( -1.608 0.202 -1.127) 1.974 10.379 ( -1.585 -0.692 -1.534) 2.312 11.113 ( 0.466 0.689 0.857) 1.194 11.128 ( 0.059 -0.816 0.397) 0.909 11.394 ( 0.720 0.314 2.657) 2.771 11.401 ( 0.798 -0.335 2.372) 2.525 14.486 ( 0.303 0.950 -4.212) 4.329 14.505 ( 0.325 -0.982 -4.937) 5.044 14.780 ( -1.633 1.747 -0.213) 2.401 14.823 ( -2.089 -2.536 -0.078) 3.286 14.868 ( -0.608 1.636 -0.679) 1.873 14.898 ( -0.551 -1.366 -0.595) 1.589 14.980 ( -0.673 1.782 -2.939) 3.502 15.008 ( -0.233 -0.931 -3.181) 3.323 15.442 ( 2.656 1.483 1.773) 3.521 15.466 ( 1.991 -0.916 1.196) 2.496 16.808 ( 1.235 0.579 2.688) 3.015 16.820 ( 0.476 -0.590 2.769) 2.871 20.419 ( -5.717 0.984 0.727) 5.846 20.440 ( -6.259 -1.100 0.028) 6.355 21.842 ( -0.119 0.093 -0.114) 0.190 21.843 ( -0.237 -0.046 -0.149) 0.284 23.155 ( -0.209 0.159 1.417) 1.441 23.159 ( -0.095 -0.245 1.231) 1.258 28.237 ( -0.730 0.957 0.147) 1.213 28.257 ( -1.807 -1.072 0.116) 2.105 28.959 ( -0.457 0.580 0.300) 0.797 28.975 ( 0.211 -0.929 -0.253) 0.986 32.806 ( 0.267 0.222 -0.218) 0.410 32.815 ( -1.637 -0.616 0.145) 1.755 33.185 ( -0.645 4.270 0.680) 4.372 33.251 ( -3.380 -2.256 0.383) 4.081 33.783 ( 0.003 1.828 5.335) 5.640 33.836 ( -0.726 -3.537 5.082) 6.234 34.245 ( 6.618 4.324 -6.476) 10.219 34.325 ( 7.249 -3.722 -7.095) 10.805 ======================= Grid point 113 (66/96) ======================= q-point: (-0.44 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -2.060 6.102 -2.112) 6.778 1.209 ( 2.976 -13.577 -6.775) 15.463 1.860 ( -5.650 5.287 2.614) 8.167 1.951 ( -1.712 -3.483 2.044) 4.386 2.231 ( -12.350 6.001 0.762) 13.752 2.279 ( -4.061 0.825 6.325) 7.562 2.417 ( -7.640 -3.667 -1.956) 8.697 2.468 ( -2.812 -8.251 1.469) 8.840 2.600 ( 3.647 1.777 2.045) 4.543 2.642 ( 3.228 -1.634 1.477) 3.908 2.819 ( 0.017 6.097 1.061) 6.188 2.856 ( 1.250 -1.272 0.357) 1.819 2.876 ( 5.046 2.386 2.029) 5.939 2.988 ( 3.173 -5.383 -0.840) 6.305 3.143 ( -0.574 4.310 -0.272) 4.356 3.204 ( -0.620 2.210 1.666) 2.837 3.223 ( 3.625 -3.432 5.053) 7.103 3.291 ( -4.689 -6.205 -3.395) 8.486 3.414 ( 3.412 3.803 2.059) 5.508 3.520 ( -0.090 -4.887 0.514) 4.914 3.588 ( -3.963 0.028 0.037) 3.963 3.602 ( -2.322 -1.622 -3.262) 4.320 3.721 ( -0.901 2.921 1.312) 3.327 3.783 ( -0.674 -2.842 1.048) 3.103 3.841 ( -0.306 2.750 1.355) 3.081 3.883 ( 0.685 -1.342 1.052) 1.838 4.064 ( -3.819 3.772 -2.383) 5.873 4.087 ( -5.339 0.731 -3.111) 6.222 4.173 ( -6.312 8.097 6.489) 12.146 4.312 ( -7.040 -2.066 7.056) 10.180 4.357 ( 5.156 4.341 1.552) 6.916 4.418 ( 0.775 -2.360 3.878) 4.605 4.554 ( -0.072 6.243 4.327) 7.596 4.678 ( 0.773 2.686 2.820) 3.970 4.763 ( 2.255 -6.460 0.475) 6.859 4.796 ( 3.057 -4.400 0.462) 5.378 4.966 ( 1.487 1.643 -1.484) 2.667 5.005 ( 2.087 -2.372 -3.596) 4.787 5.096 ( -0.866 1.717 -2.660) 3.282 5.126 ( -1.401 -1.350 -4.975) 5.342 5.420 ( 5.556 2.360 -3.864) 7.167 5.478 ( 10.186 -3.331 -1.411) 10.809 5.700 ( 1.546 2.358 0.848) 2.944 5.751 ( 1.050 -2.812 -2.185) 3.712 6.367 ( 0.325 0.827 3.795) 3.897 6.387 ( -0.995 -1.195 3.104) 3.472 8.576 ( -0.709 2.907 -1.949) 3.571 8.634 ( -2.003 -2.908 -3.959) 5.305 10.348 ( -0.307 0.229 -1.030) 1.099 10.357 ( -0.243 -0.649 -1.398) 1.560 11.126 ( 0.628 0.076 0.878) 1.082 11.129 ( 0.023 -0.312 0.365) 0.481 11.412 ( 0.280 0.436 2.311) 2.368 11.421 ( 0.528 -0.453 2.130) 2.241 14.472 ( -0.426 0.732 -3.738) 3.833 14.487 ( -0.584 -0.786 -4.640) 4.743 14.743 ( -1.715 1.715 -0.801) 2.555 14.778 ( -1.838 -1.660 -1.228) 2.765 14.854 ( -0.797 0.960 0.091) 1.251 14.876 ( -1.246 -1.088 -0.638) 1.773 14.980 ( 0.873 2.125 -1.765) 2.897 15.018 ( 1.747 -1.673 -2.202) 3.271 15.482 ( 0.892 0.807 1.343) 1.803 15.491 ( 0.264 -0.105 0.511) 0.585 16.835 ( 0.486 0.177 2.503) 2.556 16.839 ( 0.713 -0.241 2.273) 2.395 20.349 ( -1.928 0.551 1.607) 2.570 20.358 ( -2.516 -0.333 1.144) 2.784 21.840 ( -0.078 0.065 -0.112) 0.151 21.841 ( 0.013 -0.019 -0.088) 0.091 23.157 ( -0.024 0.319 1.385) 1.422 23.164 ( 0.158 -0.379 1.182) 1.251 28.231 ( -0.750 0.046 0.200) 0.778 28.232 ( -0.130 0.001 0.416) 0.436 28.955 ( -0.101 1.065 0.235) 1.095 28.979 ( 0.364 -1.387 -0.205) 1.449 32.804 ( 0.507 1.264 -0.006) 1.362 32.829 ( 2.259 -1.210 -0.311) 2.581 33.187 ( 0.223 1.620 1.407) 2.157 33.207 ( -1.265 -0.239 0.318) 1.326 33.774 ( -2.519 0.863 4.311) 5.067 33.805 ( -3.981 -2.385 4.633) 6.557 34.318 ( 3.233 4.805 -6.915) 9.020 34.412 ( 4.233 -4.599 -6.726) 9.182 ======================= Grid point 114 (67/96) ======================= q-point: (-0.33 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 7.821 10.326 0.455) 12.962 1.321 ( 9.398 -14.369 0.000) 17.169 1.744 ( -7.384 8.979 3.932) 12.273 1.880 ( -6.434 -2.425 4.865) 8.423 1.991 ( -12.579 9.956 1.025) 16.075 2.182 ( -8.525 -8.294 2.062) 12.072 2.318 ( -1.808 -2.088 4.614) 5.378 2.406 ( -5.195 -9.639 6.569) 12.769 2.660 ( -0.688 2.235 2.117) 3.154 2.680 ( 1.932 0.608 4.463) 4.901 2.805 ( -0.040 4.202 -3.094) 5.218 2.896 ( -1.060 3.746 -3.245) 5.068 2.899 ( 1.215 -2.669 -1.189) 3.165 3.004 ( -1.411 -4.973 -3.013) 5.984 3.124 ( 0.963 4.295 -2.137) 4.893 3.206 ( -1.471 -2.056 -0.412) 2.562 3.270 ( 3.063 -0.276 4.656) 5.580 3.310 ( 2.420 -2.042 3.269) 4.551 3.458 ( -6.067 1.005 1.135) 6.254 3.499 ( 2.768 -2.834 0.605) 4.007 3.555 ( -1.890 -0.252 1.964) 2.737 3.569 ( 0.086 -1.260 2.407) 2.718 3.660 ( -2.355 6.901 2.902) 7.848 3.764 ( -1.283 -2.750 2.615) 4.006 3.848 ( -0.256 2.807 -2.931) 4.067 3.909 ( -0.040 -1.406 -0.634) 1.542 3.962 ( -3.841 1.903 -1.724) 4.620 3.989 ( -2.862 -0.610 1.167) 3.150 4.090 ( -3.385 2.556 3.089) 5.247 4.166 ( -7.332 -2.225 5.822) 9.623 4.393 ( -3.902 -0.398 5.305) 6.598 4.403 ( -1.881 0.708 3.676) 4.189 4.618 ( 3.749 6.991 0.955) 7.990 4.688 ( -0.925 3.136 0.826) 3.372 4.816 ( 2.459 -1.281 0.797) 2.885 4.869 ( 3.813 -5.232 -4.394) 7.824 5.010 ( 2.405 1.162 -1.032) 2.863 5.031 ( 1.107 -0.209 -1.995) 2.292 5.055 ( -1.487 1.477 -5.216) 5.621 5.084 ( 0.467 -2.359 -6.015) 6.478 5.496 ( 2.885 6.569 -4.797) 8.631 5.634 ( 4.147 -5.999 -4.447) 8.542 5.767 ( 3.889 -0.112 1.414) 4.139 5.785 ( 7.522 -3.089 -1.557) 8.280 6.387 ( -0.063 -0.039 3.017) 3.018 6.392 ( 0.799 -0.506 3.658) 3.778 8.565 ( -0.052 1.049 -0.354) 1.109 8.589 ( -1.559 -1.299 -2.931) 3.565 10.353 ( 1.121 0.328 -0.382) 1.229 10.362 ( 1.144 -0.547 -0.571) 1.391 11.131 ( 0.141 0.345 0.242) 0.444 11.142 ( 0.817 -0.648 0.583) 1.195 11.416 ( -0.421 0.724 1.417) 1.646 11.431 ( -0.054 -0.695 1.278) 1.456 14.450 ( -0.678 0.215 -2.883) 2.970 14.459 ( -0.862 -0.651 -3.866) 4.014 14.726 ( 0.171 2.216 0.631) 2.310 14.761 ( 0.329 -1.101 0.012) 1.149 14.841 ( -0.625 0.503 0.539) 0.967 14.858 ( -0.303 -1.037 -0.053) 1.081 14.990 ( 0.521 2.838 -1.754) 3.377 15.043 ( 1.246 -2.540 -1.932) 3.426 15.476 ( -1.862 0.533 -0.251) 1.953 15.480 ( -1.512 0.189 0.282) 1.550 16.839 ( -0.592 0.699 1.230) 1.534 16.854 ( 0.110 -0.707 1.364) 1.540 20.358 ( 1.792 0.362 4.501) 4.859 20.362 ( 2.350 -0.057 4.817) 5.360 21.839 ( 0.037 0.148 -0.051) 0.161 21.842 ( 0.092 -0.083 -0.040) 0.130 23.161 ( 0.022 0.438 1.194) 1.272 23.171 ( 0.152 -0.498 1.040) 1.164 28.223 ( -0.002 0.962 0.575) 1.121 28.242 ( 0.783 -0.957 1.100) 1.654 28.956 ( 0.139 1.322 0.257) 1.354 28.986 ( 0.307 -1.628 -0.009) 1.657 32.834 ( 2.644 3.219 -0.144) 4.168 32.886 ( 3.671 -1.777 -0.213) 4.084 33.188 ( 0.111 1.255 0.287) 1.292 33.211 ( 0.526 -0.932 2.357) 2.589 33.720 ( -5.196 -0.280 3.961) 6.539 33.727 ( -4.023 -0.912 1.621) 4.432 34.323 ( -0.306 5.572 -7.587) 9.418 34.440 ( 0.917 -6.122 -7.157) 9.463 ======================= Grid point 115 (68/96) ======================= q-point: (-0.22 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 10.866 15.725 6.970) 20.345 1.499 ( 4.677 1.282 4.799) 6.822 1.641 ( -2.191 3.831 8.353) 9.447 1.751 ( -8.270 1.644 3.611) 9.173 1.819 ( -5.140 1.365 3.740) 6.502 2.027 ( -7.599 -11.450 1.626) 13.838 2.274 ( -9.874 -4.591 10.283) 14.977 2.320 ( -4.561 -7.816 8.460) 12.388 2.619 ( -3.814 3.404 1.014) 5.212 2.656 ( -3.744 -0.061 -1.761) 4.138 2.785 ( 0.410 9.596 -10.016) 13.877 2.903 ( 0.626 2.029 1.989) 2.909 2.919 ( -1.065 -0.849 0.662) 1.515 2.984 ( 2.191 -7.690 -3.939) 8.914 3.105 ( -1.827 2.500 1.197) 3.320 3.158 ( 0.730 -1.802 3.181) 3.728 3.325 ( 0.055 6.888 3.731) 7.834 3.360 ( 1.336 1.062 1.078) 2.019 3.411 ( 1.308 -0.947 3.754) 4.087 3.501 ( -3.386 -5.295 1.298) 6.418 3.530 ( -0.761 1.857 -2.313) 3.062 3.555 ( 1.203 -1.761 -2.505) 3.290 3.702 ( 0.480 1.440 -0.589) 1.628 3.751 ( -1.163 -2.452 1.406) 3.056 3.808 ( -0.877 0.777 2.756) 2.995 3.827 ( -3.902 -2.391 0.970) 4.678 3.982 ( 3.743 3.387 0.577) 5.081 4.015 ( 0.805 0.997 6.734) 6.855 4.048 ( -0.831 -1.000 5.222) 5.381 4.102 ( -2.691 -3.581 0.146) 4.482 4.338 ( -2.429 0.006 4.402) 5.028 4.362 ( -2.230 -1.261 3.171) 4.076 4.638 ( -3.121 4.949 0.928) 5.924 4.653 ( -1.428 3.563 0.341) 3.854 4.851 ( 1.367 0.416 -0.219) 1.446 4.901 ( 0.728 -3.269 -1.617) 3.719 4.980 ( -1.866 0.788 -3.487) 4.033 4.988 ( -2.097 -0.666 -3.182) 3.869 5.098 ( 2.539 0.757 -4.335) 5.080 5.118 ( 4.243 -0.409 -6.605) 7.861 5.478 ( -2.748 7.952 -6.275) 10.496 5.618 ( -2.645 -5.645 -6.264) 8.837 5.848 ( 4.773 4.147 -2.014) 6.635 5.965 ( 8.528 -7.577 -8.273) 14.092 6.410 ( 1.995 -0.320 3.916) 4.406 6.418 ( 0.912 -0.925 3.928) 4.137 8.563 ( -0.323 0.041 -1.122) 1.168 8.573 ( 0.649 -1.021 1.450) 1.888 10.386 ( 2.222 0.406 0.735) 2.375 10.394 ( 2.146 -0.366 0.689) 2.284 11.137 ( 0.379 0.939 -0.127) 1.021 11.158 ( 0.779 -1.178 -0.127) 1.418 11.405 ( -1.034 1.115 0.478) 1.594 11.427 ( -0.610 -1.022 0.247) 1.216 14.435 ( -0.027 -0.386 -1.956) 1.994 14.437 ( -0.253 -0.535 -2.867) 2.927 14.750 ( 1.263 2.382 2.414) 3.618 14.786 ( 1.543 -0.908 1.680) 2.455 14.842 ( 1.117 1.509 0.809) 2.044 14.877 ( 2.399 -1.814 0.989) 3.166 14.989 ( 0.145 3.094 -1.464) 3.426 15.049 ( 0.130 -2.982 -1.726) 3.448 15.418 ( -3.984 0.749 -0.710) 4.116 15.429 ( -3.738 -0.248 -0.467) 3.775 16.820 ( -1.498 1.593 -0.013) 2.187 16.851 ( -0.676 -1.345 0.263) 1.528 20.450 ( 5.543 0.837 8.941) 10.553 20.472 ( 7.047 -1.262 9.658) 12.022 21.840 ( 0.062 0.165 0.035) 0.179 21.843 ( 0.047 -0.108 0.021) 0.119 23.163 ( -0.175 0.536 0.919) 1.078 23.175 ( -0.063 -0.592 0.874) 1.057 28.239 ( 1.496 1.326 1.664) 2.601 28.269 ( 1.513 -1.579 1.971) 2.944 28.959 ( 0.044 1.318 0.242) 1.341 28.988 ( -0.131 -1.580 0.143) 1.592 32.900 ( 4.261 4.773 -0.316) 6.406 32.956 ( 3.488 -0.406 0.214) 3.518 33.198 ( 0.621 -0.122 0.114) 0.643 33.219 ( -0.585 -1.772 2.716) 3.295 33.628 ( -4.328 1.991 1.545) 5.008 33.676 ( -1.656 -2.760 0.436) 3.248 34.256 ( -4.384 6.190 -8.968) 11.746 34.391 ( -3.899 -7.401 -8.955) 12.254 ======================= Grid point 116 (69/96) ======================= q-point: (-0.11 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -1.571 17.762 12.520) 21.788 1.495 ( -3.727 14.150 10.662) 18.105 1.638 ( -5.222 7.183 6.587) 11.057 1.715 ( 3.032 5.564 0.169) 6.338 1.802 ( -3.765 -16.775 12.334) 21.159 1.950 ( 2.379 -10.759 -2.517) 11.302 2.096 ( -9.500 -2.381 14.734) 17.692 2.208 ( -9.377 -7.171 13.233) 17.733 2.571 ( 0.410 0.968 -6.250) 6.338 2.598 ( -0.455 2.273 -6.965) 7.340 2.743 ( -3.604 8.460 -2.676) 9.577 2.874 ( 2.547 10.190 1.099) 10.561 2.969 ( -2.259 -8.306 -4.788) 9.849 2.991 ( 4.529 -1.460 -2.869) 5.556 3.180 ( 6.496 -1.301 2.716) 7.160 3.223 ( 3.496 -3.261 3.417) 5.876 3.302 ( -1.636 4.705 -2.725) 5.678 3.338 ( -4.980 2.184 -0.402) 5.452 3.429 ( 0.298 -0.972 1.942) 2.192 3.495 ( 2.020 -5.587 7.117) 9.271 3.542 ( 2.000 0.659 0.075) 2.107 3.552 ( 0.148 -3.969 1.323) 4.187 3.667 ( -1.017 1.203 -4.316) 4.595 3.700 ( -3.081 -1.953 -1.605) 3.985 3.841 ( 1.374 -1.540 5.873) 6.225 3.855 ( 3.458 -2.160 3.605) 5.443 3.962 ( -4.214 2.558 0.976) 5.025 4.009 ( -5.302 -1.177 1.718) 5.696 4.088 ( 1.306 0.971 4.889) 5.153 4.103 ( 3.467 -0.108 7.015) 7.826 4.343 ( 1.616 1.997 5.978) 6.506 4.394 ( 4.485 -2.539 2.168) 5.592 4.567 ( -3.990 4.363 1.084) 6.010 4.607 ( -3.475 0.336 0.594) 3.541 4.864 ( -0.511 1.093 0.748) 1.420 4.894 ( -1.174 -0.820 0.712) 1.599 4.953 ( 0.607 0.836 -4.010) 4.141 4.969 ( 2.028 -0.866 -4.768) 5.253 5.117 ( 0.875 2.355 -3.435) 4.256 5.154 ( 1.472 -0.858 -5.606) 5.859 5.379 ( -4.433 7.078 -8.463) 11.890 5.520 ( -4.995 -7.083 -8.470) 12.119 5.868 ( -1.939 5.282 -8.749) 10.402 5.979 ( -3.047 -5.395 -15.063) 16.288 6.462 ( 2.185 0.524 5.009) 5.490 6.491 ( 4.228 -2.590 3.884) 6.298 8.573 ( 1.555 0.924 0.711) 1.943 8.598 ( 1.450 -1.542 2.192) 3.047 10.435 ( 2.400 0.389 1.759) 3.001 10.442 ( 2.343 -0.209 1.769) 2.943 11.141 ( 0.065 1.146 -0.813) 1.407 11.166 ( 0.076 -1.289 -1.082) 1.685 11.384 ( -1.129 1.267 0.113) 1.701 11.411 ( -0.939 -1.380 -0.411) 1.719 14.435 ( 0.800 -0.300 -1.940) 2.119 14.440 ( 1.083 -0.845 -1.521) 2.049 14.766 ( -0.157 1.768 1.915) 2.612 14.799 ( -0.486 -1.491 1.672) 2.292 14.899 ( 2.735 1.767 0.305) 3.270 14.930 ( 1.657 -1.128 -0.156) 2.011 15.016 ( 3.961 2.008 1.437) 4.668 15.061 ( 2.612 -2.327 0.486) 3.532 15.332 ( -4.574 0.770 -0.099) 4.640 15.345 ( -4.653 -0.458 -0.387) 4.692 16.793 ( -1.171 2.011 -0.004) 2.327 16.833 ( -1.105 -1.826 -0.302) 2.156 20.601 ( 6.440 2.172 11.991) 13.783 20.675 ( 9.931 -5.530 12.720) 17.059 21.842 ( 0.064 0.108 0.090) 0.154 21.844 ( 0.004 -0.076 0.071) 0.104 23.161 ( -0.286 0.647 0.734) 1.020 23.174 ( -0.284 -0.614 0.690) 0.966 28.291 ( 3.008 0.234 3.038) 4.282 28.310 ( 2.127 -1.468 2.746) 3.771 28.959 ( -0.140 1.051 0.129) 1.068 28.981 ( -0.629 -1.193 0.046) 1.349 32.975 ( 2.214 4.663 1.123) 5.282 33.013 ( 3.273 2.057 -0.520) 3.901 33.187 ( -1.616 0.297 2.089) 2.658 33.235 ( 2.370 -3.606 -1.438) 4.549 33.592 ( 0.427 4.136 0.216) 4.163 33.676 ( 1.481 -4.382 0.308) 4.636 34.089 ( -10.511 7.299 -10.647) 16.647 34.235 ( -8.975 -7.438 -10.079) 15.409 ======================= Grid point 135 (70/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -1.512 0.000 8.427) 8.561 1.467 ( 1.220 0.000 -4.626) 4.784 1.554 ( 1.420 0.000 19.473) 19.525 1.656 ( 0.579 0.000 21.446) 21.454 1.850 ( -1.162 0.000 -9.261) 9.334 2.036 ( -3.571 0.000 -14.404) 14.840 2.299 ( -8.138 0.000 9.618) 12.599 2.404 ( 2.434 0.000 -3.676) 4.408 2.570 ( 3.788 0.000 5.702) 6.845 2.669 ( -5.961 0.000 -5.037) 7.805 2.766 ( 0.834 0.000 3.744) 3.836 2.794 ( 1.810 0.000 -3.461) 3.906 2.906 ( 2.678 0.000 14.022) 14.275 3.073 ( 8.453 0.000 1.717) 8.626 3.153 ( -2.678 0.000 0.489) 2.722 3.172 ( 4.581 0.000 -1.729) 4.897 3.250 ( 1.359 0.000 -1.456) 1.992 3.408 ( -4.915 0.000 -7.735) 9.165 3.479 ( -3.421 0.000 0.826) 3.519 3.515 ( 1.085 0.000 -8.637) 8.705 3.527 ( 1.897 0.000 0.275) 1.917 3.538 ( 2.308 0.000 -0.669) 2.403 3.781 ( -4.641 0.000 4.967) 6.798 3.794 ( 0.885 0.000 4.046) 4.142 3.894 ( 1.849 0.000 -1.126) 2.165 3.913 ( 0.266 0.000 -3.496) 3.506 4.048 ( 0.029 0.000 0.211) 0.213 4.062 ( 4.560 0.000 -1.690) 4.863 4.156 ( -0.036 0.000 5.491) 5.491 4.235 ( 3.403 0.000 -2.183) 4.043 4.390 ( -4.516 0.000 11.081) 11.966 4.543 ( -2.466 0.000 1.606) 2.943 4.565 ( -0.424 0.000 6.116) 6.131 4.622 ( 0.099 0.000 -5.152) 5.153 4.713 ( 8.897 0.000 -0.006) 8.897 4.746 ( -5.564 0.000 -4.272) 7.015 4.902 ( 0.586 0.000 2.799) 2.859 4.988 ( 1.103 0.000 3.120) 3.310 4.996 ( -2.285 0.000 -4.877) 5.386 5.043 ( 3.282 0.000 -2.010) 3.849 5.267 ( -0.097 0.000 2.315) 2.317 5.416 ( -8.874 0.000 -12.262) 15.136 5.533 ( -2.312 0.000 1.634) 2.831 5.645 ( 0.521 0.000 -8.229) 8.246 6.571 ( -0.336 0.000 3.292) 3.309 6.615 ( -0.556 0.000 -1.127) 1.257 8.590 ( -3.906 0.000 0.457) 3.932 8.599 ( 4.330 0.000 -0.438) 4.352 10.515 ( 0.458 0.000 1.569) 1.634 10.524 ( 0.990 0.000 0.725) 1.227 11.107 ( 0.658 0.000 -0.056) 0.660 11.121 ( -1.557 0.000 -1.558) 2.202 11.391 ( -0.160 0.000 1.257) 1.267 11.414 ( -0.238 0.000 -1.005) 1.033 14.441 ( 0.697 0.000 -0.593) 0.915 14.449 ( 0.211 0.000 -1.288) 1.306 14.823 ( 1.642 0.000 2.039) 2.618 14.858 ( -0.217 0.000 -1.433) 1.450 14.864 ( 1.322 0.000 1.698) 2.151 14.903 ( -2.950 0.000 -2.158) 3.655 15.113 ( 1.004 0.000 0.365) 1.068 15.122 ( 1.367 0.000 -1.088) 1.748 15.267 ( -2.178 0.000 1.068) 2.426 15.277 ( 0.585 0.000 0.018) 0.586 16.818 ( -2.879 0.000 1.137) 3.096 16.839 ( 3.697 0.000 -0.529) 3.735 20.948 ( 0.844 0.000 12.089) 12.119 21.159 ( 2.681 0.000 -9.488) 9.860 21.843 ( -0.162 0.000 0.005) 0.162 21.843 ( 0.254 0.000 0.016) 0.254 23.172 ( 1.189 0.000 0.548) 1.309 23.177 ( -1.046 0.000 0.027) 1.047 28.426 ( -2.604 0.000 3.856) 4.653 28.500 ( 5.046 0.000 -3.584) 6.190 28.966 ( 2.205 0.000 0.476) 2.256 28.974 ( -1.853 0.000 -0.378) 1.891 32.823 ( 2.549 0.000 0.790) 2.669 32.838 ( -2.206 0.000 -0.714) 2.318 33.212 ( -5.677 0.000 3.701) 6.777 33.285 ( 2.712 0.000 -3.655) 4.551 33.526 ( 2.215 0.000 3.255) 3.938 33.574 ( -3.875 0.000 -1.623) 4.201 33.920 ( 4.198 0.000 5.444) 6.875 34.055 ( -5.505 0.000 -8.177) 9.857 ======================= Grid point 136 (71/96) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -3.672 0.000 6.659) 7.604 1.415 ( -4.346 0.000 -2.871) 5.209 1.686 ( -1.776 0.000 20.694) 20.770 1.706 ( 7.614 0.000 14.543) 16.415 1.919 ( 9.119 0.000 -10.182) 13.668 1.969 ( 1.885 0.000 -14.007) 14.133 2.259 ( 1.221 0.000 8.445) 8.533 2.332 ( -6.949 0.000 0.222) 6.952 2.622 ( -0.253 0.000 -1.762) 1.780 2.647 ( 1.809 0.000 4.710) 5.045 2.823 ( 2.225 0.000 -3.551) 4.191 2.834 ( 3.232 0.000 -1.769) 3.684 2.971 ( -0.269 0.000 3.632) 3.642 3.112 ( 1.960 0.000 1.832) 2.683 3.135 ( -1.092 0.000 -0.628) 1.259 3.273 ( 3.319 0.000 0.502) 3.357 3.326 ( 2.699 0.000 9.777) 10.143 3.392 ( 10.806 0.000 -11.783) 15.988 3.407 ( -2.989 0.000 0.845) 3.107 3.526 ( 0.532 0.000 -2.299) 2.360 3.556 ( 0.579 0.000 -5.164) 5.197 3.565 ( 0.035 0.000 -4.104) 4.104 3.732 ( -0.434 0.000 5.386) 5.403 3.806 ( -1.197 0.000 3.228) 3.443 3.892 ( -1.273 0.000 -1.543) 2.000 3.912 ( 2.751 0.000 -6.099) 6.691 4.013 ( -3.140 0.000 -4.583) 5.555 4.061 ( -2.216 0.000 0.266) 2.232 4.228 ( 4.310 0.000 -0.547) 4.344 4.259 ( -0.335 0.000 -4.035) 4.049 4.336 ( -4.395 0.000 9.048) 10.059 4.394 ( -10.920 0.000 5.564) 12.256 4.609 ( 2.224 0.000 6.516) 6.885 4.620 ( -0.637 0.000 -7.020) 7.049 4.743 ( 5.690 0.000 -6.512) 8.648 4.827 ( 1.358 0.000 7.485) 7.608 4.934 ( -2.544 0.000 -2.599) 3.637 4.964 ( 6.191 0.000 -0.727) 6.233 5.027 ( 2.259 0.000 -0.504) 2.314 5.074 ( 0.835 0.000 -5.803) 5.863 5.262 ( -5.127 0.000 -1.914) 5.472 5.299 ( 1.565 0.000 11.222) 11.330 5.528 ( 0.517 0.000 5.005) 5.031 5.640 ( 1.720 0.000 -5.804) 6.054 6.534 ( -4.434 0.000 2.793) 5.241 6.571 ( -2.964 0.000 -0.280) 2.977 8.545 ( -1.132 0.000 -0.634) 1.297 8.694 ( 5.269 0.000 -0.549) 5.298 10.504 ( -1.804 0.000 -0.006) 1.804 10.518 ( -1.646 0.000 -1.156) 2.011 11.093 ( -0.889 0.000 -0.213) 0.914 11.125 ( 1.066 0.000 0.770) 1.315 11.391 ( -0.233 0.000 1.640) 1.657 11.405 ( -0.384 0.000 -0.566) 0.684 14.444 ( -0.314 0.000 -1.777) 1.804 14.449 ( 0.483 0.000 -1.348) 1.432 14.827 ( -2.357 0.000 -2.577) 3.493 14.840 ( -0.042 0.000 0.813) 0.815 14.858 ( -0.876 0.000 -0.403) 0.964 14.915 ( 2.780 0.000 2.772) 3.926 15.093 ( -2.711 0.000 -1.952) 3.341 15.109 ( -2.026 0.000 -2.576) 3.277 15.263 ( 1.068 0.000 2.166) 2.415 15.320 ( 3.530 0.000 1.061) 3.686 16.768 ( -2.250 0.000 0.660) 2.345 16.884 ( 1.151 0.000 -1.071) 1.573 20.916 ( -7.338 0.000 7.436) 10.447 21.052 ( -9.183 0.000 -10.484) 13.937 21.841 ( -0.069 0.000 -0.018) 0.072 21.849 ( 0.285 0.000 -0.187) 0.341 23.162 ( -0.406 0.000 0.045) 0.408 23.195 ( 0.775 0.000 0.298) 0.830 28.355 ( -5.161 0.000 1.378) 5.342 28.511 ( -1.973 0.000 -4.356) 4.782 28.953 ( -0.229 0.000 -0.524) 0.572 29.013 ( 1.909 0.000 0.123) 1.913 32.798 ( -1.624 0.000 -1.095) 1.959 32.876 ( 2.827 0.000 0.399) 2.855 33.125 ( -5.006 0.000 4.439) 6.690 33.363 ( 7.719 0.000 -0.876) 7.769 33.573 ( 1.824 0.000 -1.584) 2.416 33.622 ( 5.719 0.000 5.718) 8.087 33.949 ( -2.311 0.000 -7.870) 8.202 34.019 ( 4.091 0.000 7.605) 8.636 ======================= Grid point 137 (72/96) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -4.715 0.000 -1.532) 4.958 1.329 ( -3.849 0.000 2.616) 4.654 1.808 ( 8.940 0.000 15.739) 18.101 1.870 ( 6.811 0.000 1.855) 7.059 2.032 ( 5.912 0.000 -2.576) 6.448 2.049 ( 8.277 0.000 -14.250) 16.480 2.246 ( -0.960 0.000 1.651) 1.910 2.306 ( -0.777 0.000 6.662) 6.707 2.605 ( -0.740 0.000 2.080) 2.208 2.697 ( 2.625 0.000 5.058) 5.698 2.823 ( -0.432 0.000 -8.322) 8.333 2.853 ( 1.356 0.000 -1.298) 1.877 2.976 ( -1.400 0.000 0.246) 1.421 3.149 ( 2.031 0.000 0.958) 2.246 3.219 ( 5.779 0.000 3.220) 6.615 3.261 ( -2.841 0.000 -0.461) 2.878 3.332 ( -1.028 0.000 1.195) 1.576 3.406 ( 0.324 0.000 5.848) 5.857 3.492 ( -2.841 0.000 -0.230) 2.850 3.522 ( -0.089 0.000 -3.319) 3.320 3.526 ( -1.018 0.000 -4.514) 4.627 3.611 ( 7.411 0.000 -1.921) 7.656 3.769 ( -1.254 0.000 3.849) 4.048 3.799 ( 0.619 0.000 -3.476) 3.530 3.860 ( -1.347 0.000 -0.433) 1.415 3.970 ( 4.883 0.000 -11.310) 12.319 3.976 ( 3.249 0.000 -0.957) 3.387 4.028 ( 0.318 0.000 0.415) 0.523 4.201 ( -7.893 0.000 3.495) 8.633 4.216 ( -2.132 0.000 -3.541) 4.134 4.275 ( -4.046 0.000 6.453) 7.616 4.299 ( 1.729 0.000 -2.795) 3.286 4.580 ( -1.265 0.000 -4.076) 4.268 4.655 ( 0.104 0.000 7.859) 7.860 4.838 ( 5.667 0.000 -9.246) 10.845 4.862 ( 0.876 0.000 4.332) 4.419 4.907 ( 0.726 0.000 0.563) 0.919 5.033 ( -1.162 0.000 3.992) 4.158 5.048 ( -1.514 0.000 -5.083) 5.304 5.102 ( 5.961 0.000 -1.569) 6.164 5.185 ( -3.178 0.000 1.811) 3.657 5.363 ( 0.548 0.000 13.683) 13.694 5.578 ( 2.505 0.000 6.491) 6.957 5.674 ( 2.907 0.000 -3.349) 4.435 6.445 ( -4.962 0.000 1.831) 5.289 6.524 ( -1.716 0.000 -0.196) 1.727 8.528 ( -0.625 0.000 -1.271) 1.416 8.764 ( 1.972 0.000 -2.015) 2.819 10.456 ( -2.807 0.000 -1.041) 2.994 10.464 ( -3.123 0.000 -2.319) 3.890 11.088 ( 0.124 0.000 0.825) 0.835 11.145 ( 0.672 0.000 0.859) 1.091 11.398 ( 0.389 0.000 2.166) 2.200 11.401 ( 0.166 0.000 0.033) 0.169 14.429 ( -0.508 0.000 -1.957) 2.022 14.452 ( 0.369 0.000 -2.083) 2.116 14.783 ( -1.577 0.000 -1.311) 2.051 14.836 ( -0.424 0.000 -0.256) 0.495 14.854 ( 0.548 0.000 -0.556) 0.780 14.955 ( -0.041 0.000 -0.982) 0.983 15.020 ( -3.159 0.000 -0.508) 3.200 15.043 ( -3.543 0.000 -3.789) 5.188 15.313 ( 3.153 0.000 3.130) 4.443 15.400 ( 4.051 0.000 1.610) 4.359 16.753 ( 0.581 0.000 1.055) 1.205 16.884 ( -0.507 0.000 -0.182) 0.538 20.745 ( -11.181 0.000 1.545) 11.288 20.812 ( -12.071 0.000 -7.768) 14.355 21.840 ( -0.066 0.000 -0.049) 0.082 21.851 ( -0.044 0.000 -0.276) 0.279 23.162 ( 0.264 0.000 0.393) 0.473 23.200 ( -0.290 0.000 0.453) 0.538 28.268 ( -3.763 0.000 -0.380) 3.782 28.433 ( -4.396 0.000 -2.888) 5.260 28.956 ( 0.579 0.000 -0.617) 0.846 29.025 ( -0.631 0.000 0.560) 0.844 32.771 ( -0.777 0.000 -1.321) 1.533 32.922 ( 1.489 0.000 -0.794) 1.687 33.053 ( -3.608 0.000 4.830) 6.029 33.523 ( 1.895 0.000 -6.221) 6.504 33.588 ( 6.376 0.000 2.428) 6.823 33.745 ( 4.636 0.000 7.943) 9.197 33.958 ( 6.187 0.000 -9.275) 11.149 34.113 ( 2.700 0.000 9.782) 10.148 ======================= Grid point 138 (73/96) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 0.445 0.000 -6.401) 6.417 1.288 ( -2.813 0.000 6.470) 7.055 1.998 ( 7.221 0.000 -6.006) 9.392 2.076 ( 11.836 0.000 7.768) 14.157 2.085 ( 0.659 0.000 4.375) 4.424 2.140 ( 7.141 0.000 -6.122) 9.406 2.298 ( 1.620 0.000 -4.391) 4.680 2.329 ( 6.184 0.000 2.555) 6.691 2.604 ( -1.075 0.000 5.938) 6.034 2.717 ( -4.706 0.000 -7.671) 8.999 2.809 ( -1.163 0.000 4.865) 5.002 2.853 ( -0.793 0.000 0.208) 0.819 2.897 ( -1.992 0.000 -0.491) 2.052 3.129 ( -6.584 0.000 -4.177) 7.797 3.223 ( -2.573 0.000 -2.264) 3.427 3.241 ( 2.921 0.000 6.310) 6.953 3.368 ( 1.591 0.000 4.647) 4.912 3.448 ( -3.948 0.000 -2.294) 4.566 3.488 ( 4.829 0.000 -0.776) 4.891 3.514 ( 1.044 0.000 5.373) 5.474 3.559 ( 5.740 0.000 -1.696) 5.985 3.647 ( -1.945 0.000 -2.610) 3.255 3.723 ( -1.706 0.000 -0.180) 1.716 3.756 ( -2.160 0.000 -5.650) 6.049 3.842 ( 0.573 0.000 -0.033) 0.574 3.994 ( -2.520 0.000 4.213) 4.909 4.031 ( 0.075 0.000 -0.786) 0.789 4.069 ( 2.561 0.000 -1.266) 2.857 4.121 ( -1.738 0.000 -5.298) 5.576 4.181 ( -3.432 0.000 2.994) 4.555 4.282 ( 5.165 0.000 2.237) 5.628 4.342 ( 3.770 0.000 -1.455) 4.041 4.578 ( 4.402 0.000 -7.206) 8.444 4.671 ( -0.605 0.000 8.909) 8.930 4.861 ( -3.248 0.000 3.996) 5.149 4.886 ( 3.201 0.000 -5.428) 6.301 4.953 ( 3.125 0.000 -5.760) 6.553 4.988 ( -4.141 0.000 3.956) 5.727 5.006 ( -1.070 0.000 -2.526) 2.744 5.106 ( -3.698 0.000 0.723) 3.768 5.229 ( 5.168 0.000 2.829) 5.892 5.396 ( -1.153 0.000 10.495) 10.558 5.643 ( 1.969 0.000 6.073) 6.385 5.713 ( 2.133 0.000 -2.615) 3.375 6.385 ( -1.657 0.000 2.186) 2.743 6.501 ( -1.011 0.000 -0.146) 1.022 8.514 ( -0.461 0.000 -0.359) 0.585 8.748 ( -2.221 0.000 -4.626) 5.132 10.401 ( -2.565 0.000 -2.250) 3.412 10.401 ( -2.571 0.000 -1.280) 2.872 11.100 ( 0.786 0.000 1.109) 1.359 11.153 ( -0.073 0.000 0.475) 0.481 11.413 ( 1.001 0.000 0.702) 1.223 11.417 ( 0.787 0.000 2.264) 2.397 14.417 ( -0.090 0.000 -1.674) 1.677 14.449 ( 0.118 0.000 -2.550) 2.553 14.755 ( -1.195 0.000 -1.029) 1.577 14.815 ( -1.527 0.000 -3.474) 3.794 14.874 ( 1.657 0.000 -0.761) 1.823 14.904 ( -2.332 0.000 -2.785) 3.632 14.970 ( -2.378 0.000 -3.643) 4.351 14.997 ( -1.456 0.000 2.991) 3.327 15.389 ( 3.604 0.000 3.101) 4.755 15.469 ( 2.529 0.000 1.461) 2.921 16.791 ( 2.526 0.000 1.905) 3.164 16.875 ( -0.453 0.000 0.886) 0.996 20.544 ( -9.396 0.000 -1.257) 9.480 20.584 ( -9.628 0.000 -5.139) 10.914 21.839 ( -0.040 0.000 -0.091) 0.099 21.847 ( -0.253 0.000 -0.209) 0.328 23.171 ( 0.389 0.000 0.541) 0.667 23.192 ( -0.685 0.000 0.747) 1.013 28.221 ( -1.142 0.000 -0.484) 1.240 28.344 ( -4.119 0.000 -1.689) 4.452 28.967 ( 0.798 0.000 -0.917) 1.216 29.003 ( -1.692 0.000 1.052) 1.992 32.762 ( 0.366 0.000 -1.360) 1.408 32.897 ( -3.532 0.000 -0.605) 3.584 33.055 ( 2.133 0.000 3.799) 4.357 33.419 ( -7.066 0.000 -1.667) 7.260 33.793 ( 11.363 0.000 -4.236) 12.127 33.835 ( 2.170 0.000 8.168) 8.451 34.086 ( 9.478 0.000 -9.878) 13.689 34.164 ( -0.971 0.000 10.495) 10.540 ======================= Grid point 139 (74/96) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 7.725 0.000 -6.070) 9.825 1.230 ( -6.067 0.000 7.811) 9.891 2.055 ( -1.978 0.000 2.461) 3.158 2.145 ( 2.742 0.000 -5.617) 6.250 2.145 ( 5.100 0.000 -3.648) 6.270 2.272 ( -3.354 0.000 -4.966) 5.992 2.382 ( -2.490 0.000 4.885) 5.483 2.436 ( 11.850 0.000 -3.763) 12.433 2.544 ( -2.248 0.000 5.871) 6.287 2.630 ( 1.728 0.000 6.597) 6.819 2.799 ( 1.737 0.000 -4.731) 5.040 2.835 ( -2.380 0.000 0.128) 2.383 2.942 ( 0.199 0.000 4.330) 4.334 2.983 ( -4.356 0.000 -5.326) 6.881 3.154 ( -1.858 0.000 -2.150) 2.841 3.299 ( -3.810 0.000 -3.544) 5.203 3.348 ( -0.333 0.000 6.818) 6.826 3.438 ( 3.625 0.000 3.874) 5.305 3.521 ( 1.302 0.000 -2.850) 3.133 3.551 ( -6.157 0.000 2.895) 6.803 3.591 ( 4.005 0.000 4.934) 6.355 3.631 ( 0.489 0.000 3.974) 4.004 3.720 ( 0.717 0.000 -2.872) 2.961 3.744 ( 0.974 0.000 -4.931) 5.026 3.900 ( 4.410 0.000 -1.191) 4.568 3.947 ( -2.956 0.000 1.389) 3.266 3.993 ( -7.805 0.000 0.449) 7.818 4.017 ( -1.119 0.000 -4.800) 4.928 4.119 ( 0.946 0.000 0.936) 1.331 4.135 ( -0.221 0.000 1.154) 1.175 4.370 ( 1.478 0.000 3.181) 3.507 4.393 ( 1.868 0.000 1.329) 2.292 4.699 ( -3.085 0.000 10.859) 11.289 4.717 ( 11.382 0.000 -10.795) 15.687 4.749 ( -6.564 0.000 6.728) 9.400 4.931 ( -3.104 0.000 3.417) 4.617 4.941 ( 3.440 0.000 -4.079) 5.335 4.974 ( 0.581 0.000 -7.085) 7.109 4.993 ( 1.814 0.000 -3.594) 4.025 5.024 ( -4.790 0.000 0.799) 4.856 5.355 ( 8.123 0.000 0.303) 8.128 5.385 ( -2.423 0.000 5.277) 5.807 5.684 ( 0.730 0.000 3.966) 4.032 5.738 ( 1.424 0.000 -2.781) 3.124 6.394 ( 1.274 0.000 3.381) 3.613 6.476 ( -1.708 0.000 -0.341) 1.741 8.518 ( 0.893 0.000 1.964) 2.157 8.671 ( -3.725 0.000 -5.937) 7.008 10.358 ( -1.526 0.000 -0.745) 1.699 10.360 ( -1.024 0.000 -1.559) 1.865 11.121 ( 1.065 0.000 0.953) 1.429 11.147 ( -0.560 0.000 0.016) 0.560 11.435 ( 0.307 0.000 1.747) 1.774 11.436 ( 1.021 0.000 0.788) 1.290 14.416 ( 0.359 0.000 -1.104) 1.161 14.440 ( -0.267 0.000 -2.613) 2.627 14.725 ( -1.660 0.000 -0.673) 1.792 14.767 ( -1.565 0.000 -4.708) 4.961 14.876 ( -0.744 0.000 0.491) 0.892 14.894 ( 0.385 0.000 -1.286) 1.342 14.956 ( 2.135 0.000 -2.328) 3.159 14.965 ( -2.573 0.000 1.982) 3.248 15.458 ( 2.630 0.000 2.255) 3.465 15.498 ( 0.265 0.000 0.692) 0.741 16.843 ( 2.113 0.000 1.745) 2.740 16.872 ( -0.324 0.000 1.077) 1.124 20.408 ( -4.459 0.000 -0.330) 4.471 20.432 ( -5.067 0.000 -2.275) 5.554 21.838 ( 0.057 0.000 -0.069) 0.090 21.841 ( -0.258 0.000 -0.091) 0.274 23.179 ( 0.360 0.000 0.435) 0.565 23.182 ( -0.552 0.000 0.878) 1.037 28.219 ( 0.870 0.000 0.205) 0.894 28.272 ( -3.084 0.000 -0.949) 3.226 28.975 ( -1.510 0.000 1.267) 1.971 28.981 ( 1.021 0.000 -1.141) 1.531 32.780 ( 1.997 0.000 -1.210) 2.335 32.823 ( -3.672 0.000 -0.112) 3.673 33.130 ( 4.408 0.000 3.192) 5.443 33.284 ( -6.552 0.000 -1.088) 6.641 33.872 ( -0.786 0.000 7.071) 7.115 33.955 ( 7.408 0.000 -6.750) 10.022 34.137 ( -5.140 0.000 9.851) 11.112 34.229 ( 8.676 0.000 -9.980) 13.224 ======================= Grid point 140 (75/96) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -6.547 0.000 5.030) 8.256 1.363 ( 6.610 0.000 -5.824) 8.810 1.991 ( -14.201 0.000 2.363) 14.396 2.012 ( -1.619 0.000 6.425) 6.626 2.168 ( -7.154 0.000 5.990) 9.331 2.239 ( 2.647 0.000 -6.428) 6.952 2.374 ( 2.328 0.000 0.034) 2.328 2.470 ( -0.469 0.000 -3.288) 3.322 2.650 ( -2.128 0.000 -1.000) 2.351 2.720 ( -3.715 0.000 0.271) 3.724 2.726 ( 4.026 0.000 0.558) 4.065 2.854 ( 5.174 0.000 -4.758) 7.029 2.898 ( 1.361 0.000 2.709) 3.032 3.023 ( 5.398 0.000 -1.132) 5.516 3.168 ( -5.550 0.000 -5.659) 7.926 3.211 ( 6.138 0.000 3.383) 7.008 3.390 ( -0.926 0.000 9.542) 9.587 3.470 ( -1.231 0.000 -2.006) 2.354 3.479 ( -1.560 0.000 2.547) 2.987 3.532 ( -0.275 0.000 -0.229) 0.358 3.638 ( -1.249 0.000 4.986) 5.140 3.644 ( -2.206 0.000 2.775) 3.545 3.720 ( -1.186 0.000 -2.750) 2.994 3.723 ( 1.236 0.000 -3.940) 4.129 3.839 ( -5.093 0.000 4.220) 6.614 3.945 ( 0.146 0.000 0.818) 0.831 3.958 ( -3.354 0.000 1.320) 3.604 3.985 ( 5.821 0.000 -2.058) 6.174 4.131 ( -3.377 0.000 1.538) 3.711 4.152 ( 3.328 0.000 -0.549) 3.373 4.336 ( -8.531 0.000 8.349) 11.936 4.426 ( 1.055 0.000 -2.214) 2.453 4.552 ( -4.720 0.000 3.101) 5.648 4.766 ( -1.996 0.000 9.607) 9.813 4.872 ( 6.820 0.000 -5.888) 9.010 4.892 ( -1.537 0.000 3.110) 3.469 4.908 ( -2.935 0.000 -8.458) 8.953 4.962 ( -1.455 0.000 1.328) 1.970 4.986 ( 1.947 0.000 -1.282) 2.331 5.064 ( 5.171 0.000 -4.263) 6.702 5.349 ( -1.967 0.000 -0.499) 2.030 5.532 ( 11.264 0.000 -7.476) 13.519 5.697 ( -0.167 0.000 1.956) 1.963 5.746 ( 0.350 0.000 -3.025) 3.046 6.437 ( -1.975 0.000 -0.778) 2.123 6.437 ( 1.845 0.000 3.470) 3.930 8.564 ( 2.876 0.000 4.592) 5.418 8.589 ( -2.865 0.000 -5.014) 5.775 10.343 ( 0.071 0.000 0.214) 0.225 10.353 ( 0.562 0.000 -0.413) 0.698 11.134 ( -0.749 0.000 -0.407) 0.853 11.144 ( 1.080 0.000 0.480) 1.182 11.435 ( -0.691 0.000 0.899) 1.133 11.451 ( 0.272 0.000 0.141) 0.306 14.422 ( 0.575 0.000 -0.555) 0.799 14.425 ( -0.427 0.000 -2.217) 2.257 14.700 ( -0.780 0.000 1.500) 1.691 14.740 ( -0.108 0.000 -2.231) 2.233 14.869 ( -0.376 0.000 1.195) 1.253 14.893 ( 0.092 0.000 -1.039) 1.043 14.922 ( -2.155 0.000 1.175) 2.454 15.008 ( 3.444 0.000 -2.330) 4.158 15.485 ( -1.677 0.000 -0.469) 1.741 15.495 ( 0.559 0.000 1.165) 1.292 16.861 ( -1.275 0.000 0.093) 1.278 16.874 ( 0.776 0.000 0.775) 1.097 20.381 ( 1.221 0.000 2.739) 2.999 20.388 ( 0.674 0.000 1.566) 1.705 21.837 ( -0.137 0.000 0.024) 0.139 21.840 ( 0.154 0.000 0.008) 0.155 23.176 ( -0.344 0.000 0.769) 0.843 23.187 ( 0.401 0.000 0.302) 0.502 28.224 ( -1.736 0.000 -0.291) 1.760 28.250 ( 2.147 0.000 1.140) 2.431 28.956 ( -0.912 0.000 1.247) 1.545 28.999 ( 1.269 0.000 -1.056) 1.651 32.768 ( -2.070 0.000 0.092) 2.072 32.829 ( 3.449 0.000 -0.859) 3.555 33.175 ( -4.402 0.000 -1.365) 4.609 33.234 ( 5.343 0.000 3.853) 6.587 33.846 ( -3.954 0.000 4.582) 6.052 34.027 ( 2.765 0.000 -8.571) 9.006 34.037 ( -8.320 0.000 9.185) 12.393 34.340 ( 6.206 0.000 -10.402) 12.112 ======================= Grid point 141 (76/96) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -0.503 0.000 3.674) 3.709 1.386 ( -1.923 0.000 -3.385) 3.893 1.770 ( -10.808 0.000 12.272) 16.353 1.935 ( -12.409 0.000 10.728) 16.404 2.170 ( 9.278 0.000 8.203) 12.384 2.244 ( 0.051 0.000 -8.143) 8.143 2.293 ( -7.427 0.000 -10.723) 13.044 2.400 ( -5.931 0.000 -3.959) 7.131 2.613 ( -1.131 0.000 1.477) 1.860 2.674 ( -3.787 0.000 0.987) 3.913 2.807 ( 8.699 0.000 3.850) 9.513 2.904 ( 1.662 0.000 -6.616) 6.822 2.996 ( -5.887 0.000 -6.968) 9.122 3.056 ( 8.461 0.000 3.187) 9.041 3.132 ( 1.126 0.000 5.313) 5.431 3.338 ( 0.065 0.000 5.986) 5.986 3.364 ( -2.920 0.000 -2.707) 3.981 3.416 ( 2.246 0.000 4.950) 5.435 3.439 ( -8.214 0.000 -0.473) 8.228 3.534 ( -2.673 0.000 0.310) 2.690 3.558 ( -2.315 0.000 0.615) 2.395 3.612 ( 0.855 0.000 4.389) 4.471 3.723 ( 0.108 0.000 -4.786) 4.788 3.736 ( 2.643 0.000 -1.277) 2.936 3.827 ( 1.148 0.000 3.168) 3.370 3.847 ( -12.351 0.000 13.208) 18.083 3.976 ( 2.516 0.000 2.183) 3.331 4.030 ( -4.487 0.000 3.807) 5.884 4.122 ( 8.195 0.000 -2.735) 8.639 4.207 ( -4.100 0.000 7.809) 8.820 4.220 ( 2.066 0.000 -1.377) 2.483 4.397 ( -1.603 0.000 -7.665) 7.831 4.539 ( -0.411 0.000 0.620) 0.744 4.720 ( -4.639 0.000 8.614) 9.784 4.832 ( -1.948 0.000 -7.035) 7.299 4.892 ( 0.563 0.000 1.998) 2.076 4.940 ( 2.338 0.000 -3.917) 4.561 4.966 ( 0.257 0.000 2.052) 2.068 5.014 ( 0.896 0.000 0.650) 1.107 5.126 ( 2.003 0.000 -1.245) 2.358 5.305 ( -2.089 0.000 -4.604) 5.056 5.681 ( 5.708 0.000 -15.829) 16.827 5.693 ( -0.541 0.000 -0.112) 0.553 5.750 ( 2.938 0.000 -5.199) 5.972 6.414 ( 0.348 0.000 -0.551) 0.652 6.475 ( 1.107 0.000 2.520) 2.752 8.539 ( -1.154 0.000 -2.883) 3.105 8.646 ( 3.689 0.000 5.627) 6.728 10.363 ( 1.820 0.000 1.372) 2.279 10.377 ( 1.863 0.000 0.882) 2.061 11.118 ( -0.666 0.000 -0.734) 0.991 11.162 ( 0.787 0.000 -0.313) 0.847 11.416 ( -1.391 0.000 0.370) 1.439 11.447 ( -0.458 0.000 -0.763) 0.890 14.414 ( -0.080 0.000 -1.483) 1.485 14.432 ( 0.630 0.000 -0.529) 0.822 14.717 ( 1.766 0.000 4.721) 5.040 14.743 ( 0.608 0.000 -0.016) 0.608 14.860 ( -1.044 0.000 0.694) 1.254 14.892 ( 0.150 0.000 -0.415) 0.442 14.914 ( 1.263 0.000 2.000) 2.365 15.056 ( 2.221 0.000 -2.908) 3.659 15.437 ( -2.899 0.000 -1.716) 3.369 15.482 ( -2.114 0.000 0.213) 2.125 16.821 ( -2.651 0.000 -1.099) 2.870 16.881 ( -0.086 0.000 0.141) 0.165 20.466 ( 6.039 0.000 6.449) 8.835 20.474 ( 7.498 0.000 5.673) 9.402 21.836 ( 0.021 0.000 0.107) 0.109 21.844 ( 0.169 0.000 0.101) 0.197 23.172 ( -0.366 0.000 0.474) 0.599 23.196 ( 0.362 0.000 0.279) 0.457 28.210 ( 0.344 0.000 0.608) 0.699 28.304 ( 2.897 0.000 2.234) 3.658 28.948 ( -0.447 0.000 1.002) 1.097 29.020 ( 1.102 0.000 -0.618) 1.264 32.746 ( -0.375 0.000 0.336) 0.503 32.891 ( 2.616 0.000 -0.047) 2.616 33.120 ( -0.430 0.000 -2.800) 2.833 33.343 ( 4.207 0.000 5.578) 6.986 33.755 ( -6.306 0.000 0.318) 6.314 33.898 ( -8.785 0.000 9.051) 12.614 34.011 ( -1.262 0.000 -9.700) 9.782 34.387 ( 2.072 0.000 -11.833) 12.013 ======================= Grid point 142 (77/96) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 7.944 0.000 6.704) 10.395 1.330 ( -2.673 0.000 1.916) 3.289 1.657 ( -6.034 0.000 13.661) 14.935 1.726 ( -13.391 0.000 17.067) 21.694 2.155 ( -1.223 0.000 -17.606) 17.648 2.172 ( -7.241 0.000 -8.075) 10.847 2.297 ( -0.012 0.000 -3.034) 3.034 2.396 ( 8.588 0.000 -0.701) 8.616 2.596 ( -0.140 0.000 9.412) 9.413 2.611 ( -4.002 0.000 3.793) 5.513 2.864 ( -3.991 0.000 -7.786) 8.749 2.879 ( -1.572 0.000 -6.615) 6.799 2.938 ( 2.034 0.000 3.815) 4.324 3.154 ( -1.477 0.000 2.370) 2.792 3.216 ( -10.545 0.000 13.472) 17.108 3.227 ( -4.188 0.000 3.289) 5.325 3.242 ( 1.929 0.000 2.376) 3.060 3.337 ( -11.267 0.000 7.375) 13.466 3.438 ( 1.154 0.000 2.879) 3.102 3.457 ( 0.121 0.000 1.007) 1.014 3.565 ( 5.010 0.000 -2.555) 5.624 3.603 ( -3.896 0.000 -1.964) 4.364 3.759 ( 2.029 0.000 2.141) 2.949 3.792 ( 5.185 0.000 3.055) 6.018 3.806 ( 4.846 0.000 -0.781) 4.908 3.868 ( 2.474 0.000 0.180) 2.480 3.991 ( -0.780 0.000 3.433) 3.521 4.000 ( -4.279 0.000 -0.933) 4.380 4.158 ( -3.449 0.000 -0.486) 3.483 4.173 ( -1.199 0.000 8.135) 8.222 4.303 ( 9.498 0.000 -3.825) 10.240 4.415 ( 5.223 0.000 -7.323) 8.995 4.511 ( -2.663 0.000 3.830) 4.665 4.661 ( -4.463 0.000 7.980) 9.143 4.776 ( -2.874 0.000 -4.119) 5.022 4.915 ( 0.883 0.000 -0.194) 0.904 4.953 ( 0.864 0.000 -4.865) 4.941 4.964 ( -1.123 0.000 3.601) 3.772 5.011 ( -2.199 0.000 1.266) 2.537 5.132 ( -1.523 0.000 0.502) 1.604 5.247 ( -1.581 0.000 -4.482) 4.752 5.669 ( -1.985 0.000 -2.452) 3.155 5.675 ( 0.331 0.000 -9.532) 9.538 5.766 ( 0.062 0.000 -18.816) 18.816 6.467 ( 5.442 0.000 -0.603) 5.475 6.501 ( 1.256 0.000 2.057) 2.410 8.526 ( 0.316 0.000 -1.090) 1.134 8.708 ( 0.577 0.000 3.662) 3.707 10.416 ( 2.965 0.000 2.360) 3.790 10.425 ( 2.710 0.000 1.846) 3.279 11.106 ( -0.299 0.000 -0.938) 0.984 11.168 ( -0.000 0.000 -1.297) 1.297 11.394 ( -0.968 0.000 0.706) 1.198 11.433 ( -0.564 0.000 -1.358) 1.471 14.415 ( 0.535 0.000 -0.693) 0.876 14.441 ( 0.472 0.000 -0.819) 0.945 14.758 ( 0.764 0.000 1.089) 1.330 14.792 ( 3.961 0.000 4.769) 6.199 14.846 ( -0.421 0.000 0.332) 0.536 14.903 ( 1.200 0.000 1.447) 1.880 14.974 ( 3.833 0.000 3.096) 4.927 15.070 ( 0.468 0.000 -3.412) 3.444 15.370 ( -3.452 0.000 -2.505) 4.265 15.420 ( -4.286 0.000 -0.260) 4.294 16.771 ( -1.736 0.000 -0.738) 1.887 16.875 ( -0.610 0.000 0.406) 0.733 20.634 ( 8.639 0.000 9.971) 13.193 20.701 ( 14.151 0.000 6.437) 15.546 21.838 ( 0.118 0.000 0.113) 0.164 21.846 ( 0.056 0.000 0.152) 0.162 23.165 ( -0.523 0.000 0.240) 0.575 23.201 ( -0.023 0.000 0.334) 0.335 28.250 ( 3.919 0.000 1.477) 4.189 28.369 ( 2.908 0.000 3.463) 4.521 28.944 ( -0.250 0.000 0.621) 0.670 29.030 ( -0.043 0.000 -0.044) 0.062 32.753 ( 0.859 0.000 0.563) 1.027 32.908 ( -0.800 0.000 0.575) 0.985 33.149 ( 4.415 0.000 -4.830) 6.544 33.393 ( -1.997 0.000 6.867) 7.152 33.628 ( -6.501 0.000 -0.717) 6.541 33.802 ( -2.817 0.000 6.043) 6.668 33.920 ( -5.444 0.000 -9.933) 11.327 34.335 ( -3.537 0.000 -12.752) 13.233 ======================= Grid point 143 (78/96) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -0.249 0.000 5.945) 5.950 1.353 ( 9.928 0.000 5.320) 11.263 1.567 ( -8.878 0.000 20.603) 22.435 1.614 ( -2.756 0.000 13.108) 13.395 1.980 ( -8.371 0.000 -8.706) 12.077 2.124 ( 1.452 0.000 -18.404) 18.461 2.343 ( 2.620 0.000 1.295) 2.923 2.382 ( -2.531 0.000 -3.309) 4.166 2.562 ( -2.920 0.000 5.166) 5.934 2.738 ( 6.411 0.000 4.338) 7.741 2.791 ( -2.407 0.000 -6.711) 7.130 2.825 ( -2.881 0.000 -5.594) 6.292 2.909 ( -16.765 0.000 30.709) 34.987 2.960 ( 1.279 0.000 1.017) 1.634 3.110 ( -0.757 0.000 0.041) 0.758 3.145 ( 0.640 0.000 -0.422) 0.767 3.287 ( -1.892 0.000 -0.637) 1.996 3.392 ( 5.195 0.000 2.997) 5.997 3.472 ( 1.826 0.000 2.965) 3.483 3.473 ( 1.250 0.000 2.696) 2.972 3.554 ( -1.556 0.000 -1.725) 2.323 3.628 ( -0.055 0.000 -10.552) 10.552 3.807 ( 1.463 0.000 4.389) 4.626 3.815 ( -7.247 0.000 -3.170) 7.910 3.853 ( 1.263 0.000 -0.822) 1.507 3.890 ( 3.200 0.000 -2.705) 4.190 3.942 ( 5.803 0.000 1.544) 6.005 4.027 ( 1.837 0.000 3.425) 3.887 4.160 ( -0.418 0.000 5.607) 5.622 4.184 ( 0.914 0.000 4.408) 4.502 4.417 ( -0.447 0.000 7.113) 7.127 4.494 ( 5.068 0.000 -6.208) 8.014 4.533 ( 6.871 0.000 -2.321) 7.253 4.604 ( -3.287 0.000 6.929) 7.669 4.693 ( -4.450 0.000 -2.131) 4.934 4.905 ( -8.204 0.000 1.153) 8.285 4.906 ( -1.192 0.000 0.405) 1.259 4.967 ( -0.009 0.000 4.624) 4.624 4.979 ( 3.052 0.000 -6.685) 7.348 5.070 ( -3.564 0.000 -2.285) 4.233 5.251 ( 1.483 0.000 0.617) 1.606 5.601 ( -3.934 0.000 -2.893) 4.883 5.628 ( -7.364 0.000 -15.487) 17.149 5.661 ( 0.768 0.000 -12.539) 12.563 6.540 ( 1.940 0.000 2.675) 3.304 6.576 ( 5.080 0.000 -1.702) 5.358 8.543 ( 1.847 0.000 -0.457) 1.903 8.676 ( -4.418 0.000 1.258) 4.594 10.478 ( 2.564 0.000 2.578) 3.636 10.484 ( 2.622 0.000 1.904) 3.240 11.101 ( 0.092 0.000 -0.844) 0.849 11.153 ( -1.074 0.000 -1.957) 2.233 11.388 ( -0.045 0.000 1.180) 1.180 11.421 ( -0.259 0.000 -1.373) 1.397 14.427 ( 0.847 0.000 -0.294) 0.896 14.446 ( 0.413 0.000 -0.954) 1.039 14.783 ( 1.499 0.000 1.936) 2.448 14.847 ( 0.371 0.000 0.631) 0.732 14.851 ( 1.378 0.000 -0.194) 1.391 14.940 ( 0.380 0.000 1.085) 1.150 15.059 ( 3.806 0.000 2.533) 4.572 15.078 ( 2.321 0.000 -1.518) 2.774 15.302 ( -2.661 0.000 -1.777) 3.200 15.333 ( -4.548 0.000 0.020) 4.548 16.774 ( 2.304 0.000 0.298) 2.323 16.858 ( -1.631 0.000 1.087) 1.960 20.826 ( 7.256 0.000 12.463) 14.422 20.999 ( 14.555 0.000 -0.556) 14.566 21.841 ( 0.088 0.000 0.048) 0.101 21.846 ( -0.123 0.000 0.107) 0.163 23.159 ( 0.001 0.000 0.440) 0.440 23.195 ( -0.732 0.000 0.274) 0.781 28.368 ( 7.861 0.000 0.315) 7.867 28.424 ( 1.254 0.000 4.421) 4.595 28.944 ( 0.217 0.000 0.426) 0.478 29.013 ( -1.792 0.000 0.095) 1.794 32.780 ( 1.759 0.000 0.730) 1.904 32.879 ( -2.026 0.000 0.010) 2.026 33.228 ( 5.027 0.000 -5.883) 7.739 33.317 ( -6.430 0.000 3.836) 7.487 33.531 ( -3.583 0.000 2.641) 4.451 33.742 ( -10.154 0.000 -6.900) 12.277 33.832 ( 3.314 0.000 4.072) 5.250 34.197 ( -6.394 0.000 -10.544) 12.331 ======================= Grid point 144 (79/96) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -1.621 9.237 8.074) 12.375 1.518 ( 0.681 4.425 3.729) 5.827 1.614 ( 2.828 6.934 10.385) 12.803 1.714 ( -1.768 5.022 18.543) 19.292 1.851 ( -0.510 0.052 -7.143) 7.161 2.050 ( -4.573 0.886 -13.073) 13.878 2.311 ( -6.843 -0.388 8.611) 11.006 2.338 ( -0.309 -5.312 3.953) 6.629 2.576 ( 5.518 -7.490 -2.817) 9.720 2.592 ( 3.445 -4.205 -2.003) 5.793 2.642 ( -3.040 -8.491 -3.498) 9.673 2.717 ( 0.110 -3.554 -8.849) 9.537 2.960 ( 3.298 8.102 19.078) 20.987 3.108 ( 2.344 0.565 3.156) 3.971 3.153 ( 1.602 1.167 -3.169) 3.738 3.214 ( -2.131 2.191 -1.891) 3.594 3.313 ( 3.378 4.735 2.735) 6.427 3.422 ( -0.262 -0.359 -2.583) 2.621 3.455 ( -0.848 0.343 -0.357) 0.982 3.495 ( 1.080 -1.255 0.731) 1.810 3.556 ( 1.086 2.421 -2.813) 3.867 3.609 ( -2.467 5.676 -8.024) 10.134 3.749 ( -2.942 -2.976 4.120) 5.872 3.756 ( 1.575 -3.370 3.147) 4.873 3.869 ( 1.519 -1.697 1.771) 2.886 3.923 ( -0.791 0.034 -3.630) 3.715 4.016 ( 2.270 -2.897 0.857) 3.779 4.056 ( 2.141 -0.709 -2.047) 3.046 4.178 ( -0.364 1.693 6.944) 7.157 4.268 ( 2.698 2.337 -1.056) 3.722 4.354 ( -5.122 -3.017 8.365) 10.262 4.505 ( 1.649 -3.815 -3.203) 5.247 4.581 ( -0.070 3.169 8.394) 8.972 4.668 ( -0.069 3.304 2.444) 4.111 4.758 ( 3.723 4.457 -3.101) 6.584 4.793 ( -3.245 4.159 -5.865) 7.889 4.904 ( 0.774 0.067 1.199) 1.429 4.968 ( -0.767 -1.434 -0.136) 1.632 5.018 ( 1.574 0.931 -1.832) 2.588 5.059 ( 1.262 2.250 -0.910) 2.735 5.233 ( -0.142 -3.272 1.197) 3.487 5.356 ( -7.021 -5.800 -8.911) 12.741 5.539 ( -2.672 0.470 -1.744) 3.225 5.624 ( -1.191 -1.864 -8.553) 8.834 6.565 ( -0.750 -0.369 2.936) 3.053 6.602 ( 0.541 -1.101 -0.828) 1.480 8.606 ( -0.586 1.619 0.948) 1.966 8.623 ( 1.567 1.860 -0.684) 2.526 10.511 ( 0.448 -0.311 1.481) 1.578 10.521 ( 0.864 -0.370 0.635) 1.135 11.110 ( 0.364 0.316 -0.026) 0.483 11.123 ( -1.237 0.198 -1.475) 1.935 11.384 ( -0.149 -0.587 1.115) 1.269 11.404 ( -0.323 -0.900 -0.887) 1.304 14.436 ( 0.746 -0.374 -0.366) 0.911 14.446 ( 0.279 -0.370 -1.274) 1.355 14.809 ( 1.498 -1.035 1.911) 2.640 14.833 ( -0.635 -1.477 -0.125) 1.613 14.883 ( 0.400 0.914 0.032) 0.998 14.902 ( -1.798 -0.032 -1.721) 2.489 15.118 ( 1.842 0.743 0.869) 2.168 15.137 ( 1.000 0.867 -1.255) 1.825 15.273 ( -1.797 0.566 0.992) 2.129 15.281 ( 0.112 0.455 0.146) 0.490 16.806 ( -1.002 -0.833 1.490) 1.979 16.832 ( 1.409 -0.794 -0.876) 1.839 20.932 ( 0.935 -1.309 10.394) 10.518 21.090 ( 2.269 -6.074 -5.524) 8.517 21.844 ( 0.123 0.067 0.027) 0.143 21.844 ( 0.004 0.078 -0.014) 0.079 23.171 ( 0.525 -0.037 0.627) 0.819 23.178 ( -0.509 -0.007 -0.072) 0.514 28.409 ( -1.929 -1.470 3.177) 3.997 28.461 ( 3.883 -3.321 -1.905) 5.453 28.963 ( 1.436 -0.164 0.462) 1.517 28.971 ( -1.309 -0.245 -0.383) 1.386 32.894 ( -2.666 5.469 0.902) 6.151 32.923 ( 4.214 8.125 -2.190) 9.411 33.207 ( -4.781 -0.412 3.616) 6.008 33.277 ( 3.044 -0.799 -3.406) 4.637 33.560 ( 1.661 3.599 2.253) 4.560 33.599 ( -4.449 2.747 -1.586) 5.464 33.879 ( 4.493 -4.048 4.871) 7.765 34.004 ( -5.984 -5.065 -7.855) 11.097 ======================= Grid point 145 (80/96) ======================= q-point: ( 0.11 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -4.262 8.975 5.592) 11.401 1.482 ( -4.060 6.318 0.886) 7.562 1.682 ( 1.589 2.217 8.810) 9.223 1.799 ( 5.780 6.102 20.611) 22.259 1.912 ( 5.111 0.956 -12.383) 13.430 2.002 ( 5.564 0.943 -4.727) 7.362 2.247 ( -3.686 -2.641 6.368) 7.817 2.329 ( -3.387 -0.763 4.335) 5.554 2.477 ( -2.358 -8.439 -0.634) 8.785 2.630 ( 1.560 -5.543 -3.690) 6.839 2.717 ( 5.821 -4.590 -6.369) 9.773 2.803 ( 6.034 -5.316 -3.089) 8.615 3.058 ( 0.076 7.620 4.196) 8.699 3.111 ( -0.628 1.175 -0.881) 1.597 3.143 ( -1.272 -1.282 3.859) 4.260 3.235 ( 2.508 -0.210 1.782) 3.084 3.351 ( 1.838 0.553 0.234) 1.933 3.436 ( 0.882 3.904 -1.611) 4.314 3.479 ( 1.586 1.802 2.780) 3.673 3.494 ( 2.571 -1.253 -1.949) 3.461 3.546 ( -1.326 1.540 -6.361) 6.677 3.605 ( 1.469 2.575 -2.486) 3.869 3.720 ( 0.216 -1.049 2.707) 2.911 3.790 ( -0.667 -1.354 3.506) 3.817 3.871 ( 1.046 -2.170 0.084) 2.410 3.897 ( -0.189 -0.875 -4.175) 4.269 4.008 ( -1.655 -0.811 -3.799) 4.222 4.069 ( -0.799 0.694 -1.684) 1.989 4.244 ( 3.625 -0.229 1.411) 3.897 4.276 ( -3.046 -1.981 2.431) 4.372 4.294 ( -0.860 1.260 -0.314) 1.558 4.418 ( -8.423 1.925 5.819) 10.417 4.612 ( 1.251 1.075 6.436) 6.644 4.678 ( -0.680 5.386 -6.884) 8.767 4.752 ( 4.108 0.710 -4.992) 6.504 4.831 ( -0.034 0.348 6.237) 6.247 4.921 ( -0.847 -0.677 -0.915) 1.418 4.981 ( 4.700 0.291 -3.446) 5.835 5.026 ( 0.336 0.258 -0.208) 0.472 5.099 ( 1.755 2.353 -4.744) 5.579 5.218 ( -5.476 -4.670 -1.385) 7.329 5.260 ( 2.103 -3.483 8.754) 9.653 5.532 ( 1.120 0.366 3.892) 4.067 5.614 ( 2.325 -2.213 -3.816) 4.987 6.525 ( -3.626 -0.058 1.802) 4.049 6.584 ( -2.389 0.363 -0.195) 2.424 8.569 ( -1.359 2.397 -0.882) 2.893 8.697 ( 3.999 0.017 -0.992) 4.120 10.499 ( -1.835 -0.340 -0.048) 1.867 10.513 ( -1.622 -0.479 -0.979) 1.954 11.099 ( -0.730 0.548 -0.085) 0.917 11.125 ( 0.831 -0.048 0.678) 1.073 11.385 ( -0.096 -0.492 1.424) 1.510 11.397 ( -0.162 -0.708 -0.249) 0.768 14.441 ( -0.215 -0.242 -1.762) 1.791 14.445 ( 0.445 -0.320 -1.381) 1.486 14.804 ( -1.172 -1.010 -0.585) 1.654 14.849 ( 0.973 -0.556 -0.181) 1.135 14.867 ( -1.336 0.929 -0.103) 1.631 14.903 ( 1.577 -0.746 1.965) 2.628 15.101 ( -3.124 0.903 -2.814) 4.301 15.120 ( -1.948 0.794 -2.318) 3.131 15.273 ( 1.240 0.995 2.127) 2.656 15.319 ( 3.262 -0.125 1.247) 3.494 16.772 ( -1.696 0.452 0.696) 1.889 16.864 ( 1.101 -1.824 -0.535) 2.196 20.900 ( -6.847 -1.312 5.942) 9.160 21.004 ( -8.113 -4.315 -7.549) 11.892 21.843 ( -0.037 0.159 -0.056) 0.173 21.849 ( 0.253 0.004 -0.185) 0.313 23.164 ( -0.336 0.209 0.161) 0.427 23.190 ( 0.626 -0.421 0.349) 0.831 28.351 ( -4.392 -0.270 1.014) 4.516 28.471 ( -1.666 -3.578 -2.981) 4.946 28.955 ( -0.139 0.237 -0.397) 0.483 28.999 ( 1.536 -1.150 0.334) 1.948 32.840 ( -2.735 4.222 0.056) 5.031 32.977 ( 1.559 7.261 -2.700) 7.902 33.135 ( -4.092 2.212 3.520) 5.833 33.360 ( 7.654 -0.402 -1.343) 7.781 33.549 ( 0.856 -0.708 1.073) 1.545 33.679 ( 5.612 4.401 3.853) 8.106 33.896 ( -1.936 -5.343 -7.358) 9.297 33.984 ( 4.582 -3.415 7.061) 9.084 ======================= Grid point 146 (81/96) ======================= q-point: ( 0.22 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -8.287 5.682 -2.878) 10.452 1.440 ( -2.462 8.738 4.662) 10.206 1.814 ( 9.598 0.117 7.034) 11.900 1.945 ( 5.579 1.139 -1.396) 5.863 1.982 ( 5.007 6.990 1.131) 8.672 2.115 ( -5.117 -7.891 0.282) 9.409 2.173 ( 8.225 3.784 0.061) 9.054 2.360 ( 4.277 0.380 4.618) 6.306 2.521 ( 4.567 -6.246 1.626) 7.906 2.643 ( 1.119 -2.964 1.613) 3.556 2.815 ( 1.861 -2.176 -5.822) 6.488 2.828 ( 1.954 -2.188 -5.193) 5.964 2.989 ( -4.004 0.823 -1.915) 4.514 3.111 ( -4.848 -5.863 4.163) 8.672 3.159 ( 1.897 0.465 1.872) 2.705 3.292 ( 5.160 1.475 0.660) 5.407 3.371 ( -6.224 0.344 -4.147) 7.487 3.406 ( 2.227 -1.776 2.102) 3.540 3.472 ( -1.409 -0.015 3.126) 3.429 3.505 ( 0.554 2.195 -0.118) 2.267 3.567 ( -0.842 -2.424 -0.953) 2.737 3.596 ( 0.518 2.540 -3.458) 4.322 3.748 ( 0.750 -2.970 0.400) 3.089 3.789 ( -0.423 1.067 1.429) 1.833 3.900 ( -1.604 -0.970 -4.077) 4.488 3.944 ( 4.207 -0.860 -1.610) 4.586 3.966 ( 3.581 1.445 0.867) 3.957 4.072 ( 3.055 2.773 -2.711) 4.937 4.195 ( -4.056 1.079 -0.986) 4.312 4.248 ( -0.332 0.557 -1.369) 1.515 4.299 ( -4.731 5.219 4.238) 8.220 4.338 ( 1.904 1.943 -1.209) 2.977 4.627 ( -2.054 4.267 -2.766) 5.484 4.666 ( 1.600 1.242 6.289) 6.607 4.813 ( 2.894 -1.992 -6.495) 7.385 4.857 ( 1.191 -0.813 5.006) 5.209 4.903 ( 0.132 -0.589 0.083) 0.609 4.999 ( -2.488 -3.286 -1.452) 4.370 5.043 ( 1.774 -1.088 -3.216) 3.831 5.116 ( -3.064 -2.293 1.250) 4.026 5.155 ( 2.846 1.026 1.248) 3.272 5.339 ( 1.966 -2.142 9.950) 10.366 5.590 ( 2.783 1.112 6.065) 6.765 5.665 ( 3.147 -0.841 -1.260) 3.492 6.455 ( -4.038 1.169 1.231) 4.380 6.531 ( -2.457 0.292 -0.416) 2.509 8.547 ( -0.783 1.977 -1.580) 2.649 8.742 ( 1.052 -2.211 -2.522) 3.515 10.450 ( -2.937 -0.415 -1.317) 3.245 10.462 ( -2.958 -0.290 -1.792) 3.471 11.095 ( 0.106 0.695 0.788) 1.056 11.141 ( 0.535 -0.408 0.854) 1.087 11.393 ( 0.531 -0.285 1.389) 1.514 11.400 ( 0.406 -0.190 0.979) 1.077 14.428 ( -0.339 -0.026 -2.068) 2.095 14.447 ( 0.346 -0.411 -2.071) 2.139 14.784 ( -0.779 0.432 -0.643) 1.099 14.849 ( -0.583 1.133 -0.017) 1.274 14.858 ( 0.500 0.119 -0.964) 1.092 14.942 ( 1.137 -1.683 1.343) 2.434 15.011 ( -4.683 0.245 -3.934) 6.121 15.055 ( -3.586 0.422 -3.196) 4.822 15.325 ( 3.118 1.112 2.914) 4.411 15.396 ( 3.941 -0.462 1.795) 4.355 16.764 ( 0.646 1.059 1.137) 1.683 16.870 ( -0.187 -1.408 0.237) 1.440 20.737 ( -10.599 -0.716 0.673) 10.645 20.790 ( -11.191 -2.006 -6.233) 12.966 21.842 ( -0.078 0.174 -0.086) 0.209 21.850 ( -0.055 -0.031 -0.272) 0.279 23.164 ( 0.187 0.221 0.458) 0.542 23.195 ( -0.227 -0.467 0.489) 0.713 28.274 ( -3.400 0.677 -0.438) 3.494 28.406 ( -3.808 -2.572 -2.263) 5.122 28.958 ( 0.440 0.229 -0.457) 0.674 29.011 ( -0.406 -1.225 0.562) 1.408 32.798 ( -1.632 2.802 -0.362) 3.263 32.963 ( -2.331 1.584 -1.171) 3.052 33.088 ( -1.496 5.112 2.948) 6.088 33.483 ( 0.145 -3.794 -4.397) 5.809 33.600 ( 8.237 1.554 1.253) 8.475 33.773 ( 3.119 1.753 6.287) 7.234 33.933 ( 7.629 -1.909 -7.559) 10.908 34.087 ( 3.289 -2.638 8.994) 9.933 ======================= Grid point 147 (82/96) ======================= q-point: ( 0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -3.943 0.121 -5.197) 6.525 1.381 ( -5.609 5.431 3.606) 8.600 1.980 ( -0.906 -8.147 -1.368) 8.311 1.987 ( 3.942 -4.489 0.030) 5.974 2.092 ( 8.197 5.305 -7.751) 12.466 2.147 ( 10.853 5.328 8.492) 14.774 2.359 ( 8.998 4.419 -0.545) 10.040 2.472 ( 6.079 3.994 3.072) 7.896 2.590 ( 0.940 1.386 0.129) 1.680 2.662 ( -2.041 -4.150 -3.006) 5.516 2.737 ( -3.414 -4.311 2.087) 5.882 2.869 ( -6.810 -0.072 -0.050) 6.810 2.902 ( 2.570 0.141 -0.643) 2.653 3.035 ( -1.726 -8.283 -0.064) 8.461 3.137 ( -4.886 -2.845 -1.832) 5.943 3.290 ( 0.464 1.585 1.787) 2.433 3.375 ( -0.989 -1.228 2.211) 2.716 3.411 ( 0.017 -1.746 -0.322) 1.776 3.456 ( -1.754 -4.059 -0.343) 4.435 3.529 ( -0.954 -4.702 1.528) 5.035 3.566 ( 3.344 4.446 2.442) 6.075 3.634 ( 5.653 -0.481 -3.485) 6.658 3.730 ( -0.166 0.744 -2.939) 3.037 3.754 ( -3.885 3.345 0.130) 5.128 3.857 ( 0.084 -0.947 1.040) 1.410 3.980 ( -1.058 -1.510 1.359) 2.291 4.039 ( 2.015 1.750 -2.539) 3.683 4.110 ( -2.509 -1.471 -3.186) 4.314 4.147 ( 0.880 6.809 -0.336) 6.874 4.227 ( -4.297 3.789 2.428) 6.222 4.309 ( 6.307 3.094 3.456) 7.829 4.394 ( 4.007 4.482 -1.396) 6.172 4.605 ( 2.791 2.531 -5.655) 6.795 4.706 ( 0.193 3.264 8.764) 9.354 4.827 ( -0.138 -2.736 -3.297) 4.286 4.872 ( -0.380 -1.801 2.669) 3.242 4.921 ( 0.033 -3.163 1.378) 3.450 4.955 ( 0.420 -2.511 -5.529) 6.087 5.049 ( -1.532 -1.604 0.813) 2.363 5.063 ( -1.346 0.298 -1.436) 1.991 5.226 ( 3.443 0.294 2.461) 4.242 5.376 ( -1.071 -1.966 7.974) 8.283 5.653 ( 1.809 0.975 5.562) 5.930 5.709 ( 1.891 -0.426 -1.194) 2.277 6.399 ( -1.897 1.388 1.711) 2.908 6.495 ( -1.451 -0.662 -0.261) 1.616 8.530 ( -0.521 1.665 -0.834) 1.933 8.720 ( -2.031 -2.797 -4.449) 5.634 10.392 ( -2.521 -0.441 -1.681) 3.062 10.402 ( -2.664 -0.225 -1.718) 3.178 11.105 ( 0.642 0.522 1.008) 1.304 11.148 ( -0.059 -0.497 0.525) 0.725 11.413 ( 1.078 -0.016 1.164) 1.587 11.417 ( 0.836 0.012 1.924) 2.098 14.419 ( 0.083 0.253 -1.776) 1.796 14.446 ( 0.231 -0.332 -2.467) 2.500 14.766 ( -1.079 1.107 -0.845) 1.762 14.828 ( -1.705 1.190 -3.378) 3.966 14.869 ( 0.691 -0.583 -0.940) 1.304 14.919 ( -1.665 1.369 -2.670) 3.431 14.948 ( -1.688 -1.906 -0.831) 2.678 14.995 ( -1.815 -0.330 0.054) 1.845 15.398 ( 3.480 0.906 2.875) 4.603 15.465 ( 2.613 -0.448 1.623) 3.108 16.798 ( 2.203 0.755 1.872) 2.988 16.867 ( -0.176 -0.763 1.062) 1.320 20.543 ( -9.010 -0.056 -1.603) 9.152 20.576 ( -9.248 -0.695 -4.439) 10.282 21.840 ( -0.078 0.120 -0.109) 0.180 21.847 ( -0.249 -0.034 -0.210) 0.328 23.171 ( 0.283 0.057 0.599) 0.665 23.189 ( -0.569 -0.294 0.708) 0.955 28.229 ( -1.187 0.885 -0.490) 1.559 28.329 ( -3.562 -1.468 -1.420) 4.106 28.966 ( 0.566 -0.063 -0.692) 0.896 28.995 ( -1.357 -0.768 0.841) 1.772 32.778 ( -0.278 1.630 -0.655) 1.778 32.896 ( -4.113 -0.481 -0.140) 4.143 33.098 ( 1.462 4.345 2.130) 5.055 33.392 ( -6.108 -2.711 -1.767) 6.912 33.796 ( 10.336 0.482 -2.832) 10.727 33.846 ( 2.246 0.777 6.384) 6.812 34.076 ( 9.301 -0.720 -8.020) 12.303 34.148 ( 0.083 -1.515 9.057) 9.183 ======================= Grid point 148 (83/96) ======================= q-point: ( 0.44 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 2.341 -5.855 -0.468) 6.323 1.255 ( -6.609 -2.555 -1.325) 7.209 1.987 ( 2.478 -6.555 -2.145) 7.329 2.008 ( -2.900 -2.994 2.203) 4.714 2.213 ( 8.396 3.710 -7.236) 11.688 2.328 ( -2.492 2.919 -1.335) 4.064 2.488 ( -1.622 3.738 5.065) 6.500 2.517 ( 3.150 4.481 -3.121) 6.304 2.571 ( -0.048 2.809 5.054) 5.783 2.603 ( 3.701 0.477 1.354) 3.970 2.732 ( 1.934 -4.647 -0.719) 5.085 2.817 ( -0.534 -0.767 1.374) 1.661 2.935 ( -2.783 -0.622 1.284) 3.127 2.987 ( -1.257 -1.982 -4.105) 4.729 3.094 ( 2.638 -2.222 1.171) 3.643 3.296 ( -2.848 -0.765 -1.545) 3.329 3.335 ( -3.206 -1.066 2.434) 4.164 3.384 ( -2.350 -5.054 2.887) 6.277 3.433 ( 3.154 -3.014 2.377) 4.968 3.548 ( 0.313 -2.371 -1.137) 2.648 3.607 ( 0.118 -0.872 0.405) 0.969 3.675 ( 0.236 -4.789 -2.675) 5.491 3.716 ( -0.216 5.986 3.878) 7.136 3.773 ( 2.644 3.103 -2.120) 4.595 3.881 ( 1.731 -1.055 0.691) 2.142 3.945 ( -2.802 1.273 -1.178) 3.296 3.995 ( -4.764 0.339 2.540) 5.409 4.067 ( -1.151 3.308 -5.399) 6.435 4.164 ( 1.630 4.192 0.611) 4.539 4.174 ( -1.063 3.559 1.618) 4.051 4.410 ( 1.601 3.592 4.069) 5.659 4.439 ( 1.857 3.630 1.248) 4.264 4.680 ( 3.137 -0.584 0.384) 3.214 4.715 ( -7.409 -0.253 5.383) 9.161 4.800 ( 5.262 3.794 0.291) 6.493 4.887 ( 0.380 -2.629 0.807) 2.776 4.938 ( 1.946 -1.751 -0.527) 2.670 4.956 ( -0.802 -4.701 -1.597) 5.029 5.007 ( 0.006 0.834 -3.425) 3.525 5.033 ( -2.065 4.014 -3.516) 5.721 5.323 ( 7.083 -3.055 -0.846) 7.760 5.355 ( -2.562 -2.774 3.778) 5.342 5.690 ( 0.708 0.609 3.513) 3.635 5.732 ( 1.131 -0.551 -1.717) 2.128 6.398 ( 0.800 0.505 2.882) 3.033 6.466 ( -1.677 -0.967 -0.193) 1.946 8.530 ( 0.623 1.178 1.200) 1.793 8.653 ( -3.082 -1.760 -5.203) 6.298 10.352 ( -1.211 -0.417 -0.946) 1.592 10.358 ( -1.370 -0.321 -1.336) 1.940 11.123 ( 0.879 0.184 0.853) 1.238 11.144 ( -0.443 -0.325 0.119) 0.562 11.435 ( 0.472 0.044 1.601) 1.670 11.437 ( 0.850 0.041 0.985) 1.302 14.420 ( 0.375 0.390 -1.206) 1.322 14.440 ( -0.149 -0.058 -2.424) 2.429 14.735 ( -1.696 1.009 -0.727) 2.103 14.774 ( -1.830 0.637 -4.518) 4.916 14.872 ( -0.190 -0.327 0.640) 0.744 14.900 ( -0.591 0.182 -1.579) 1.696 14.942 ( 0.969 -0.711 0.303) 1.239 14.968 ( -0.774 -0.081 -0.576) 0.968 15.464 ( 2.494 0.575 2.066) 3.289 15.498 ( 0.477 -0.094 0.783) 0.921 16.844 ( 1.843 0.148 1.691) 2.505 16.869 ( -0.154 -0.318 1.095) 1.151 20.411 ( -4.341 0.272 -0.462) 4.374 20.431 ( -4.912 -0.129 -1.995) 5.303 21.839 ( 0.019 0.044 -0.076) 0.090 21.841 ( -0.235 -0.008 -0.098) 0.255 23.178 ( 0.177 -0.113 0.606) 0.641 23.181 ( -0.352 -0.100 0.693) 0.784 28.224 ( 0.585 0.514 0.145) 0.792 28.267 ( -2.617 -0.483 -0.784) 2.774 28.971 ( -0.965 -0.356 0.863) 1.343 28.977 ( 0.524 -0.368 -0.775) 1.005 32.787 ( 1.463 0.661 -0.751) 1.772 32.824 ( -3.246 0.006 -0.009) 3.246 33.150 ( 3.223 1.930 2.353) 4.433 33.275 ( -5.527 -0.923 -1.160) 5.722 33.879 ( -0.830 0.619 6.701) 6.781 33.943 ( 5.517 -1.130 -3.820) 6.805 34.144 ( -2.726 0.667 6.465) 7.048 34.217 ( 8.110 -1.190 -8.950) 12.136 ======================= Grid point 149 (84/96) ======================= q-point: (-0.44 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -6.631 -5.523 4.014) 9.518 1.303 ( 9.983 -6.703 -4.858) 12.969 1.903 ( -6.833 -3.367 4.643) 8.921 2.037 ( 0.330 -2.302 0.723) 2.435 2.127 ( -12.004 2.960 1.406) 12.444 2.340 ( 4.613 1.034 -3.537) 5.904 2.394 ( -6.708 5.181 6.256) 10.534 2.563 ( 2.062 4.333 0.564) 4.831 2.615 ( -2.361 -2.319 -1.856) 3.795 2.693 ( 2.879 -3.334 -2.759) 5.198 2.758 ( -1.239 3.364 -4.842) 6.025 2.807 ( 3.014 -1.355 2.307) 4.030 2.907 ( 1.628 0.255 2.908) 3.343 2.990 ( 2.595 -2.427 -3.076) 4.700 3.129 ( -4.227 -1.978 0.672) 4.715 3.231 ( 2.632 0.957 -1.359) 3.113 3.353 ( 1.678 -4.187 5.458) 7.081 3.388 ( 1.394 -4.093 1.067) 4.454 3.476 ( -1.285 -2.985 -0.507) 3.289 3.529 ( 1.107 0.305 0.060) 1.150 3.609 ( -0.777 -1.717 3.022) 3.562 3.637 ( -3.806 -3.689 -0.948) 5.385 3.712 ( -2.119 2.076 1.175) 3.191 3.799 ( 1.434 3.777 -1.614) 4.351 3.858 ( -2.863 1.140 3.499) 4.663 3.946 ( 3.337 -2.214 0.791) 4.082 3.964 ( -2.164 2.758 1.078) 3.668 3.995 ( -2.454 2.815 -0.263) 3.744 4.158 ( -3.014 4.262 2.687) 5.871 4.216 ( 3.407 5.002 -1.752) 6.301 4.395 ( -7.308 4.993 7.531) 11.622 4.456 ( 0.116 1.706 -1.095) 2.030 4.583 ( -2.613 3.308 1.496) 4.473 4.719 ( -1.296 -3.321 7.142) 7.983 4.874 ( -0.661 -1.698 1.011) 2.084 4.905 ( 2.543 0.476 -3.309) 4.201 4.919 ( -0.362 -2.000 1.836) 2.739 4.946 ( -2.124 1.656 -4.498) 5.242 5.002 ( 2.039 0.728 -2.099) 3.016 5.050 ( 3.434 0.168 -3.635) 5.004 5.323 ( -0.584 -2.139 -2.081) 3.041 5.481 ( 10.044 -4.816 -7.330) 13.334 5.707 ( 0.446 0.780 1.508) 1.755 5.742 ( 0.549 -0.381 -2.083) 2.188 6.432 ( -0.720 -0.408 0.632) 1.042 6.433 ( 0.696 -0.388 2.035) 2.186 8.564 ( 2.151 0.007 3.534) 4.138 8.585 ( -2.373 -0.441 -4.168) 4.816 10.339 ( 0.121 -0.266 0.124) 0.318 10.348 ( 0.600 -0.433 -0.350) 0.819 11.133 ( -0.596 -0.020 -0.264) 0.652 11.142 ( 0.895 -0.190 0.423) 1.008 11.437 ( -0.584 0.194 0.851) 1.050 11.450 ( 0.199 -0.088 0.221) 0.310 14.424 ( 0.291 0.149 -0.650) 0.728 14.426 ( -0.443 0.101 -1.960) 2.012 14.712 ( -0.547 1.113 1.386) 1.860 14.746 ( -0.061 0.514 -1.932) 2.000 14.868 ( -0.468 -0.064 1.213) 1.302 14.886 ( -0.508 -0.634 -0.307) 0.869 14.930 ( -1.049 0.821 0.200) 1.347 14.998 ( 2.966 -0.952 -2.304) 3.875 15.488 ( -1.493 0.357 -0.444) 1.598 15.498 ( 0.456 0.223 0.924) 1.054 16.861 ( -1.064 0.017 0.139) 1.073 16.872 ( 0.661 -0.218 0.729) 1.008 20.384 ( 1.035 0.218 2.486) 2.702 20.389 ( 0.818 0.125 1.738) 1.925 21.838 ( -0.101 0.046 0.018) 0.112 21.840 ( 0.135 -0.010 0.002) 0.136 23.176 ( -0.265 0.006 0.715) 0.762 23.185 ( 0.330 -0.204 0.324) 0.505 28.227 ( -1.401 0.316 -0.162) 1.445 28.249 ( 1.749 -0.179 1.000) 2.022 28.957 ( -0.692 0.054 1.000) 1.217 28.991 ( 1.055 -0.752 -0.876) 1.564 32.779 ( -1.398 1.083 0.054) 1.769 32.829 ( 3.187 -0.073 -0.647) 3.253 33.184 ( -3.500 0.829 -0.972) 3.726 33.232 ( 4.273 -0.259 3.062) 5.263 33.849 ( -4.139 0.420 4.675) 6.258 33.963 ( -3.342 -3.323 2.390) 5.285 34.106 ( -1.534 3.894 -2.169) 4.714 34.318 ( 5.496 -2.190 -9.730) 11.387 ======================= Grid point 150 (85/96) ======================= q-point: (-0.33 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 3.108 -0.773 4.508) 5.529 1.439 ( 3.715 2.737 -1.571) 4.875 1.807 ( -7.060 1.829 10.626) 12.889 1.925 ( -9.125 -0.714 5.207) 10.530 2.031 ( -0.080 -5.925 3.870) 7.077 2.270 ( -7.627 1.410 -2.163) 8.052 2.367 ( 0.999 5.844 -3.227) 6.750 2.528 ( -4.447 2.686 -2.524) 5.776 2.555 ( -2.754 -0.863 -1.199) 3.125 2.708 ( -3.780 1.836 -4.366) 6.059 2.776 ( 3.753 -1.625 1.959) 4.534 2.825 ( 2.139 -4.564 3.368) 6.062 2.951 ( -2.067 -3.469 -4.697) 6.194 3.038 ( 1.602 -3.051 -1.390) 3.716 3.091 ( 5.880 -2.652 2.155) 6.801 3.280 ( -2.320 -3.681 3.846) 5.807 3.352 ( 0.031 -1.048 1.052) 1.485 3.427 ( 1.927 -2.635 3.990) 5.155 3.461 ( -2.695 0.417 -3.502) 4.438 3.532 ( -2.281 1.261 0.745) 2.711 3.565 ( -1.580 -1.031 1.251) 2.263 3.612 ( -0.135 2.329 1.664) 2.866 3.680 ( -0.699 -2.298 1.382) 2.771 3.789 ( -1.115 4.700 -2.726) 5.546 3.851 ( -1.722 1.352 4.150) 4.692 3.876 ( -3.718 2.047 9.290) 10.214 3.965 ( -3.229 -1.627 1.980) 4.123 4.062 ( 6.410 -4.079 -1.162) 7.686 4.083 ( -2.035 5.486 4.990) 7.690 4.245 ( -5.684 6.056 7.139) 10.952 4.308 ( 3.136 4.949 -0.994) 5.943 4.423 ( -2.726 1.746 -6.694) 7.436 4.583 ( 0.160 4.286 0.135) 4.291 4.680 ( -4.631 -3.408 8.391) 10.172 4.868 ( -0.874 2.321 -5.516) 6.048 4.883 ( 0.314 -1.127 -0.150) 1.180 4.926 ( 0.778 -2.646 0.688) 2.842 4.956 ( 1.859 1.141 -3.422) 4.058 5.030 ( -0.187 0.525 1.601) 1.695 5.083 ( 1.624 -4.151 -1.958) 4.869 5.311 ( -0.316 1.087 -5.510) 5.625 5.599 ( 4.197 -5.995 -11.916) 13.984 5.725 ( 1.251 1.310 -3.263) 3.731 5.753 ( 2.495 0.213 -4.181) 4.873 6.417 ( 0.455 0.347 0.038) 0.573 6.468 ( 1.176 -0.718 2.455) 2.815 8.543 ( -0.938 0.430 -2.170) 2.402 8.627 ( 2.854 -1.753 4.762) 5.821 10.360 ( 1.840 -0.193 1.210) 2.210 10.375 ( 2.020 -0.284 0.949) 2.249 11.121 ( -0.513 0.319 -0.583) 0.840 11.157 ( 0.673 -0.493 -0.282) 0.881 11.420 ( -1.306 0.371 0.229) 1.377 11.446 ( -0.533 -0.201 -0.676) 0.885 14.413 ( -0.269 -0.028 -1.253) 1.282 14.428 ( 0.262 -0.411 -0.371) 0.612 14.732 ( 1.726 1.450 4.174) 4.744 14.755 ( 1.221 1.061 0.375) 1.660 14.856 ( -0.976 -0.229 0.600) 1.168 14.892 ( 1.094 -0.603 1.416) 1.889 14.922 ( 0.270 1.208 -0.085) 1.241 15.038 ( 1.914 -1.642 -2.771) 3.747 15.443 ( -2.870 0.621 -1.644) 3.365 15.483 ( -2.099 -0.018 -0.121) 2.102 16.827 ( -2.285 0.589 -0.975) 2.553 16.877 ( -0.164 -0.446 0.019) 0.476 20.462 ( 5.957 -0.164 5.988) 8.448 20.476 ( 7.010 0.002 5.765) 9.076 21.838 ( 0.046 0.104 0.106) 0.156 21.843 ( 0.168 -0.032 0.096) 0.196 23.173 ( -0.291 0.127 0.433) 0.537 23.193 ( 0.305 -0.319 0.287) 0.527 28.217 ( 0.427 0.789 0.675) 1.122 28.294 ( 2.499 -0.984 1.990) 3.343 28.951 ( -0.288 0.336 0.800) 0.914 29.008 ( 0.937 -1.059 -0.527) 1.509 32.771 ( 0.480 2.422 0.075) 2.470 32.894 ( 3.470 0.043 -0.108) 3.472 33.138 ( -0.665 1.976 -1.882) 2.809 33.323 ( 3.667 -1.985 4.868) 6.410 33.756 ( -6.520 0.189 0.981) 6.596 33.863 ( -7.420 -2.753 6.582) 10.294 34.061 ( -2.176 4.266 -7.946) 9.277 34.354 ( 1.396 -3.301 -11.121) 11.684 ======================= Grid point 151 (86/96) ======================= q-point: (-0.22 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 10.110 5.672 6.256) 13.172 1.458 ( -0.193 9.010 2.787) 9.433 1.674 ( -9.758 5.762 13.742) 17.812 1.790 ( -7.737 3.113 9.145) 12.376 2.102 ( -0.503 -9.019 -1.149) 9.106 2.141 ( 1.134 -3.729 -4.118) 5.670 2.331 ( -2.917 11.017 -12.657) 17.032 2.459 ( -1.544 1.361 -3.391) 3.967 2.527 ( -0.927 -7.072 2.459) 7.545 2.619 ( -3.635 -1.288 2.527) 4.610 2.713 ( -8.124 -7.094 4.801) 11.805 2.848 ( 0.737 -1.596 -7.200) 7.411 2.954 ( 1.251 -0.891 0.572) 1.639 3.124 ( 4.280 -5.598 1.790) 7.271 3.181 ( 0.446 -1.347 1.705) 2.218 3.242 ( -6.480 1.475 4.224) 7.875 3.272 ( -0.820 0.179 7.019) 7.069 3.387 ( -11.293 5.147 8.894) 15.269 3.435 ( 1.256 0.803 0.138) 1.497 3.491 ( -1.848 2.629 1.491) 3.542 3.558 ( 5.795 -1.327 1.305) 6.086 3.590 ( -2.538 -0.193 -4.687) 5.333 3.703 ( 2.258 -4.104 3.604) 5.911 3.794 ( 0.501 0.422 2.969) 3.041 3.846 ( 1.853 2.696 -1.159) 3.471 3.898 ( 1.897 2.120 -0.624) 2.913 3.935 ( 0.425 -2.673 4.803) 5.513 4.072 ( -4.155 3.710 -1.226) 5.704 4.142 ( 1.225 -0.061 4.603) 4.764 4.212 ( -0.076 1.767 7.016) 7.235 4.297 ( 1.079 0.920 -4.931) 5.131 4.439 ( 5.128 1.282 -5.474) 7.610 4.563 ( -3.146 4.425 4.591) 7.110 4.619 ( -3.560 -2.476 6.242) 7.600 4.822 ( -1.968 3.629 -4.556) 6.148 4.908 ( 0.937 -0.992 -0.725) 1.546 4.940 ( 0.552 -1.682 1.750) 2.489 4.959 ( -0.837 0.087 -2.353) 2.499 5.006 ( -1.699 -0.499 -1.093) 2.081 5.120 ( 2.190 -2.461 1.046) 3.457 5.256 ( -3.407 2.032 -6.234) 7.389 5.581 ( -1.417 -6.135 -9.801) 11.649 5.716 ( -0.750 1.759 -5.547) 5.867 5.767 ( 0.277 0.035 -14.611) 14.614 6.463 ( 4.065 -0.137 0.417) 4.088 6.500 ( 1.954 -0.293 2.453) 3.150 8.535 ( 0.472 0.976 -0.449) 1.173 8.680 ( 0.846 -2.620 3.739) 4.643 10.412 ( 2.963 -0.173 2.104) 3.638 10.426 ( 2.801 -0.092 1.864) 3.366 11.112 ( -0.223 0.578 -0.834) 1.039 11.163 ( 0.062 -0.553 -1.158) 1.285 11.396 ( -1.132 0.297 0.334) 1.217 11.430 ( -0.707 -0.372 -1.263) 1.495 14.411 ( 0.337 -0.277 -0.486) 0.653 14.432 ( 0.399 -0.760 -0.385) 0.940 14.763 ( 0.547 0.967 1.596) 1.944 14.816 ( 3.787 1.669 3.484) 5.410 14.844 ( -0.392 0.009 0.571) 0.693 14.915 ( 1.162 0.893 1.193) 1.890 14.963 ( 3.459 -0.816 2.472) 4.329 15.053 ( 0.910 -1.583 -2.604) 3.181 15.376 ( -3.489 0.664 -2.188) 4.172 15.422 ( -4.140 -0.022 -0.686) 4.197 16.782 ( -1.692 1.126 -0.751) 2.166 16.869 ( -0.642 -0.685 0.063) 0.941 20.628 ( 8.562 -0.463 9.383) 12.711 20.684 ( 12.560 -1.572 6.726) 14.334 21.840 ( 0.111 0.123 0.130) 0.211 21.846 ( 0.061 -0.030 0.154) 0.168 23.167 ( -0.434 0.274 0.228) 0.562 23.197 ( -0.025 -0.395 0.308) 0.501 28.255 ( 3.388 0.541 1.518) 3.751 28.351 ( 2.670 -1.657 3.050) 4.379 28.949 ( -0.180 0.498 0.491) 0.722 29.017 ( -0.044 -1.216 -0.099) 1.221 32.795 ( 2.017 3.999 -0.052) 4.479 32.941 ( 0.983 2.509 0.998) 2.874 33.153 ( 3.109 0.840 -3.571) 4.809 33.370 ( -1.507 -2.329 6.388) 6.965 33.628 ( -6.313 0.315 -0.615) 6.351 33.772 ( -3.038 -2.845 4.779) 6.338 33.963 ( -5.626 4.162 -9.272) 11.616 34.295 ( -3.880 -4.005 -11.933) 13.171 ======================= Grid point 152 (87/96) ======================= q-point: (-0.11 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 6.071 8.281 6.874) 12.356 1.487 ( 1.942 6.685 3.768) 7.916 1.570 ( -4.654 6.998 15.693) 17.802 1.707 ( -3.757 5.575 10.589) 12.543 1.975 ( -7.680 -0.619 -4.975) 9.172 2.159 ( -1.660 0.611 -12.925) 13.046 2.332 ( 2.880 -0.638 -0.650) 3.021 2.435 ( -3.165 -6.932 1.839) 7.839 2.439 ( -1.218 3.094 -0.029) 3.325 2.590 ( -2.522 -12.731 -0.766) 13.001 2.643 ( 1.340 -10.599 -2.525) 10.978 2.835 ( -1.203 -0.992 -6.827) 7.003 2.965 ( -13.928 5.469 22.290) 26.847 3.015 ( 4.499 3.292 3.472) 6.568 3.140 ( -0.563 3.189 -1.448) 3.547 3.247 ( -1.309 6.623 2.332) 7.143 3.287 ( 0.661 -0.774 0.348) 1.075 3.382 ( 3.710 -2.697 5.575) 7.219 3.456 ( 0.982 -0.772 1.352) 1.840 3.467 ( -0.808 3.848 -1.261) 4.129 3.558 ( 0.935 -0.394 -2.889) 3.062 3.661 ( 3.566 -0.268 -0.976) 3.707 3.746 ( -3.504 -3.807 -1.973) 5.537 3.777 ( 2.403 -2.814 4.301) 5.674 3.869 ( -6.534 0.708 -2.621) 7.076 3.916 ( 4.450 0.806 -2.244) 5.048 3.935 ( 2.199 1.009 1.650) 2.928 4.036 ( 1.391 0.812 1.623) 2.287 4.172 ( -0.266 2.285 7.178) 7.538 4.225 ( 0.471 1.799 4.552) 4.917 4.373 ( 4.323 -3.388 -0.746) 5.543 4.471 ( -1.691 -4.193 0.861) 4.602 4.555 ( 2.192 3.187 3.513) 5.226 4.605 ( 1.549 1.894 3.336) 4.138 4.770 ( -2.024 6.315 -4.562) 8.049 4.894 ( -2.549 -0.883 -0.530) 2.749 4.910 ( -3.125 0.164 0.529) 3.173 4.966 ( 0.708 -0.291 5.328) 5.382 4.986 ( 1.210 0.474 -6.755) 6.879 5.106 ( -4.098 3.475 -1.840) 5.679 5.216 ( 1.594 -3.445 -1.327) 4.021 5.498 ( -4.354 -7.710 -9.753) 13.173 5.643 ( -4.993 0.935 -9.322) 10.616 5.690 ( -2.136 1.213 -12.571) 12.809 6.533 ( 2.712 -0.512 1.703) 3.243 6.566 ( 3.495 -0.903 0.587) 3.658 8.558 ( 2.043 1.497 0.233) 2.543 8.670 ( -2.657 -0.714 1.730) 3.250 10.475 ( 2.628 -0.238 2.267) 3.479 10.483 ( 2.448 -0.124 1.879) 3.088 11.107 ( 0.019 0.596 -0.799) 0.997 11.151 ( -0.866 -0.274 -1.809) 2.024 11.385 ( -0.331 -0.233 0.821) 0.916 11.415 ( -0.474 -0.664 -1.268) 1.508 14.421 ( 0.776 -0.423 -0.077) 0.887 14.440 ( 0.551 -0.618 -0.632) 1.042 14.779 ( 0.857 0.097 1.632) 1.846 14.841 ( -0.227 -0.482 0.684) 0.866 14.869 ( 1.326 1.245 -0.231) 1.834 14.936 ( -0.576 -0.686 -0.481) 1.016 15.045 ( 4.537 -0.179 2.479) 5.173 15.089 ( 3.347 0.264 0.460) 3.389 15.308 ( -2.726 0.650 -1.372) 3.121 15.336 ( -4.322 0.233 -0.405) 4.347 16.776 ( 1.284 0.396 0.383) 1.398 16.852 ( -1.373 -0.745 0.375) 1.607 20.815 ( 7.141 -0.847 11.295) 13.390 20.947 ( 12.358 -4.578 1.678) 13.285 21.842 ( 0.070 0.101 0.081) 0.147 21.846 ( -0.095 -0.004 0.121) 0.154 23.162 ( -0.042 0.345 0.387) 0.520 23.192 ( -0.614 -0.322 0.215) 0.726 28.353 ( 6.204 -1.131 1.002) 6.385 28.403 ( 1.447 -1.877 3.656) 4.357 28.948 ( 0.115 0.445 0.325) 0.563 29.002 ( -1.468 -0.961 -0.028) 1.754 32.846 ( 3.502 5.960 -0.536) 6.934 32.938 ( -1.542 5.169 1.377) 5.567 33.216 ( 4.147 -1.053 -4.363) 6.111 33.306 ( -5.796 -1.229 3.975) 7.134 33.544 ( -2.217 1.426 1.165) 2.882 33.783 ( -7.079 1.781 -3.119) 7.938 33.794 ( -0.062 -1.341 -0.556) 1.453 34.153 ( -6.689 -4.308 -10.081) 12.842 ======================= Grid point 153 (88/96) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -2.042 7.770 8.759) 11.886 1.643 ( 0.087 6.646 4.182) 7.853 1.766 ( 2.954 6.298 1.272) 7.072 1.812 ( -4.594 2.565 11.583) 12.722 1.852 ( 0.780 2.509 2.754) 3.807 2.008 ( -2.405 -7.272 -1.848) 7.879 2.235 ( -6.207 -2.721 5.178) 8.529 2.251 ( -5.503 -4.196 9.476) 11.734 2.411 ( 7.594 -3.755 -10.319) 13.351 2.459 ( 2.769 -7.461 -8.061) 11.328 2.602 ( 3.954 2.541 -3.751) 6.014 2.666 ( -2.376 -3.257 -9.096) 9.949 3.095 ( 2.020 1.995 4.587) 5.395 3.133 ( 1.329 0.038 2.034) 2.430 3.209 ( 0.135 7.119 1.685) 7.317 3.251 ( -1.162 2.097 -0.778) 2.520 3.354 ( 0.385 -1.165 3.905) 4.093 3.405 ( 3.567 -2.185 0.425) 4.204 3.468 ( -0.173 3.596 3.364) 4.927 3.518 ( -1.240 1.156 -0.107) 1.698 3.596 ( -0.962 1.531 1.776) 2.535 3.650 ( 1.137 -2.775 -0.260) 3.010 3.708 ( 3.303 -0.316 3.130) 4.562 3.745 ( -0.412 0.461 1.824) 1.926 3.823 ( -1.034 -0.348 1.337) 1.725 3.886 ( -4.427 -3.308 -1.372) 5.694 3.983 ( 1.659 0.209 2.186) 2.752 4.020 ( 1.959 -2.886 -0.648) 3.548 4.214 ( -2.078 2.668 6.910) 7.693 4.268 ( -0.870 -1.917 4.798) 5.239 4.349 ( 0.940 2.044 -5.057) 5.535 4.414 ( 3.253 -4.714 -8.367) 10.140 4.677 ( 0.580 5.154 11.471) 12.589 4.719 ( 1.174 1.186 8.146) 8.315 4.844 ( -2.460 2.767 -0.121) 3.704 4.872 ( 1.938 3.520 -6.170) 7.363 4.894 ( 0.670 -1.471 -0.932) 1.866 4.942 ( -0.967 -1.332 -2.416) 2.923 5.058 ( 0.951 4.529 -2.938) 5.481 5.110 ( -0.195 2.337 -3.637) 4.328 5.161 ( 0.755 -3.251 -0.706) 3.412 5.211 ( -4.713 -8.200 -5.165) 10.777 5.553 ( -3.286 1.124 -5.355) 6.383 5.584 ( -3.308 -1.995 -7.849) 8.748 6.564 ( -0.183 0.384 1.660) 1.714 6.579 ( 0.943 -1.088 0.123) 1.445 8.640 ( 0.812 1.439 0.903) 1.883 8.650 ( 1.073 0.568 -0.065) 1.216 10.508 ( 0.463 0.008 1.086) 1.180 10.512 ( 0.611 -0.409 0.667) 0.993 11.118 ( -0.124 0.458 -0.273) 0.547 11.124 ( -0.675 -0.154 -0.953) 1.178 11.376 ( -0.251 -0.046 0.481) 0.544 11.385 ( -0.378 -0.860 -0.387) 1.016 14.432 ( 0.724 0.002 -0.364) 0.811 14.437 ( 0.521 -0.471 -0.828) 1.086 14.796 ( 0.387 -0.082 1.137) 1.204 14.807 ( -0.766 -1.074 0.197) 1.334 14.897 ( -0.080 0.474 -0.400) 0.625 14.902 ( -0.506 -0.079 -0.944) 1.074 15.135 ( 1.855 0.834 0.482) 2.090 15.145 ( 1.429 -0.096 -0.555) 1.536 15.285 ( -1.075 0.525 0.870) 1.479 15.289 ( -0.599 0.172 0.489) 0.792 16.798 ( -0.218 0.133 0.918) 0.953 16.811 ( -0.006 -1.116 -0.375) 1.178 20.920 ( 1.153 0.686 6.438) 6.576 20.973 ( 1.568 -4.864 1.173) 5.243 21.845 ( 0.095 0.047 0.023) 0.109 21.846 ( 0.061 0.028 -0.001) 0.067 23.172 ( 0.073 0.154 0.435) 0.467 23.176 ( -0.216 -0.172 0.078) 0.286 28.386 ( -0.342 -0.453 1.853) 1.938 28.402 ( 1.603 -2.144 0.348) 2.700 28.962 ( 0.417 0.077 0.174) 0.459 28.966 ( -0.475 -0.267 -0.195) 0.578 33.006 ( -3.090 4.963 2.142) 6.226 33.045 ( 1.936 2.236 -1.345) 3.249 33.210 ( 0.299 1.381 1.022) 1.743 33.251 ( 3.782 -1.980 -2.502) 4.948 33.655 ( 5.416 5.629 1.338) 7.925 33.697 ( -8.506 7.400 -3.127) 11.701 33.776 ( 4.735 -5.865 3.009) 8.117 33.868 ( -7.552 -8.476 -6.523) 13.093 ======================= Grid point 154 (89/96) ======================= q-point: ( 0.11 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -2.321 9.200 5.850) 11.147 1.625 ( -3.611 6.733 3.806) 8.535 1.755 ( -0.485 4.655 -0.971) 4.779 1.880 ( 2.718 -4.825 3.897) 6.772 1.927 ( 5.465 4.265 7.483) 10.200 1.989 ( 2.324 -1.526 4.261) 5.088 2.155 ( -3.659 -3.605 6.324) 8.147 2.226 ( 0.987 -8.403 6.622) 10.744 2.425 ( -1.830 4.226 -4.394) 6.365 2.544 ( 7.522 -4.668 -6.118) 10.761 2.663 ( 6.219 -0.889 -8.267) 10.383 2.688 ( 4.452 -4.467 -5.285) 8.228 3.126 ( -1.116 0.342 -1.355) 1.788 3.137 ( -2.650 -0.513 -0.823) 2.822 3.180 ( -2.660 4.871 0.879) 5.620 3.248 ( 1.389 0.673 2.113) 2.617 3.354 ( -0.591 0.432 0.573) 0.929 3.427 ( -0.434 -3.933 -4.522) 6.009 3.493 ( 0.468 1.161 1.510) 1.961 3.506 ( -0.378 0.510 1.568) 1.691 3.595 ( 0.713 4.429 4.538) 6.381 3.685 ( -1.377 5.398 -2.607) 6.151 3.698 ( 0.917 -3.598 -0.379) 3.733 3.790 ( -2.275 -4.211 -1.406) 4.989 3.802 ( 4.572 2.491 5.557) 7.615 3.873 ( 1.451 -2.898 4.135) 5.254 4.008 ( 0.122 1.610 -0.475) 1.683 4.054 ( 0.437 -2.288 0.919) 2.504 4.228 ( 2.358 0.158 2.266) 3.274 4.247 ( -0.501 -1.197 1.876) 2.281 4.330 ( -0.831 2.853 -4.078) 5.046 4.411 ( -0.562 -3.962 -5.017) 6.417 4.700 ( -1.461 7.280 5.579) 9.287 4.757 ( 2.093 1.157 1.633) 2.896 4.806 ( -1.799 3.910 -0.414) 4.323 4.846 ( -2.164 2.060 -2.338) 3.794 4.892 ( -1.458 -2.144 3.612) 4.446 4.957 ( 0.918 -3.582 -2.019) 4.213 5.037 ( -1.832 1.132 -3.885) 4.442 5.098 ( -4.225 -5.768 -4.493) 8.445 5.148 ( 2.914 2.354 -1.035) 3.887 5.195 ( 4.004 -2.761 3.406) 5.937 5.544 ( 2.349 0.986 2.192) 3.361 5.572 ( 2.958 -1.865 -0.056) 3.497 6.541 ( -2.334 1.543 0.534) 2.848 6.573 ( -1.726 -1.369 -0.243) 2.216 8.629 ( -0.888 3.279 -1.412) 3.679 8.681 ( 1.272 -1.812 -1.540) 2.696 10.496 ( -1.790 0.043 -0.229) 1.805 10.502 ( -1.665 -0.537 -0.595) 1.848 11.112 ( -0.311 0.644 0.191) 0.740 11.121 ( 0.272 -0.337 0.460) 0.632 11.378 ( 0.167 -0.124 0.966) 0.988 11.383 ( 0.169 -0.620 0.375) 0.744 14.437 ( 0.044 -0.071 -1.668) 1.670 14.439 ( 0.296 -0.265 -1.531) 1.582 14.799 ( 0.148 0.543 0.506) 0.757 14.822 ( 1.437 -1.676 1.001) 2.424 14.884 ( -0.825 0.773 -0.009) 1.130 14.895 ( -0.132 -0.337 0.216) 0.421 15.121 ( -2.916 0.846 -3.070) 4.318 15.129 ( -2.334 0.012 -2.724) 3.587 15.296 ( 1.717 1.150 1.913) 2.816 15.313 ( 2.510 -0.567 1.591) 3.025 16.788 ( -0.450 1.308 0.696) 1.548 16.823 ( 0.645 -2.147 0.325) 2.266 20.884 ( -6.151 0.213 2.466) 6.631 20.920 ( -6.509 -3.494 -2.113) 7.684 21.846 ( 0.058 0.162 -0.108) 0.203 21.849 ( 0.169 -0.077 -0.156) 0.242 23.171 ( -0.105 0.439 0.327) 0.558 23.181 ( 0.266 -0.548 0.386) 0.721 28.356 ( -2.851 1.068 0.269) 3.056 28.398 ( -1.741 -3.265 -0.897) 3.807 28.963 ( 0.190 0.572 -0.094) 0.610 28.978 ( 0.797 -0.978 0.250) 1.286 32.938 ( -4.096 5.121 1.250) 6.675 33.016 ( -3.620 -2.347 0.863) 4.400 33.257 ( 2.083 7.135 -3.919) 8.402 33.340 ( 6.172 -1.995 -2.834) 7.079 33.587 ( -1.427 5.496 0.388) 5.691 33.736 ( -2.979 -6.198 -1.672) 7.077 33.794 ( 7.076 2.812 1.239) 7.714 33.895 ( 5.842 -5.402 5.577) 9.717 ======================= Grid point 155 (90/96) ======================= q-point: ( 0.22 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -11.639 11.551 -1.978) 16.517 1.581 ( -6.173 2.480 3.184) 7.375 1.805 ( 5.487 -0.211 0.614) 5.525 1.861 ( -2.162 -9.133 -1.079) 9.447 2.059 ( 8.113 7.086 4.289) 11.595 2.141 ( 9.401 -0.893 2.187) 9.693 2.218 ( 7.639 2.299 11.547) 14.035 2.323 ( 5.085 -4.684 2.605) 7.388 2.411 ( 2.274 3.646 -1.571) 4.575 2.619 ( 1.608 -8.381 -2.065) 8.780 2.744 ( 4.309 1.915 -5.594) 7.317 2.800 ( 8.306 -1.488 -5.274) 9.951 3.001 ( -7.654 0.246 -2.291) 7.994 3.023 ( -7.820 -2.749 0.685) 8.317 3.190 ( -1.181 3.045 -0.233) 3.275 3.287 ( -0.871 -5.650 -2.790) 6.361 3.333 ( 1.980 2.232 -1.841) 3.506 3.386 ( -1.577 -1.608 -1.329) 2.615 3.482 ( -2.480 0.190 2.096) 3.253 3.487 ( -3.197 -1.452 1.902) 3.993 3.587 ( -1.914 2.481 1.678) 3.555 3.648 ( -1.411 -1.542 -1.139) 2.381 3.713 ( 2.575 4.127 1.150) 4.998 3.806 ( 2.229 -2.121 -1.144) 3.283 3.874 ( -0.267 0.952 2.303) 2.507 3.913 ( 0.957 -1.995 1.865) 2.894 4.017 ( 3.289 2.752 0.533) 4.322 4.074 ( 1.560 -2.555 1.245) 3.242 4.246 ( 0.558 2.825 0.163) 2.884 4.266 ( 0.352 0.833 0.606) 1.089 4.374 ( 6.407 2.364 -5.139) 8.547 4.400 ( 0.474 2.199 0.117) 2.253 4.687 ( -0.561 4.443 0.247) 4.485 4.750 ( -2.649 5.723 -2.355) 6.732 4.791 ( 0.574 -0.482 0.533) 0.920 4.833 ( -0.708 -1.269 5.899) 6.075 4.861 ( -2.135 -4.256 1.098) 4.887 4.878 ( -5.063 -7.799 0.304) 9.303 5.029 ( 1.350 0.235 -4.200) 4.418 5.052 ( 0.441 -2.132 -3.267) 3.926 5.222 ( 3.364 3.876 2.717) 5.807 5.289 ( 3.187 -2.965 5.004) 6.633 5.616 ( 3.192 1.476 4.793) 5.944 5.644 ( 3.334 -1.310 2.308) 4.262 6.489 ( -3.161 2.053 0.136) 3.771 6.523 ( -2.951 -1.206 -0.515) 3.229 8.604 ( -1.025 3.724 -2.441) 4.569 8.681 ( -0.467 -3.839 -2.994) 4.891 10.446 ( -2.938 0.102 -1.304) 3.216 10.453 ( -2.905 -0.521 -1.412) 3.271 11.112 ( 0.117 0.962 0.756) 1.229 11.129 ( 0.271 -0.799 0.804) 1.166 11.390 ( 0.804 0.031 1.336) 1.559 11.394 ( 0.749 -0.317 1.323) 1.553 14.430 ( -0.003 0.250 -2.180) 2.194 14.438 ( 0.247 -0.508 -2.139) 2.212 14.806 ( 0.171 1.790 0.216) 1.811 14.844 ( 0.534 -1.669 -0.217) 1.765 14.875 ( -0.251 1.369 0.141) 1.399 14.903 ( 0.593 -1.749 1.225) 2.216 15.031 ( -4.617 1.357 -4.695) 6.724 15.052 ( -4.109 -0.677 -4.002) 5.776 15.352 ( 3.229 1.564 2.484) 4.363 15.380 ( 3.593 -1.172 2.118) 4.333 16.793 ( 0.686 1.909 1.216) 2.365 16.834 ( 0.396 -2.134 0.933) 2.363 20.729 ( -9.685 0.195 -1.141) 9.754 20.749 ( -9.838 -1.829 -3.406) 10.570 21.846 ( -0.085 0.207 -0.162) 0.276 21.849 ( -0.075 -0.123 -0.236) 0.276 23.172 ( 0.033 0.517 0.541) 0.750 23.184 ( -0.106 -0.660 0.542) 0.861 28.298 ( -2.830 1.886 -0.631) 3.459 28.347 ( -2.919 -3.032 -1.203) 4.378 28.967 ( 0.162 0.712 -0.087) 0.735 28.986 ( -0.094 -1.229 0.323) 1.275 32.870 ( -3.307 4.152 0.657) 5.349 32.943 ( -4.222 -2.901 0.799) 5.184 33.240 ( -1.779 8.633 -1.864) 9.009 33.386 ( -1.462 -6.153 -3.093) 7.041 33.656 ( 8.063 4.265 -0.556) 9.138 33.750 ( 4.588 -4.329 -0.514) 6.329 33.940 ( 7.334 3.106 1.866) 8.180 34.018 ( 4.856 -4.165 6.708) 9.270 ======================= Grid point 156 (91/96) ======================= q-point: ( 0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -10.871 8.351 -4.902) 14.559 1.388 ( -13.047 -6.205 -0.671) 14.463 1.871 ( 2.791 -0.245 -0.960) 2.962 1.920 ( 5.078 -3.157 1.331) 6.126 2.243 ( 8.386 8.349 -6.211) 13.365 2.291 ( 6.529 6.301 1.519) 9.200 2.395 ( 7.296 2.148 7.756) 10.863 2.437 ( 7.938 -4.294 -0.260) 9.028 2.485 ( 3.179 -5.393 -1.960) 6.560 2.607 ( -2.597 -10.192 4.009) 11.256 2.796 ( -0.113 9.219 0.580) 9.238 2.864 ( -2.305 0.680 -0.943) 2.582 2.878 ( -2.293 -1.469 -0.404) 2.753 2.933 ( 0.978 -3.470 -0.674) 3.668 3.134 ( -2.589 3.175 -3.698) 5.519 3.253 ( 1.510 -6.985 -4.692) 8.549 3.333 ( -4.358 -0.274 2.551) 5.057 3.355 ( -4.836 -2.962 2.967) 6.400 3.423 ( -0.330 1.431 1.212) 1.904 3.469 ( 1.156 -2.547 1.026) 2.979 3.587 ( 1.147 0.710 0.262) 1.374 3.625 ( -0.986 -1.675 -1.963) 2.763 3.786 ( 2.630 3.431 -0.301) 4.334 3.825 ( -1.716 -0.334 -0.106) 1.751 3.859 ( 2.060 4.846 3.926) 6.568 3.943 ( 2.647 -2.446 1.054) 3.756 4.055 ( 1.136 -0.357 -6.050) 6.166 4.068 ( -3.368 -2.076 -2.649) 4.761 4.264 ( 0.414 4.017 3.934) 5.638 4.292 ( -1.069 1.469 6.197) 6.458 4.411 ( 2.223 6.680 0.428) 7.053 4.472 ( 3.022 1.849 -0.002) 3.543 4.668 ( 1.161 4.053 -2.869) 5.099 4.759 ( 3.407 -1.307 -0.183) 3.653 4.792 ( -1.603 1.148 2.684) 3.330 4.807 ( -0.596 -4.010 -2.437) 4.730 4.845 ( 0.412 -4.123 -0.841) 4.228 4.865 ( 0.836 -3.552 5.724) 6.788 5.036 ( 0.664 1.165 -3.192) 3.462 5.066 ( 1.804 -1.346 -2.991) 3.743 5.262 ( -0.101 3.105 2.625) 4.067 5.325 ( -0.973 -3.097 4.372) 5.446 5.676 ( 1.586 1.188 4.072) 4.528 5.696 ( 1.602 -0.889 1.624) 2.448 6.435 ( -2.272 2.101 0.635) 3.159 6.473 ( -2.140 -1.628 -0.167) 2.694 8.578 ( -0.865 3.253 -2.139) 3.988 8.651 ( -1.497 -3.945 -3.620) 5.559 10.388 ( -2.591 0.082 -1.586) 3.040 10.394 ( -2.680 -0.485 -1.613) 3.165 11.119 ( 0.329 0.809 0.813) 1.193 11.135 ( 0.059 -0.801 0.645) 1.030 11.414 ( 1.117 0.119 1.534) 1.901 11.416 ( 0.993 -0.120 1.749) 2.015 14.427 ( 0.355 0.491 -2.006) 2.096 14.437 ( 0.403 -0.539 -2.261) 2.359 14.798 ( -1.130 2.055 -0.892) 2.509 14.836 ( -1.627 -1.393 -2.674) 3.426 14.867 ( -0.180 1.418 -0.400) 1.484 14.904 ( -0.812 -2.128 -0.463) 2.325 14.953 ( -1.683 1.673 -2.233) 3.259 14.981 ( -1.878 -1.096 -1.779) 2.809 15.422 ( 3.180 1.452 2.399) 4.239 15.449 ( 2.853 -1.178 1.963) 3.658 16.819 ( 1.429 1.333 1.729) 2.609 16.846 ( 0.538 -1.342 1.428) 2.033 20.546 ( -8.459 0.438 -2.276) 8.771 20.560 ( -8.577 -0.897 -3.201) 9.199 21.843 ( -0.159 0.154 -0.154) 0.269 21.845 ( -0.223 -0.101 -0.195) 0.313 23.174 ( 0.020 0.272 0.662) 0.716 23.181 ( -0.296 -0.417 0.672) 0.844 28.255 ( -1.519 1.701 -0.579) 2.353 28.293 ( -2.404 -2.068 -0.906) 3.298 28.967 ( 0.002 0.306 -0.199) 0.365 28.978 ( -0.679 -0.787 0.343) 1.094 32.822 ( -1.920 2.623 0.278) 3.263 32.870 ( -3.549 -2.082 0.483) 4.143 33.206 ( -1.206 6.125 -0.447) 6.259 33.317 ( -3.967 -4.959 -1.650) 6.561 33.817 ( 7.876 1.608 -0.979) 8.098 33.847 ( 4.200 -0.975 2.319) 4.896 34.075 ( 6.973 0.957 -1.707) 7.243 34.110 ( 2.947 -2.211 4.997) 6.208 ======================= Grid point 157 (92/96) ======================= q-point: ( 0.44 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -3.911 0.865 -3.719) 5.466 1.145 ( -10.371 -7.108 -3.885) 13.160 1.931 ( 3.467 0.522 -0.430) 3.532 1.966 ( -1.025 -1.987 1.546) 2.718 2.308 ( 3.051 5.157 -7.223) 9.385 2.366 ( -2.241 0.259 -4.231) 4.795 2.486 ( -1.733 -0.291 5.488) 5.763 2.524 ( 0.734 -2.481 2.882) 3.873 2.560 ( 5.484 -0.989 -0.018) 5.572 2.572 ( 1.193 -4.303 0.993) 4.575 2.801 ( 2.598 5.491 2.024) 6.403 2.853 ( -0.279 5.555 1.932) 5.888 2.873 ( 1.333 -3.934 0.826) 4.235 2.954 ( -0.749 -2.383 0.918) 2.661 3.130 ( 3.480 5.296 -0.988) 6.413 3.261 ( -0.320 -6.423 0.607) 6.460 3.271 ( -1.723 -0.879 1.945) 2.743 3.299 ( -2.022 -2.875 0.125) 3.517 3.442 ( 1.279 2.666 2.614) 3.946 3.494 ( 0.832 -2.245 -1.563) 2.860 3.573 ( -2.394 -2.093 -3.036) 4.396 3.583 ( -2.359 -3.215 -2.360) 4.634 3.791 ( -0.667 1.922 3.767) 4.281 3.811 ( 0.373 0.094 1.443) 1.494 3.897 ( -0.520 3.002 -0.007) 3.047 3.956 ( -5.521 -1.933 -1.633) 6.074 4.033 ( 4.414 3.814 -0.519) 5.857 4.088 ( 2.815 -1.250 -4.717) 5.634 4.249 ( -0.725 3.928 3.600) 5.377 4.265 ( -1.286 3.433 3.636) 5.163 4.476 ( 1.374 2.584 3.116) 4.274 4.494 ( 0.094 1.213 2.634) 2.901 4.698 ( 0.603 2.924 0.230) 2.995 4.726 ( -5.007 2.119 2.531) 5.997 4.793 ( -0.231 -5.202 2.096) 5.613 4.815 ( 0.220 -6.621 -2.143) 6.963 4.892 ( 4.207 2.123 1.258) 4.877 4.920 ( 2.582 -0.611 0.512) 2.702 5.048 ( 2.309 2.977 -3.061) 4.854 5.088 ( 0.188 0.386 -1.639) 1.695 5.268 ( 2.709 -1.224 -2.608) 3.955 5.294 ( -2.041 -2.985 0.124) 3.618 5.705 ( 0.657 0.801 2.275) 2.500 5.720 ( 0.758 -0.723 0.402) 1.122 6.415 ( -0.330 1.173 1.658) 2.058 6.441 ( -1.313 -1.457 0.443) 2.011 8.563 ( -0.229 2.145 -0.793) 2.298 8.609 ( -1.626 -2.501 -3.246) 4.409 10.346 ( -1.243 -0.072 -1.042) 1.624 10.350 ( -1.396 -0.382 -1.207) 1.885 11.128 ( 0.419 0.349 0.624) 0.829 11.136 ( -0.089 -0.434 0.359) 0.570 11.436 ( 0.607 0.073 1.436) 1.561 11.437 ( 0.703 -0.023 1.228) 1.415 14.429 ( 0.328 0.480 -1.512) 1.620 14.436 ( 0.118 -0.281 -1.975) 1.999 14.761 ( -1.934 1.404 -1.369) 2.754 14.780 ( -2.219 -0.342 -3.292) 3.985 14.870 ( 0.081 0.400 0.489) 0.637 14.888 ( -0.584 -1.154 -0.654) 1.449 14.945 ( 0.553 0.806 -0.422) 1.065 14.961 ( -0.157 -0.666 -1.092) 1.289 15.478 ( 1.960 0.824 1.585) 2.652 15.492 ( 1.134 -0.538 1.088) 1.661 16.850 ( 1.154 0.437 1.494) 1.938 16.860 ( 0.375 -0.541 1.235) 1.400 20.418 ( -4.275 0.437 -0.826) 4.376 20.426 ( -4.538 -0.349 -1.391) 4.759 21.840 ( -0.072 0.056 -0.091) 0.130 21.841 ( -0.169 -0.033 -0.103) 0.200 23.177 ( 0.012 0.020 0.656) 0.657 23.178 ( -0.160 -0.151 0.620) 0.658 28.238 ( -0.253 0.824 -0.058) 0.863 28.254 ( -1.478 -0.807 -0.409) 1.733 28.966 ( -0.398 -0.087 0.294) 0.502 28.969 ( 0.018 -0.353 -0.273) 0.447 32.803 ( -0.010 0.945 -0.021) 0.945 32.819 ( -1.871 -0.552 0.195) 1.961 33.197 ( 0.311 2.716 0.533) 2.785 33.246 ( -2.946 -2.097 -0.846) 3.714 33.895 ( -0.206 1.059 5.092) 5.205 33.918 ( 2.103 -1.268 1.361) 2.807 34.162 ( 2.018 1.147 -0.045) 2.322 34.189 ( 6.019 -1.559 -5.665) 8.411 ======================= Grid point 158 (93/96) ======================= q-point: (-0.44 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -0.764 1.417 1.569) 2.248 1.121 ( 8.736 -10.137 -1.666) 13.486 1.907 ( -4.809 3.142 1.971) 6.073 1.979 ( 0.704 -3.441 0.463) 3.543 2.225 ( -9.170 5.763 0.943) 10.872 2.318 ( -1.928 -3.081 -0.577) 3.680 2.456 ( -3.533 1.797 6.931) 7.984 2.525 ( -1.569 -5.385 2.816) 6.276 2.598 ( 1.499 0.548 -3.237) 3.609 2.630 ( 4.272 -2.122 -3.492) 5.912 2.829 ( -2.172 3.064 -0.211) 3.762 2.864 ( 0.706 0.489 0.257) 0.896 2.907 ( -0.061 3.757 -0.733) 3.828 2.964 ( 4.639 -0.860 -0.740) 4.776 3.141 ( -7.409 3.003 0.080) 7.995 3.221 ( -1.347 -3.350 -1.059) 3.763 3.281 ( 2.215 -1.662 3.376) 4.367 3.299 ( 2.119 -3.307 2.054) 4.432 3.453 ( 0.089 0.924 0.222) 0.954 3.513 ( -0.120 -3.207 -1.339) 3.477 3.547 ( 1.907 -2.051 -1.720) 3.286 3.565 ( 1.711 -2.296 -0.326) 2.881 3.783 ( -2.223 3.987 4.482) 6.398 3.833 ( 0.369 -0.586 2.931) 3.012 3.873 ( -0.819 0.938 0.380) 1.302 3.901 ( 1.318 -1.937 0.121) 2.346 4.025 ( -6.069 2.125 0.202) 6.434 4.039 ( -4.420 0.838 -0.186) 4.503 4.299 ( 0.242 8.127 2.946) 8.648 4.327 ( 6.598 5.501 -3.560) 9.299 4.451 ( -3.902 -1.663 2.775) 5.069 4.471 ( -3.760 0.250 5.970) 7.060 4.655 ( -3.244 2.891 4.071) 5.954 4.705 ( 0.211 4.561 1.226) 4.728 4.770 ( -1.639 -7.646 2.194) 8.121 4.825 ( 0.664 -6.067 -0.713) 6.144 4.943 ( 1.543 0.844 -1.261) 2.164 4.947 ( 1.590 0.073 -1.967) 2.530 5.045 ( -2.894 2.743 -2.731) 4.833 5.073 ( -1.083 0.448 -0.032) 1.172 5.303 ( 4.529 1.111 -6.053) 7.641 5.373 ( 8.282 -5.410 -7.095) 12.174 5.722 ( 0.896 0.716 0.636) 1.312 5.733 ( 0.880 -0.497 -0.566) 1.159 6.425 ( -0.293 -0.224 0.982) 1.049 6.426 ( 0.430 -0.286 1.689) 1.766 8.566 ( 0.537 0.279 0.965) 1.139 8.574 ( -1.121 -0.539 -1.938) 2.303 10.336 ( 0.318 -0.039 -0.050) 0.324 10.339 ( 0.546 -0.396 -0.215) 0.708 11.134 ( -0.160 0.106 0.025) 0.193 11.137 ( 0.416 -0.229 0.268) 0.545 11.442 ( -0.318 0.273 0.687) 0.805 11.447 ( -0.018 -0.213 0.437) 0.486 14.427 ( -0.177 0.131 -0.937) 0.963 14.428 ( -0.429 0.027 -1.429) 1.492 14.737 ( -0.141 1.242 0.740) 1.452 14.752 ( 0.006 -0.159 -0.760) 0.776 14.867 ( -0.586 0.047 0.994) 1.155 14.873 ( -0.828 -0.565 0.269) 1.037 14.951 ( 0.416 1.209 -1.044) 1.651 14.975 ( 1.792 -1.276 -1.944) 2.936 15.496 ( -0.870 0.364 -0.205) 0.965 15.500 ( -0.051 -0.022 0.340) 0.344 16.862 ( -0.475 0.157 0.311) 0.589 16.867 ( 0.223 -0.279 0.558) 0.662 20.388 ( 0.876 0.211 2.139) 2.321 20.391 ( 0.909 -0.001 1.955) 2.156 21.839 ( -0.015 0.059 0.005) 0.061 21.840 ( 0.076 -0.037 -0.004) 0.084 23.177 ( -0.073 0.111 0.572) 0.587 23.181 ( 0.150 -0.233 0.416) 0.499 28.235 ( -0.483 0.449 0.186) 0.685 28.243 ( 0.725 -0.365 0.632) 1.029 28.961 ( -0.141 0.433 0.372) 0.587 28.974 ( 0.516 -0.862 -0.353) 1.065 32.804 ( 0.298 1.271 -0.037) 1.306 32.823 ( 2.124 -0.637 -0.261) 2.233 33.204 ( -1.173 1.075 -0.003) 1.591 33.222 ( 1.716 -0.748 1.407) 2.341 33.866 ( -4.373 1.401 4.823) 6.660 33.905 ( -4.150 -2.554 4.347) 6.530 34.184 ( 1.044 4.058 -5.424) 6.854 34.260 ( 3.596 -3.631 -7.954) 9.454 ======================= Grid point 159 (94/96) ======================= q-point: (-0.33 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 11.248 10.070 5.037) 15.915 1.356 ( 14.276 -11.914 2.466) 18.757 1.822 ( -4.721 4.641 3.645) 7.558 1.933 ( -5.909 -4.249 0.447) 7.292 2.062 ( -8.813 9.668 7.162) 14.914 2.245 ( -6.191 -6.624 5.507) 10.609 2.407 ( -2.956 0.288 3.113) 4.302 2.459 ( -4.964 -4.341 -1.728) 6.817 2.600 ( 0.054 5.159 -7.213) 8.868 2.727 ( 4.313 -5.656 -2.971) 7.708 2.800 ( -4.159 5.331 0.663) 6.794 2.830 ( -4.135 4.250 0.234) 5.934 2.877 ( 1.408 -3.107 -0.706) 3.484 2.939 ( -4.112 -5.167 -2.193) 6.959 3.103 ( 4.125 3.292 -0.345) 5.288 3.200 ( -0.963 -5.292 0.742) 5.430 3.343 ( 1.827 0.550 1.023) 2.165 3.367 ( 5.056 -1.963 3.288) 6.342 3.463 ( -0.323 -0.082 -2.677) 2.698 3.485 ( 0.118 -2.755 -1.699) 3.239 3.565 ( -1.925 0.454 1.483) 2.472 3.596 ( 0.851 -2.817 1.286) 3.212 3.755 ( -3.135 6.350 3.799) 8.036 3.842 ( -1.312 -2.512 1.462) 3.188 3.878 ( -1.359 3.532 2.864) 4.746 3.920 ( -0.035 2.661 1.654) 3.133 3.934 ( -2.913 -1.450 4.717) 5.730 3.988 ( 3.011 -3.550 -0.095) 4.656 4.219 ( -6.837 7.628 8.242) 13.148 4.325 ( -8.445 -0.894 8.198) 11.804 4.426 ( 2.878 4.103 -2.625) 5.657 4.438 ( -4.131 1.463 -0.638) 4.429 4.630 ( -0.038 2.573 2.728) 3.750 4.702 ( -1.093 5.944 0.896) 6.109 4.786 ( 3.626 -8.085 -2.311) 9.158 4.830 ( 0.227 -5.457 -0.915) 5.538 4.950 ( -0.344 2.415 -5.889) 6.375 4.974 ( 1.643 0.033 -4.305) 4.608 5.009 ( 0.197 -0.810 0.056) 0.836 5.027 ( -2.255 -1.293 0.554) 2.658 5.364 ( 2.617 4.389 -7.241) 8.862 5.472 ( 3.907 -6.426 -9.840) 12.385 5.745 ( 1.602 0.777 -2.610) 3.160 5.754 ( 2.006 -0.136 -2.997) 3.609 6.429 ( 0.809 0.874 1.239) 1.718 6.449 ( 1.125 -1.117 2.143) 2.665 8.558 ( -0.202 1.160 -0.185) 1.192 8.589 ( 1.173 -1.946 2.488) 3.369 10.360 ( 2.011 0.181 1.035) 2.268 10.367 ( 2.136 -0.475 0.979) 2.397 11.131 ( -0.118 0.644 -0.348) 0.742 11.145 ( 0.339 -0.743 -0.255) 0.856 11.430 ( -1.066 0.534 -0.089) 1.196 11.439 ( -0.762 -0.439 -0.428) 0.978 14.414 ( -0.493 0.153 -0.760) 0.919 14.419 ( -0.316 -0.376 -0.368) 0.614 14.763 ( 1.972 1.381 3.102) 3.926 14.773 ( 1.996 0.430 1.523) 2.547 14.856 ( -0.618 0.303 0.711) 0.990 14.872 ( 0.563 -1.219 1.630) 2.112 14.956 ( 0.500 2.090 -1.449) 2.592 14.999 ( 1.232 -2.244 -2.275) 3.425 15.460 ( -2.642 1.004 -1.360) 3.137 15.477 ( -2.288 -0.665 -0.793) 2.511 16.843 ( -1.427 1.016 -0.661) 1.872 16.863 ( -0.590 -0.938 -0.285) 1.144 20.464 ( 5.798 0.324 5.595) 8.064 20.472 ( 6.272 -0.420 5.567) 8.396 21.840 ( 0.102 0.136 0.100) 0.197 21.842 ( 0.149 -0.092 0.094) 0.199 23.177 ( -0.094 0.309 0.358) 0.482 23.185 ( 0.139 -0.427 0.309) 0.545 28.239 ( 0.812 1.391 0.936) 1.863 28.268 ( 1.606 -1.514 1.438) 2.634 28.962 ( 0.103 0.867 0.314) 0.928 28.984 ( 0.555 -1.302 -0.201) 1.429 32.829 ( 2.338 3.113 -0.369) 3.911 32.879 ( 3.786 -1.784 -0.414) 4.206 33.196 ( 0.188 3.686 0.526) 3.728 33.269 ( 2.155 -3.505 3.034) 5.112 33.769 ( -6.802 1.346 2.684) 7.435 33.809 ( -6.901 -2.605 4.660) 8.725 34.159 ( -1.617 5.565 -8.223) 10.060 34.267 ( -0.130 -5.292 -9.586) 10.950 ======================= Grid point 160 (95/96) ======================= q-point: (-0.22 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 14.222 14.111 4.848) 20.613 1.587 ( 5.927 0.935 2.855) 6.645 1.775 ( -1.804 -3.760 3.448) 5.411 1.812 ( -3.299 -3.219 3.458) 5.763 1.946 ( -6.244 8.482 9.923) 14.470 2.125 ( -8.072 -4.391 6.202) 11.086 2.345 ( -3.157 -4.953 -3.873) 7.036 2.392 ( -1.509 -7.650 -3.076) 8.382 2.563 ( 0.298 11.549 -12.926) 17.336 2.619 ( -10.850 2.425 3.104) 11.542 2.658 ( -11.816 -1.215 5.420) 13.056 2.781 ( -0.080 -7.655 -10.199) 12.753 2.949 ( 5.307 1.668 2.900) 6.273 3.007 ( 5.682 -4.476 2.385) 7.616 3.173 ( 2.735 0.694 2.277) 3.625 3.220 ( 3.702 -3.518 3.157) 6.004 3.316 ( -4.324 5.549 -0.247) 7.039 3.425 ( -1.239 -3.435 -3.563) 5.102 3.475 ( 1.380 0.703 3.416) 3.751 3.494 ( 1.513 -1.180 -0.067) 1.920 3.535 ( -1.464 3.148 5.748) 6.715 3.614 ( 0.746 -4.192 4.338) 6.079 3.672 ( -3.676 5.665 1.825) 6.996 3.771 ( -4.358 -3.703 0.902) 5.790 3.890 ( -1.638 2.473 4.283) 5.210 3.911 ( 2.496 0.938 0.228) 2.676 3.978 ( 1.781 3.902 3.391) 5.468 4.055 ( 1.820 -3.626 -0.401) 4.077 4.174 ( -0.289 2.450 7.416) 7.816 4.228 ( -3.999 -1.820 8.612) 9.668 4.339 ( -3.681 3.299 -3.429) 6.017 4.409 ( -3.027 -3.840 0.052) 4.890 4.645 ( -0.169 7.018 1.353) 7.149 4.683 ( -1.255 5.101 3.173) 6.137 4.832 ( 0.787 -3.363 -2.158) 4.073 4.853 ( 2.694 -4.927 -2.500) 6.147 4.931 ( 0.769 1.183 -1.086) 1.781 4.972 ( 0.066 -2.928 -2.750) 4.018 4.987 ( -0.707 3.033 -2.726) 4.139 5.049 ( 2.515 -3.318 -2.295) 4.754 5.334 ( -3.341 5.378 -7.657) 9.936 5.452 ( -2.388 -6.630 -10.036) 12.263 5.747 ( -0.480 1.310 -7.138) 7.273 5.764 ( 0.161 -0.443 -9.867) 9.878 6.469 ( 2.795 0.743 2.036) 3.537 6.487 ( 2.303 -0.969 2.914) 3.838 8.566 ( 0.895 2.247 1.256) 2.725 8.620 ( 1.137 -3.197 3.049) 4.562 10.413 ( 2.992 0.262 1.828) 3.516 10.420 ( 2.935 -0.420 1.769) 3.452 11.128 ( -0.058 0.977 -0.746) 1.230 11.147 ( 0.072 -0.976 -0.882) 1.318 11.406 ( -1.250 0.641 -0.385) 1.457 11.419 ( -1.040 -0.681 -0.954) 1.567 14.409 ( 0.107 0.120 -0.100) 0.189 14.417 ( 0.164 -0.694 0.043) 0.714 14.794 ( 0.370 1.852 1.488) 2.404 14.823 ( 1.024 -0.926 1.834) 2.295 14.865 ( 1.777 1.923 1.369) 2.954 14.905 ( 1.657 -1.901 1.404) 2.886 14.974 ( 2.435 1.906 0.637) 3.157 15.015 ( 1.817 -2.148 -0.843) 2.937 15.394 ( -3.630 1.124 -1.712) 4.168 15.414 ( -3.877 -0.783 -1.261) 4.151 16.812 ( -1.421 1.820 -0.723) 2.419 16.847 ( -0.944 -1.594 -0.473) 1.912 20.626 ( 8.654 0.523 8.228) 11.952 20.649 ( 9.956 -1.714 7.312) 12.470 21.842 ( 0.095 0.155 0.154) 0.238 21.845 ( 0.075 -0.098 0.159) 0.201 23.175 ( -0.243 0.527 0.223) 0.621 23.187 ( -0.085 -0.602 0.255) 0.659 28.274 ( 2.560 1.512 1.700) 3.425 28.312 ( 2.338 -2.182 2.241) 3.905 28.964 ( -0.065 1.074 0.200) 1.094 28.989 ( -0.029 -1.486 -0.053) 1.487 32.886 ( 3.911 4.725 -0.881) 6.196 32.955 ( 4.197 -1.729 -0.361) 4.553 33.206 ( 0.386 4.611 1.238) 4.790 33.302 ( -0.547 -4.529 4.832) 6.645 33.649 ( -5.624 2.003 0.447) 5.987 33.706 ( -4.283 -3.530 2.603) 6.130 34.068 ( -5.332 6.208 -9.323) 12.404 34.192 ( -4.623 -6.196 -10.384) 12.945 ======================= Grid point 161 (96/96) ======================= q-point: (-0.11 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 1.947 10.680 8.104) 13.547 1.619 ( 3.078 10.136 2.694) 10.930 1.714 ( -0.955 2.781 1.186) 3.170 1.844 ( -2.119 6.718 8.093) 10.730 1.913 ( -2.714 -6.029 2.180) 6.962 2.029 ( -2.027 -9.519 7.202) 12.108 2.305 ( -0.720 -3.784 -3.339) 5.097 2.336 ( -1.969 -3.788 -6.752) 7.989 2.434 ( -11.926 -0.738 6.845) 13.771 2.452 ( -4.478 -5.239 0.312) 6.899 2.565 ( 2.774 7.996 -10.940) 13.832 2.742 ( -1.070 -8.320 -10.364) 13.333 3.059 ( 0.984 2.588 6.459) 7.028 3.063 ( 3.220 1.831 6.026) 7.073 3.230 ( -0.493 5.389 -3.165) 6.269 3.257 ( 0.990 -0.386 2.972) 3.156 3.310 ( 2.988 -1.980 4.428) 5.697 3.362 ( -2.337 -1.769 1.528) 3.305 3.478 ( -1.608 5.451 4.534) 7.270 3.540 ( -0.360 0.854 -0.913) 1.301 3.550 ( 3.928 1.341 0.680) 4.206 3.637 ( 2.099 -1.284 3.791) 4.520 3.664 ( -0.350 -3.356 4.007) 5.238 3.716 ( -1.386 -3.600 3.068) 4.929 3.903 ( -1.966 2.000 -2.260) 3.602 3.916 ( 0.695 0.394 0.673) 1.045 3.979 ( -2.379 2.142 2.393) 3.997 4.029 ( -2.659 -2.191 1.389) 3.715 4.213 ( 0.404 1.584 7.429) 7.607 4.236 ( 1.537 -0.497 5.839) 6.058 4.331 ( 3.248 -0.387 -5.538) 6.432 4.368 ( 0.656 -4.342 -3.586) 5.670 4.651 ( -0.021 4.985 6.391) 8.106 4.671 ( -0.651 3.403 6.250) 7.146 4.849 ( 2.010 -0.397 -3.987) 4.482 4.865 ( 0.206 -2.000 -2.075) 2.889 4.928 ( -3.629 2.882 0.561) 4.668 4.958 ( -0.035 -0.471 3.854) 3.883 5.010 ( 3.891 2.797 -5.933) 7.627 5.107 ( 4.392 -5.739 -2.128) 7.533 5.210 ( -6.440 5.446 -7.343) 11.183 5.340 ( -5.671 -7.760 -9.522) 13.529 5.668 ( -4.690 1.545 -10.193) 11.326 5.694 ( -3.691 -0.775 -11.708) 12.300 6.530 ( 2.738 0.377 1.765) 3.280 6.546 ( 2.403 -1.078 2.231) 3.451 8.598 ( 1.966 2.458 1.595) 3.528 8.644 ( 0.351 -2.003 2.233) 3.020 10.473 ( 2.519 0.133 1.854) 3.131 10.478 ( 2.404 -0.328 1.709) 2.968 11.123 ( -0.171 0.927 -0.889) 1.295 11.140 ( -0.470 -0.773 -1.322) 1.601 11.385 ( -0.784 0.375 -0.068) 0.872 11.398 ( -0.813 -0.885 -0.873) 1.486 14.417 ( 0.703 0.083 0.154) 0.725 14.426 ( 0.668 -0.725 -0.029) 0.986 14.795 ( -0.375 1.393 0.922) 1.712 14.824 ( -0.799 -1.344 0.755) 1.736 14.892 ( 0.735 1.080 -0.705) 1.485 14.914 ( -0.311 -1.261 -1.320) 1.852 15.060 ( 4.998 1.293 2.842) 5.893 15.083 ( 4.297 -0.879 1.878) 4.771 15.324 ( -3.069 0.822 -0.883) 3.298 15.336 ( -3.693 -0.343 -0.727) 3.779 16.794 ( -0.228 1.441 0.056) 1.460 16.827 ( -1.022 -1.687 -0.231) 1.986 20.811 ( 7.290 0.843 8.642) 11.337 20.857 ( 8.903 -3.919 5.449) 11.149 21.844 ( 0.023 0.118 0.124) 0.173 21.846 ( -0.038 -0.058 0.137) 0.154 23.171 ( -0.168 0.567 0.269) 0.649 23.183 ( -0.378 -0.562 0.184) 0.701 28.341 ( 3.616 0.205 1.783) 4.037 28.363 ( 2.053 -1.894 2.496) 3.746 28.961 ( -0.218 0.865 0.098) 0.897 28.981 ( -0.799 -1.145 -0.079) 1.399 32.967 ( 4.945 5.446 -1.511) 7.509 33.019 ( 1.908 1.182 0.681) 2.346 33.211 ( 0.028 1.522 0.639) 1.651 33.265 ( -4.237 -2.920 4.174) 6.626 33.594 ( 0.262 3.924 -0.101) 3.934 33.692 ( 2.077 -5.639 1.461) 6.184 33.902 ( -9.200 6.974 -8.037) 14.067 34.041 ( -7.695 -6.883 -9.128) 13.781 =================== 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 3/26460 10.0 46.876 54.361 60.542 0.000 -1.170 0.000 3/26460 20.0 9.021 9.186 10.173 0.000 -0.515 0.000 3/26460 30.0 3.933 3.727 4.123 0.000 -0.324 0.000 3/26460 40.0 2.369 2.173 2.424 0.000 -0.223 0.000 3/26460 50.0 1.685 1.521 1.716 0.000 -0.166 0.000 3/26460 60.0 1.315 1.177 1.344 0.000 -0.131 0.000 3/26460 70.0 1.086 0.966 1.117 0.000 -0.107 0.000 3/26460 80.0 0.930 0.824 0.964 0.000 -0.090 0.000 3/26460 90.0 0.817 0.721 0.852 0.000 -0.077 0.000 3/26460 100.0 0.731 0.642 0.767 0.000 -0.067 0.000 3/26460 110.0 0.663 0.581 0.700 0.000 -0.059 0.000 3/26460 120.0 0.609 0.531 0.645 0.000 -0.052 0.000 3/26460 130.0 0.565 0.490 0.601 0.000 -0.047 0.000 3/26460 140.0 0.528 0.455 0.563 0.000 -0.042 0.000 3/26460 150.0 0.497 0.426 0.531 0.000 -0.038 0.000 3/26460 160.0 0.471 0.400 0.504 0.000 -0.034 0.000 3/26460 170.0 0.448 0.379 0.481 0.000 -0.031 0.000 3/26460 180.0 0.429 0.359 0.460 0.000 -0.029 0.000 3/26460 190.0 0.412 0.342 0.442 0.000 -0.026 0.000 3/26460 200.0 0.397 0.327 0.426 0.000 -0.024 0.000 3/26460 210.0 0.384 0.314 0.412 0.000 -0.022 0.000 3/26460 220.0 0.372 0.302 0.400 0.000 -0.020 0.000 3/26460 230.0 0.362 0.291 0.389 0.000 -0.019 0.000 3/26460 240.0 0.353 0.282 0.378 0.000 -0.018 0.000 3/26460 250.0 0.344 0.273 0.369 0.000 -0.016 0.000 3/26460 260.0 0.337 0.265 0.361 0.000 -0.015 0.000 3/26460 270.0 0.330 0.258 0.353 0.000 -0.015 0.000 3/26460 280.0 0.324 0.251 0.346 0.000 -0.014 0.000 3/26460 290.0 0.318 0.245 0.340 0.000 -0.013 0.000 3/26460 300.0 0.313 0.239 0.334 0.000 -0.012 0.000 3/26460 310.0 0.308 0.234 0.328 0.000 -0.012 0.000 3/26460 320.0 0.303 0.229 0.323 0.000 -0.011 0.000 3/26460 330.0 0.299 0.224 0.318 0.000 -0.011 0.000 3/26460 340.0 0.295 0.220 0.313 0.000 -0.011 0.000 3/26460 350.0 0.291 0.216 0.309 0.000 -0.010 0.000 3/26460 360.0 0.287 0.212 0.304 0.000 -0.010 0.000 3/26460 370.0 0.284 0.208 0.300 0.000 -0.010 0.000 3/26460 380.0 0.281 0.204 0.296 0.000 -0.009 0.000 3/26460 390.0 0.277 0.201 0.293 0.000 -0.009 0.000 3/26460 400.0 0.274 0.198 0.289 0.000 -0.009 0.000 3/26460 410.0 0.271 0.195 0.285 0.000 -0.009 0.000 3/26460 420.0 0.268 0.192 0.282 0.000 -0.008 0.000 3/26460 430.0 0.265 0.189 0.279 0.000 -0.008 0.000 3/26460 440.0 0.263 0.186 0.275 0.000 -0.008 0.000 3/26460 450.0 0.260 0.184 0.272 0.000 -0.008 0.000 3/26460 460.0 0.257 0.181 0.269 0.000 -0.008 0.000 3/26460 470.0 0.255 0.179 0.266 0.000 -0.008 0.000 3/26460 480.0 0.252 0.176 0.263 0.000 -0.008 0.000 3/26460 490.0 0.250 0.174 0.260 0.000 -0.007 0.000 3/26460 500.0 0.247 0.172 0.257 0.000 -0.007 0.000 3/26460 510.0 0.245 0.170 0.255 0.000 -0.007 0.000 3/26460 520.0 0.242 0.167 0.252 0.000 -0.007 0.000 3/26460 530.0 0.240 0.165 0.249 0.000 -0.007 0.000 3/26460 540.0 0.237 0.163 0.246 0.000 -0.007 0.000 3/26460 550.0 0.235 0.161 0.244 0.000 -0.007 0.000 3/26460 560.0 0.233 0.159 0.241 0.000 -0.007 0.000 3/26460 570.0 0.231 0.157 0.239 0.000 -0.007 0.000 3/26460 580.0 0.228 0.156 0.236 0.000 -0.007 0.000 3/26460 590.0 0.226 0.154 0.234 0.000 -0.007 0.000 3/26460 600.0 0.224 0.152 0.232 0.000 -0.006 0.000 3/26460 610.0 0.222 0.150 0.229 0.000 -0.006 0.000 3/26460 620.0 0.220 0.149 0.227 0.000 -0.006 0.000 3/26460 630.0 0.218 0.147 0.225 0.000 -0.006 0.000 3/26460 640.0 0.216 0.145 0.222 0.000 -0.006 0.000 3/26460 650.0 0.214 0.144 0.220 0.000 -0.006 0.000 3/26460 660.0 0.212 0.142 0.218 0.000 -0.006 0.000 3/26460 670.0 0.210 0.141 0.216 0.000 -0.006 0.000 3/26460 680.0 0.208 0.139 0.214 0.000 -0.006 0.000 3/26460 690.0 0.206 0.138 0.212 0.000 -0.006 0.000 3/26460 700.0 0.204 0.136 0.210 0.000 -0.006 0.000 3/26460 710.0 0.202 0.135 0.208 0.000 -0.006 0.000 3/26460 720.0 0.200 0.134 0.206 0.000 -0.006 0.000 3/26460 730.0 0.198 0.132 0.204 0.000 -0.006 0.000 3/26460 740.0 0.197 0.131 0.202 0.000 -0.006 0.000 3/26460 750.0 0.195 0.130 0.200 0.000 -0.005 0.000 3/26460 760.0 0.193 0.128 0.198 0.000 -0.005 0.000 3/26460 770.0 0.191 0.127 0.196 0.000 -0.005 0.000 3/26460 780.0 0.190 0.126 0.194 0.000 -0.005 0.000 3/26460 790.0 0.188 0.124 0.193 0.000 -0.005 0.000 3/26460 800.0 0.186 0.123 0.191 0.000 -0.005 0.000 3/26460 810.0 0.185 0.122 0.189 0.000 -0.005 0.000 3/26460 820.0 0.183 0.121 0.187 0.000 -0.005 0.000 3/26460 830.0 0.182 0.120 0.186 0.000 -0.005 0.000 3/26460 840.0 0.180 0.119 0.184 0.000 -0.005 0.000 3/26460 850.0 0.179 0.118 0.182 0.000 -0.005 0.000 3/26460 860.0 0.177 0.117 0.181 0.000 -0.005 0.000 3/26460 870.0 0.176 0.115 0.179 0.000 -0.005 0.000 3/26460 880.0 0.174 0.114 0.178 0.000 -0.005 0.000 3/26460 890.0 0.173 0.113 0.176 0.000 -0.005 0.000 3/26460 900.0 0.171 0.112 0.175 0.000 -0.005 0.000 3/26460 910.0 0.170 0.111 0.173 0.000 -0.005 0.000 3/26460 920.0 0.168 0.110 0.172 0.000 -0.005 0.000 3/26460 930.0 0.167 0.109 0.170 0.000 -0.005 0.000 3/26460 940.0 0.166 0.109 0.169 0.000 -0.005 0.000 3/26460 950.0 0.164 0.108 0.167 0.000 -0.005 0.000 3/26460 960.0 0.163 0.107 0.166 0.000 -0.005 0.000 3/26460 970.0 0.162 0.106 0.165 0.000 -0.004 0.000 3/26460 980.0 0.161 0.105 0.163 0.000 -0.004 0.000 3/26460 990.0 0.159 0.104 0.162 0.000 -0.004 0.000 3/26460 1000.0 0.158 0.103 0.161 0.000 -0.004 0.000 3/26460 Thermal conductivity related properties were written into "kappa-m957.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:22:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|