----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:58:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.955719573226212 0.000000000000000 0.000000000000000 b -2.977859786613106 5.157804448230115 0.000000000000000 c 0.000000000000000 0.000000000000000 11.547676680000000 Atomic positions (fractional): *1 Tm 0.66666666666667 0.33333333333333 0.76676186646423 168.934 *2 Tm 0.00000000000000 0.00000000000000 0.72433261075775 168.934 3 Tm 0.00000000000000 0.00000000000000 0.22433261075775 168.934 4 Tm 0.66666666666667 0.33333333333333 0.26676186646423 168.934 5 Tm 0.33333333333333 0.66666666666667 0.26676186646423 168.934 6 Tm 0.33333333333333 0.66666666666667 0.76676186646423 168.934 *7 Ga 0.33411481184710 0.33411481184710 0.49921847204000 69.723 8 Ga 0.66588518815290 0.66588518815290 0.99921847204000 69.723 9 Ga 0.00000000000000 0.66588518815290 0.49921847204000 69.723 10 Ga 0.33411481184710 0.00000000000000 0.99921847204000 69.723 11 Ga 0.00000000000000 0.33411481184710 0.99921847204000 69.723 12 Ga 0.66588518815290 0.00000000000000 0.49921847204000 69.723 *13 O 0.30490532945236 0.30490532945236 0.33508830842464 15.999 *14 O 0.36132757425141 0.36132757425141 0.66199486199749 15.999 15 O 0.63867242574859 0.63867242574859 0.16199486199749 15.999 16 O 0.69509467054764 0.69509467054764 0.83508830842464 15.999 *17 O 0.66666666666667 0.33333333333333 0.97796356263507 15.999 *18 O 0.00000000000000 0.00000000000000 0.52341340365720 15.999 19 O 0.00000000000000 0.00000000000000 0.02341340365720 15.999 20 O 0.66666666666667 0.33333333333333 0.47796356263507 15.999 21 O 0.00000000000000 0.69509467054764 0.33508830842464 15.999 22 O 0.00000000000000 0.63867242574859 0.66199486199749 15.999 23 O 0.30490532945236 0.00000000000000 0.83508830842464 15.999 24 O 0.00000000000000 0.36132757425141 0.16199486199749 15.999 25 O 0.00000000000000 0.30490532945236 0.83508830842464 15.999 26 O 0.36132757425141 0.00000000000000 0.16199486199749 15.999 27 O 0.33333333333333 0.66666666666667 0.47796356263507 15.999 28 O 0.33333333333333 0.66666666666667 0.97796356263507 15.999 29 O 0.63867242574859 0.00000000000000 0.66199486199749 15.999 30 O 0.69509467054764 0.00000000000000 0.33508830842464 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.955719573226212 0.000000000000000 0.000000000000000 b -2.977859786613106 5.157804448230115 0.000000000000000 c 0.000000000000000 0.000000000000000 11.547676680000000 Atomic positions (fractional): *1 Tm 0.66666666666667 0.33333333333333 0.76676186646423 168.934 > 1 *2 Tm 0.00000000000000 0.00000000000000 0.72433261075775 168.934 > 2 3 Tm 0.00000000000000 0.00000000000000 0.22433261075775 168.934 > 3 4 Tm 0.66666666666667 0.33333333333333 0.26676186646423 168.934 > 4 5 Tm 0.33333333333333 0.66666666666667 0.26676186646423 168.934 > 5 6 Tm 0.33333333333333 0.66666666666667 0.76676186646423 168.934 > 6 *7 Ga 0.33411481184710 0.33411481184710 0.49921847204000 69.723 > 7 8 Ga 0.66588518815290 0.66588518815290 0.99921847204000 69.723 > 8 9 Ga 0.00000000000000 0.66588518815290 0.49921847204000 69.723 > 9 10 Ga 0.33411481184710 0.00000000000000 0.99921847204000 69.723 > 10 11 Ga 0.00000000000000 0.33411481184710 0.99921847204000 69.723 > 11 12 Ga 0.66588518815290 0.00000000000000 0.49921847204000 69.723 > 12 *13 O 0.30490532945236 0.30490532945236 0.33508830842464 15.999 > 13 *14 O 0.36132757425141 0.36132757425141 0.66199486199749 15.999 > 14 15 O 0.63867242574859 0.63867242574859 0.16199486199749 15.999 > 15 16 O 0.69509467054764 0.69509467054764 0.83508830842464 15.999 > 16 *17 O 0.66666666666667 0.33333333333333 0.97796356263507 15.999 > 17 *18 O 0.00000000000000 0.00000000000000 0.52341340365720 15.999 > 18 19 O 0.00000000000000 0.00000000000000 0.02341340365720 15.999 > 19 20 O 0.66666666666667 0.33333333333333 0.47796356263507 15.999 > 20 21 O 0.00000000000000 0.69509467054764 0.33508830842464 15.999 > 21 22 O 0.00000000000000 0.63867242574859 0.66199486199749 15.999 > 22 23 O 0.30490532945236 0.00000000000000 0.83508830842464 15.999 > 23 24 O 0.00000000000000 0.36132757425141 0.16199486199749 15.999 > 24 25 O 0.00000000000000 0.30490532945236 0.83508830842464 15.999 > 25 26 O 0.36132757425141 0.00000000000000 0.16199486199749 15.999 > 26 27 O 0.33333333333333 0.66666666666667 0.47796356263507 15.999 > 27 28 O 0.33333333333333 0.66666666666667 0.97796356263507 15.999 > 28 29 O 0.63867242574859 0.00000000000000 0.66199486199749 15.999 > 29 30 O 0.69509467054764 0.00000000000000 0.33508830842464 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.911439146452423 0.000000000000000 0.000000000000000 b -5.955719573226212 10.315608896460230 0.000000000000000 c 0.000000000000000 0.000000000000000 11.547676680000000 Atomic positions (fractional): *1 Tm 0.33333333333333 0.16666666666667 0.76676186646423 168.934 > 1 2 Tm 0.83333333333333 0.16666666666667 0.76676186646423 168.934 > 1 3 Tm 0.33333333333333 0.66666666666667 0.76676186646423 168.934 > 1 4 Tm 0.83333333333333 0.66666666666667 0.76676186646423 168.934 > 1 *5 Tm 0.00000000000000 0.00000000000000 0.72433261075775 168.934 > 2 6 Tm 0.50000000000000 0.00000000000000 0.72433261075775 168.934 > 2 7 Tm 0.00000000000000 0.50000000000000 0.72433261075775 168.934 > 2 8 Tm 0.50000000000000 0.50000000000000 0.72433261075775 168.934 > 2 9 Tm 0.00000000000000 0.00000000000000 0.22433261075775 168.934 > 3 10 Tm 0.50000000000000 0.00000000000000 0.22433261075775 168.934 > 3 11 Tm 0.00000000000000 0.50000000000000 0.22433261075775 168.934 > 3 12 Tm 0.50000000000000 0.50000000000000 0.22433261075775 168.934 > 3 13 Tm 0.33333333333333 0.16666666666667 0.26676186646423 168.934 > 4 14 Tm 0.83333333333333 0.16666666666667 0.26676186646423 168.934 > 4 15 Tm 0.33333333333333 0.66666666666667 0.26676186646423 168.934 > 4 16 Tm 0.83333333333333 0.66666666666667 0.26676186646423 168.934 > 4 17 Tm 0.16666666666667 0.33333333333333 0.26676186646423 168.934 > 5 18 Tm 0.66666666666667 0.33333333333333 0.26676186646423 168.934 > 5 19 Tm 0.16666666666667 0.83333333333333 0.26676186646423 168.934 > 5 20 Tm 0.66666666666667 0.83333333333333 0.26676186646423 168.934 > 5 21 Tm 0.16666666666667 0.33333333333333 0.76676186646423 168.934 > 6 22 Tm 0.66666666666667 0.33333333333333 0.76676186646423 168.934 > 6 23 Tm 0.16666666666667 0.83333333333333 0.76676186646423 168.934 > 6 24 Tm 0.66666666666667 0.83333333333333 0.76676186646423 168.934 > 6 *25 Ga 0.16705740592355 0.16705740592355 0.49921847204000 69.723 > 7 26 Ga 0.66705740592355 0.16705740592355 0.49921847204000 69.723 > 7 27 Ga 0.16705740592355 0.66705740592355 0.49921847204000 69.723 > 7 28 Ga 0.66705740592355 0.66705740592355 0.49921847204000 69.723 > 7 29 Ga 0.33294259407645 0.33294259407645 0.99921847204000 69.723 > 8 30 Ga 0.83294259407645 0.33294259407645 0.99921847204000 69.723 > 8 31 Ga 0.33294259407645 0.83294259407645 0.99921847204000 69.723 > 8 32 Ga 0.83294259407645 0.83294259407645 0.99921847204000 69.723 > 8 33 Ga 0.00000000000000 0.33294259407645 0.49921847204000 69.723 > 9 34 Ga 0.50000000000000 0.33294259407645 0.49921847204000 69.723 > 9 35 Ga 0.00000000000000 0.83294259407645 0.49921847204000 69.723 > 9 36 Ga 0.50000000000000 0.83294259407645 0.49921847204000 69.723 > 9 37 Ga 0.16705740592355 0.00000000000000 0.99921847204000 69.723 > 10 38 Ga 0.66705740592355 0.00000000000000 0.99921847204000 69.723 > 10 39 Ga 0.16705740592355 0.50000000000000 0.99921847204000 69.723 > 10 40 Ga 0.66705740592355 0.50000000000000 0.99921847204000 69.723 > 10 41 Ga 0.00000000000000 0.16705740592355 0.99921847204000 69.723 > 11 42 Ga 0.50000000000000 0.16705740592355 0.99921847204000 69.723 > 11 43 Ga 0.00000000000000 0.66705740592355 0.99921847204000 69.723 > 11 44 Ga 0.50000000000000 0.66705740592355 0.99921847204000 69.723 > 11 45 Ga 0.33294259407645 0.00000000000000 0.49921847204000 69.723 > 12 46 Ga 0.83294259407645 0.00000000000000 0.49921847204000 69.723 > 12 47 Ga 0.33294259407645 0.50000000000000 0.49921847204000 69.723 > 12 48 Ga 0.83294259407645 0.50000000000000 0.49921847204000 69.723 > 12 *49 O 0.15245266472618 0.15245266472618 0.33508830842464 15.999 > 13 50 O 0.65245266472618 0.15245266472618 0.33508830842464 15.999 > 13 51 O 0.15245266472618 0.65245266472618 0.33508830842464 15.999 > 13 52 O 0.65245266472618 0.65245266472618 0.33508830842464 15.999 > 13 *53 O 0.18066378712571 0.18066378712571 0.66199486199749 15.999 > 14 54 O 0.68066378712571 0.18066378712571 0.66199486199749 15.999 > 14 55 O 0.18066378712571 0.68066378712571 0.66199486199749 15.999 > 14 56 O 0.68066378712571 0.68066378712571 0.66199486199749 15.999 > 14 57 O 0.31933621287429 0.31933621287429 0.16199486199749 15.999 > 15 58 O 0.81933621287429 0.31933621287429 0.16199486199749 15.999 > 15 59 O 0.31933621287429 0.81933621287429 0.16199486199749 15.999 > 15 60 O 0.81933621287429 0.81933621287429 0.16199486199749 15.999 > 15 61 O 0.34754733527382 0.34754733527382 0.83508830842464 15.999 > 16 62 O 0.84754733527382 0.34754733527382 0.83508830842464 15.999 > 16 63 O 0.34754733527382 0.84754733527382 0.83508830842464 15.999 > 16 64 O 0.84754733527382 0.84754733527382 0.83508830842464 15.999 > 16 *65 O 0.33333333333333 0.16666666666667 0.97796356263507 15.999 > 17 66 O 0.83333333333333 0.16666666666667 0.97796356263507 15.999 > 17 67 O 0.33333333333333 0.66666666666667 0.97796356263507 15.999 > 17 68 O 0.83333333333333 0.66666666666667 0.97796356263507 15.999 > 17 *69 O 0.00000000000000 0.00000000000000 0.52341340365720 15.999 > 18 70 O 0.50000000000000 0.00000000000000 0.52341340365720 15.999 > 18 71 O 0.00000000000000 0.50000000000000 0.52341340365720 15.999 > 18 72 O 0.50000000000000 0.50000000000000 0.52341340365720 15.999 > 18 73 O 0.00000000000000 0.00000000000000 0.02341340365720 15.999 > 19 74 O 0.50000000000000 0.00000000000000 0.02341340365720 15.999 > 19 75 O 0.00000000000000 0.50000000000000 0.02341340365720 15.999 > 19 76 O 0.50000000000000 0.50000000000000 0.02341340365720 15.999 > 19 77 O 0.33333333333333 0.16666666666667 0.47796356263507 15.999 > 20 78 O 0.83333333333333 0.16666666666667 0.47796356263507 15.999 > 20 79 O 0.33333333333333 0.66666666666667 0.47796356263507 15.999 > 20 80 O 0.83333333333333 0.66666666666667 0.47796356263507 15.999 > 20 81 O 0.00000000000000 0.34754733527382 0.33508830842464 15.999 > 21 82 O 0.50000000000000 0.34754733527382 0.33508830842464 15.999 > 21 83 O 0.00000000000000 0.84754733527382 0.33508830842464 15.999 > 21 84 O 0.50000000000000 0.84754733527382 0.33508830842464 15.999 > 21 85 O 0.00000000000000 0.31933621287429 0.66199486199749 15.999 > 22 86 O 0.50000000000000 0.31933621287429 0.66199486199749 15.999 > 22 87 O 0.00000000000000 0.81933621287429 0.66199486199749 15.999 > 22 88 O 0.50000000000000 0.81933621287429 0.66199486199749 15.999 > 22 89 O 0.15245266472618 0.00000000000000 0.83508830842464 15.999 > 23 90 O 0.65245266472618 0.00000000000000 0.83508830842464 15.999 > 23 91 O 0.15245266472618 0.50000000000000 0.83508830842464 15.999 > 23 92 O 0.65245266472618 0.50000000000000 0.83508830842464 15.999 > 23 93 O 0.00000000000000 0.18066378712571 0.16199486199749 15.999 > 24 94 O 0.50000000000000 0.18066378712571 0.16199486199749 15.999 > 24 95 O 0.00000000000000 0.68066378712571 0.16199486199749 15.999 > 24 96 O 0.50000000000000 0.68066378712571 0.16199486199749 15.999 > 24 97 O 0.00000000000000 0.15245266472618 0.83508830842464 15.999 > 25 98 O 0.50000000000000 0.15245266472618 0.83508830842464 15.999 > 25 99 O 0.00000000000000 0.65245266472618 0.83508830842464 15.999 > 25 100 O 0.50000000000000 0.65245266472618 0.83508830842464 15.999 > 25 101 O 0.18066378712571 0.00000000000000 0.16199486199749 15.999 > 26 102 O 0.68066378712571 0.00000000000000 0.16199486199749 15.999 > 26 103 O 0.18066378712571 0.50000000000000 0.16199486199749 15.999 > 26 104 O 0.68066378712571 0.50000000000000 0.16199486199749 15.999 > 26 105 O 0.16666666666667 0.33333333333333 0.47796356263507 15.999 > 27 106 O 0.66666666666667 0.33333333333333 0.47796356263507 15.999 > 27 107 O 0.16666666666667 0.83333333333333 0.47796356263507 15.999 > 27 108 O 0.66666666666667 0.83333333333333 0.47796356263507 15.999 > 27 109 O 0.16666666666667 0.33333333333333 0.97796356263507 15.999 > 28 110 O 0.66666666666667 0.33333333333333 0.97796356263507 15.999 > 28 111 O 0.16666666666667 0.83333333333333 0.97796356263507 15.999 > 28 112 O 0.66666666666667 0.83333333333333 0.97796356263507 15.999 > 28 113 O 0.31933621287429 0.00000000000000 0.66199486199749 15.999 > 29 114 O 0.81933621287429 0.00000000000000 0.66199486199749 15.999 > 29 115 O 0.31933621287429 0.50000000000000 0.66199486199749 15.999 > 29 116 O 0.81933621287429 0.50000000000000 0.66199486199749 15.999 > 29 117 O 0.34754733527382 0.00000000000000 0.33508830842464 15.999 > 30 118 O 0.84754733527382 0.00000000000000 0.33508830842464 15.999 > 30 119 O 0.34754733527382 0.50000000000000 0.33508830842464 15.999 > 30 120 O 0.84754733527382 0.50000000000000 0.33508830842464 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1953831 -0.0000000 0.0000000 0.0000000 4.1953831 0.0000000 0.0000000 0.0000000 4.2264120 -------------------------- Born effective charges -------------------------- 1 Tm 3.8611894 -0.1103913 -0.0000000 0.1103913 3.8611894 0.0000000 0.0000000 0.0000000 3.3759972 2 Tm 3.7821287 -0.0000000 -0.0000000 0.0000000 3.7821287 0.0000000 0.0000000 0.0000000 3.4433917 3 Tm 3.7821287 -0.0000000 -0.0000000 0.0000000 3.7821287 0.0000000 0.0000000 0.0000000 3.4433917 4 Tm 3.8611894 0.1103913 -0.0000000 -0.1103913 3.8611894 0.0000000 0.0000000 0.0000000 3.3759972 5 Tm 3.8611894 -0.1103913 -0.0000000 0.1103913 3.8611894 0.0000000 0.0000000 0.0000000 3.3759972 6 Tm 3.8611894 0.1103913 -0.0000000 -0.1103913 3.8611894 0.0000000 0.0000000 0.0000000 3.3759972 7 Ga 2.8632785 -0.0032835 -0.0841240 -0.0032835 2.8594870 -0.1457071 -0.0333244 -0.0577195 3.4330647 8 Ga 2.8632785 -0.0032835 0.0841240 -0.0032835 2.8594870 0.1457071 0.0333244 0.0577195 3.4330647 9 Ga 2.8632785 0.0032835 -0.0841240 0.0032835 2.8594870 0.1457071 -0.0333244 0.0577195 3.4330647 10 Ga 2.8575913 -0.0000000 -0.1682480 0.0000000 2.8651743 0.0000000 -0.0666487 0.0000000 3.4330647 11 Ga 2.8632785 0.0032835 0.0841240 0.0032835 2.8594870 -0.1457071 0.0333244 -0.0577195 3.4330647 12 Ga 2.8575913 -0.0000000 0.1682480 0.0000000 2.8651743 0.0000000 0.0666487 -0.0000000 3.4330647 13 O -2.2975803 0.0272472 -0.0960245 0.0272472 -2.2661180 -0.1663193 -0.0668788 -0.1158375 -2.3697613 14 O -2.1898805 -0.0074698 -0.0891108 -0.0074698 -2.1985058 -0.1543444 -0.0543803 -0.0941895 -2.4861062 15 O -2.1898805 -0.0074698 0.0891108 -0.0074698 -2.1985058 0.1543444 0.0543803 0.0941895 -2.4861062 16 O -2.2975803 0.0272472 0.0960245 0.0272472 -2.2661180 0.1663193 0.0668788 0.1158375 -2.3697613 17 O -2.2234992 0.0048624 -0.0000000 -0.0048624 -2.2234992 0.0000000 0.0000000 0.0000000 -1.9537560 18 O -2.2135304 0.0000000 -0.0000000 0.0000000 -2.2135304 0.0000000 0.0000000 0.0000000 -2.0194658 19 O -2.2135304 0.0000000 -0.0000000 0.0000000 -2.2135304 0.0000000 0.0000000 0.0000000 -2.0194658 20 O -2.2234992 -0.0048624 -0.0000000 0.0048624 -2.2234992 0.0000000 0.0000000 0.0000000 -1.9537560 21 O -2.2975803 -0.0272472 -0.0960245 -0.0272472 -2.2661180 0.1663193 -0.0668788 0.1158375 -2.3697613 22 O -2.1898805 0.0074698 -0.0891108 0.0074698 -2.1985058 0.1543444 -0.0543803 0.0941895 -2.4861062 23 O -2.2503869 0.0000000 -0.1920489 0.0000000 -2.3133115 0.0000000 -0.1337577 0.0000000 -2.3697613 24 O -2.1898805 0.0074698 0.0891108 0.0074698 -2.1985058 -0.1543444 0.0543803 -0.0941895 -2.4861062 25 O -2.2975803 -0.0272472 0.0960245 -0.0272472 -2.2661180 -0.1663193 0.0668788 -0.1158375 -2.3697613 26 O -2.2028185 0.0000000 -0.1782215 0.0000000 -2.1855678 0.0000000 -0.1087606 0.0000000 -2.4861062 27 O -2.2234992 0.0048624 -0.0000000 -0.0048624 -2.2234992 0.0000000 0.0000000 0.0000000 -1.9537560 28 O -2.2234992 -0.0048624 -0.0000000 0.0048624 -2.2234992 0.0000000 0.0000000 0.0000000 -1.9537560 29 O -2.2028185 0.0000000 0.1782215 0.0000000 -2.1855678 0.0000000 0.1087606 -0.0000000 -2.4861062 30 O -2.2503869 0.0000000 0.1920489 0.0000000 -2.3133115 0.0000000 0.1337577 -0.0000000 -2.3697613 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 810 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 153 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 9 --- Block_size: 570 Use submatrix version of eigh solver. (1) Block: 570 / 570 (2) Block: 250 / 570 (2) 244 eigenvectors found. (2) Block: 500 / 570 (2) 244 eigenvectors found. (2) Block: 570 / 570 (2) 66 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 9 --- Block_size: 214 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (214, 207), data: True |-- (570, 564), data: False |-- (570, 564), data: False |-- (570, 10), data: (570, 16) @ (16, 10) |-- (70, 66), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 7), data: (660, 19) @ (19, 7) |-- (160, 153), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 320 - Time: 2.023 Solver_block: 200 / 320 - Time: 2.009 Solver_block: 300 / 320 - Time: 2.006 Solver_block: 320 / 320 - Time: 0.476 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.550 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1450 Number of blocks in projector: 810 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 9 --- Eigsh_solver_block: 1 / 9 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 153 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 9 --- Block_size: 570 Use submatrix version of eigh solver. (1) Block: 570 / 570 (2) Block: 250 / 570 (2) 244 eigenvectors found. (2) Block: 500 / 570 (2) 244 eigenvectors found. (2) Block: 570 / 570 (2) 66 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 9 --- Block_size: 214 Use standard eigh solver. --- Eigsh_solver_block: 4 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 5 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 6 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 7 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 8 / 9 --- Block_size: 1 Use standard eigh solver. --- Eigsh_solver_block: 9 / 9 --- Block_size: 1 Use standard eigh solver. Tree of FC basis block matrices: - (1450, 1425), data: False |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (1, 1), data: True |-- (214, 207), data: True |-- (570, 564), data: False |-- (570, 564), data: False |-- (570, 10), data: (570, 16) @ (16, 10) |-- (70, 66), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 7), data: (660, 19) @ (19, 7) |-- (160, 153), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 2026-01-09 00:58:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:58:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.955719573226212 0.000000000000000 0.000000000000000 b -2.977859786613106 5.157804448230115 0.000000000000000 c 0.000000000000000 0.000000000000000 11.547676680000000 Atomic positions (fractional): 1 Tm 0.66666666666667 0.33333333333333 0.76676186646423 168.934 2 Tm 0.00000000000000 0.00000000000000 0.72433261075775 168.934 3 Tm 0.00000000000000 0.00000000000000 0.22433261075775 168.934 4 Tm 0.66666666666667 0.33333333333333 0.26676186646423 168.934 5 Tm 0.33333333333333 0.66666666666667 0.26676186646423 168.934 6 Tm 0.33333333333333 0.66666666666667 0.76676186646423 168.934 7 Ga 0.33411481184710 0.33411481184710 0.49921847204000 69.723 8 Ga 0.66588518815290 0.66588518815290 0.99921847204000 69.723 9 Ga 0.00000000000000 0.66588518815290 0.49921847204000 69.723 10 Ga 0.33411481184710 0.00000000000000 0.99921847204000 69.723 11 Ga 0.00000000000000 0.33411481184710 0.99921847204000 69.723 12 Ga 0.66588518815290 0.00000000000000 0.49921847204000 69.723 13 O 0.30490532945236 0.30490532945236 0.33508830842464 15.999 14 O 0.36132757425141 0.36132757425141 0.66199486199749 15.999 15 O 0.63867242574859 0.63867242574859 0.16199486199749 15.999 16 O 0.69509467054764 0.69509467054764 0.83508830842464 15.999 17 O 0.66666666666667 0.33333333333333 0.97796356263507 15.999 18 O 0.00000000000000 0.00000000000000 0.52341340365720 15.999 19 O 0.00000000000000 0.00000000000000 0.02341340365720 15.999 20 O 0.66666666666667 0.33333333333333 0.47796356263507 15.999 21 O 0.00000000000000 0.69509467054764 0.33508830842464 15.999 22 O 0.00000000000000 0.63867242574859 0.66199486199749 15.999 23 O 0.30490532945236 0.00000000000000 0.83508830842464 15.999 24 O 0.00000000000000 0.36132757425141 0.16199486199749 15.999 25 O 0.00000000000000 0.30490532945236 0.83508830842464 15.999 26 O 0.36132757425141 0.00000000000000 0.16199486199749 15.999 27 O 0.33333333333333 0.66666666666667 0.47796356263507 15.999 28 O 0.33333333333333 0.66666666666667 0.97796356263507 15.999 29 O 0.63867242574859 0.00000000000000 0.66199486199749 15.999 30 O 0.69509467054764 0.00000000000000 0.33508830842464 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.911439146452423 0.000000000000000 0.000000000000000 b -5.955719573226212 10.315608896460230 0.000000000000000 c 0.000000000000000 0.000000000000000 11.547676680000000 Atomic positions (fractional): 1 Tm 0.33333333333333 0.16666666666667 0.76676186646423 168.934 > 1 2 Tm 0.83333333333333 0.16666666666667 0.76676186646423 168.934 > 1 3 Tm 0.33333333333333 0.66666666666667 0.76676186646423 168.934 > 1 4 Tm 0.83333333333333 0.66666666666667 0.76676186646423 168.934 > 1 5 Tm 0.00000000000000 0.00000000000000 0.72433261075775 168.934 > 5 6 Tm 0.50000000000000 0.00000000000000 0.72433261075775 168.934 > 5 7 Tm 0.00000000000000 0.50000000000000 0.72433261075775 168.934 > 5 8 Tm 0.50000000000000 0.50000000000000 0.72433261075775 168.934 > 5 9 Tm 0.00000000000000 0.00000000000000 0.22433261075775 168.934 > 9 10 Tm 0.50000000000000 0.00000000000000 0.22433261075775 168.934 > 9 11 Tm 0.00000000000000 0.50000000000000 0.22433261075775 168.934 > 9 12 Tm 0.50000000000000 0.50000000000000 0.22433261075775 168.934 > 9 13 Tm 0.33333333333333 0.16666666666667 0.26676186646423 168.934 > 13 14 Tm 0.83333333333333 0.16666666666667 0.26676186646423 168.934 > 13 15 Tm 0.33333333333333 0.66666666666667 0.26676186646423 168.934 > 13 16 Tm 0.83333333333333 0.66666666666667 0.26676186646423 168.934 > 13 17 Tm 0.16666666666667 0.33333333333333 0.26676186646423 168.934 > 17 18 Tm 0.66666666666667 0.33333333333333 0.26676186646423 168.934 > 17 19 Tm 0.16666666666667 0.83333333333333 0.26676186646423 168.934 > 17 20 Tm 0.66666666666667 0.83333333333333 0.26676186646423 168.934 > 17 21 Tm 0.16666666666667 0.33333333333333 0.76676186646423 168.934 > 21 22 Tm 0.66666666666667 0.33333333333333 0.76676186646423 168.934 > 21 23 Tm 0.16666666666667 0.83333333333333 0.76676186646423 168.934 > 21 24 Tm 0.66666666666667 0.83333333333333 0.76676186646423 168.934 > 21 25 Ga 0.16705740592355 0.16705740592355 0.49921847204000 69.723 > 25 26 Ga 0.66705740592355 0.16705740592355 0.49921847204000 69.723 > 25 27 Ga 0.16705740592355 0.66705740592355 0.49921847204000 69.723 > 25 28 Ga 0.66705740592355 0.66705740592355 0.49921847204000 69.723 > 25 29 Ga 0.33294259407645 0.33294259407645 0.99921847204000 69.723 > 29 30 Ga 0.83294259407645 0.33294259407645 0.99921847204000 69.723 > 29 31 Ga 0.33294259407645 0.83294259407645 0.99921847204000 69.723 > 29 32 Ga 0.83294259407645 0.83294259407645 0.99921847204000 69.723 > 29 33 Ga 0.00000000000000 0.33294259407645 0.49921847204000 69.723 > 33 34 Ga 0.50000000000000 0.33294259407645 0.49921847204000 69.723 > 33 35 Ga 0.00000000000000 0.83294259407645 0.49921847204000 69.723 > 33 36 Ga 0.50000000000000 0.83294259407645 0.49921847204000 69.723 > 33 37 Ga 0.16705740592355 0.00000000000000 0.99921847204000 69.723 > 37 38 Ga 0.66705740592355 0.00000000000000 0.99921847204000 69.723 > 37 39 Ga 0.16705740592355 0.50000000000000 0.99921847204000 69.723 > 37 40 Ga 0.66705740592355 0.50000000000000 0.99921847204000 69.723 > 37 41 Ga 0.00000000000000 0.16705740592355 0.99921847204000 69.723 > 41 42 Ga 0.50000000000000 0.16705740592355 0.99921847204000 69.723 > 41 43 Ga 0.00000000000000 0.66705740592355 0.99921847204000 69.723 > 41 44 Ga 0.50000000000000 0.66705740592355 0.99921847204000 69.723 > 41 45 Ga 0.33294259407645 0.00000000000000 0.49921847204000 69.723 > 45 46 Ga 0.83294259407645 0.00000000000000 0.49921847204000 69.723 > 45 47 Ga 0.33294259407645 0.50000000000000 0.49921847204000 69.723 > 45 48 Ga 0.83294259407645 0.50000000000000 0.49921847204000 69.723 > 45 49 O 0.15245266472618 0.15245266472618 0.33508830842464 15.999 > 49 50 O 0.65245266472618 0.15245266472618 0.33508830842464 15.999 > 49 51 O 0.15245266472618 0.65245266472618 0.33508830842464 15.999 > 49 52 O 0.65245266472618 0.65245266472618 0.33508830842464 15.999 > 49 53 O 0.18066378712571 0.18066378712571 0.66199486199749 15.999 > 53 54 O 0.68066378712571 0.18066378712571 0.66199486199749 15.999 > 53 55 O 0.18066378712571 0.68066378712571 0.66199486199749 15.999 > 53 56 O 0.68066378712571 0.68066378712571 0.66199486199749 15.999 > 53 57 O 0.31933621287429 0.31933621287429 0.16199486199749 15.999 > 57 58 O 0.81933621287429 0.31933621287429 0.16199486199749 15.999 > 57 59 O 0.31933621287429 0.81933621287429 0.16199486199749 15.999 > 57 60 O 0.81933621287429 0.81933621287429 0.16199486199749 15.999 > 57 61 O 0.34754733527382 0.34754733527382 0.83508830842464 15.999 > 61 62 O 0.84754733527382 0.34754733527382 0.83508830842464 15.999 > 61 63 O 0.34754733527382 0.84754733527382 0.83508830842464 15.999 > 61 64 O 0.84754733527382 0.84754733527382 0.83508830842464 15.999 > 61 65 O 0.33333333333333 0.16666666666667 0.97796356263507 15.999 > 65 66 O 0.83333333333333 0.16666666666667 0.97796356263507 15.999 > 65 67 O 0.33333333333333 0.66666666666667 0.97796356263507 15.999 > 65 68 O 0.83333333333333 0.66666666666667 0.97796356263507 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.52341340365720 15.999 > 69 70 O 0.50000000000000 0.00000000000000 0.52341340365720 15.999 > 69 71 O 0.00000000000000 0.50000000000000 0.52341340365720 15.999 > 69 72 O 0.50000000000000 0.50000000000000 0.52341340365720 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.02341340365720 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.02341340365720 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.02341340365720 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.02341340365720 15.999 > 73 77 O 0.33333333333333 0.16666666666667 0.47796356263507 15.999 > 77 78 O 0.83333333333333 0.16666666666667 0.47796356263507 15.999 > 77 79 O 0.33333333333333 0.66666666666667 0.47796356263507 15.999 > 77 80 O 0.83333333333333 0.66666666666667 0.47796356263507 15.999 > 77 81 O 0.00000000000000 0.34754733527382 0.33508830842464 15.999 > 81 82 O 0.50000000000000 0.34754733527382 0.33508830842464 15.999 > 81 83 O 0.00000000000000 0.84754733527382 0.33508830842464 15.999 > 81 84 O 0.50000000000000 0.84754733527382 0.33508830842464 15.999 > 81 85 O 0.00000000000000 0.31933621287429 0.66199486199749 15.999 > 85 86 O 0.50000000000000 0.31933621287429 0.66199486199749 15.999 > 85 87 O 0.00000000000000 0.81933621287429 0.66199486199749 15.999 > 85 88 O 0.50000000000000 0.81933621287429 0.66199486199749 15.999 > 85 89 O 0.15245266472618 0.00000000000000 0.83508830842464 15.999 > 89 90 O 0.65245266472618 0.00000000000000 0.83508830842464 15.999 > 89 91 O 0.15245266472618 0.50000000000000 0.83508830842464 15.999 > 89 92 O 0.65245266472618 0.50000000000000 0.83508830842464 15.999 > 89 93 O 0.00000000000000 0.18066378712571 0.16199486199749 15.999 > 93 94 O 0.50000000000000 0.18066378712571 0.16199486199749 15.999 > 93 95 O 0.00000000000000 0.68066378712571 0.16199486199749 15.999 > 93 96 O 0.50000000000000 0.68066378712571 0.16199486199749 15.999 > 93 97 O 0.00000000000000 0.15245266472618 0.83508830842464 15.999 > 97 98 O 0.50000000000000 0.15245266472618 0.83508830842464 15.999 > 97 99 O 0.00000000000000 0.65245266472618 0.83508830842464 15.999 > 97 100 O 0.50000000000000 0.65245266472618 0.83508830842464 15.999 > 97 101 O 0.18066378712571 0.00000000000000 0.16199486199749 15.999 > 101 102 O 0.68066378712571 0.00000000000000 0.16199486199749 15.999 > 101 103 O 0.18066378712571 0.50000000000000 0.16199486199749 15.999 > 101 104 O 0.68066378712571 0.50000000000000 0.16199486199749 15.999 > 101 105 O 0.16666666666667 0.33333333333333 0.47796356263507 15.999 > 105 106 O 0.66666666666667 0.33333333333333 0.47796356263507 15.999 > 105 107 O 0.16666666666667 0.83333333333333 0.47796356263507 15.999 > 105 108 O 0.66666666666667 0.83333333333333 0.47796356263507 15.999 > 105 109 O 0.16666666666667 0.33333333333333 0.97796356263507 15.999 > 109 110 O 0.66666666666667 0.33333333333333 0.97796356263507 15.999 > 109 111 O 0.16666666666667 0.83333333333333 0.97796356263507 15.999 > 109 112 O 0.66666666666667 0.83333333333333 0.97796356263507 15.999 > 109 113 O 0.31933621287429 0.00000000000000 0.66199486199749 15.999 > 113 114 O 0.81933621287429 0.00000000000000 0.66199486199749 15.999 > 113 115 O 0.31933621287429 0.50000000000000 0.66199486199749 15.999 > 113 116 O 0.81933621287429 0.50000000000000 0.66199486199749 15.999 > 113 117 O 0.34754733527382 0.00000000000000 0.33508830842464 15.999 > 117 118 O 0.84754733527382 0.00000000000000 0.33508830842464 15.999 > 117 119 O 0.34754733527382 0.50000000000000 0.33508830842464 15.999 > 117 120 O 0.84754733527382 0.50000000000000 0.33508830842464 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1953831 -0.0000000 0.0000000 0.0000000 4.1953831 0.0000000 0.0000000 0.0000000 4.2264120 -------------------------- Born effective charges -------------------------- 1 Tm 3.8611894 -0.1103913 -0.0000000 0.1103913 3.8611894 0.0000000 0.0000000 0.0000000 3.3759972 2 Tm 3.7821287 -0.0000000 -0.0000000 0.0000000 3.7821287 0.0000000 0.0000000 0.0000000 3.4433917 3 Tm 3.7821287 -0.0000000 -0.0000000 0.0000000 3.7821287 0.0000000 0.0000000 0.0000000 3.4433917 4 Tm 3.8611894 0.1103913 -0.0000000 -0.1103913 3.8611894 0.0000000 0.0000000 0.0000000 3.3759972 5 Tm 3.8611894 -0.1103913 -0.0000000 0.1103913 3.8611894 0.0000000 0.0000000 0.0000000 3.3759972 6 Tm 3.8611894 0.1103913 -0.0000000 -0.1103913 3.8611894 0.0000000 0.0000000 0.0000000 3.3759972 7 Ga 2.8632785 -0.0032835 -0.0841240 -0.0032835 2.8594870 -0.1457071 -0.0333244 -0.0577195 3.4330647 8 Ga 2.8632785 -0.0032835 0.0841240 -0.0032835 2.8594870 0.1457071 0.0333244 0.0577195 3.4330647 9 Ga 2.8632785 0.0032835 -0.0841240 0.0032835 2.8594870 0.1457071 -0.0333244 0.0577195 3.4330647 10 Ga 2.8575913 -0.0000000 -0.1682480 0.0000000 2.8651743 0.0000000 -0.0666487 0.0000000 3.4330647 11 Ga 2.8632785 0.0032835 0.0841240 0.0032835 2.8594870 -0.1457071 0.0333244 -0.0577195 3.4330647 12 Ga 2.8575913 -0.0000000 0.1682480 0.0000000 2.8651743 0.0000000 0.0666487 -0.0000000 3.4330647 13 O -2.2975803 0.0272472 -0.0960245 0.0272472 -2.2661180 -0.1663193 -0.0668788 -0.1158375 -2.3697613 14 O -2.1898805 -0.0074698 -0.0891108 -0.0074698 -2.1985058 -0.1543444 -0.0543803 -0.0941895 -2.4861062 15 O -2.1898805 -0.0074698 0.0891108 -0.0074698 -2.1985058 0.1543444 0.0543803 0.0941895 -2.4861062 16 O -2.2975803 0.0272472 0.0960245 0.0272472 -2.2661180 0.1663193 0.0668788 0.1158375 -2.3697613 17 O -2.2234992 0.0048624 -0.0000000 -0.0048624 -2.2234992 0.0000000 0.0000000 0.0000000 -1.9537560 18 O -2.2135304 0.0000000 -0.0000000 0.0000000 -2.2135304 0.0000000 0.0000000 0.0000000 -2.0194658 19 O -2.2135304 0.0000000 -0.0000000 0.0000000 -2.2135304 0.0000000 0.0000000 0.0000000 -2.0194658 20 O -2.2234992 -0.0048624 -0.0000000 0.0048624 -2.2234992 0.0000000 0.0000000 0.0000000 -1.9537560 21 O -2.2975803 -0.0272472 -0.0960245 -0.0272472 -2.2661180 0.1663193 -0.0668788 0.1158375 -2.3697613 22 O -2.1898805 0.0074698 -0.0891108 0.0074698 -2.1985058 0.1543444 -0.0543803 0.0941895 -2.4861062 23 O -2.2503869 0.0000000 -0.1920489 0.0000000 -2.3133115 0.0000000 -0.1337577 0.0000000 -2.3697613 24 O -2.1898805 0.0074698 0.0891108 0.0074698 -2.1985058 -0.1543444 0.0543803 -0.0941895 -2.4861062 25 O -2.2975803 -0.0272472 0.0960245 -0.0272472 -2.2661180 -0.1663193 0.0668788 -0.1158375 -2.3697613 26 O -2.2028185 0.0000000 -0.1782215 0.0000000 -2.1855678 0.0000000 -0.1087606 0.0000000 -2.4861062 27 O -2.2234992 0.0048624 -0.0000000 -0.0048624 -2.2234992 0.0000000 0.0000000 0.0000000 -1.9537560 28 O -2.2234992 -0.0048624 -0.0000000 0.0048624 -2.2234992 0.0000000 0.0000000 0.0000000 -1.9537560 29 O -2.2028185 0.0000000 0.1782215 0.0000000 -2.1855678 0.0000000 0.1087606 -0.0000000 -2.4861062 30 O -2.2503869 0.0000000 0.1920489 0.0000000 -2.3133115 0.0000000 0.1337577 -0.0000000 -2.3697613 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (yx) 0.00000004 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:59:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:59:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3cm (185) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.955719573226212 0.000000000000000 0.000000000000000 b -2.977859786613106 5.157804448230115 0.000000000000000 c 0.000000000000000 0.000000000000000 11.547676680000000 Atomic positions (fractional): 1 Tm 0.66666666666667 0.33333333333333 0.76676186646423 168.934 2 Tm 0.00000000000000 0.00000000000000 0.72433261075775 168.934 3 Tm 0.00000000000000 0.00000000000000 0.22433261075775 168.934 4 Tm 0.66666666666667 0.33333333333333 0.26676186646423 168.934 5 Tm 0.33333333333333 0.66666666666667 0.26676186646423 168.934 6 Tm 0.33333333333333 0.66666666666667 0.76676186646423 168.934 7 Ga 0.33411481184710 0.33411481184710 0.49921847204000 69.723 8 Ga 0.66588518815290 0.66588518815290 0.99921847204000 69.723 9 Ga 0.00000000000000 0.66588518815290 0.49921847204000 69.723 10 Ga 0.33411481184710 0.00000000000000 0.99921847204000 69.723 11 Ga 0.00000000000000 0.33411481184710 0.99921847204000 69.723 12 Ga 0.66588518815290 0.00000000000000 0.49921847204000 69.723 13 O 0.30490532945236 0.30490532945236 0.33508830842464 15.999 14 O 0.36132757425141 0.36132757425141 0.66199486199749 15.999 15 O 0.63867242574859 0.63867242574859 0.16199486199749 15.999 16 O 0.69509467054764 0.69509467054764 0.83508830842464 15.999 17 O 0.66666666666667 0.33333333333333 0.97796356263507 15.999 18 O 0.00000000000000 0.00000000000000 0.52341340365720 15.999 19 O 0.00000000000000 0.00000000000000 0.02341340365720 15.999 20 O 0.66666666666667 0.33333333333333 0.47796356263507 15.999 21 O 0.00000000000000 0.69509467054764 0.33508830842464 15.999 22 O 0.00000000000000 0.63867242574859 0.66199486199749 15.999 23 O 0.30490532945236 0.00000000000000 0.83508830842464 15.999 24 O 0.00000000000000 0.36132757425141 0.16199486199749 15.999 25 O 0.00000000000000 0.30490532945236 0.83508830842464 15.999 26 O 0.36132757425141 0.00000000000000 0.16199486199749 15.999 27 O 0.33333333333333 0.66666666666667 0.47796356263507 15.999 28 O 0.33333333333333 0.66666666666667 0.97796356263507 15.999 29 O 0.63867242574859 0.00000000000000 0.66199486199749 15.999 30 O 0.69509467054764 0.00000000000000 0.33508830842464 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.911439146452423 0.000000000000000 0.000000000000000 b -5.955719573226212 10.315608896460230 0.000000000000000 c 0.000000000000000 0.000000000000000 11.547676680000000 Atomic positions (fractional): 1 Tm 0.33333333333333 0.16666666666667 0.76676186646423 168.934 > 1 2 Tm 0.83333333333333 0.16666666666667 0.76676186646423 168.934 > 1 3 Tm 0.33333333333333 0.66666666666667 0.76676186646423 168.934 > 1 4 Tm 0.83333333333333 0.66666666666667 0.76676186646423 168.934 > 1 5 Tm 0.00000000000000 0.00000000000000 0.72433261075775 168.934 > 5 6 Tm 0.50000000000000 0.00000000000000 0.72433261075775 168.934 > 5 7 Tm 0.00000000000000 0.50000000000000 0.72433261075775 168.934 > 5 8 Tm 0.50000000000000 0.50000000000000 0.72433261075775 168.934 > 5 9 Tm 0.00000000000000 0.00000000000000 0.22433261075775 168.934 > 9 10 Tm 0.50000000000000 0.00000000000000 0.22433261075775 168.934 > 9 11 Tm 0.00000000000000 0.50000000000000 0.22433261075775 168.934 > 9 12 Tm 0.50000000000000 0.50000000000000 0.22433261075775 168.934 > 9 13 Tm 0.33333333333333 0.16666666666667 0.26676186646423 168.934 > 13 14 Tm 0.83333333333333 0.16666666666667 0.26676186646423 168.934 > 13 15 Tm 0.33333333333333 0.66666666666667 0.26676186646423 168.934 > 13 16 Tm 0.83333333333333 0.66666666666667 0.26676186646423 168.934 > 13 17 Tm 0.16666666666667 0.33333333333333 0.26676186646423 168.934 > 17 18 Tm 0.66666666666667 0.33333333333333 0.26676186646423 168.934 > 17 19 Tm 0.16666666666667 0.83333333333333 0.26676186646423 168.934 > 17 20 Tm 0.66666666666667 0.83333333333333 0.26676186646423 168.934 > 17 21 Tm 0.16666666666667 0.33333333333333 0.76676186646423 168.934 > 21 22 Tm 0.66666666666667 0.33333333333333 0.76676186646423 168.934 > 21 23 Tm 0.16666666666667 0.83333333333333 0.76676186646423 168.934 > 21 24 Tm 0.66666666666667 0.83333333333333 0.76676186646423 168.934 > 21 25 Ga 0.16705740592355 0.16705740592355 0.49921847204000 69.723 > 25 26 Ga 0.66705740592355 0.16705740592355 0.49921847204000 69.723 > 25 27 Ga 0.16705740592355 0.66705740592355 0.49921847204000 69.723 > 25 28 Ga 0.66705740592355 0.66705740592355 0.49921847204000 69.723 > 25 29 Ga 0.33294259407645 0.33294259407645 0.99921847204000 69.723 > 29 30 Ga 0.83294259407645 0.33294259407645 0.99921847204000 69.723 > 29 31 Ga 0.33294259407645 0.83294259407645 0.99921847204000 69.723 > 29 32 Ga 0.83294259407645 0.83294259407645 0.99921847204000 69.723 > 29 33 Ga 0.00000000000000 0.33294259407645 0.49921847204000 69.723 > 33 34 Ga 0.50000000000000 0.33294259407645 0.49921847204000 69.723 > 33 35 Ga 0.00000000000000 0.83294259407645 0.49921847204000 69.723 > 33 36 Ga 0.50000000000000 0.83294259407645 0.49921847204000 69.723 > 33 37 Ga 0.16705740592355 0.00000000000000 0.99921847204000 69.723 > 37 38 Ga 0.66705740592355 0.00000000000000 0.99921847204000 69.723 > 37 39 Ga 0.16705740592355 0.50000000000000 0.99921847204000 69.723 > 37 40 Ga 0.66705740592355 0.50000000000000 0.99921847204000 69.723 > 37 41 Ga 0.00000000000000 0.16705740592355 0.99921847204000 69.723 > 41 42 Ga 0.50000000000000 0.16705740592355 0.99921847204000 69.723 > 41 43 Ga 0.00000000000000 0.66705740592355 0.99921847204000 69.723 > 41 44 Ga 0.50000000000000 0.66705740592355 0.99921847204000 69.723 > 41 45 Ga 0.33294259407645 0.00000000000000 0.49921847204000 69.723 > 45 46 Ga 0.83294259407645 0.00000000000000 0.49921847204000 69.723 > 45 47 Ga 0.33294259407645 0.50000000000000 0.49921847204000 69.723 > 45 48 Ga 0.83294259407645 0.50000000000000 0.49921847204000 69.723 > 45 49 O 0.15245266472618 0.15245266472618 0.33508830842464 15.999 > 49 50 O 0.65245266472618 0.15245266472618 0.33508830842464 15.999 > 49 51 O 0.15245266472618 0.65245266472618 0.33508830842464 15.999 > 49 52 O 0.65245266472618 0.65245266472618 0.33508830842464 15.999 > 49 53 O 0.18066378712571 0.18066378712571 0.66199486199749 15.999 > 53 54 O 0.68066378712571 0.18066378712571 0.66199486199749 15.999 > 53 55 O 0.18066378712571 0.68066378712571 0.66199486199749 15.999 > 53 56 O 0.68066378712571 0.68066378712571 0.66199486199749 15.999 > 53 57 O 0.31933621287429 0.31933621287429 0.16199486199749 15.999 > 57 58 O 0.81933621287429 0.31933621287429 0.16199486199749 15.999 > 57 59 O 0.31933621287429 0.81933621287429 0.16199486199749 15.999 > 57 60 O 0.81933621287429 0.81933621287429 0.16199486199749 15.999 > 57 61 O 0.34754733527382 0.34754733527382 0.83508830842464 15.999 > 61 62 O 0.84754733527382 0.34754733527382 0.83508830842464 15.999 > 61 63 O 0.34754733527382 0.84754733527382 0.83508830842464 15.999 > 61 64 O 0.84754733527382 0.84754733527382 0.83508830842464 15.999 > 61 65 O 0.33333333333333 0.16666666666667 0.97796356263507 15.999 > 65 66 O 0.83333333333333 0.16666666666667 0.97796356263507 15.999 > 65 67 O 0.33333333333333 0.66666666666667 0.97796356263507 15.999 > 65 68 O 0.83333333333333 0.66666666666667 0.97796356263507 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.52341340365720 15.999 > 69 70 O 0.50000000000000 0.00000000000000 0.52341340365720 15.999 > 69 71 O 0.00000000000000 0.50000000000000 0.52341340365720 15.999 > 69 72 O 0.50000000000000 0.50000000000000 0.52341340365720 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.02341340365720 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.02341340365720 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.02341340365720 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.02341340365720 15.999 > 73 77 O 0.33333333333333 0.16666666666667 0.47796356263507 15.999 > 77 78 O 0.83333333333333 0.16666666666667 0.47796356263507 15.999 > 77 79 O 0.33333333333333 0.66666666666667 0.47796356263507 15.999 > 77 80 O 0.83333333333333 0.66666666666667 0.47796356263507 15.999 > 77 81 O 0.00000000000000 0.34754733527382 0.33508830842464 15.999 > 81 82 O 0.50000000000000 0.34754733527382 0.33508830842464 15.999 > 81 83 O 0.00000000000000 0.84754733527382 0.33508830842464 15.999 > 81 84 O 0.50000000000000 0.84754733527382 0.33508830842464 15.999 > 81 85 O 0.00000000000000 0.31933621287429 0.66199486199749 15.999 > 85 86 O 0.50000000000000 0.31933621287429 0.66199486199749 15.999 > 85 87 O 0.00000000000000 0.81933621287429 0.66199486199749 15.999 > 85 88 O 0.50000000000000 0.81933621287429 0.66199486199749 15.999 > 85 89 O 0.15245266472618 0.00000000000000 0.83508830842464 15.999 > 89 90 O 0.65245266472618 0.00000000000000 0.83508830842464 15.999 > 89 91 O 0.15245266472618 0.50000000000000 0.83508830842464 15.999 > 89 92 O 0.65245266472618 0.50000000000000 0.83508830842464 15.999 > 89 93 O 0.00000000000000 0.18066378712571 0.16199486199749 15.999 > 93 94 O 0.50000000000000 0.18066378712571 0.16199486199749 15.999 > 93 95 O 0.00000000000000 0.68066378712571 0.16199486199749 15.999 > 93 96 O 0.50000000000000 0.68066378712571 0.16199486199749 15.999 > 93 97 O 0.00000000000000 0.15245266472618 0.83508830842464 15.999 > 97 98 O 0.50000000000000 0.15245266472618 0.83508830842464 15.999 > 97 99 O 0.00000000000000 0.65245266472618 0.83508830842464 15.999 > 97 100 O 0.50000000000000 0.65245266472618 0.83508830842464 15.999 > 97 101 O 0.18066378712571 0.00000000000000 0.16199486199749 15.999 > 101 102 O 0.68066378712571 0.00000000000000 0.16199486199749 15.999 > 101 103 O 0.18066378712571 0.50000000000000 0.16199486199749 15.999 > 101 104 O 0.68066378712571 0.50000000000000 0.16199486199749 15.999 > 101 105 O 0.16666666666667 0.33333333333333 0.47796356263507 15.999 > 105 106 O 0.66666666666667 0.33333333333333 0.47796356263507 15.999 > 105 107 O 0.16666666666667 0.83333333333333 0.47796356263507 15.999 > 105 108 O 0.66666666666667 0.83333333333333 0.47796356263507 15.999 > 105 109 O 0.16666666666667 0.33333333333333 0.97796356263507 15.999 > 109 110 O 0.66666666666667 0.33333333333333 0.97796356263507 15.999 > 109 111 O 0.16666666666667 0.83333333333333 0.97796356263507 15.999 > 109 112 O 0.66666666666667 0.83333333333333 0.97796356263507 15.999 > 109 113 O 0.31933621287429 0.00000000000000 0.66199486199749 15.999 > 113 114 O 0.81933621287429 0.00000000000000 0.66199486199749 15.999 > 113 115 O 0.31933621287429 0.50000000000000 0.66199486199749 15.999 > 113 116 O 0.81933621287429 0.50000000000000 0.66199486199749 15.999 > 113 117 O 0.34754733527382 0.00000000000000 0.33508830842464 15.999 > 117 118 O 0.84754733527382 0.00000000000000 0.33508830842464 15.999 > 117 119 O 0.34754733527382 0.50000000000000 0.33508830842464 15.999 > 117 120 O 0.84754733527382 0.50000000000000 0.33508830842464 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1953831 -0.0000000 0.0000000 0.0000000 4.1953831 0.0000000 0.0000000 0.0000000 4.2264120 -------------------------- Born effective charges -------------------------- 1 Tm 3.8611894 -0.1103913 -0.0000000 0.1103913 3.8611894 0.0000000 0.0000000 0.0000000 3.3759972 2 Tm 3.7821287 -0.0000000 -0.0000000 0.0000000 3.7821287 0.0000000 0.0000000 0.0000000 3.4433917 3 Tm 3.7821287 -0.0000000 -0.0000000 0.0000000 3.7821287 0.0000000 0.0000000 0.0000000 3.4433917 4 Tm 3.8611894 0.1103913 -0.0000000 -0.1103913 3.8611894 0.0000000 0.0000000 0.0000000 3.3759972 5 Tm 3.8611894 -0.1103913 -0.0000000 0.1103913 3.8611894 0.0000000 0.0000000 0.0000000 3.3759972 6 Tm 3.8611894 0.1103913 -0.0000000 -0.1103913 3.8611894 0.0000000 0.0000000 0.0000000 3.3759972 7 Ga 2.8632785 -0.0032835 -0.0841240 -0.0032835 2.8594870 -0.1457071 -0.0333244 -0.0577195 3.4330647 8 Ga 2.8632785 -0.0032835 0.0841240 -0.0032835 2.8594870 0.1457071 0.0333244 0.0577195 3.4330647 9 Ga 2.8632785 0.0032835 -0.0841240 0.0032835 2.8594870 0.1457071 -0.0333244 0.0577195 3.4330647 10 Ga 2.8575913 -0.0000000 -0.1682480 0.0000000 2.8651743 0.0000000 -0.0666487 0.0000000 3.4330647 11 Ga 2.8632785 0.0032835 0.0841240 0.0032835 2.8594870 -0.1457071 0.0333244 -0.0577195 3.4330647 12 Ga 2.8575913 -0.0000000 0.1682480 0.0000000 2.8651743 0.0000000 0.0666487 -0.0000000 3.4330647 13 O -2.2975803 0.0272472 -0.0960245 0.0272472 -2.2661180 -0.1663193 -0.0668788 -0.1158375 -2.3697613 14 O -2.1898805 -0.0074698 -0.0891108 -0.0074698 -2.1985058 -0.1543444 -0.0543803 -0.0941895 -2.4861062 15 O -2.1898805 -0.0074698 0.0891108 -0.0074698 -2.1985058 0.1543444 0.0543803 0.0941895 -2.4861062 16 O -2.2975803 0.0272472 0.0960245 0.0272472 -2.2661180 0.1663193 0.0668788 0.1158375 -2.3697613 17 O -2.2234992 0.0048624 -0.0000000 -0.0048624 -2.2234992 0.0000000 0.0000000 0.0000000 -1.9537560 18 O -2.2135304 0.0000000 -0.0000000 0.0000000 -2.2135304 0.0000000 0.0000000 0.0000000 -2.0194658 19 O -2.2135304 0.0000000 -0.0000000 0.0000000 -2.2135304 0.0000000 0.0000000 0.0000000 -2.0194658 20 O -2.2234992 -0.0048624 -0.0000000 0.0048624 -2.2234992 0.0000000 0.0000000 0.0000000 -1.9537560 21 O -2.2975803 -0.0272472 -0.0960245 -0.0272472 -2.2661180 0.1663193 -0.0668788 0.1158375 -2.3697613 22 O -2.1898805 0.0074698 -0.0891108 0.0074698 -2.1985058 0.1543444 -0.0543803 0.0941895 -2.4861062 23 O -2.2503869 0.0000000 -0.1920489 0.0000000 -2.3133115 0.0000000 -0.1337577 0.0000000 -2.3697613 24 O -2.1898805 0.0074698 0.0891108 0.0074698 -2.1985058 -0.1543444 0.0543803 -0.0941895 -2.4861062 25 O -2.2975803 -0.0272472 0.0960245 -0.0272472 -2.2661180 -0.1663193 0.0668788 -0.1158375 -2.3697613 26 O -2.2028185 0.0000000 -0.1782215 0.0000000 -2.1855678 0.0000000 -0.1087606 0.0000000 -2.4861062 27 O -2.2234992 0.0048624 -0.0000000 -0.0048624 -2.2234992 0.0000000 0.0000000 0.0000000 -1.9537560 28 O -2.2234992 -0.0048624 -0.0000000 0.0048624 -2.2234992 0.0000000 0.0000000 0.0000000 -1.9537560 29 O -2.2028185 0.0000000 0.1782215 0.0000000 -2.1855678 0.0000000 0.1087606 -0.0000000 -2.4861062 30 O -2.2503869 0.0000000 0.1920489 0.0000000 -2.3133115 0.0000000 0.1337577 -0.0000000 -2.3697613 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (xxx) -0.00000003 (xxx) -0.00000003 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 10 10 4 ] 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: 0.59, Number of G-points: 313, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 -0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.709 ( -0.000 0.000 0.000) 0.000 2.919 ( 0.000 -0.000 0.000) 0.000 3.148 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 -0.000 -0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.670 ( -0.000 0.000 -0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 -0.000) 0.000 4.491 ( -0.000 -0.000 0.000) 0.000 4.785 ( 0.000 0.000 0.000) 0.000 4.785 ( 0.000 -0.000 0.000) 0.000 4.846 ( 0.000 -0.000 -0.000) 0.000 4.846 ( 0.000 0.000 0.000) 0.000 5.008 ( -0.000 -0.000 -0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 -0.000) 0.000 5.022 ( 0.000 0.000 -0.000) 0.000 5.788 ( 0.000 -0.000 -0.000) 0.000 5.788 ( 0.000 -0.000 -0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 -0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.800 ( -0.000 -0.000 -0.000) 0.000 7.531 ( 0.000 -0.000 -0.000) 0.000 7.533 ( 0.000 -0.000 -0.000) 0.000 7.556 ( 0.000 -0.000 0.000) 0.000 7.591 ( 0.000 -0.000 0.000) 0.000 7.655 ( 0.000 0.000 0.000) 0.000 7.655 ( 0.000 -0.000 0.000) 0.000 7.669 ( 0.000 -0.000 0.000) 0.000 7.669 ( 0.000 -0.000 -0.000) 0.000 7.865 ( 0.000 0.000 -0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 9.174 ( 0.000 -0.000 -0.000) 0.000 9.716 ( 0.000 -0.000 0.000) 0.000 9.716 ( -0.000 0.000 0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 9.856 ( -0.000 0.000 0.000) 0.000 9.982 ( -0.000 -0.000 0.000) 0.000 9.982 ( 0.000 -0.000 -0.000) 0.000 9.991 ( -0.000 -0.000 -0.000) 0.000 10.172 ( 0.000 -0.000 0.000) 0.000 10.172 ( 0.000 -0.000 -0.000) 0.000 11.057 ( 0.000 0.000 -0.000) 0.000 11.057 ( 0.000 0.000 0.000) 0.000 11.315 ( 0.000 -0.000 0.000) 0.000 11.315 ( 0.000 -0.000 0.000) 0.000 11.638 ( 0.000 -0.000 0.000) 0.000 11.666 ( 0.000 -0.000 0.000) 0.000 11.720 ( -0.000 -0.000 -0.000) 0.000 11.733 ( 0.000 -0.000 0.000) 0.000 11.733 ( 0.000 0.000 0.000) 0.000 12.242 ( 0.000 -0.000 0.000) 0.000 12.242 ( -0.000 -0.000 0.000) 0.000 12.321 ( 0.000 0.000 0.000) 0.000 12.321 ( 0.000 -0.000 0.000) 0.000 12.532 ( 0.000 0.000 0.000) 0.000 12.532 ( -0.000 0.000 0.000) 0.000 12.945 ( -0.000 0.000 0.000) 0.000 13.557 ( 0.000 0.000 -0.000) 0.000 13.562 ( -0.000 0.000 -0.000) 0.000 13.562 ( 0.000 0.000 0.000) 0.000 14.072 ( -0.000 -0.000 -0.000) 0.000 14.072 ( 0.000 -0.000 0.000) 0.000 14.291 ( 0.000 0.000 0.000) 0.000 14.972 ( -0.000 0.000 0.000) 0.000 15.504 ( 0.000 -0.000 -0.000) 0.000 15.504 ( 0.000 0.000 -0.000) 0.000 15.508 ( 0.000 -0.000 -0.000) 0.000 15.508 ( 0.000 0.000 -0.000) 0.000 15.604 ( 0.000 0.000 0.000) 0.000 15.890 ( 0.000 -0.000 -0.000) 0.000 16.010 ( -0.000 0.000 -0.000) 0.000 17.623 ( 0.000 -0.000 -0.000) 0.000 17.623 ( 0.000 0.000 -0.000) 0.000 17.629 ( -0.000 -0.000 0.000) 0.000 17.666 ( 0.000 0.000 -0.000) 0.000 17.666 ( 0.000 -0.000 0.000) 0.000 18.415 ( 0.000 -0.000 -0.000) 0.000 18.415 ( -0.000 -0.000 0.000) 0.000 18.458 ( 0.000 0.000 -0.000) 0.000 18.458 ( 0.000 -0.000 -0.000) 0.000 19.489 ( -0.000 0.000 0.000) 0.000 19.495 ( -0.000 -0.000 0.000) 0.000 21.006 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 26.149 15.097 0.000) 30.195 0.700 ( 30.747 17.752 0.000) 35.504 1.075 ( 47.148 27.221 0.000) 54.441 2.320 ( 5.289 3.054 0.000) 6.108 2.347 ( 7.266 4.195 0.000) 8.390 2.725 ( 1.425 0.823 0.000) 1.646 2.922 ( 0.207 0.120 0.000) 0.239 3.154 ( 1.008 0.582 0.000) 1.164 3.467 ( 3.452 1.993 0.000) 3.986 3.470 ( 4.449 2.569 0.000) 5.137 3.625 ( -2.264 -1.307 0.000) 2.614 3.831 ( 2.537 1.465 0.000) 2.930 3.982 ( 13.779 7.955 0.000) 15.910 4.569 ( -2.187 -1.263 0.000) 2.526 4.594 ( -18.374 -10.608 0.000) 21.217 4.625 ( -9.564 -5.522 0.000) 11.044 4.656 ( -9.643 -5.567 0.000) 11.135 4.659 ( -6.985 -4.033 0.000) 8.065 4.924 ( 1.849 1.068 0.000) 2.135 4.961 ( 4.740 2.737 0.000) 5.473 5.276 ( 7.557 4.363 0.000) 8.726 5.291 ( 7.303 4.217 0.000) 8.433 5.637 ( -11.056 -6.383 0.000) 12.766 5.677 ( -6.475 -3.738 0.000) 7.476 5.733 ( -8.189 -4.728 0.000) 9.456 5.735 ( -6.782 -3.916 0.000) 7.831 6.100 ( 3.873 2.236 0.000) 4.473 6.812 ( 0.593 0.343 0.000) 0.685 7.405 ( -8.943 -5.163 0.000) 10.326 7.450 ( -10.062 -5.809 0.000) 11.618 7.541 ( 0.491 0.283 0.000) 0.567 7.548 ( 0.465 0.268 0.000) 0.537 7.592 ( -1.155 -0.667 0.000) 1.333 7.624 ( 1.576 0.910 0.000) 1.819 7.782 ( 3.375 1.949 0.000) 3.898 7.784 ( 5.068 2.926 0.000) 5.852 8.092 ( 15.702 9.066 0.000) 18.131 8.987 ( 6.619 3.821 0.000) 7.643 9.179 ( 0.252 0.145 0.000) 0.290 9.624 ( -6.936 -4.005 0.000) 8.009 9.703 ( -1.109 -0.640 0.000) 1.280 9.835 ( -3.506 -2.024 0.000) 4.048 9.881 ( -4.189 -2.419 0.000) 4.837 10.000 ( -1.197 -0.691 0.000) 1.382 10.011 ( 2.278 1.315 0.000) 2.631 10.145 ( -3.520 -2.032 0.000) 4.064 10.236 ( 5.394 3.114 0.000) 6.229 10.754 ( -17.822 -10.289 0.000) 20.579 10.982 ( -17.750 -10.248 0.000) 20.496 11.075 ( 2.239 1.292 0.000) 2.585 11.361 ( 3.315 1.914 0.000) 3.828 11.605 ( -9.404 -5.430 0.000) 10.859 11.617 ( -4.491 -2.593 0.000) 5.186 11.669 ( -4.237 -2.446 0.000) 4.892 11.975 ( 14.563 8.408 0.000) 16.816 12.073 ( 15.837 9.143 0.000) 18.287 12.112 ( 1.462 0.844 0.000) 1.688 12.191 ( -4.216 -2.434 0.000) 4.868 12.231 ( 6.904 3.986 0.000) 7.972 12.372 ( 5.168 2.984 0.000) 5.967 12.399 ( -2.442 -1.410 0.000) 2.819 12.528 ( -0.116 -0.067 0.000) 0.134 12.911 ( -2.945 -1.700 0.000) 3.401 13.409 ( -5.759 -3.325 0.000) 6.650 13.575 ( 1.462 0.844 0.000) 1.688 13.580 ( 1.546 0.892 0.000) 1.785 13.985 ( -5.331 -3.078 0.000) 6.156 14.082 ( 0.905 0.522 0.000) 1.045 14.453 ( 11.584 6.688 0.000) 13.376 14.969 ( -0.929 -0.536 0.000) 1.073 15.301 ( -11.208 -6.471 0.000) 12.942 15.418 ( -6.752 -3.899 0.000) 7.797 15.454 ( -4.777 -2.758 0.000) 5.516 15.501 ( -0.378 -0.218 0.000) 0.437 15.763 ( 7.538 4.352 0.000) 8.704 15.897 ( -0.041 -0.023 0.000) 0.047 16.012 ( -0.052 -0.030 0.000) 0.061 17.262 ( -5.620 -3.245 0.000) 6.489 17.623 ( 1.118 0.646 0.000) 1.291 17.646 ( 1.033 0.596 0.000) 1.193 17.661 ( -0.422 -0.244 0.000) 0.487 17.765 ( 7.586 4.380 0.000) 8.760 17.946 ( 1.466 0.847 0.000) 1.693 18.404 ( -0.306 -0.177 0.000) 0.354 18.423 ( 1.252 0.723 0.000) 1.445 18.486 ( 1.858 1.073 0.000) 2.145 18.507 ( 3.800 2.194 0.000) 4.388 19.477 ( -1.110 -0.641 0.000) 1.282 19.501 ( 0.294 0.170 0.000) 0.340 20.902 ( -8.970 -5.179 0.000) 10.357 ======================= Grid point 2 (3/42) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 25.662 14.816 0.000) 29.632 1.357 ( 27.641 15.959 0.000) 31.918 2.096 ( 43.518 25.125 0.000) 50.250 2.491 ( 9.781 5.647 0.000) 11.294 2.551 ( 10.209 5.894 0.000) 11.788 2.772 ( 2.655 1.533 0.000) 3.066 2.926 ( 0.051 0.029 0.000) 0.059 3.206 ( 3.466 2.001 0.000) 4.002 3.547 ( 3.487 2.013 0.000) 4.026 3.574 ( -1.073 -0.619 0.000) 1.238 3.620 ( 7.402 4.274 0.000) 8.547 3.905 ( 3.674 2.121 0.000) 4.242 4.126 ( -21.674 -12.514 0.000) 25.027 4.227 ( -18.041 -10.416 0.000) 20.832 4.300 ( 4.334 2.503 0.000) 5.005 4.339 ( -12.425 -7.174 0.000) 14.347 4.525 ( 6.336 3.658 0.000) 7.316 4.783 ( -0.344 -0.199 0.000) 0.398 5.041 ( 12.440 7.182 0.000) 14.364 5.054 ( 3.290 1.900 0.000) 3.800 5.184 ( -12.311 -7.107 0.000) 14.215 5.250 ( -10.707 -6.182 0.000) 12.363 5.424 ( -8.670 -5.006 0.000) 10.011 5.514 ( -7.483 -4.321 0.000) 8.641 5.522 ( -11.751 -6.784 0.000) 13.568 5.725 ( 8.295 4.789 0.000) 9.578 6.205 ( 5.691 3.286 0.000) 6.572 6.807 ( -1.178 -0.680 0.000) 1.360 7.207 ( -11.227 -6.482 0.000) 12.963 7.241 ( -5.519 -3.186 0.000) 6.373 7.503 ( -5.218 -3.013 0.000) 6.025 7.517 ( -4.826 -2.786 0.000) 5.573 7.573 ( 1.095 0.632 0.000) 1.264 7.667 ( 0.904 0.522 0.000) 1.043 7.831 ( 2.410 1.392 0.000) 2.783 7.906 ( 5.187 2.994 0.000) 5.989 8.483 ( 18.785 10.845 0.000) 21.691 9.173 ( -1.013 -0.585 0.000) 1.170 9.193 ( 11.310 6.530 0.000) 13.059 9.480 ( -4.485 -2.589 0.000) 5.179 9.682 ( -0.610 -0.352 0.000) 0.704 9.702 ( -6.036 -3.485 0.000) 6.970 9.829 ( -2.515 -1.452 0.000) 2.905 9.933 ( -5.064 -2.924 0.000) 5.847 10.012 ( -6.926 -3.999 0.000) 7.998 10.071 ( 2.932 1.693 0.000) 3.386 10.385 ( 7.097 4.097 0.000) 8.194 10.421 ( -11.316 -6.534 0.000) 13.067 10.628 ( -13.810 -7.973 0.000) 15.947 11.168 ( 4.491 2.593 0.000) 5.186 11.355 ( -4.606 -2.659 0.000) 5.319 11.355 ( -11.794 -6.809 0.000) 13.618 11.537 ( -4.903 -2.830 0.000) 5.661 11.619 ( 5.008 2.891 0.000) 5.782 11.968 ( -7.658 -4.422 0.000) 8.843 12.052 ( -7.085 -4.091 0.000) 8.182 12.147 ( 0.567 0.327 0.000) 0.655 12.251 ( 2.876 1.661 0.000) 3.321 12.322 ( -3.984 -2.300 0.000) 4.600 12.432 ( 1.418 0.819 0.000) 1.637 12.616 ( 12.195 7.041 0.000) 14.081 12.797 ( 26.085 15.060 0.000) 30.121 12.823 ( -4.610 -2.662 0.000) 5.323 13.239 ( -8.989 -5.190 0.000) 10.380 13.613 ( 1.698 0.981 0.000) 1.961 13.627 ( 2.378 1.373 0.000) 2.746 13.876 ( -3.787 -2.186 0.000) 4.373 14.112 ( 1.737 1.003 0.000) 2.006 14.739 ( 12.816 7.399 0.000) 14.798 14.900 ( -5.514 -3.183 0.000) 6.366 15.050 ( -10.994 -6.348 0.000) 12.695 15.237 ( -8.898 -5.137 0.000) 10.275 15.306 ( -8.054 -4.650 0.000) 9.300 15.500 ( 0.117 0.068 0.000) 0.136 15.868 ( -2.631 -1.519 0.000) 3.038 15.909 ( 5.792 3.344 0.000) 6.688 15.997 ( -1.412 -0.815 0.000) 1.631 17.098 ( -8.740 -5.046 0.000) 10.092 17.650 ( -0.477 -0.275 0.000) 0.551 17.661 ( 0.181 0.105 0.000) 0.209 17.675 ( 3.229 1.864 0.000) 3.728 17.985 ( 11.666 6.735 0.000) 13.471 17.988 ( 2.141 1.236 0.000) 2.472 18.417 ( 1.627 0.939 0.000) 1.878 18.476 ( 3.328 1.921 0.000) 3.843 18.531 ( 2.256 1.302 0.000) 2.605 18.616 ( 5.785 3.340 0.000) 6.680 19.436 ( -2.620 -1.513 0.000) 3.025 19.491 ( -1.522 -0.879 0.000) 1.758 20.624 ( -15.348 -8.861 0.000) 17.723 ======================= Grid point 3 (4/42) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 24.834 14.338 0.000) 28.676 1.925 ( 22.886 13.213 0.000) 26.426 2.741 ( 12.781 7.379 0.000) 14.759 2.774 ( 8.948 5.166 0.000) 10.333 2.841 ( 3.641 2.102 0.000) 4.205 2.912 ( 0.560 0.324 0.000) 0.647 2.992 ( 31.419 18.140 0.000) 36.279 3.276 ( 1.886 1.089 0.000) 2.178 3.561 ( 2.306 1.331 0.000) 2.662 3.602 ( -1.901 -1.098 0.000) 2.196 3.650 ( -18.609 -10.744 0.000) 21.488 3.822 ( 7.862 4.539 0.000) 9.078 3.856 ( -10.884 -6.284 0.000) 12.568 3.921 ( -5.598 -3.232 0.000) 6.464 4.135 ( -9.731 -5.618 0.000) 11.236 4.160 ( 0.282 0.163 0.000) 0.326 4.659 ( -8.595 -4.962 0.000) 9.925 4.852 ( -13.376 -7.722 0.000) 15.445 4.866 ( 0.867 0.500 0.000) 1.001 4.977 ( 2.015 1.163 0.000) 2.327 5.140 ( -13.315 -7.687 0.000) 15.374 5.189 ( -13.873 -8.010 0.000) 16.019 5.220 ( 11.722 6.768 0.000) 13.535 5.382 ( -8.067 -4.658 0.000) 9.315 5.492 ( 18.959 10.946 0.000) 21.892 5.909 ( 7.335 4.235 0.000) 8.470 6.356 ( 7.554 4.361 0.000) 8.723 6.759 ( -3.193 -1.844 0.000) 3.687 6.960 ( -10.591 -6.115 0.000) 12.230 7.138 ( -4.787 -2.764 0.000) 5.527 7.331 ( -9.287 -5.362 0.000) 10.724 7.370 ( -7.190 -4.151 0.000) 8.303 7.598 ( 0.943 0.544 0.000) 1.089 7.605 ( -5.834 -3.368 0.000) 6.736 7.939 ( 6.505 3.756 0.000) 7.511 8.001 ( 3.196 1.845 0.000) 3.691 8.916 ( 19.426 11.215 0.000) 22.431 9.149 ( -0.354 -0.205 0.000) 0.409 9.436 ( -0.181 -0.104 0.000) 0.209 9.463 ( 11.828 6.829 0.000) 13.658 9.581 ( -5.056 -2.919 0.000) 5.838 9.687 ( 1.435 0.829 0.000) 1.657 9.754 ( -3.533 -2.040 0.000) 4.080 9.792 ( -5.973 -3.448 0.000) 6.897 9.899 ( -3.328 -1.921 0.000) 3.843 10.146 ( 4.031 2.327 0.000) 4.655 10.230 ( -6.679 -3.856 0.000) 7.712 10.360 ( -10.067 -5.812 0.000) 11.624 10.518 ( 4.002 2.311 0.000) 4.622 11.046 ( -12.111 -6.992 0.000) 13.984 11.112 ( -9.444 -5.452 0.000) 10.904 11.393 ( -4.405 -2.543 0.000) 5.086 11.453 ( 7.950 4.590 0.000) 9.180 11.771 ( -9.242 -5.336 0.000) 10.671 11.829 ( 11.596 6.695 0.000) 13.390 11.883 ( -6.873 -3.968 0.000) 7.936 12.117 ( -3.998 -2.308 0.000) 4.617 12.269 ( 0.441 0.255 0.000) 0.510 12.270 ( -0.111 -0.064 0.000) 0.128 12.403 ( -2.375 -1.371 0.000) 2.743 12.716 ( -4.756 -2.746 0.000) 5.491 12.925 ( 12.865 7.427 0.000) 14.855 13.022 ( -10.118 -5.841 0.000) 11.683 13.321 ( 17.663 10.198 0.000) 20.396 13.641 ( 0.661 0.382 0.000) 0.764 13.684 ( 4.506 2.602 0.000) 5.203 13.854 ( 2.420 1.397 0.000) 2.794 14.160 ( 2.608 1.506 0.000) 3.012 14.733 ( -8.830 -5.098 0.000) 10.196 14.818 ( -9.408 -5.432 0.000) 10.864 14.929 ( -0.926 -0.535 0.000) 1.070 15.032 ( -9.308 -5.374 0.000) 10.748 15.171 ( 0.995 0.575 0.000) 1.149 15.485 ( -1.770 -1.022 0.000) 2.043 15.788 ( -4.282 -2.472 0.000) 4.945 15.953 ( -2.294 -1.325 0.000) 2.649 16.043 ( 6.519 3.764 0.000) 7.528 16.885 ( -10.015 -5.782 0.000) 11.564 17.640 ( -0.420 -0.242 0.000) 0.485 17.655 ( -0.483 -0.279 0.000) 0.558 17.753 ( 3.351 1.935 0.000) 3.870 18.035 ( 1.895 1.094 0.000) 2.188 18.254 ( 11.218 6.477 0.000) 12.953 18.473 ( 2.897 1.672 0.000) 3.345 18.561 ( 3.911 2.258 0.000) 4.515 18.604 ( 5.249 3.030 0.000) 6.061 18.760 ( 6.963 4.020 0.000) 8.040 19.357 ( -4.441 -2.564 0.000) 5.128 19.432 ( -3.498 -2.020 0.000) 4.039 20.241 ( -18.283 -10.555 0.000) 21.111 ======================= Grid point 4 (5/42) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 23.503 13.569 0.000) 27.138 2.370 ( 16.602 9.585 0.000) 19.170 2.857 ( -4.221 -2.437 0.000) 4.874 2.887 ( 2.082 1.202 0.000) 2.404 2.959 ( 4.538 2.620 0.000) 5.240 3.042 ( 13.073 7.548 0.000) 15.095 3.271 ( -10.092 -5.827 0.000) 11.654 3.296 ( -10.467 -6.043 0.000) 12.087 3.330 ( -7.153 -4.130 0.000) 8.260 3.336 ( 1.450 0.837 0.000) 1.674 3.717 ( -9.376 -5.413 0.000) 10.826 3.745 ( -7.644 -4.414 0.000) 8.827 3.893 ( 7.350 4.244 0.000) 8.488 3.988 ( 23.392 13.505 0.000) 27.010 4.161 ( 12.091 6.981 0.000) 13.962 4.285 ( 8.263 4.771 0.000) 9.541 4.456 ( -8.188 -4.728 0.000) 9.455 4.604 ( -8.424 -4.863 0.000) 9.727 4.640 ( -11.387 -6.574 0.000) 13.148 4.849 ( -15.206 -8.779 0.000) 17.558 4.862 ( -9.249 -5.340 0.000) 10.679 5.066 ( -7.600 -4.388 0.000) 8.776 5.133 ( -7.044 -4.067 0.000) 8.134 5.703 ( 25.748 14.865 0.000) 29.731 5.907 ( 15.249 8.804 0.000) 17.608 6.052 ( 6.748 3.896 0.000) 7.792 6.492 ( 1.044 0.603 0.000) 1.206 6.630 ( -10.161 -5.866 0.000) 11.733 6.770 ( -3.609 -2.084 0.000) 4.167 6.986 ( -7.266 -4.195 0.000) 8.390 7.124 ( -8.593 -4.961 0.000) 9.922 7.261 ( -2.178 -1.257 0.000) 2.515 7.454 ( -6.506 -3.756 0.000) 7.513 7.613 ( 0.424 0.245 0.000) 0.490 8.051 ( 1.419 0.819 0.000) 1.639 8.078 ( 5.148 2.972 0.000) 5.944 9.171 ( 1.974 1.139 0.000) 2.279 9.320 ( 15.494 8.946 0.000) 17.892 9.439 ( 0.073 0.042 0.000) 0.084 9.480 ( -3.352 -1.935 0.000) 3.870 9.636 ( 2.698 1.558 0.000) 3.115 9.670 ( -4.082 -2.357 0.000) 4.713 9.724 ( 0.081 0.047 0.000) 0.094 9.790 ( 7.439 4.295 0.000) 8.590 9.852 ( -1.136 -0.656 0.000) 1.312 10.093 ( -5.307 -3.064 0.000) 6.128 10.185 ( -5.584 -3.224 0.000) 6.448 10.258 ( 5.990 3.458 0.000) 6.916 10.541 ( -1.737 -1.003 0.000) 2.005 10.751 ( -13.197 -7.619 0.000) 15.238 10.949 ( -4.872 -2.813 0.000) 5.626 11.330 ( 0.217 0.125 0.000) 0.250 11.533 ( -3.913 -2.259 0.000) 4.519 11.586 ( -6.494 -3.749 0.000) 7.498 11.841 ( 4.331 2.501 0.000) 5.001 12.011 ( -4.172 -2.409 0.000) 4.817 12.100 ( 11.338 6.546 0.000) 13.091 12.265 ( -0.165 -0.095 0.000) 0.190 12.316 ( 2.770 1.599 0.000) 3.199 12.350 ( -2.065 -1.192 0.000) 2.384 12.622 ( -3.233 -1.866 0.000) 3.733 12.796 ( -9.825 -5.672 0.000) 11.345 13.158 ( 7.733 4.465 0.000) 8.929 13.463 ( -0.888 -0.513 0.000) 1.026 13.642 ( -0.375 -0.217 0.000) 0.434 13.918 ( 8.038 4.641 0.000) 9.281 13.997 ( 13.955 8.057 0.000) 16.114 14.230 ( 3.697 2.135 0.000) 4.269 14.529 ( -8.739 -5.045 0.000) 10.090 14.648 ( -5.483 -3.165 0.000) 6.331 14.730 ( -12.393 -7.155 0.000) 14.310 14.837 ( -7.488 -4.323 0.000) 8.647 15.312 ( 7.059 4.075 0.000) 8.151 15.430 ( -2.619 -1.512 0.000) 3.024 15.689 ( -4.242 -2.449 0.000) 4.898 15.906 ( -1.664 -0.961 0.000) 1.921 16.203 ( 7.519 4.341 0.000) 8.683 16.663 ( -9.394 -5.424 0.000) 10.847 17.630 ( -0.499 -0.288 0.000) 0.576 17.647 ( -0.208 -0.120 0.000) 0.241 17.814 ( 1.945 1.123 0.000) 2.246 18.069 ( 1.074 0.620 0.000) 1.240 18.445 ( 5.757 3.324 0.000) 6.647 18.518 ( 0.977 0.564 0.000) 1.128 18.636 ( 2.534 1.463 0.000) 2.926 18.794 ( 10.275 5.933 0.000) 11.865 18.922 ( 7.433 4.291 0.000) 8.583 19.239 ( -6.094 -3.518 0.000) 7.036 19.366 ( -1.066 -0.615 0.000) 1.231 19.830 ( -17.792 -10.272 0.000) 20.545 ======================= Grid point 5 (6/42) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.622 ( -0.000 -0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.755 ( 0.000 0.000 0.000) 0.000 2.787 ( 0.000 0.000 0.000) 0.000 2.964 ( -0.000 -0.000 0.000) 0.000 3.025 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.359 ( -0.000 -0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 4.008 ( -0.000 -0.000 0.000) 0.000 4.329 ( 0.000 0.000 0.000) 0.000 4.354 ( -0.000 -0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.490 ( -0.000 -0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.607 ( -0.000 -0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 5.124 ( 0.000 0.000 0.000) 0.000 6.041 ( 0.000 0.000 0.000) 0.000 6.246 ( -0.000 -0.000 0.000) 0.000 6.264 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.330 ( 0.000 0.000 0.000) 0.000 6.809 ( -0.000 -0.000 0.000) 0.000 6.904 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 7.618 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.140 ( -0.000 -0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.439 ( 0.000 0.000 0.000) 0.000 9.443 ( 0.000 0.000 0.000) 0.000 9.524 ( 0.000 0.000 0.000) 0.000 9.618 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 0.000) 0.000 9.736 ( 0.000 0.000 0.000) 0.000 9.837 ( 0.000 0.000 0.000) 0.000 9.894 ( 0.000 0.000 0.000) 0.000 10.029 ( 0.000 0.000 0.000) 0.000 10.116 ( 0.000 0.000 0.000) 0.000 10.375 ( 0.000 0.000 0.000) 0.000 10.499 ( 0.000 0.000 0.000) 0.000 10.545 ( -0.000 -0.000 0.000) 0.000 10.895 ( 0.000 0.000 0.000) 0.000 11.385 ( -0.000 -0.000 0.000) 0.000 11.419 ( 0.000 0.000 0.000) 0.000 11.509 ( 0.000 0.000 0.000) 0.000 11.916 ( 0.000 0.000 0.000) 0.000 11.960 ( 0.000 0.000 0.000) 0.000 12.259 ( 0.000 0.000 0.000) 0.000 12.264 ( 0.000 0.000 0.000) 0.000 12.323 ( 0.000 0.000 0.000) 0.000 12.356 ( 0.000 0.000 0.000) 0.000 12.617 ( 0.000 0.000 0.000) 0.000 12.619 ( -0.000 -0.000 0.000) 0.000 13.254 ( 0.000 0.000 0.000) 0.000 13.436 ( 0.000 0.000 0.000) 0.000 13.636 ( 0.000 0.000 0.000) 0.000 13.998 ( 0.000 0.000 0.000) 0.000 14.275 ( -0.000 -0.000 0.000) 0.000 14.306 ( 0.000 0.000 0.000) 0.000 14.393 ( -0.000 -0.000 0.000) 0.000 14.497 ( 0.000 0.000 0.000) 0.000 14.584 ( 0.000 0.000 0.000) 0.000 14.741 ( 0.000 0.000 0.000) 0.000 15.396 ( 0.000 0.000 0.000) 0.000 15.406 ( 0.000 0.000 0.000) 0.000 15.627 ( 0.000 0.000 0.000) 0.000 15.886 ( 0.000 0.000 0.000) 0.000 16.328 ( -0.000 -0.000 0.000) 0.000 16.517 ( 0.000 0.000 0.000) 0.000 17.623 ( 0.000 0.000 0.000) 0.000 17.645 ( 0.000 0.000 0.000) 0.000 17.836 ( 0.000 0.000 0.000) 0.000 18.081 ( 0.000 0.000 0.000) 0.000 18.519 ( -0.000 -0.000 0.000) 0.000 18.520 ( 0.000 0.000 0.000) 0.000 18.666 ( 0.000 0.000 0.000) 0.000 18.936 ( 0.000 0.000 0.000) 0.000 19.076 ( -0.000 -0.000 0.000) 0.000 19.100 ( 0.000 0.000 0.000) 0.000 19.436 ( 0.000 0.000 0.000) 0.000 19.520 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/42) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 14.255 24.690 0.000) 28.510 1.188 ( 16.535 28.639 0.000) 33.070 1.839 ( 26.269 45.498 0.000) 52.537 2.428 ( 4.602 7.971 0.000) 9.204 2.496 ( 5.937 10.284 0.000) 11.874 2.757 ( 1.423 2.464 0.000) 2.845 2.926 ( 0.103 0.179 0.000) 0.206 3.190 ( 1.955 3.387 0.000) 3.911 3.530 ( 2.167 3.753 0.000) 4.333 3.558 ( 3.744 6.484 0.000) 7.487 3.590 ( -1.158 -2.006 0.000) 2.316 3.883 ( 2.071 3.588 0.000) 4.143 4.229 ( 7.077 12.257 0.000) 14.153 4.288 ( -11.429 -19.795 0.000) 22.858 4.301 ( -11.472 -19.870 0.000) 22.943 4.450 ( -7.049 -12.209 0.000) 14.098 4.481 ( -2.198 -3.807 0.000) 4.396 4.811 ( 6.423 11.124 0.000) 12.845 4.949 ( -0.044 -0.076 0.000) 0.088 5.034 ( 3.787 6.559 0.000) 7.573 5.231 ( -5.781 -10.012 0.000) 11.561 5.350 ( -2.876 -4.981 0.000) 5.751 5.460 ( -7.352 -12.733 0.000) 14.703 5.585 ( -4.495 -7.785 0.000) 8.989 5.613 ( -2.397 -4.152 0.000) 4.794 5.632 ( 0.702 1.216 0.000) 1.404 6.174 ( 3.025 5.239 0.000) 6.050 6.814 ( -0.190 -0.329 0.000) 0.380 7.233 ( -5.814 -10.070 0.000) 11.628 7.327 ( -4.004 -6.936 0.000) 8.009 7.517 ( -1.395 -2.416 0.000) 2.790 7.586 ( 0.140 0.242 0.000) 0.279 7.589 ( 0.494 0.855 0.000) 0.988 7.670 ( -1.300 -2.252 0.000) 2.600 7.684 ( 0.654 1.132 0.000) 1.307 7.940 ( 2.926 5.067 0.000) 5.851 8.362 ( 10.275 17.796 0.000) 20.549 9.127 ( 5.892 10.205 0.000) 11.784 9.180 ( -0.130 -0.225 0.000) 0.260 9.550 ( -2.156 -3.734 0.000) 4.312 9.608 ( -3.651 -6.323 0.000) 7.301 9.762 ( -3.472 -6.013 0.000) 6.944 9.835 ( -0.453 -0.785 0.000) 0.907 9.993 ( -0.742 -1.285 0.000) 1.484 10.060 ( 1.669 2.891 0.000) 3.338 10.098 ( -2.130 -3.689 0.000) 4.259 10.282 ( 1.186 2.054 0.000) 2.371 10.463 ( -9.083 -15.732 0.000) 18.166 10.723 ( -6.787 -11.755 0.000) 13.573 11.214 ( 4.474 7.750 0.000) 8.949 11.323 ( -5.269 -9.126 0.000) 10.538 11.439 ( 0.369 0.639 0.000) 0.738 11.536 ( -4.151 -7.190 0.000) 8.303 11.607 ( -3.203 -5.547 0.000) 6.405 12.034 ( -2.786 -4.825 0.000) 5.571 12.063 ( -2.607 -4.515 0.000) 5.213 12.154 ( -0.290 -0.503 0.000) 0.581 12.251 ( 0.271 0.469 0.000) 0.541 12.313 ( -0.429 -0.744 0.000) 0.859 12.500 ( -0.230 -0.398 0.000) 0.460 12.536 ( 11.841 20.509 0.000) 23.682 12.591 ( 11.097 19.221 0.000) 22.195 12.852 ( -2.382 -4.126 0.000) 4.765 13.289 ( -4.867 -8.430 0.000) 9.734 13.601 ( 0.961 1.665 0.000) 1.922 13.618 ( 1.680 2.909 0.000) 3.359 13.879 ( -3.476 -6.020 0.000) 6.951 14.120 ( 1.331 2.305 0.000) 2.662 14.658 ( 7.513 13.013 0.000) 15.026 14.929 ( -2.362 -4.092 0.000) 4.725 15.118 ( -6.415 -11.111 0.000) 12.830 15.289 ( -5.106 -8.845 0.000) 10.213 15.333 ( -4.662 -8.075 0.000) 9.324 15.532 ( 1.376 2.384 0.000) 2.753 15.835 ( 0.430 0.746 0.000) 0.861 15.905 ( 1.061 1.837 0.000) 2.122 16.004 ( -0.594 -1.028 0.000) 1.187 17.147 ( -4.780 -8.280 0.000) 9.561 17.627 ( 0.540 0.935 0.000) 1.080 17.658 ( 0.211 0.366 0.000) 0.423 17.707 ( 1.280 2.217 0.000) 2.560 17.888 ( 5.365 9.292 0.000) 10.730 17.979 ( 1.548 2.681 0.000) 3.096 18.413 ( 0.559 0.969 0.000) 1.119 18.446 ( 1.435 2.486 0.000) 2.871 18.545 ( 2.176 3.768 0.000) 4.351 18.564 ( 2.477 4.290 0.000) 4.953 19.449 ( -1.335 -2.312 0.000) 2.670 19.503 ( -0.274 -0.474 0.000) 0.547 20.712 ( -8.067 -13.973 0.000) 16.135 ======================= Grid point 13 (8/42) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 19.712 18.587 0.000) 27.093 1.736 ( 18.708 21.588 0.000) 28.566 2.620 ( 8.975 8.284 0.000) 12.213 2.704 ( 14.027 17.343 0.000) 22.305 2.725 ( 22.093 27.391 0.000) 35.190 2.819 ( 2.523 3.394 0.000) 4.229 2.925 ( -0.253 -0.125 0.000) 0.282 3.271 ( 2.146 4.219 0.000) 4.733 3.556 ( -0.450 -0.544 0.000) 0.706 3.598 ( 1.517 2.286 0.000) 2.744 3.712 ( 7.031 4.576 0.000) 8.389 3.839 ( -16.648 -15.386 0.000) 22.669 3.918 ( -7.584 -14.426 0.000) 16.298 3.960 ( -2.948 -3.103 0.000) 4.280 4.159 ( -6.276 -10.195 0.000) 11.971 4.218 ( -6.413 -7.422 0.000) 9.809 4.748 ( 10.795 13.539 0.000) 17.316 4.826 ( -7.363 3.696 0.000) 8.239 4.943 ( -6.877 -10.525 0.000) 12.573 5.015 ( 2.031 -4.546 0.000) 4.979 5.114 ( -6.349 -7.855 0.000) 10.100 5.201 ( -6.865 -12.995 0.000) 14.697 5.310 ( -8.369 -6.778 0.000) 10.769 5.365 ( 10.764 12.295 0.000) 16.341 5.557 ( -9.471 5.600 0.000) 11.002 5.771 ( 10.543 -0.707 0.000) 10.566 6.301 ( 5.268 6.474 0.000) 8.347 6.794 ( -1.738 -0.406 0.000) 1.785 7.043 ( -6.517 -8.592 0.000) 10.785 7.180 ( -6.232 -4.149 0.000) 7.487 7.449 ( -2.862 -5.680 0.000) 6.360 7.497 ( -9.247 1.295 0.000) 9.337 7.568 ( -6.387 0.779 0.000) 6.434 7.628 ( 1.942 -3.832 0.000) 4.295 7.777 ( 9.950 -4.649 0.000) 10.982 8.002 ( 0.622 3.042 0.000) 3.104 8.745 ( 15.145 15.571 0.000) 21.721 9.168 ( -0.981 0.385 0.000) 1.054 9.355 ( 8.441 8.539 0.000) 12.006 9.469 ( -2.861 1.346 0.000) 3.162 9.572 ( 4.708 -4.818 0.000) 6.737 9.640 ( -4.965 -3.389 0.000) 6.012 9.819 ( -1.325 -0.312 0.000) 1.361 9.928 ( -3.288 -4.018 0.000) 5.192 9.968 ( -11.419 2.910 0.000) 11.784 10.125 ( 2.475 3.213 0.000) 4.056 10.221 ( -3.516 -11.052 0.000) 11.598 10.320 ( 3.811 -8.237 0.000) 9.076 10.557 ( -4.469 -0.324 0.000) 4.480 11.101 ( -7.215 -10.090 0.000) 12.404 11.294 ( -11.330 -2.653 0.000) 11.637 11.391 ( 2.866 4.302 0.000) 5.169 11.473 ( -4.486 0.025 0.000) 4.486 11.631 ( 13.158 0.822 0.000) 13.184 11.879 ( -8.011 -4.635 0.000) 9.255 11.943 ( -4.939 -6.754 0.000) 8.367 12.149 ( -2.409 -0.094 0.000) 2.411 12.233 ( 2.203 -4.235 0.000) 4.774 12.264 ( -1.165 -1.919 0.000) 2.245 12.448 ( -3.505 -1.102 0.000) 3.674 12.761 ( -3.742 -3.486 0.000) 5.114 12.885 ( 6.312 17.175 0.000) 18.298 13.061 ( 9.795 5.248 0.000) 11.113 13.136 ( 5.506 2.945 0.000) 6.244 13.623 ( 0.023 -0.421 0.000) 0.421 13.681 ( 1.239 3.845 0.000) 4.039 13.796 ( 1.427 -4.329 0.000) 4.558 14.165 ( 0.815 3.510 0.000) 3.604 14.801 ( -5.839 -6.740 0.000) 8.918 14.894 ( 5.387 5.747 0.000) 7.877 14.901 ( -7.507 -8.045 0.000) 11.003 15.100 ( -6.945 -8.592 0.000) 11.048 15.168 ( -3.537 -6.732 0.000) 7.604 15.571 ( -2.738 6.243 0.000) 6.817 15.798 ( -1.005 -4.834 0.000) 4.937 15.963 ( 2.460 0.574 0.000) 2.526 15.973 ( -0.114 -1.071 0.000) 1.077 16.956 ( -7.371 -9.339 0.000) 11.897 17.645 ( 0.185 0.617 0.000) 0.644 17.655 ( -0.251 -0.721 0.000) 0.763 17.745 ( 0.872 2.922 0.000) 3.049 18.034 ( 1.143 4.852 0.000) 4.985 18.120 ( 11.097 6.581 0.000) 12.902 18.447 ( 1.849 1.875 0.000) 2.634 18.527 ( 4.120 4.565 0.000) 6.150 18.607 ( 0.368 5.616 0.000) 5.628 18.682 ( 6.368 3.419 0.000) 7.228 19.386 ( -2.803 -3.665 0.000) 4.614 19.470 ( -2.530 -1.608 0.000) 2.998 20.384 ( -13.328 -15.388 0.000) 20.358 ======================= Grid point 14 (9/42) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 22.151 13.826 0.000) 26.112 2.211 ( 16.052 15.440 0.000) 22.273 2.849 ( 7.195 2.826 0.000) 7.730 2.884 ( 5.164 6.464 0.000) 8.274 2.905 ( -1.329 -0.015 0.000) 1.329 2.934 ( 6.727 6.610 0.000) 9.431 3.297 ( 4.606 5.476 0.000) 7.155 3.312 ( 0.655 2.992 0.000) 3.063 3.406 ( -12.678 -12.759 0.000) 17.987 3.449 ( -13.851 -15.327 0.000) 20.659 3.699 ( 7.795 7.313 0.000) 10.688 3.764 ( 1.143 -4.255 0.000) 4.406 3.835 ( 7.187 7.560 0.000) 10.431 3.909 ( -2.059 1.366 0.000) 2.471 4.043 ( 6.126 0.690 0.000) 6.164 4.211 ( 5.212 3.920 0.000) 6.521 4.607 ( -12.093 -2.242 0.000) 12.299 4.680 ( -8.158 -7.528 0.000) 11.100 4.760 ( -11.969 -8.436 0.000) 14.643 4.926 ( -7.842 -11.880 0.000) 14.235 4.984 ( -12.591 -11.735 0.000) 17.212 5.020 ( 5.444 -2.964 0.000) 6.199 5.353 ( -14.580 2.004 0.000) 14.717 5.444 ( 18.948 15.319 0.000) 24.366 5.807 ( 14.122 18.750 0.000) 23.473 5.929 ( 10.287 -0.399 0.000) 10.295 6.458 ( 4.824 5.217 0.000) 7.106 6.745 ( -5.042 1.104 0.000) 5.161 6.849 ( -7.740 -4.796 0.000) 9.105 7.035 ( -5.520 -6.159 0.000) 8.271 7.297 ( -14.438 0.279 0.000) 14.441 7.333 ( -4.889 -1.694 0.000) 5.175 7.475 ( -2.993 -5.957 0.000) 6.666 7.593 ( -0.648 -3.035 0.000) 3.103 7.909 ( 10.345 -5.166 0.000) 11.563 8.039 ( 2.421 -0.027 0.000) 2.421 9.137 ( 13.146 9.205 0.000) 16.048 9.184 ( 2.823 5.366 0.000) 6.064 9.415 ( 1.017 -1.968 0.000) 2.215 9.526 ( -4.178 -1.899 0.000) 4.589 9.589 ( 4.949 4.391 0.000) 6.616 9.670 ( 4.869 0.387 0.000) 4.884 9.777 ( -2.663 4.352 0.000) 5.102 9.822 ( -6.679 3.200 0.000) 7.406 9.859 ( -1.519 -2.218 0.000) 2.688 10.115 ( -1.363 -4.312 0.000) 4.523 10.211 ( 0.793 0.637 0.000) 1.017 10.225 ( -0.660 -3.283 0.000) 3.348 10.548 ( 0.166 -0.000 0.000) 0.166 10.883 ( -9.360 -8.014 0.000) 12.322 11.040 ( -10.366 -4.739 0.000) 11.398 11.341 ( -2.742 -2.002 0.000) 3.395 11.546 ( -0.857 -0.050 0.000) 0.859 11.663 ( -6.005 -3.849 0.000) 7.132 11.833 ( -0.495 0.993 0.000) 1.109 11.935 ( 13.205 4.741 0.000) 14.030 12.053 ( -4.359 -3.708 0.000) 5.722 12.233 ( 1.788 -3.503 0.000) 3.933 12.290 ( 2.921 2.269 0.000) 3.698 12.373 ( -3.055 -2.276 0.000) 3.809 12.666 ( -4.044 -2.357 0.000) 4.680 12.859 ( -6.840 -9.319 0.000) 11.560 13.161 ( 2.819 14.097 0.000) 14.376 13.477 ( 4.160 5.711 0.000) 7.066 13.612 ( 3.609 -2.163 0.000) 4.207 13.775 ( 9.235 4.816 0.000) 10.415 13.864 ( 7.394 0.587 0.000) 7.417 14.219 ( 1.504 3.753 0.000) 4.043 14.614 ( -7.725 -6.789 0.000) 10.284 14.714 ( -6.721 -4.910 0.000) 8.323 14.808 ( -7.886 -10.910 0.000) 13.462 14.900 ( -6.948 -7.857 0.000) 10.488 15.235 ( 7.090 5.576 0.000) 9.020 15.543 ( -6.974 5.604 0.000) 8.946 15.727 ( -2.915 -2.908 0.000) 4.118 15.921 ( -1.727 -1.858 0.000) 2.537 16.079 ( 8.835 -0.172 0.000) 8.837 16.731 ( -7.866 -9.859 0.000) 12.613 17.641 ( -0.542 -0.634 0.000) 0.834 17.643 ( -0.494 0.017 0.000) 0.494 17.792 ( 2.085 0.907 0.000) 2.274 18.090 ( -0.460 5.444 0.000) 5.463 18.355 ( 9.368 3.944 0.000) 10.164 18.499 ( 1.847 1.437 0.000) 2.340 18.655 ( 1.005 6.773 0.000) 6.847 18.700 ( 7.258 6.473 0.000) 9.725 18.834 ( 7.573 3.646 0.000) 8.405 19.285 ( -4.241 -4.649 0.000) 6.293 19.396 ( -3.473 -1.923 0.000) 3.970 19.990 ( -15.370 -14.844 0.000) 21.368 ======================= Grid point 15 (10/42) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 22.533 9.610 0.000) 24.497 2.558 ( 10.282 9.108 0.000) 13.735 2.807 ( -5.912 -2.486 0.000) 6.414 2.902 ( -5.436 -2.746 0.000) 6.090 2.994 ( -1.750 0.099 0.000) 1.752 3.056 ( -8.264 -8.351 0.000) 11.749 3.113 ( 0.808 -2.862 0.000) 2.974 3.205 ( 8.487 -0.554 0.000) 8.505 3.326 ( 0.014 -1.222 0.000) 1.222 3.353 ( 0.808 0.711 0.000) 1.076 3.524 ( -6.803 -8.966 0.000) 11.255 3.668 ( -5.450 -4.804 0.000) 7.265 4.022 ( 3.823 8.934 0.000) 9.718 4.229 ( 11.761 6.352 0.000) 13.367 4.371 ( 4.639 3.622 0.000) 5.885 4.417 ( 10.721 13.102 0.000) 16.929 4.434 ( 7.736 10.740 0.000) 13.236 4.486 ( -9.003 -8.313 0.000) 12.254 4.519 ( -4.540 -3.555 0.000) 5.766 4.655 ( -11.357 -10.045 0.000) 15.162 4.758 ( -3.109 -4.969 0.000) 5.861 4.969 ( -22.933 -3.585 0.000) 23.212 5.068 ( 1.261 -5.456 0.000) 5.600 5.936 ( 14.535 4.481 0.000) 15.210 6.008 ( 12.826 3.251 0.000) 13.232 6.285 ( 11.765 21.861 0.000) 24.826 6.392 ( -12.757 -7.735 0.000) 14.919 6.642 ( -17.010 5.217 0.000) 17.792 6.761 ( 3.412 -0.156 0.000) 3.415 6.900 ( -2.983 -3.869 0.000) 4.886 7.093 ( -8.497 2.081 0.000) 8.748 7.270 ( -2.231 0.266 0.000) 2.247 7.363 ( -1.792 -5.371 0.000) 5.662 7.570 ( 1.764 -3.961 0.000) 4.336 7.990 ( 5.716 -6.278 0.000) 8.490 8.084 ( 3.996 -3.098 0.000) 5.056 9.219 ( 0.330 3.477 0.000) 3.493 9.421 ( 1.235 -0.846 0.000) 1.497 9.442 ( 7.603 2.795 0.000) 8.101 9.462 ( -0.678 0.056 0.000) 0.680 9.609 ( -2.250 -4.010 0.000) 4.599 9.691 ( 1.860 3.922 0.000) 4.340 9.756 ( -3.176 0.976 0.000) 3.323 9.839 ( -0.152 0.679 0.000) 0.695 9.918 ( 2.338 8.341 0.000) 8.662 10.056 ( -3.108 0.251 0.000) 3.118 10.124 ( -1.371 -2.025 0.000) 2.446 10.346 ( 5.101 4.905 0.000) 7.077 10.519 ( -2.010 -0.939 0.000) 2.218 10.634 ( -10.473 -4.122 0.000) 11.255 10.904 ( -2.449 -1.990 0.000) 3.156 11.332 ( 2.614 -0.706 0.000) 2.708 11.431 ( -2.935 -6.326 0.000) 6.974 11.537 ( -4.468 -2.313 0.000) 5.031 11.925 ( 2.091 5.204 0.000) 5.609 11.956 ( -1.431 -2.702 0.000) 3.058 12.194 ( 9.118 3.542 0.000) 9.782 12.242 ( 2.515 -1.959 0.000) 3.188 12.295 ( -1.450 -3.156 0.000) 3.473 12.371 ( 1.499 2.407 0.000) 2.835 12.592 ( -1.500 -1.720 0.000) 2.283 12.662 ( -5.754 -6.621 0.000) 8.772 13.295 ( -0.155 8.214 0.000) 8.215 13.465 ( -2.286 -0.043 0.000) 2.287 13.644 ( -0.444 1.649 0.000) 1.708 13.946 ( 5.454 -1.250 0.000) 5.596 14.103 ( 15.495 1.855 0.000) 15.606 14.294 ( 3.291 3.606 0.000) 4.882 14.438 ( -6.013 -3.970 0.000) 7.205 14.523 ( -7.888 -11.299 0.000) 13.780 14.626 ( -3.765 -0.628 0.000) 3.817 14.743 ( -2.991 -4.965 0.000) 5.796 15.384 ( 4.195 3.436 0.000) 5.423 15.479 ( -5.707 4.675 0.000) 7.378 15.654 ( -3.315 0.148 0.000) 3.318 15.886 ( -0.555 -1.069 0.000) 1.204 16.240 ( 9.276 -0.399 0.000) 9.285 16.519 ( -5.203 -9.190 0.000) 10.561 17.629 ( -0.498 0.121 0.000) 0.512 17.637 ( 0.195 -0.736 0.000) 0.761 17.823 ( 1.460 -0.787 0.000) 1.659 18.121 ( -2.087 5.263 0.000) 5.662 18.490 ( 3.633 1.090 0.000) 3.793 18.528 ( 0.169 1.020 0.000) 1.034 18.704 ( -1.315 4.916 0.000) 5.089 18.906 ( 6.326 5.063 0.000) 8.102 19.002 ( 7.624 3.914 0.000) 8.570 19.156 ( -5.644 -4.801 0.000) 7.410 19.371 ( 3.749 0.885 0.000) 3.852 19.609 ( -13.069 -11.958 0.000) 17.715 ======================= Grid point 23 (11/42) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 11.638 20.158 0.000) 23.277 2.149 ( 11.656 20.188 0.000) 23.311 2.784 ( 4.767 8.258 0.000) 9.535 2.891 ( 4.957 8.586 0.000) 9.914 2.898 ( 2.322 4.022 0.000) 4.644 2.922 ( 0.429 0.743 0.000) 0.858 3.277 ( 7.121 12.333 0.000) 14.241 3.333 ( 0.614 1.064 0.000) 1.229 3.455 ( -9.361 -16.214 0.000) 18.722 3.490 ( -11.688 -20.244 0.000) 23.375 3.672 ( 10.494 18.177 0.000) 20.989 3.712 ( -4.186 -7.251 0.000) 8.373 3.809 ( 4.968 8.605 0.000) 9.936 3.959 ( -4.135 -7.162 0.000) 8.271 3.971 ( 2.605 4.511 0.000) 5.209 4.187 ( 1.975 3.421 0.000) 3.950 4.677 ( -6.415 -11.111 0.000) 12.830 4.809 ( -5.892 -10.206 0.000) 11.785 4.853 ( -1.820 -3.151 0.000) 3.639 4.878 ( -5.684 -9.845 0.000) 11.368 4.913 ( -5.308 -9.193 0.000) 10.616 5.039 ( -8.748 -15.153 0.000) 17.497 5.323 ( 13.189 22.844 0.000) 26.378 5.652 ( -1.116 -1.932 0.000) 2.231 5.678 ( 0.243 0.421 0.000) 0.486 5.812 ( 13.423 23.250 0.000) 26.846 6.442 ( 4.208 7.288 0.000) 8.415 6.802 ( 0.880 1.525 0.000) 1.760 6.884 ( -4.581 -7.935 0.000) 9.163 7.081 ( -3.639 -6.303 0.000) 7.278 7.302 ( -4.610 -7.984 0.000) 9.219 7.501 ( -2.571 -4.453 0.000) 5.141 7.522 ( -2.013 -3.487 0.000) 4.026 7.641 ( -0.531 -0.920 0.000) 1.063 7.649 ( -1.220 -2.113 0.000) 2.440 8.016 ( -0.500 -0.866 0.000) 1.000 9.058 ( 8.923 15.455 0.000) 17.846 9.198 ( 1.870 3.239 0.000) 3.740 9.392 ( -0.642 -1.113 0.000) 1.285 9.559 ( -1.458 -2.525 0.000) 2.915 9.580 ( 2.402 4.161 0.000) 4.805 9.610 ( 3.543 6.136 0.000) 7.085 9.828 ( 0.539 0.933 0.000) 1.078 9.860 ( -1.342 -2.324 0.000) 2.683 9.919 ( -2.966 -5.137 0.000) 5.932 10.143 ( 0.175 0.303 0.000) 0.350 10.150 ( -0.845 -1.463 0.000) 1.689 10.210 ( 0.142 0.245 0.000) 0.283 10.547 ( -0.397 -0.688 0.000) 0.795 10.916 ( -5.278 -9.142 0.000) 10.557 11.118 ( -6.529 -11.308 0.000) 13.058 11.364 ( -2.109 -3.653 0.000) 4.218 11.570 ( -0.928 -1.607 0.000) 1.855 11.689 ( 0.661 1.145 0.000) 1.323 11.828 ( 1.957 3.390 0.000) 3.914 11.846 ( 0.847 1.467 0.000) 1.694 12.093 ( -3.430 -5.941 0.000) 6.860 12.169 ( -0.848 -1.469 0.000) 1.696 12.273 ( 1.924 3.332 0.000) 3.848 12.393 ( -2.380 -4.122 0.000) 4.760 12.693 ( -2.053 -3.556 0.000) 4.106 12.868 ( -5.638 -9.766 0.000) 11.277 13.272 ( 6.480 11.223 0.000) 12.959 13.387 ( 10.012 17.341 0.000) 20.024 13.571 ( -2.624 -4.545 0.000) 5.248 13.765 ( 1.272 2.204 0.000) 2.544 13.766 ( 2.290 3.967 0.000) 4.581 14.229 ( 1.733 3.001 0.000) 3.465 14.647 ( -4.965 -8.599 0.000) 9.930 14.754 ( -3.761 -6.515 0.000) 7.523 14.814 ( -7.038 -12.190 0.000) 14.076 14.919 ( -5.623 -9.739 0.000) 11.246 15.199 ( 4.510 7.812 0.000) 9.020 15.693 ( -2.897 -5.018 0.000) 5.794 15.707 ( 3.421 5.926 0.000) 6.842 15.930 ( -1.263 -2.188 0.000) 2.527 15.970 ( 0.153 0.264 0.000) 0.305 16.748 ( -6.809 -11.793 0.000) 13.617 17.636 ( -0.580 -1.004 0.000) 1.159 17.659 ( 0.171 0.297 0.000) 0.342 17.770 ( 0.206 0.356 0.000) 0.411 18.163 ( 3.638 6.301 0.000) 7.276 18.251 ( 4.510 7.812 0.000) 9.020 18.491 ( 1.485 2.571 0.000) 2.969 18.659 ( 5.025 8.704 0.000) 10.050 18.725 ( 3.082 5.338 0.000) 6.164 18.755 ( 3.006 5.207 0.000) 6.012 19.298 ( -3.075 -5.326 0.000) 6.150 19.420 ( -2.005 -3.472 0.000) 4.010 20.049 ( -10.745 -18.611 0.000) 21.490 ======================= Grid point 24 (12/42) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 15.925 13.476 0.000) 20.862 2.494 ( 9.670 13.112 0.000) 16.292 2.857 ( -1.955 -1.375 0.000) 2.390 2.934 ( 0.946 1.851 0.000) 2.079 3.010 ( 2.064 4.826 0.000) 5.249 3.033 ( 3.506 1.679 0.000) 3.887 3.120 ( -9.879 -13.407 0.000) 16.653 3.146 ( -5.740 -11.636 0.000) 12.975 3.320 ( -1.344 -2.386 0.000) 2.738 3.343 ( 1.070 0.864 0.000) 1.375 3.525 ( -5.047 -9.702 0.000) 10.936 3.698 ( -5.310 -7.676 0.000) 9.333 4.039 ( 6.478 12.106 0.000) 13.731 4.121 ( 7.333 5.958 0.000) 9.448 4.294 ( 5.645 4.680 0.000) 7.333 4.332 ( 20.256 30.709 0.000) 36.788 4.499 ( -4.116 -6.532 0.000) 7.721 4.556 ( -9.098 -9.220 0.000) 12.953 4.645 ( -12.729 -1.549 0.000) 12.823 4.713 ( -6.307 -9.160 0.000) 11.121 4.763 ( -6.672 -10.342 0.000) 12.307 4.889 ( 6.228 -9.280 0.000) 11.176 5.391 ( -22.647 1.910 0.000) 22.728 5.737 ( 11.490 -6.437 0.000) 13.171 5.817 ( 15.560 13.753 0.000) 20.767 6.308 ( 14.172 26.434 0.000) 29.994 6.516 ( -4.107 0.568 0.000) 4.147 6.734 ( -3.246 -4.898 0.000) 5.875 6.864 ( -0.747 8.115 0.000) 8.149 6.940 ( -6.021 -3.288 0.000) 6.860 7.189 ( 2.496 -10.955 0.000) 11.235 7.331 ( -14.483 1.405 0.000) 14.551 7.408 ( -7.439 -3.149 0.000) 8.078 7.539 ( -2.013 -0.990 0.000) 2.243 7.751 ( 11.721 -11.012 0.000) 16.083 7.997 ( 1.306 -3.507 0.000) 3.742 9.239 ( 2.356 4.699 0.000) 5.257 9.354 ( 7.119 8.053 0.000) 10.749 9.394 ( 1.254 0.128 0.000) 1.260 9.495 ( -2.578 -1.673 0.000) 3.074 9.610 ( -2.770 -4.667 0.000) 5.427 9.674 ( 3.314 3.752 0.000) 5.006 9.791 ( -1.845 -2.790 0.000) 3.345 9.857 ( 0.765 2.232 0.000) 2.359 9.990 ( 1.583 11.360 0.000) 11.469 10.099 ( 0.778 -1.665 0.000) 1.837 10.144 ( -3.369 3.329 0.000) 4.736 10.301 ( 5.741 4.134 0.000) 7.075 10.527 ( -0.724 -1.811 0.000) 1.951 10.731 ( -6.927 -7.513 0.000) 10.219 10.935 ( -4.502 -5.083 0.000) 6.790 11.315 ( -1.173 -1.176 0.000) 1.661 11.416 ( -4.968 -9.243 0.000) 10.493 11.587 ( -5.127 -5.509 0.000) 7.525 11.932 ( 0.023 0.491 0.000) 0.491 11.977 ( 1.112 5.654 0.000) 5.763 12.073 ( 8.869 6.147 0.000) 10.791 12.165 ( 2.676 -2.603 0.000) 3.734 12.303 ( -2.924 -3.865 0.000) 4.846 12.357 ( 2.732 3.153 0.000) 4.172 12.622 ( -3.295 -2.358 0.000) 4.052 12.678 ( -5.073 -8.736 0.000) 10.102 13.404 ( -1.085 9.413 0.000) 9.475 13.483 ( -2.138 -3.306 0.000) 3.937 13.674 ( 4.801 8.040 0.000) 9.365 13.824 ( 4.310 0.618 0.000) 4.354 13.894 ( 10.415 2.146 0.000) 10.634 14.285 ( 1.723 2.950 0.000) 3.416 14.484 ( -5.364 -6.844 0.000) 8.696 14.543 ( -8.558 -13.171 0.000) 15.707 14.664 ( -2.243 -2.171 0.000) 3.121 14.744 ( -4.353 -7.451 0.000) 8.630 15.350 ( 4.590 5.738 0.000) 7.348 15.589 ( -4.268 -2.364 0.000) 4.879 15.771 ( -4.957 8.571 0.000) 9.901 15.888 ( -1.393 -1.276 0.000) 1.889 16.045 ( 10.590 -2.767 0.000) 10.946 16.513 ( -6.748 -12.374 0.000) 14.094 17.623 ( 0.046 -0.606 0.000) 0.608 17.651 ( -1.180 0.158 0.000) 1.190 17.778 ( 1.510 -1.652 0.000) 2.238 18.240 ( -2.518 8.868 0.000) 9.218 18.413 ( 7.149 2.450 0.000) 7.557 18.533 ( 0.726 1.632 0.000) 1.786 18.790 ( -1.385 6.912 0.000) 7.049 18.849 ( 6.648 8.125 0.000) 10.498 18.904 ( 8.438 4.144 0.000) 9.401 19.183 ( -3.963 -5.798 0.000) 7.023 19.351 ( -1.605 -2.603 0.000) 3.058 19.685 ( -11.732 -16.109 0.000) 19.928 ======================= Grid point 25 (13/42) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 1.444 -2.500 0.000) 2.887 2.696 ( -1.278 2.214 0.000) 2.557 2.703 ( 0.650 -1.126 0.000) 1.300 2.815 ( -0.823 1.426 0.000) 1.647 3.000 ( 3.799 -6.579 0.000) 7.597 3.009 ( -0.880 1.524 0.000) 1.759 3.035 ( -0.116 0.201 0.000) 0.232 3.196 ( 2.177 -3.770 0.000) 4.353 3.287 ( 0.766 -1.327 0.000) 1.533 3.317 ( -0.512 0.887 0.000) 1.025 3.474 ( 0.307 -0.531 0.000) 0.613 3.570 ( 2.472 -4.282 0.000) 4.945 4.205 ( -4.577 7.928 0.000) 9.155 4.288 ( 1.543 -2.672 0.000) 3.085 4.357 ( -0.072 0.124 0.000) 0.143 4.429 ( 1.439 -2.492 0.000) 2.877 4.443 ( -2.271 3.934 0.000) 4.543 4.466 ( 1.916 -3.318 0.000) 3.832 4.530 ( -0.796 1.379 0.000) 1.592 4.672 ( 2.282 -3.952 0.000) 4.563 4.878 ( 3.381 -5.857 0.000) 6.763 4.918 ( -7.598 13.160 0.000) 15.196 4.974 ( -4.582 7.937 0.000) 9.165 5.779 ( 8.274 -14.332 0.000) 16.549 6.185 ( -1.882 3.259 0.000) 3.763 6.313 ( -3.481 6.030 0.000) 6.963 6.678 ( -2.007 3.477 0.000) 4.015 6.746 ( -2.696 4.669 0.000) 5.392 6.792 ( -8.417 14.578 0.000) 16.834 6.870 ( -0.740 1.281 0.000) 1.479 7.164 ( 6.149 -10.650 0.000) 12.297 7.194 ( -4.387 7.598 0.000) 8.774 7.297 ( 0.795 -1.377 0.000) 1.590 7.519 ( 0.475 -0.823 0.000) 0.951 7.799 ( 7.820 -13.544 0.000) 15.639 7.993 ( 2.812 -4.871 0.000) 5.624 9.289 ( -1.973 3.417 0.000) 3.946 9.417 ( 0.110 -0.190 0.000) 0.219 9.451 ( -0.016 0.028 0.000) 0.033 9.473 ( 0.070 -0.121 0.000) 0.140 9.537 ( 1.367 -2.367 0.000) 2.734 9.745 ( -0.230 0.398 0.000) 0.460 9.748 ( 0.037 -0.063 0.000) 0.073 9.872 ( -0.646 1.118 0.000) 1.291 10.054 ( -2.580 4.468 0.000) 5.159 10.104 ( 0.260 -0.451 0.000) 0.521 10.153 ( -5.715 9.898 0.000) 11.429 10.399 ( 0.152 -0.264 0.000) 0.305 10.506 ( 0.499 -0.865 0.000) 0.998 10.606 ( -0.436 0.755 0.000) 0.872 10.875 ( 0.566 -0.981 0.000) 1.132 11.257 ( 3.092 -5.355 0.000) 6.184 11.369 ( 0.354 -0.612 0.000) 0.707 11.494 ( 1.096 -1.899 0.000) 2.192 11.901 ( 1.045 -1.810 0.000) 2.090 12.042 ( -3.369 5.835 0.000) 6.738 12.194 ( 2.021 -3.500 0.000) 4.042 12.209 ( 1.059 -1.834 0.000) 2.118 12.264 ( -0.212 0.367 0.000) 0.423 12.387 ( 0.612 -1.060 0.000) 1.224 12.544 ( 0.543 -0.941 0.000) 1.086 12.599 ( 0.659 -1.142 0.000) 1.319 13.437 ( 1.327 -2.299 0.000) 2.655 13.449 ( -4.449 7.705 0.000) 8.897 13.733 ( -3.528 6.110 0.000) 7.056 13.870 ( 3.262 -5.650 0.000) 6.524 14.077 ( 2.554 -4.423 0.000) 5.107 14.319 ( 4.312 -7.468 0.000) 8.623 14.340 ( -0.287 0.497 0.000) 0.574 14.396 ( 0.144 -0.250 0.000) 0.288 14.633 ( 0.207 -0.359 0.000) 0.414 14.667 ( 0.913 -1.581 0.000) 1.826 15.435 ( -0.884 1.531 0.000) 1.768 15.524 ( -0.155 0.268 0.000) 0.309 15.761 ( -5.811 10.065 0.000) 11.623 15.869 ( 0.278 -0.482 0.000) 0.556 16.185 ( 3.467 -6.005 0.000) 6.934 16.337 ( 4.518 -7.826 0.000) 9.036 17.624 ( 0.146 -0.253 0.000) 0.292 17.636 ( -0.261 0.453 0.000) 0.523 17.784 ( 1.511 -2.616 0.000) 3.021 18.261 ( -4.728 8.190 0.000) 9.457 18.495 ( 0.279 -0.482 0.000) 0.557 18.542 ( -0.026 0.045 0.000) 0.052 18.812 ( -3.456 5.986 0.000) 6.912 18.980 ( -1.251 2.167 0.000) 2.502 19.057 ( 1.324 -2.293 0.000) 2.648 19.070 ( -0.101 0.174 0.000) 0.201 19.389 ( 1.205 -2.087 0.000) 2.410 19.396 ( 3.603 -6.241 0.000) 7.206 ======================= Grid point 35 (14/42) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 7.148 12.380 0.000) 14.295 2.693 ( 3.719 6.442 0.000) 7.439 2.779 ( -4.404 -7.628 0.000) 8.809 2.861 ( -2.525 -4.373 0.000) 5.050 2.897 ( -4.881 -8.455 0.000) 9.763 3.015 ( 1.017 1.762 0.000) 2.035 3.041 ( -0.320 -0.554 0.000) 0.640 3.148 ( 1.176 2.036 0.000) 2.351 3.270 ( -1.063 -1.841 0.000) 2.125 3.387 ( 1.886 3.266 0.000) 3.771 3.413 ( -0.347 -0.601 0.000) 0.695 3.539 ( -4.743 -8.215 0.000) 9.486 4.226 ( 2.487 4.308 0.000) 4.974 4.295 ( 7.489 12.972 0.000) 14.979 4.379 ( 1.004 1.739 0.000) 2.008 4.402 ( -1.892 -3.277 0.000) 3.784 4.403 ( -1.693 -2.932 0.000) 3.385 4.547 ( -4.870 -8.435 0.000) 9.740 4.602 ( -3.434 -5.948 0.000) 6.868 4.605 ( -2.081 -3.605 0.000) 4.163 4.727 ( -1.764 -3.055 0.000) 3.527 4.931 ( 16.042 27.785 0.000) 32.084 5.407 ( -5.975 -10.349 0.000) 11.950 5.432 ( -5.921 -10.256 0.000) 11.843 6.173 ( 9.726 16.846 0.000) 19.452 6.493 ( -2.266 -3.926 0.000) 4.533 6.596 ( -4.289 -7.428 0.000) 8.577 6.797 ( 12.139 21.025 0.000) 24.278 6.914 ( 0.400 0.693 0.000) 0.800 6.999 ( -3.626 -6.280 0.000) 7.251 7.039 ( 3.991 6.913 0.000) 7.983 7.264 ( -4.837 -8.379 0.000) 9.675 7.366 ( -1.046 -1.811 0.000) 2.091 7.500 ( -3.869 -6.702 0.000) 7.739 7.570 ( -0.818 -1.417 0.000) 1.636 7.939 ( -1.054 -1.826 0.000) 2.108 9.332 ( 2.508 4.344 0.000) 5.016 9.403 ( -0.023 -0.041 0.000) 0.047 9.459 ( -1.085 -1.879 0.000) 2.170 9.464 ( 1.925 3.334 0.000) 3.849 9.522 ( -1.902 -3.295 0.000) 3.805 9.734 ( 1.180 2.044 0.000) 2.360 9.757 ( -0.543 -0.941 0.000) 1.087 9.877 ( -0.094 -0.162 0.000) 0.187 10.086 ( 1.183 2.049 0.000) 2.366 10.117 ( 0.254 0.439 0.000) 0.507 10.307 ( 5.548 9.609 0.000) 11.096 10.370 ( 1.506 2.609 0.000) 3.013 10.480 ( -1.811 -3.137 0.000) 3.622 10.616 ( -2.086 -3.613 0.000) 4.172 10.865 ( -1.133 -1.962 0.000) 2.265 11.201 ( -3.983 -6.899 0.000) 7.966 11.367 ( 1.556 2.696 0.000) 3.113 11.472 ( -3.185 -5.516 0.000) 6.369 11.887 ( -0.958 -1.658 0.000) 1.915 12.124 ( 2.656 4.601 0.000) 5.313 12.149 ( 0.662 1.147 0.000) 1.324 12.175 ( 0.623 1.080 0.000) 1.247 12.254 ( 1.420 2.460 0.000) 2.841 12.374 ( -1.920 -3.325 0.000) 3.839 12.553 ( -1.059 -1.834 0.000) 2.118 12.583 ( -1.248 -2.161 0.000) 2.496 13.408 ( -1.192 -2.064 0.000) 2.383 13.566 ( 3.532 6.117 0.000) 7.063 13.722 ( -1.990 -3.446 0.000) 3.979 13.893 ( 1.504 2.606 0.000) 3.009 13.971 ( 5.481 9.494 0.000) 10.962 14.251 ( -7.848 -13.593 0.000) 15.696 14.338 ( 1.497 2.593 0.000) 2.994 14.404 ( -2.145 -3.715 0.000) 4.290 14.612 ( -1.701 -2.947 0.000) 3.403 14.669 ( -0.194 -0.337 0.000) 0.389 15.446 ( 2.308 3.997 0.000) 4.616 15.527 ( -1.890 -3.274 0.000) 3.780 15.855 ( -0.231 -0.399 0.000) 0.461 15.990 ( 4.137 7.165 0.000) 8.273 16.000 ( 1.426 2.470 0.000) 2.852 16.267 ( -7.055 -12.219 0.000) 14.109 17.623 ( 0.319 0.552 0.000) 0.638 17.643 ( -0.498 -0.863 0.000) 0.997 17.752 ( -0.423 -0.733 0.000) 0.847 18.374 ( 1.992 3.451 0.000) 3.985 18.470 ( 2.183 3.781 0.000) 4.365 18.539 ( -0.768 -1.330 0.000) 1.535 18.919 ( 2.724 4.718 0.000) 5.448 18.936 ( 2.143 3.711 0.000) 4.285 19.062 ( -3.814 -6.606 0.000) 7.628 19.064 ( 5.962 10.326 0.000) 11.923 19.295 ( -2.511 -4.348 0.000) 5.021 19.402 ( -6.080 -10.532 0.000) 12.161 ======================= Grid point 109 (15/42) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 0.000 -0.000 34.858) 34.858 0.779 ( 0.000 0.000 34.858) 34.858 1.370 ( 0.000 0.000 62.273) 62.273 2.030 ( 0.000 -0.000 -19.561) 19.561 2.030 ( -0.000 -0.000 -19.561) 19.561 2.736 ( 0.000 0.000 2.423) 2.423 2.885 ( 0.000 0.000 -2.985) 2.985 3.204 ( -0.000 0.000 3.429) 3.429 3.513 ( 0.000 0.000 7.056) 7.056 3.513 ( -0.000 -0.000 7.056) 7.056 3.639 ( 0.000 0.000 -6.558) 6.558 3.767 ( -0.000 -0.000 -3.142) 3.142 3.767 ( -0.000 0.000 -3.142) 3.142 3.901 ( 0.000 0.000 -43.122) 43.122 4.751 ( -0.000 0.000 -1.758) 1.758 4.751 ( 0.000 0.000 -1.758) 1.758 4.786 ( -0.000 -0.000 -3.342) 3.342 4.786 ( -0.000 -0.000 -3.342) 3.342 5.099 ( 0.000 0.000 6.394) 6.394 5.099 ( -0.000 -0.000 6.394) 6.394 5.122 ( -0.000 0.000 6.255) 6.255 5.122 ( -0.000 -0.000 6.255) 6.255 5.751 ( 0.000 0.000 -2.861) 2.861 5.751 ( 0.000 0.000 -2.861) 2.861 5.778 ( -0.000 0.000 -3.461) 3.461 5.778 ( 0.000 0.000 -3.461) 3.461 6.438 ( 0.000 -0.000 26.138) 26.138 7.171 ( 0.000 0.000 -7.232) 7.232 7.516 ( 0.000 -0.000 -0.653) 0.653 7.527 ( -0.000 0.000 -0.546) 0.546 7.624 ( -0.000 -0.000 3.330) 3.330 7.646 ( -0.000 0.000 -0.581) 0.581 7.646 ( 0.000 0.000 -0.581) 0.581 7.656 ( -0.000 -0.000 -0.952) 0.952 7.656 ( 0.000 0.000 -0.952) 0.952 7.888 ( -0.000 0.000 -4.170) 4.170 8.041 ( 0.000 0.000 15.012) 15.012 8.937 ( 0.000 -0.000 -19.339) 19.339 9.034 ( 0.000 0.000 9.046) 9.046 9.755 ( 0.000 -0.000 -18.334) 18.334 9.828 ( -0.000 -0.000 8.707) 8.707 9.828 ( 0.000 0.000 8.707) 8.707 9.902 ( -0.000 0.000 5.055) 5.055 9.902 ( 0.000 -0.000 5.055) 5.055 10.044 ( -0.000 0.000 2.012) 2.012 10.044 ( 0.000 0.000 2.012) 2.012 10.140 ( 0.000 0.000 -0.265) 0.265 10.140 ( 0.000 0.000 -0.265) 0.265 10.871 ( 0.000 0.000 -12.777) 12.777 10.871 ( -0.000 0.000 -12.777) 12.777 11.099 ( 0.000 0.000 -16.415) 16.415 11.099 ( 0.000 0.000 -16.415) 16.415 11.841 ( 0.000 0.000 9.261) 9.261 11.841 ( 0.000 -0.000 9.261) 9.261 11.877 ( 0.000 -0.000 19.515) 19.515 12.009 ( 0.000 0.000 22.999) 22.999 12.321 ( 0.000 0.000 -5.925) 5.925 12.321 ( 0.000 -0.000 -5.925) 5.925 12.370 ( 0.000 0.000 8.903) 8.903 12.370 ( 0.000 0.000 8.903) 8.903 12.504 ( 0.000 0.000 1.290) 1.290 12.504 ( 0.000 -0.000 1.290) 1.290 12.779 ( 0.000 0.000 -14.699) 14.699 13.018 ( 0.000 -0.000 -15.408) 15.408 13.658 ( -0.000 -0.000 7.879) 7.879 13.658 ( -0.000 0.000 7.879) 7.879 14.013 ( 0.000 0.000 -5.347) 5.347 14.013 ( -0.000 -0.000 -5.347) 5.347 14.289 ( 0.000 -0.000 -0.111) 0.111 14.349 ( 0.000 0.000 -3.439) 3.439 15.490 ( -0.000 0.000 -0.979) 0.979 15.490 ( 0.000 0.000 -0.979) 0.979 15.493 ( -0.000 -0.000 -1.092) 1.092 15.493 ( -0.000 0.000 -1.092) 1.092 15.610 ( 0.000 0.000 8.520) 8.520 15.656 ( -0.000 0.000 4.347) 4.347 15.856 ( -0.000 0.000 -3.083) 3.083 15.957 ( 0.000 -0.000 -4.873) 4.873 17.636 ( -0.000 -0.000 1.061) 1.061 17.636 ( 0.000 -0.000 1.061) 1.061 17.667 ( 0.000 0.000 -0.038) 0.038 17.667 ( 0.000 0.000 -0.038) 0.038 18.419 ( 0.000 -0.000 0.389) 0.389 18.419 ( 0.000 0.000 0.389) 0.389 18.450 ( 0.000 -0.000 -0.718) 0.718 18.450 ( -0.000 0.000 -0.718) 0.718 19.458 ( 0.000 -0.000 0.831) 0.831 19.491 ( 0.000 -0.000 -0.381) 0.381 20.936 ( 0.000 -0.000 0.909) 0.909 20.992 ( -0.000 -0.000 -1.130) 1.130 ======================= Grid point 110 (16/42) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 12.340 7.124 25.460) 29.176 0.972 ( 15.504 8.951 27.598) 32.896 1.830 ( 31.447 18.156 47.414) 59.721 2.090 ( 5.104 2.947 -21.714) 22.500 2.101 ( 6.243 3.605 -18.583) 19.932 2.751 ( 1.263 0.729 2.269) 2.697 2.889 ( 0.409 0.236 -2.791) 2.831 3.200 ( -0.153 -0.089 3.470) 3.474 3.528 ( 3.001 1.733 0.366) 3.485 3.557 ( 3.064 1.769 5.420) 6.472 3.577 ( -1.902 -1.098 -3.864) 4.445 3.798 ( 2.724 1.573 -3.004) 4.349 3.956 ( 14.288 8.249 -2.587) 16.699 4.135 ( 18.214 10.516 -31.000) 37.462 4.584 ( -15.670 -9.047 -0.528) 18.101 4.591 ( -11.914 -6.879 -0.665) 13.773 4.623 ( -12.918 -7.458 -1.536) 14.995 4.635 ( -9.156 -5.286 -1.558) 10.687 5.019 ( -1.567 -0.905 8.261) 8.457 5.058 ( 2.640 1.524 8.083) 8.639 5.302 ( 6.506 3.756 0.834) 7.559 5.323 ( 7.535 4.350 1.459) 8.822 5.593 ( -11.924 -6.884 -2.881) 14.066 5.621 ( -9.189 -5.305 -4.215) 11.417 5.695 ( -8.028 -4.635 -3.207) 9.809 5.701 ( -6.570 -3.793 -3.116) 8.201 6.441 ( -0.031 -0.018 22.740) 22.740 6.957 ( -11.086 -6.400 3.010) 13.150 7.425 ( -7.667 -4.427 1.778) 9.030 7.472 ( -7.313 -4.222 1.436) 8.565 7.544 ( -0.955 -0.552 0.145) 1.113 7.554 ( -1.712 -0.988 1.076) 2.250 7.638 ( -2.471 -1.426 2.357) 3.701 7.642 ( 0.623 0.359 1.142) 1.349 7.756 ( 3.714 2.144 -1.503) 4.544 7.800 ( 3.125 1.804 0.390) 3.629 8.186 ( 11.330 6.542 9.376) 16.096 8.914 ( -1.705 -0.985 -19.049) 19.150 9.063 ( 3.158 1.823 6.815) 7.729 9.621 ( -8.917 -5.148 -15.628) 18.716 9.794 ( -2.558 -1.477 9.315) 9.772 9.821 ( -1.527 -0.882 9.372) 9.537 9.895 ( -0.528 -0.305 4.673) 4.713 10.058 ( 0.096 0.055 3.934) 3.935 10.063 ( 1.475 0.852 2.286) 2.850 10.162 ( 0.539 0.311 1.390) 1.523 10.199 ( 4.745 2.740 -1.842) 5.781 10.652 ( 27.846 16.077 -39.784) 51.153 10.795 ( -5.696 -3.289 0.998) 6.653 10.930 ( 6.627 3.826 -13.172) 15.233 10.955 ( -10.587 -6.112 -4.967) 13.195 11.155 ( 4.926 2.844 -15.271) 16.296 11.717 ( -8.403 -4.851 7.847) 12.479 11.808 ( -3.213 -1.855 9.711) 10.395 12.006 ( 5.836 3.369 7.032) 9.740 12.082 ( 3.240 1.871 9.923) 10.605 12.176 ( -8.423 -4.863 -5.111) 10.987 12.329 ( 2.204 1.272 -5.830) 6.361 12.338 ( -3.736 -2.157 7.431) 8.592 12.443 ( -4.051 -2.339 2.782) 5.442 12.462 ( 7.766 4.484 10.128) 13.527 12.532 ( 4.491 2.593 3.579) 6.301 12.763 ( -1.236 -0.713 -12.405) 12.487 13.186 ( 7.908 4.566 -23.301) 25.026 13.522 ( -7.397 -4.271 9.295) 12.624 13.674 ( 1.295 0.748 7.690) 7.834 13.924 ( -5.524 -3.189 -5.627) 8.506 14.024 ( 0.920 0.531 -5.315) 5.420 14.461 ( 12.408 7.164 1.058) 14.367 14.745 ( 20.388 11.771 -15.883) 28.399 15.329 ( -10.003 -5.775 2.073) 11.735 15.390 ( -4.733 -2.732 -2.502) 6.010 15.404 ( -6.839 -3.949 -1.187) 7.986 15.435 ( -4.949 -2.858 -1.488) 5.906 15.767 ( 5.723 3.304 0.763) 6.653 15.860 ( 16.094 9.292 -9.537) 20.889 15.870 ( 0.423 0.244 -2.378) 2.427 15.971 ( 0.913 0.527 -3.676) 3.824 17.623 ( 0.060 0.035 2.823) 2.824 17.647 ( 1.620 0.935 1.934) 2.691 17.724 ( 3.824 2.208 -0.685) 4.469 17.748 ( 6.448 3.723 -1.590) 7.614 18.416 ( 0.247 0.143 1.053) 1.091 18.425 ( 0.595 0.344 0.700) 0.981 18.474 ( 1.699 0.981 -1.000) 2.202 18.481 ( 2.623 1.514 -1.171) 3.247 19.415 ( -4.666 -2.694 4.109) 6.776 19.492 ( -0.181 -0.104 -0.896) 0.920 20.180 ( -42.407 -24.484 47.829) 68.451 20.866 ( -10.784 -6.226 -3.553) 12.950 ======================= Grid point 111 (17/42) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 24.985 14.425 4.475) 29.195 1.395 ( 21.067 12.163 18.572) 30.606 2.246 ( 8.670 5.006 -24.602) 26.561 2.299 ( 11.219 6.477 -16.006) 20.592 2.575 ( 33.117 19.120 32.978) 50.497 2.791 ( 2.283 1.318 1.747) 3.162 2.900 ( 0.439 0.253 -2.213) 2.270 3.204 ( 0.527 0.304 1.913) 2.007 3.530 ( -0.875 -0.505 -3.676) 3.812 3.665 ( 8.562 4.943 3.548) 10.504 3.692 ( 7.375 4.258 5.605) 10.195 3.882 ( 4.376 2.527 -2.089) 5.468 4.158 ( -20.299 -11.719 2.691) 23.593 4.254 ( -16.547 -9.553 2.096) 19.221 4.293 ( 3.653 2.109 -0.584) 4.259 4.307 ( -13.955 -8.057 -2.757) 16.348 4.487 ( 6.769 3.908 -3.343) 8.501 4.620 ( 21.240 12.263 -17.962) 30.400 4.962 ( -2.858 -1.650 4.147) 5.300 5.125 ( 1.931 1.115 6.313) 6.695 5.226 ( -13.147 -7.590 3.014) 15.477 5.271 ( -13.046 -7.532 0.470) 15.072 5.383 ( -2.168 -1.251 -3.824) 4.570 5.457 ( -11.261 -6.501 -3.266) 13.407 5.493 ( -11.110 -6.415 -2.673) 13.105 5.610 ( 6.245 3.605 -9.291) 11.761 6.439 ( 0.348 0.201 15.468) 15.473 6.803 ( -4.045 -2.335 -1.291) 4.845 7.266 ( -6.161 -3.557 2.232) 7.457 7.283 ( -9.043 -5.221 5.201) 11.665 7.483 ( -5.107 -2.949 -1.072) 5.994 7.518 ( -3.346 -1.932 0.130) 3.866 7.609 ( -0.169 -0.098 2.635) 2.643 7.665 ( 0.517 0.299 -0.288) 0.663 7.826 ( 3.358 1.939 -0.145) 3.880 7.887 ( 3.925 2.266 -1.802) 4.878 8.491 ( 15.282 8.823 1.459) 17.707 8.884 ( -0.468 -0.270 -16.666) 16.675 9.176 ( 6.886 3.976 -0.212) 7.954 9.444 ( -6.220 -3.591 -12.340) 14.278 9.721 ( -3.806 -2.197 10.385) 11.276 9.780 ( -1.921 -1.109 6.966) 7.310 9.876 ( -1.332 -0.769 4.823) 5.062 10.040 ( -1.748 -1.009 6.413) 6.723 10.094 ( 1.262 0.728 0.468) 1.530 10.144 ( -1.379 -0.796 8.936) 9.076 10.313 ( 4.587 2.648 -5.272) 7.473 10.642 ( -8.352 -4.822 15.341) 18.121 10.710 ( -9.840 -5.681 8.652) 14.282 10.918 ( 3.591 2.073 -23.370) 23.735 11.155 ( 9.930 5.733 -17.536) 20.951 11.305 ( 7.552 4.360 -9.781) 13.104 11.513 ( -9.179 -5.299 11.114) 15.357 11.706 ( -4.917 -2.839 8.624) 10.325 11.962 ( -6.200 -3.580 1.312) 7.279 12.011 ( -6.211 -3.586 -11.239) 13.332 12.163 ( 1.610 0.930 -2.802) 3.363 12.221 ( -6.255 -3.611 4.116) 8.313 12.330 ( -5.825 -3.363 2.192) 7.074 12.343 ( -1.347 -0.778 -9.231) 9.361 12.668 ( 10.867 6.274 3.995) 13.168 12.736 ( -0.858 -0.495 -5.695) 5.780 12.834 ( 19.381 11.190 2.448) 22.513 13.237 ( -3.808 -2.199 -9.984) 10.909 13.433 ( 0.443 0.256 -0.944) 1.074 13.701 ( 0.054 0.031 4.729) 4.730 13.823 ( -2.064 -1.191 -3.613) 4.328 14.054 ( 1.830 1.057 -5.106) 5.527 14.759 ( 12.778 7.377 2.210) 14.919 14.954 ( -1.680 -0.970 1.323) 2.348 15.098 ( -10.323 -5.960 3.656) 12.468 15.221 ( -9.021 -5.208 -1.511) 10.526 15.287 ( -7.629 -4.405 -1.482) 8.934 15.357 ( 2.763 1.595 -11.591) 12.022 15.851 ( -2.222 -1.283 -1.321) 2.886 15.864 ( 3.018 1.742 -3.077) 4.649 15.980 ( -0.293 -0.169 -1.310) 1.353 16.170 ( 9.639 5.565 -25.085) 27.443 17.651 ( 2.411 1.392 6.224) 6.818 17.709 ( 3.637 2.100 2.744) 5.017 17.820 ( 4.479 2.586 -0.589) 5.206 17.939 ( 10.257 5.922 -4.124) 12.541 18.439 ( 0.231 0.133 1.935) 1.954 18.441 ( 1.988 1.148 1.894) 2.976 18.520 ( 2.520 1.455 -0.890) 3.043 18.561 ( 4.269 2.465 -0.867) 5.005 19.167 ( -16.496 -9.524 33.808) 38.805 19.469 ( -2.095 -1.209 -1.984) 3.128 19.587 ( -11.454 -6.613 23.687) 27.130 20.544 ( -17.092 -9.868 -7.855) 21.241 ======================= Grid point 112 (18/42) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 23.738 13.705 -2.108) 27.491 1.884 ( 22.223 12.831 12.680) 28.623 2.469 ( 10.979 6.339 -22.980) 26.245 2.588 ( 14.200 8.198 -12.932) 20.882 2.847 ( 2.441 1.409 0.646) 2.892 2.900 ( -0.640 -0.370 -1.321) 1.514 3.192 ( 16.031 9.255 10.547) 21.304 3.214 ( 0.150 0.086 -0.132) 0.217 3.598 ( 10.183 5.879 6.963) 13.665 3.709 ( -16.073 -9.279 4.560) 19.111 3.759 ( -9.523 -5.498 5.113) 12.126 3.872 ( 5.412 3.124 3.792) 7.309 3.897 ( -13.374 -7.721 1.217) 15.491 3.970 ( 6.225 3.594 5.200) 8.872 4.104 ( -8.971 -5.180 -2.599) 10.680 4.118 ( 1.787 1.032 -3.497) 4.060 4.732 ( -7.700 -4.446 5.686) 10.554 4.856 ( 1.633 0.943 -0.969) 2.120 4.885 ( -11.281 -6.513 2.648) 13.292 5.004 ( 3.506 2.024 0.750) 4.118 5.107 ( -9.192 -5.307 -1.434) 10.711 5.168 ( -7.349 -4.243 -2.497) 8.846 5.270 ( 1.830 1.057 3.791) 4.340 5.321 ( 16.024 9.251 -10.440) 21.245 5.330 ( -2.781 -1.605 -3.335) 4.629 5.746 ( 5.275 3.045 -12.502) 13.907 6.474 ( 2.777 1.603 8.167) 8.774 6.727 ( -3.576 -2.065 -2.894) 5.042 7.075 ( -9.366 -5.408 6.767) 12.758 7.143 ( -5.311 -3.067 0.221) 6.137 7.335 ( -7.544 -4.356 1.632) 8.863 7.390 ( -7.179 -4.145 1.515) 8.427 7.619 ( -4.341 -2.507 1.075) 5.127 7.624 ( 0.989 0.571 1.998) 2.302 7.933 ( 5.737 3.313 -0.727) 6.665 7.959 ( 2.451 1.415 -3.163) 4.245 8.851 ( 16.512 9.533 -5.039) 19.721 8.906 ( 2.477 1.430 -12.233) 12.563 9.350 ( -2.305 -1.331 -8.756) 9.152 9.361 ( 9.113 5.261 -6.662) 12.455 9.630 ( -4.210 -2.431 10.200) 11.299 9.745 ( -0.980 -0.566 3.550) 3.726 9.821 ( -3.870 -2.235 3.635) 5.761 9.998 ( -1.153 -0.666 9.306) 9.400 10.125 ( 1.610 0.929 -3.929) 4.346 10.133 ( 0.540 0.312 16.752) 16.764 10.373 ( 0.362 0.209 -9.347) 9.356 10.438 ( -8.760 -5.058 18.454) 21.044 10.524 ( -7.390 -4.267 17.548) 19.513 10.904 ( -4.292 -2.478 -16.347) 17.081 11.328 ( -7.010 -4.047 17.422) 19.211 11.350 ( 5.205 3.005 -9.883) 11.567 11.426 ( 3.722 2.149 -0.099) 4.299 11.665 ( 2.328 1.344 -1.442) 3.050 11.793 ( -8.366 -4.830 1.997) 9.864 11.894 ( -4.383 -2.531 -14.878) 15.715 12.086 ( -4.918 -2.839 -5.579) 7.961 12.165 ( -0.716 -0.414 -7.838) 7.881 12.203 ( -4.834 -2.791 3.369) 6.520 12.295 ( -2.473 -1.428 -8.968) 9.411 12.735 ( 0.877 0.506 3.394) 3.541 12.917 ( 10.578 6.107 -1.156) 12.269 13.112 ( -5.922 -3.419 4.854) 8.386 13.265 ( 16.395 9.466 -5.165) 19.623 13.468 ( 1.551 0.895 -8.943) 9.121 13.669 ( -0.056 -0.032 -3.686) 3.686 13.865 ( 4.555 2.630 2.992) 6.051 14.108 ( 3.011 1.739 -4.481) 5.672 14.800 ( -9.729 -5.617 4.343) 12.044 14.873 ( -9.463 -5.464 4.102) 11.672 14.910 ( -3.861 -2.229 -1.523) 4.711 15.014 ( -9.114 -5.262 -1.678) 10.657 15.195 ( 3.647 2.106 2.432) 4.863 15.438 ( 2.739 1.582 -5.071) 5.976 15.777 ( -4.099 -2.367 -0.648) 4.778 15.920 ( 2.454 1.417 -9.265) 9.689 15.959 ( -1.461 -0.844 0.749) 1.846 16.288 ( 1.774 1.024 -24.251) 24.338 17.726 ( 4.184 2.416 11.029) 12.041 17.795 ( 3.722 2.149 3.451) 5.511 17.911 ( 3.451 1.993 0.786) 4.062 18.181 ( 10.637 6.141 -6.367) 13.835 18.396 ( -5.009 -2.892 11.809) 13.150 18.489 ( 1.804 1.042 0.743) 2.212 18.609 ( 6.110 3.527 0.728) 7.092 18.650 ( 2.977 1.719 4.020) 5.290 18.903 ( -4.172 -2.409 23.427) 23.917 19.397 ( -4.064 -2.347 -3.119) 5.635 19.420 ( -6.199 -3.579 7.357) 10.265 20.135 ( -18.820 -10.866 -10.140) 23.981 ======================= Grid point 113 (19/42) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 18.122 10.463 -2.428) 21.066 2.376 ( 21.373 12.340 8.022) 25.950 2.714 ( 10.110 5.837 -16.126) 19.908 2.837 ( -2.711 -1.565 -2.078) 3.757 2.884 ( 0.377 0.218 -1.695) 1.750 2.935 ( 13.605 7.855 -8.462) 17.844 3.203 ( -1.758 -1.015 -0.905) 2.222 3.281 ( -2.253 -1.301 -1.829) 3.180 3.371 ( -9.216 -5.321 3.570) 11.225 3.394 ( -17.325 -10.002 3.976) 20.396 3.643 ( -9.000 -5.196 -5.635) 11.822 3.673 ( -13.997 -8.081 -4.295) 16.723 4.103 ( 18.596 10.736 7.723) 22.819 4.139 ( 6.111 3.528 12.141) 14.042 4.206 ( 15.710 9.070 4.668) 18.731 4.274 ( 9.709 5.606 -0.149) 11.212 4.556 ( -6.040 -3.487 6.379) 9.452 4.648 ( -10.709 -6.183 0.346) 12.370 4.659 ( -8.237 -4.756 4.783) 10.646 4.835 ( -9.173 -5.296 -2.312) 10.842 4.873 ( -13.831 -7.985 2.570) 16.176 5.058 ( -12.433 -7.178 -2.307) 14.540 5.206 ( 1.313 0.758 7.892) 8.037 5.698 ( 24.915 14.385 -0.179) 28.770 5.751 ( 10.180 5.877 -12.613) 17.241 5.899 ( 14.221 8.211 -10.221) 19.342 6.515 ( -2.142 -1.237 1.658) 2.977 6.593 ( -10.045 -5.800 -2.561) 11.879 6.902 ( -3.673 -2.121 7.171) 8.332 7.008 ( -6.085 -3.513 0.952) 7.090 7.159 ( -8.152 -4.707 3.577) 10.070 7.256 ( -3.789 -2.188 -0.451) 4.399 7.510 ( -4.411 -2.547 4.949) 7.101 7.643 ( 0.649 0.375 2.246) 2.367 7.998 ( 1.102 0.636 -4.000) 4.197 8.051 ( 4.171 2.408 -2.974) 5.660 8.985 ( 3.928 2.268 -7.681) 8.920 9.201 ( 13.638 7.874 -9.757) 18.525 9.329 ( 0.122 0.071 -4.332) 4.334 9.537 ( -3.914 -2.260 8.545) 9.667 9.547 ( 6.409 3.700 -8.327) 11.140 9.724 ( -3.880 -2.240 1.646) 4.773 9.743 ( 0.987 0.570 -1.882) 2.201 10.006 ( 1.824 1.053 11.688) 11.876 10.154 ( -0.118 -0.068 -12.845) 12.846 10.157 ( 0.697 0.402 15.609) 15.630 10.266 ( -5.801 -3.349 24.404) 25.306 10.342 ( -1.552 -0.896 -7.386) 7.601 10.379 ( -5.403 -3.119 20.994) 21.901 10.761 ( -7.508 -4.335 -9.009) 12.503 11.211 ( -3.362 -1.941 21.796) 22.139 11.373 ( 1.288 0.744 3.738) 4.023 11.526 ( 1.165 0.672 -2.138) 2.526 11.618 ( -6.454 -3.726 2.642) 7.907 11.688 ( -1.203 -0.695 -12.320) 12.398 11.841 ( 0.099 0.057 -20.852) 20.852 12.012 ( -2.437 -1.407 -9.223) 9.643 12.148 ( -0.646 -0.373 -9.961) 9.989 12.160 ( 1.330 0.768 -0.563) 1.636 12.244 ( -1.885 -1.088 -8.720) 8.987 12.779 ( 3.156 1.822 11.151) 11.732 12.989 ( -5.148 -2.972 12.343) 13.700 13.122 ( 7.464 4.309 -3.567) 9.328 13.416 ( -1.161 -0.670 -4.897) 5.077 13.497 ( 1.141 0.659 -7.179) 7.299 13.834 ( 11.527 6.655 -9.881) 16.577 14.002 ( 8.147 4.704 3.003) 9.875 14.193 ( 4.684 2.704 -3.237) 6.303 14.566 ( -10.364 -5.984 2.478) 12.221 14.690 ( -12.323 -7.114 -3.127) 14.568 14.697 ( -5.872 -3.390 3.761) 7.754 14.825 ( -7.229 -4.174 -1.212) 8.435 15.352 ( 7.248 4.185 3.845) 9.210 15.462 ( -0.223 -0.128 2.151) 2.166 15.679 ( -4.439 -2.563 -0.624) 5.164 15.926 ( -1.213 -0.700 2.037) 2.472 15.982 ( 2.843 1.642 -16.460) 16.784 16.286 ( -1.210 -0.698 -19.024) 19.075 17.831 ( 4.903 2.831 16.122) 17.087 17.863 ( 2.175 1.256 3.981) 4.708 17.970 ( 1.738 1.003 5.522) 5.876 18.235 ( -7.835 -4.524 18.391) 20.496 18.386 ( 7.118 4.110 -5.722) 10.015 18.513 ( 0.330 0.191 -0.674) 0.774 18.690 ( 1.107 0.639 5.533) 5.678 18.791 ( 9.065 5.234 -0.261) 10.471 18.953 ( 6.008 3.469 4.465) 8.251 19.274 ( -6.925 -3.998 3.728) 8.822 19.316 ( -2.028 -1.171 -4.520) 5.091 19.726 ( -17.141 -9.896 -9.555) 21.978 ======================= Grid point 114 (20/42) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.600 ( -0.000 -0.000 -1.079) 1.079 2.721 ( 0.000 0.000 -1.481) 1.481 2.765 ( 0.000 0.000 -3.609) 3.609 2.806 ( -0.000 -0.000 -0.897) 0.897 2.929 ( -0.000 -0.000 -0.966) 0.966 2.981 ( 0.000 0.000 3.222) 3.222 3.150 ( -0.000 -0.000 0.474) 0.474 3.250 ( 0.000 0.000 -4.597) 4.597 3.297 ( 0.000 0.000 -3.242) 3.242 3.314 ( -0.000 -0.000 -2.339) 2.339 3.358 ( 0.000 0.000 -8.130) 8.130 3.529 ( 0.000 0.000 -7.250) 7.250 4.213 ( 0.000 0.000 12.540) 12.540 4.389 ( -0.000 -0.000 2.578) 2.578 4.402 ( 0.000 0.000 0.361) 0.361 4.434 ( 0.000 0.000 2.986) 2.986 4.506 ( 0.000 0.000 1.617) 1.617 4.599 ( -0.000 -0.000 9.299) 9.299 4.605 ( 0.000 0.000 3.756) 3.756 4.617 ( -0.000 -0.000 -0.071) 0.071 4.727 ( 0.000 0.000 4.836) 4.836 4.742 ( 0.000 0.000 -1.190) 1.190 5.222 ( 0.000 0.000 8.814) 8.814 5.818 ( 0.000 0.000 -15.414) 15.414 6.226 ( -0.000 -0.000 -1.308) 1.308 6.242 ( 0.000 0.000 -1.405) 1.405 6.291 ( 0.000 0.000 -2.872) 2.872 6.293 ( -0.000 -0.000 -2.895) 2.895 6.934 ( 0.000 0.000 2.322) 2.322 6.950 ( -0.000 -0.000 9.664) 9.664 6.996 ( 0.000 0.000 0.065) 0.065 7.217 ( 0.000 0.000 -2.501) 2.501 7.456 ( 0.000 0.000 7.508) 7.508 7.651 ( 0.000 0.000 2.453) 2.453 8.010 ( 0.000 0.000 -4.278) 4.278 8.100 ( -0.000 -0.000 -4.243) 4.243 9.039 ( 0.000 0.000 -5.463) 5.463 9.336 ( 0.000 0.000 -1.310) 1.310 9.378 ( 0.000 0.000 -11.977) 11.977 9.483 ( -0.000 -0.000 6.473) 6.473 9.614 ( 0.000 0.000 -4.770) 4.770 9.677 ( 0.000 0.000 1.059) 1.059 9.773 ( 0.000 0.000 -7.280) 7.280 10.065 ( 0.000 0.000 6.359) 6.359 10.101 ( -0.000 -0.000 16.975) 16.975 10.121 ( 0.000 0.000 -19.572) 19.572 10.246 ( 0.000 0.000 29.704) 29.704 10.298 ( 0.000 0.000 22.533) 22.533 10.346 ( 0.000 0.000 -3.893) 3.893 10.650 ( -0.000 -0.000 -5.936) 5.936 11.175 ( 0.000 0.000 23.369) 23.369 11.445 ( -0.000 -0.000 4.884) 4.884 11.457 ( 0.000 0.000 5.127) 5.127 11.539 ( 0.000 0.000 2.437) 2.437 11.685 ( 0.000 0.000 -21.161) 21.161 11.848 ( 0.000 0.000 -25.066) 25.066 11.980 ( 0.000 0.000 -7.531) 7.531 12.141 ( 0.000 0.000 -10.551) 10.551 12.191 ( 0.000 0.000 -4.330) 4.330 12.221 ( 0.000 0.000 -8.598) 8.598 12.867 ( 0.000 0.000 12.737) 12.737 12.881 ( -0.000 -0.000 16.345) 16.345 13.222 ( 0.000 0.000 -3.241) 3.241 13.377 ( 0.000 0.000 -5.767) 5.767 13.513 ( 0.000 0.000 -4.524) 4.524 13.966 ( 0.000 0.000 -6.588) 6.588 14.182 ( 0.000 0.000 -4.004) 4.004 14.292 ( 0.000 0.000 -2.099) 2.099 14.398 ( 0.000 0.000 0.862) 0.862 14.478 ( 0.000 0.000 -1.659) 1.659 14.627 ( 0.000 0.000 3.272) 3.272 14.734 ( 0.000 0.000 -0.849) 0.849 15.455 ( 0.000 0.000 4.546) 4.546 15.455 ( 0.000 0.000 4.891) 4.891 15.609 ( 0.000 0.000 -1.719) 1.719 15.912 ( 0.000 0.000 2.479) 2.479 16.021 ( 0.000 0.000 -20.363) 20.363 16.266 ( 0.000 0.000 -15.390) 15.390 17.888 ( 0.000 0.000 4.175) 4.175 17.908 ( 0.000 0.000 14.146) 14.146 17.990 ( -0.000 -0.000 22.888) 22.888 18.121 ( 0.000 0.000 6.256) 6.256 18.481 ( 0.000 0.000 -3.543) 3.543 18.505 ( 0.000 0.000 -1.967) 1.967 18.703 ( 0.000 0.000 3.984) 3.984 18.918 ( 0.000 0.000 -1.908) 1.908 19.095 ( -0.000 -0.000 2.001) 2.001 19.126 ( 0.000 0.000 2.862) 2.862 19.359 ( 0.000 0.000 -6.793) 6.793 19.438 ( -0.000 -0.000 -7.234) 7.234 ======================= Grid point 121 (21/42) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 13.889 24.057 8.625) 29.086 1.259 ( 11.082 19.195 20.822) 30.411 2.202 ( 4.817 8.342 -23.993) 25.854 2.228 ( 5.377 9.313 -16.963) 20.085 2.378 ( 19.700 34.121 36.651) 53.811 2.778 ( 1.215 2.105 1.917) 3.095 2.897 ( 0.297 0.515 -2.407) 2.480 3.203 ( 0.343 0.594 2.403) 2.499 3.538 ( -0.872 -1.511 -4.337) 4.675 3.620 ( 4.487 7.772 1.651) 9.125 3.639 ( 3.409 5.905 6.158) 9.187 3.856 ( 2.278 3.946 -2.549) 5.221 4.219 ( 8.025 13.900 -0.954) 16.079 4.310 ( -9.989 -17.301 1.311) 20.020 4.322 ( -10.601 -18.361 1.812) 21.279 4.424 ( -7.500 -12.990 -2.108) 15.147 4.450 ( -1.087 -1.882 -3.887) 4.453 4.501 ( 10.608 18.373 -20.629) 29.591 5.035 ( -0.346 -0.600 7.625) 7.657 5.056 ( -0.119 -0.206 5.392) 5.398 5.283 ( -6.100 -10.566 3.767) 12.769 5.388 ( -2.462 -4.265 2.584) 5.561 5.413 ( -5.630 -9.751 -4.258) 12.038 5.498 ( -2.222 -3.849 -7.684) 8.876 5.554 ( -1.019 -1.765 -6.355) 6.674 5.571 ( -5.870 -10.167 -2.877) 12.088 6.440 ( 0.071 0.123 17.568) 17.568 6.833 ( -2.731 -4.731 -0.080) 5.463 7.283 ( -4.898 -8.483 4.177) 10.649 7.381 ( -3.305 -5.724 4.800) 8.169 7.480 ( -1.764 -3.056 -3.204) 4.766 7.575 ( -0.817 -1.414 -1.423) 2.166 7.604 ( 0.464 0.803 1.440) 1.713 7.673 ( -1.316 -2.280 -0.248) 2.644 7.729 ( 0.818 1.417 3.711) 4.055 7.901 ( 2.596 4.496 -3.252) 6.126 8.397 ( 8.245 14.281 3.857) 16.935 8.892 ( -0.407 -0.705 -17.525) 17.544 9.137 ( 3.320 5.751 1.797) 6.880 9.485 ( -4.158 -7.202 -13.117) 15.531 9.763 ( -0.792 -1.372 11.017) 11.130 9.775 ( -2.095 -3.628 8.332) 9.326 9.888 ( -0.142 -0.245 4.639) 4.648 10.024 ( -1.614 -2.796 2.907) 4.344 10.114 ( 1.499 2.596 3.018) 4.254 10.170 ( 0.129 0.224 3.434) 3.444 10.264 ( 2.094 3.628 -0.979) 4.302 10.653 ( -4.815 -8.339 12.131) 15.489 10.765 ( -5.791 -10.031 3.050) 11.978 10.962 ( 3.687 6.385 -30.961) 31.827 11.052 ( 4.765 8.252 -11.224) 14.724 11.247 ( 4.179 7.238 -10.487) 13.409 11.577 ( -4.672 -8.093 7.097) 11.734 11.746 ( -2.555 -4.425 11.325) 12.425 11.993 ( -3.748 -6.491 -6.809) 10.126 12.062 ( -1.081 -1.873 2.331) 3.179 12.133 ( -1.610 -2.789 -1.450) 3.532 12.264 ( -1.635 -2.831 -0.972) 3.411 12.345 ( -3.331 -5.770 2.829) 7.238 12.374 ( -0.555 -0.962 -7.581) 7.662 12.658 ( 7.455 12.912 2.766) 15.163 12.662 ( 8.323 14.415 8.611) 18.741 12.747 ( -0.360 -0.624 -7.475) 7.510 13.250 ( -0.425 -0.736 -16.791) 16.813 13.435 ( -1.234 -2.138 4.472) 5.108 13.709 ( 1.508 2.612 7.448) 8.036 13.820 ( -3.413 -5.911 -5.647) 8.858 14.055 ( 1.201 2.080 -5.658) 6.147 14.678 ( 7.742 13.409 2.195) 15.639 14.950 ( 2.281 3.950 -3.040) 5.482 15.160 ( -5.994 -10.382 3.277) 12.428 15.274 ( -5.056 -8.758 -1.341) 10.201 15.302 ( -3.793 -6.570 -3.182) 8.227 15.380 ( 0.063 0.109 -9.279) 9.280 15.827 ( 0.439 0.760 -0.422) 0.974 15.877 ( 0.568 0.983 -2.186) 2.463 15.980 ( 0.068 0.118 -2.040) 2.045 16.102 ( 6.981 12.092 -23.303) 27.165 17.640 ( 1.061 1.837 4.035) 4.559 17.678 ( 1.457 2.524 4.301) 5.195 17.819 ( 3.664 6.347 -2.340) 7.693 17.862 ( 4.801 8.315 -2.462) 9.912 18.415 ( 0.189 0.328 1.999) 2.035 18.458 ( 1.570 2.719 1.157) 3.346 18.505 ( 0.990 1.716 -0.921) 2.185 18.529 ( 2.093 3.624 -1.379) 4.406 19.259 ( -8.763 -15.179 25.363) 30.830 19.478 ( -1.020 -1.767 -1.385) 2.466 19.679 ( -10.044 -17.397 34.460) 39.887 20.644 ( -9.179 -15.899 -6.786) 19.572 ======================= Grid point 122 (22/42) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 17.520 21.001 3.026) 27.516 1.682 ( 18.216 17.672 11.588) 27.901 2.396 ( 7.220 10.095 -23.873) 26.907 2.456 ( 10.667 9.263 -14.669) 20.366 2.829 ( 1.962 2.533 1.040) 3.369 2.905 ( -0.010 0.311 -1.631) 1.660 3.030 ( 19.661 23.813 20.548) 37.092 3.219 ( 0.318 1.138 0.361) 1.235 3.543 ( 2.999 3.634 0.959) 4.809 3.769 ( 4.014 2.925 5.144) 7.150 3.794 ( 4.242 4.757 7.154) 9.581 3.873 ( -11.687 -12.705 2.081) 17.388 3.939 ( -4.033 -4.756 1.633) 6.446 3.989 ( -7.212 -11.295 2.969) 13.726 4.127 ( -7.158 -9.452 -3.195) 12.279 4.176 ( -6.690 -8.924 -3.506) 11.691 4.747 ( 15.022 17.705 -0.720) 23.230 4.853 ( -4.811 4.597 0.487) 6.672 4.954 ( -3.134 -4.205 -1.251) 5.392 5.030 ( 1.524 -4.855 2.447) 5.646 5.111 ( -5.576 -3.450 -2.391) 6.979 5.169 ( -3.074 -6.231 -2.282) 7.313 5.257 ( 1.922 0.848 1.055) 2.351 5.307 ( -8.878 -11.183 -1.155) 14.325 5.464 ( -7.982 4.046 -7.578) 11.726 5.642 ( 7.965 -0.789 -10.292) 13.038 6.461 ( 1.464 2.337 10.837) 11.182 6.770 ( -2.338 -0.687 -2.666) 3.612 7.129 ( -4.242 -7.586 6.181) 10.666 7.235 ( -8.970 -2.208 4.387) 10.226 7.423 ( -1.643 -4.557 -2.355) 5.386 7.486 ( -7.983 -0.715 -1.026) 8.080 7.576 ( -3.191 -3.321 1.494) 4.842 7.649 ( 0.998 -1.556 0.681) 1.970 7.790 ( 7.302 -3.765 1.723) 8.394 7.960 ( 0.907 2.358 -3.592) 4.391 8.711 ( 12.510 13.374 -2.223) 18.447 8.905 ( 1.063 2.794 -13.618) 13.942 9.278 ( 5.782 5.442 -4.389) 9.073 9.386 ( -1.824 -0.905 -9.903) 10.110 9.684 ( -4.365 -2.081 9.780) 10.911 9.757 ( 0.225 -0.200 8.518) 8.523 9.873 ( -2.740 0.628 4.222) 5.073 9.971 ( 0.508 -4.375 3.517) 5.637 10.149 ( -0.527 3.343 2.040) 3.951 10.156 ( -2.080 1.153 8.134) 8.475 10.331 ( 2.403 -0.319 -0.773) 2.545 10.472 ( -3.418 -11.220 19.499) 22.755 10.575 ( -6.581 -6.842 8.884) 13.002 10.950 ( -4.356 -2.818 -19.883) 20.549 11.261 ( 8.854 6.852 -12.012) 16.421 11.337 ( -1.054 -3.470 8.501) 9.243 11.486 ( -1.155 4.876 -1.191) 5.150 11.650 ( -2.150 -3.366 8.977) 9.826 11.877 ( -4.535 -3.455 -7.937) 9.773 11.944 ( -6.433 -4.611 -3.574) 8.684 12.092 ( -0.261 -4.346 -2.315) 4.931 12.167 ( -3.564 -5.592 -4.432) 7.976 12.229 ( -3.301 -5.127 0.333) 6.107 12.330 ( -2.756 -1.805 -9.588) 10.139 12.745 ( -0.106 1.610 0.849) 1.823 12.893 ( 4.471 15.299 0.114) 15.939 13.047 ( 17.005 9.146 -2.320) 19.447 13.173 ( -2.332 -2.140 -0.072) 3.166 13.443 ( 1.214 0.136 -7.687) 7.783 13.701 ( -3.669 -0.903 -3.021) 4.837 13.796 ( 4.789 0.434 4.067) 6.298 14.100 ( 1.287 3.005 -5.541) 6.433 14.872 ( -5.236 -6.165 4.182) 9.105 14.902 ( 2.617 2.799 0.952) 3.949 14.954 ( -7.441 -8.143 4.016) 11.739 15.086 ( -7.109 -8.281 -1.359) 10.998 15.171 ( -1.358 -4.034 0.632) 4.303 15.454 ( 1.980 7.001 -10.869) 13.079 15.792 ( -1.648 -3.993 -0.151) 4.322 15.899 ( 0.642 0.675 -4.868) 4.956 15.968 ( -0.836 -1.197 -0.080) 1.462 16.259 ( 3.037 2.687 -25.745) 26.063 17.694 ( 2.564 2.933 7.369) 8.336 17.743 ( 3.362 1.795 6.001) 7.109 17.936 ( 1.366 8.429 -2.047) 8.780 18.064 ( 9.764 6.531 -4.963) 12.752 18.417 ( -0.819 -1.680 6.832) 7.083 18.503 ( -0.987 2.665 2.349) 3.687 18.554 ( 4.311 2.625 1.191) 5.186 18.618 ( 3.676 3.814 -0.520) 5.323 18.952 ( -7.569 -9.756 32.978) 35.214 19.413 ( -2.899 -4.498 -0.497) 5.374 19.493 ( -4.937 -3.548 7.984) 10.035 20.285 ( -14.086 -16.217 -9.626) 23.539 ======================= Grid point 123 (23/42) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 19.033 13.517 6.434) 24.215 2.170 ( 17.846 16.368 2.073) 24.304 2.627 ( 8.437 9.389 -19.612) 23.323 2.745 ( 13.020 7.358 -11.003) 18.566 2.879 ( 0.242 0.936 -0.864) 1.296 2.899 ( -0.271 1.470 -1.168) 1.897 3.218 ( -0.617 0.160 -1.332) 1.477 3.290 ( 0.015 0.227 -1.862) 1.876 3.474 ( -12.783 -12.509 4.709) 18.495 3.534 ( -13.538 -15.619 5.067) 21.281 3.699 ( -7.574 -11.175 -2.829) 13.793 3.768 ( -4.963 -5.305 -0.809) 7.310 3.945 ( 15.193 16.820 9.747) 24.673 4.065 ( 9.261 4.628 3.355) 10.883 4.097 ( 5.721 7.606 10.250) 13.988 4.184 ( 6.528 4.719 -1.953) 8.289 4.658 ( -8.900 -5.217 3.486) 10.889 4.735 ( -8.950 -5.688 3.073) 11.041 4.775 ( -11.110 -6.949 2.302) 13.305 4.913 ( -8.209 -10.324 -1.254) 13.249 4.989 ( -11.088 -10.886 1.748) 15.637 5.117 ( 4.709 -0.727 7.598) 8.969 5.270 ( -9.971 1.166 -5.816) 11.602 5.451 ( 17.048 14.027 -0.450) 22.082 5.661 ( 14.763 18.864 -10.492) 26.151 5.770 ( 10.101 2.988 -11.822) 15.834 6.528 ( 1.482 3.656 5.218) 6.541 6.714 ( -5.548 1.395 -2.509) 6.247 6.977 ( -6.810 -4.989 8.222) 11.784 7.069 ( -6.351 -3.674 2.089) 7.629 7.278 ( -12.003 -1.506 -0.501) 12.108 7.346 ( -5.925 -1.853 -0.259) 6.214 7.496 ( -0.223 -7.223 3.025) 7.834 7.627 ( -0.501 -2.254 2.121) 3.135 7.885 ( 8.328 -5.514 -1.777) 10.145 7.995 ( 2.721 -0.668 -3.833) 4.748 8.970 ( 3.097 5.392 -8.782) 10.761 9.063 ( 12.681 11.302 -7.189) 18.445 9.327 ( 0.170 -0.333 -5.378) 5.391 9.480 ( 5.321 4.891 -7.362) 10.316 9.600 ( -3.590 0.212 7.567) 8.378 9.764 ( -1.548 2.028 4.535) 5.203 9.804 ( -4.540 1.506 1.081) 4.904 9.970 ( 2.308 -1.282 6.675) 7.178 10.145 ( 0.229 0.819 13.446) 13.473 10.173 ( -0.678 2.429 -1.311) 2.843 10.284 ( -1.478 -6.120 14.885) 16.162 10.366 ( -3.100 -4.550 6.361) 8.413 10.433 ( -4.162 -2.865 8.500) 9.888 10.804 ( -5.295 -8.481 -13.131) 16.504 11.232 ( -3.366 -4.631 19.239) 20.072 11.408 ( -0.679 3.281 -2.102) 3.955 11.499 ( 0.960 2.563 -1.230) 3.001 11.657 ( 0.256 -2.813 -3.307) 4.349 11.735 ( -6.659 -1.471 -2.093) 7.133 11.846 ( -1.773 -1.434 -15.201) 15.371 12.024 ( -2.246 -3.848 -9.907) 10.863 12.096 ( 1.970 -4.241 -2.178) 5.159 12.164 ( -0.262 -1.792 -4.343) 4.706 12.261 ( -2.621 -2.599 -9.295) 10.001 12.776 ( 0.750 3.644 9.401) 10.110 13.007 ( -1.305 -2.902 8.295) 8.884 13.135 ( 0.985 11.291 -1.946) 11.500 13.399 ( 4.904 2.776 -7.274) 9.201 13.469 ( 4.711 0.965 -7.279) 8.724 13.706 ( 6.243 3.157 -7.138) 9.995 13.907 ( 6.773 2.129 4.655) 8.489 14.162 ( 2.584 3.294 -4.721) 6.310 14.663 ( -8.935 -8.206 3.175) 12.540 14.757 ( -7.697 -7.422 2.038) 10.885 14.787 ( -7.669 -8.334 -0.569) 11.339 14.889 ( -6.917 -7.416 -1.120) 10.203 15.274 ( 7.212 5.609 3.666) 9.844 15.520 ( -2.312 6.081 -2.881) 7.115 15.715 ( -2.840 -3.546 -0.476) 4.568 15.923 ( 1.841 -1.298 -6.707) 7.076 15.940 ( 0.330 -1.090 -3.244) 3.438 16.278 ( -0.071 -2.317 -21.402) 21.527 17.774 ( 3.539 2.122 11.652) 12.361 17.818 ( 3.989 1.163 7.945) 8.966 18.020 ( -1.075 8.030 -0.044) 8.101 18.277 ( 4.656 0.669 1.132) 4.838 18.309 ( -1.781 -3.292 12.924) 13.455 18.514 ( 0.307 1.111 0.715) 1.356 18.694 ( 3.541 4.846 3.059) 6.736 18.707 ( 5.104 5.253 1.144) 7.413 18.891 ( 3.863 1.164 9.263) 10.104 19.306 ( -3.725 -5.467 0.314) 6.622 19.377 ( -5.488 -2.418 0.573) 6.025 19.884 ( -15.210 -14.551 -9.976) 23.294 ======================= Grid point 124 (24/42) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 12.589 9.633 -0.734) 15.869 2.595 ( 18.261 9.645 5.713) 21.427 2.792 ( -6.194 -2.099 -1.212) 6.651 2.827 ( 4.884 4.658 -10.805) 12.739 2.887 ( -1.591 0.155 -3.047) 3.441 3.064 ( 9.816 2.698 -5.415) 11.531 3.094 ( -11.289 -10.895 3.868) 16.158 3.209 ( -0.818 -4.983 1.686) 5.324 3.254 ( 0.118 -1.525 -3.469) 3.791 3.310 ( -2.183 -1.764 -1.747) 3.305 3.450 ( -8.876 -10.769 -6.088) 15.225 3.554 ( -5.995 -5.528 -7.621) 11.162 4.231 ( 2.668 5.858 10.598) 12.400 4.266 ( 9.972 5.916 3.334) 12.065 4.381 ( 8.884 5.027 1.360) 10.298 4.488 ( 10.165 12.591 2.985) 16.455 4.509 ( -0.272 -0.008 3.416) 3.427 4.524 ( -5.283 -2.140 4.092) 7.017 4.580 ( -4.147 -2.972 5.124) 7.231 4.706 ( -10.695 -7.641 6.182) 14.525 4.735 ( -2.832 -4.624 -1.977) 5.772 4.964 ( -20.229 -2.834 -1.256) 20.465 5.167 ( 3.302 -4.873 9.006) 10.759 5.755 ( 5.403 -3.565 -14.162) 15.571 6.002 ( 19.564 15.155 0.976) 24.767 6.204 ( 14.660 21.560 -6.540) 26.880 6.426 ( -14.612 -5.408 2.271) 15.745 6.585 ( -16.272 3.380 -4.271) 17.159 6.887 ( 2.383 -0.676 8.041) 8.414 6.957 ( -3.505 -2.277 4.239) 5.953 7.086 ( -7.528 -0.371 -0.215) 7.540 7.245 ( -3.755 -0.586 -2.918) 4.792 7.435 ( 0.842 -5.285 6.647) 8.534 7.608 ( 1.584 -3.483 2.906) 4.805 7.938 ( 4.857 -6.169 -4.006) 8.815 8.037 ( 4.214 -3.990 -4.494) 7.340 9.062 ( 0.802 5.279 -5.473) 7.646 9.317 ( 4.243 2.161 -5.323) 7.142 9.340 ( 2.874 2.025 -5.751) 6.740 9.511 ( -0.790 0.631 6.197) 6.279 9.606 ( 0.244 -0.116 -5.181) 5.188 9.721 ( -3.615 3.807 1.311) 5.411 9.822 ( -0.967 6.590 -4.752) 8.181 10.025 ( 4.222 1.563 6.849) 8.196 10.120 ( -3.157 -3.048 5.922) 7.371 10.167 ( -2.980 0.511 -2.460) 3.898 10.228 ( 0.280 -0.749 25.503) 25.515 10.312 ( -0.565 -0.589 10.349) 10.381 10.351 ( -1.722 -0.825 2.317) 3.002 10.652 ( -2.794 -6.239 -8.441) 10.862 11.163 ( -0.550 -2.617 22.662) 22.819 11.414 ( 1.144 1.532 5.782) 6.090 11.484 ( -2.382 -3.368 4.880) 6.390 11.568 ( -3.803 -1.650 1.629) 4.454 11.695 ( -0.408 1.354 -20.389) 20.438 11.832 ( 0.698 -1.177 -22.602) 22.644 11.964 ( -0.095 -3.458 -8.496) 9.173 12.119 ( 1.829 -1.380 -8.967) 9.255 12.177 ( 1.991 0.109 -5.203) 5.572 12.205 ( -0.525 -2.851 -8.370) 8.858 12.840 ( 2.349 3.835 14.447) 15.131 12.930 ( -3.799 -2.154 15.569) 16.170 13.254 ( 0.371 7.879 -4.061) 8.872 13.389 ( -1.151 -1.743 -4.844) 5.275 13.532 ( -0.594 3.316 -6.235) 7.087 13.896 ( 7.813 -0.451 -8.116) 11.274 14.079 ( 10.435 2.654 0.952) 10.809 14.256 ( 4.635 3.210 -3.335) 6.550 14.447 ( -7.357 -5.968 0.754) 9.503 14.510 ( -8.042 -10.072 -1.348) 12.960 14.653 ( -3.271 -1.246 2.370) 4.227 14.737 ( -2.961 -4.517 -0.647) 5.440 15.426 ( 4.688 3.405 4.078) 7.085 15.510 ( -3.733 3.820 2.524) 5.908 15.637 ( -3.257 -0.740 -1.295) 3.582 15.907 ( -0.152 -1.221 2.033) 2.377 15.984 ( 3.331 -1.359 -18.036) 18.392 16.242 ( 0.326 -3.858 -15.751) 16.220 17.829 ( 2.064 -1.000 9.874) 10.137 17.917 ( 5.639 2.681 16.792) 17.915 18.034 ( -5.319 3.141 11.474) 13.031 18.143 ( -3.463 -2.821 8.739) 9.814 18.445 ( 5.030 2.061 -4.320) 6.943 18.517 ( -0.920 0.045 -1.461) 1.727 18.733 ( -1.153 3.826 3.187) 5.112 18.889 ( 5.663 4.489 -1.574) 7.396 19.023 ( 7.368 3.709 2.586) 8.645 19.181 ( -5.536 -5.078 2.470) 7.908 19.311 ( 1.900 0.264 -5.136) 5.483 19.519 ( -12.146 -10.977 -8.072) 18.253 ======================= Grid point 132 (25/42) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 10.577 18.320 11.749) 24.198 2.099 ( 12.498 21.647 -1.390) 25.035 2.616 ( 6.681 11.572 -20.985) 24.878 2.651 ( 6.372 11.037 -11.859) 17.409 2.881 ( 1.177 2.039 -0.500) 2.407 2.910 ( 0.447 0.774 -1.064) 1.389 3.224 ( 0.154 0.266 -1.374) 1.408 3.291 ( 0.693 1.201 -1.460) 2.013 3.535 ( -11.319 -19.605 3.863) 22.965 3.558 ( -9.340 -16.178 6.332) 19.724 3.703 ( -6.565 -11.371 -1.560) 13.223 3.775 ( 0.967 1.674 3.126) 3.675 3.906 ( 7.881 13.650 7.222) 17.337 4.003 ( 3.464 6.001 2.782) 7.466 4.087 ( 5.217 9.036 9.682) 14.234 4.152 ( 2.544 4.406 -2.873) 5.843 4.698 ( -6.045 -10.470 2.103) 12.272 4.827 ( -4.636 -8.030 -2.364) 9.569 4.854 ( -7.246 -12.551 3.187) 14.839 4.921 ( -5.290 -9.163 2.519) 10.876 5.011 ( -1.029 -1.783 8.134) 8.390 5.060 ( -6.945 -12.030 3.687) 14.372 5.295 ( 11.942 20.683 -2.428) 24.006 5.520 ( -1.374 -2.380 -10.843) 11.186 5.589 ( 4.015 6.954 -7.054) 10.688 5.661 ( 12.833 22.227 -10.606) 27.771 6.534 ( 2.779 4.813 6.737) 8.733 6.777 ( 0.669 1.159 -2.628) 2.950 6.986 ( -4.065 -7.041 8.145) 11.508 7.175 ( -3.142 -5.442 7.481) 9.771 7.301 ( -3.359 -5.818 -1.837) 6.965 7.470 ( -2.387 -4.135 -4.086) 6.284 7.475 ( -3.477 -6.023 -0.294) 6.960 7.621 ( -1.184 -2.050 -2.261) 3.273 7.714 ( -1.137 -1.969 4.965) 5.461 7.967 ( -0.634 -1.098 -4.384) 4.563 8.963 ( 5.078 8.795 -7.247) 12.476 9.018 ( 6.802 11.781 -7.294) 15.435 9.321 ( 0.268 0.463 -4.922) 4.951 9.461 ( 3.330 5.768 -8.022) 10.427 9.641 ( -0.971 -1.682 8.437) 8.658 9.783 ( 1.501 2.599 8.082) 8.622 9.889 ( -1.353 -2.343 1.145) 2.938 9.909 ( 1.012 1.753 4.888) 5.290 10.165 ( -0.083 -0.144 4.862) 4.865 10.202 ( 1.070 1.854 -0.011) 2.141 10.260 ( -4.527 -7.841 22.112) 23.894 10.333 ( -0.539 -0.934 10.223) 10.279 10.465 ( -2.483 -4.301 2.659) 5.633 10.802 ( -6.252 -10.828 -15.371) 19.814 11.239 ( -3.014 -5.220 17.681) 18.680 11.408 ( 3.598 6.233 -9.526) 11.939 11.565 ( -2.084 -3.609 9.148) 10.053 11.596 ( 1.612 2.792 -9.719) 10.240 11.812 ( -4.559 -7.897 0.168) 9.120 11.855 ( 0.225 0.390 -11.750) 11.758 12.025 ( -4.379 -7.585 -5.831) 10.523 12.043 ( -0.608 -1.052 -6.038) 6.159 12.147 ( -1.395 -2.417 -2.519) 3.760 12.274 ( -2.211 -3.830 -10.220) 11.136 12.795 ( 1.939 3.358 9.511) 10.271 13.004 ( -1.780 -3.083 7.739) 8.518 13.252 ( 5.038 8.726 -2.422) 10.363 13.290 ( 8.738 15.134 -8.323) 19.356 13.422 ( -1.163 -2.014 -7.631) 7.978 13.689 ( 0.507 0.879 -6.638) 6.715 13.849 ( 2.420 4.192 6.535) 8.132 14.159 ( 1.759 3.046 -5.772) 6.759 14.699 ( -5.927 -10.265 3.319) 12.309 14.794 ( -6.819 -11.812 -1.566) 13.729 14.802 ( -4.163 -7.210 3.597) 9.069 14.912 ( -5.435 -9.414 -0.841) 10.902 15.237 ( 4.564 7.906 3.597) 9.812 15.595 ( 3.841 6.652 -9.774) 12.431 15.706 ( -2.585 -4.477 1.403) 5.357 15.890 ( -0.644 -1.116 -6.090) 6.225 15.936 ( -1.082 -1.874 0.792) 2.305 16.264 ( -1.130 -1.957 -22.528) 22.641 17.757 ( 1.988 3.443 9.058) 9.892 17.784 ( 1.374 2.379 10.077) 10.444 18.103 ( 4.266 7.389 -3.413) 9.189 18.193 ( 4.296 7.440 -5.404) 10.149 18.320 ( -4.929 -8.538 21.767) 23.896 18.518 ( 0.458 0.794 2.007) 2.206 18.665 ( 4.587 7.944 0.670) 9.198 18.714 ( 3.318 5.746 -0.972) 6.706 18.859 ( -0.015 -0.026 13.916) 13.916 19.311 ( -3.335 -5.777 -0.157) 6.672 19.415 ( -2.766 -4.791 1.705) 5.789 19.943 ( -10.649 -18.445 -9.971) 23.517 ======================= Grid point 133 (26/42) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 14.062 12.740 8.417) 20.758 2.474 ( 10.835 14.127 -0.197) 17.805 2.807 ( 4.165 8.097 -14.272) 16.929 2.840 ( 1.542 1.249 -3.530) 4.049 2.891 ( 2.141 2.003 -3.837) 4.829 2.964 ( 3.465 4.053 -4.809) 7.181 3.161 ( -9.438 -11.996 3.738) 15.714 3.189 ( -5.612 -11.362 3.372) 13.114 3.241 ( -0.772 -2.270 -3.902) 4.580 3.326 ( -3.323 -4.775 0.347) 5.827 3.462 ( -6.503 -11.496 -5.398) 14.269 3.592 ( -6.675 -9.487 -7.210) 13.658 4.157 ( 6.933 5.754 2.876) 9.458 4.260 ( 3.854 7.401 4.097) 9.296 4.296 ( 7.476 7.990 8.240) 13.698 4.422 ( 17.023 26.120 6.290) 31.806 4.534 ( -3.944 -6.043 2.936) 7.790 4.596 ( -8.209 -8.998 2.861) 12.511 4.659 ( -7.371 -5.607 -0.750) 9.292 4.728 ( -4.596 -9.116 -1.506) 10.320 4.822 ( -10.689 -4.833 9.594) 15.155 5.015 ( 5.026 -7.751 10.424) 13.928 5.303 ( -17.916 1.638 -7.712) 19.574 5.579 ( 8.969 -7.510 -11.813) 16.626 5.873 ( 15.676 19.565 3.774) 25.352 6.188 ( 15.577 26.689 -9.041) 32.198 6.589 ( -4.405 2.262 5.404) 7.330 6.794 ( -3.430 5.827 -1.488) 6.923 6.867 ( -1.988 -5.983 7.565) 9.847 7.027 ( -7.420 -0.647 5.068) 9.009 7.238 ( 2.991 -9.501 1.465) 10.068 7.276 ( -13.566 0.298 -3.067) 13.911 7.371 ( -4.338 -5.531 -1.458) 7.179 7.569 ( -0.350 -3.478 0.379) 3.516 7.736 ( 7.935 -9.025 -0.039) 12.017 7.944 ( 1.155 -3.670 -4.748) 6.111 9.093 ( 2.895 6.699 -5.233) 8.980 9.270 ( 7.098 9.547 -6.882) 13.744 9.329 ( 0.238 0.006 -2.726) 2.736 9.507 ( 0.292 -0.466 2.538) 2.597 9.625 ( -1.735 -0.539 0.417) 1.864 9.823 ( -1.953 4.800 4.173) 6.653 9.894 ( 1.502 6.568 -0.859) 6.792 9.974 ( 3.410 2.171 4.302) 5.903 10.148 ( -2.885 -0.692 3.650) 4.704 10.181 ( 0.704 1.061 18.864) 18.907 10.227 ( 0.081 -2.018 7.804) 8.061 10.304 ( 0.519 -1.251 7.928) 8.043 10.397 ( -4.504 -0.836 -2.256) 5.106 10.603 ( -2.408 -11.155 -12.498) 16.924 11.154 ( -1.814 -3.320 21.698) 22.025 11.428 ( -2.307 -3.118 6.257) 7.361 11.503 ( -2.855 -0.703 3.931) 4.909 11.596 ( -1.488 -2.950 -3.096) 4.527 11.715 ( -0.607 0.455 -18.035) 18.051 11.837 ( -2.976 -0.686 -16.914) 17.187 11.916 ( 0.139 -6.174 -8.662) 10.638 12.062 ( 2.918 -0.037 -6.968) 7.554 12.145 ( 1.437 0.215 -5.223) 5.421 12.194 ( -2.107 -4.023 -9.513) 10.542 12.862 ( 0.852 4.625 16.094) 16.767 12.951 ( -1.148 -1.884 15.107) 15.267 13.347 ( -0.600 4.701 -4.230) 6.352 13.389 ( -1.564 2.847 -4.951) 5.922 13.554 ( 5.821 5.859 -8.989) 12.207 13.759 ( 5.941 2.155 -8.081) 10.259 13.953 ( 6.579 2.790 5.586) 9.070 14.223 ( 2.657 2.973 -5.114) 6.485 14.496 ( -6.832 -9.108 0.679) 11.405 14.536 ( -8.059 -12.414 -0.621) 14.814 14.688 ( -3.071 -3.432 1.857) 4.966 14.743 ( -4.264 -6.918 -0.237) 8.130 15.387 ( 4.652 5.594 3.553) 8.097 15.607 ( -4.200 -0.915 1.532) 4.563 15.697 ( -1.074 5.324 -5.892) 8.014 15.887 ( 2.107 -2.091 -6.485) 7.132 15.907 ( 1.061 -2.009 -3.389) 4.080 16.200 ( -1.446 -5.475 -16.954) 17.875 17.811 ( 0.630 2.035 11.745) 11.937 17.846 ( 4.337 1.414 14.070) 14.791 18.131 ( -5.970 -6.833 23.284) 24.989 18.201 ( -1.950 7.630 -3.421) 8.586 18.356 ( 7.814 2.724 -5.453) 9.910 18.531 ( -0.379 0.275 -0.603) 0.764 18.803 ( -0.007 6.377 1.166) 6.483 18.843 ( 5.631 8.267 -0.494) 10.015 18.931 ( 6.818 2.539 3.769) 8.194 19.197 ( -3.391 -5.747 0.657) 6.705 19.316 ( -3.115 -3.616 -2.284) 5.291 19.592 ( -11.090 -15.070 -8.367) 20.496 ======================= Grid point 134 (27/42) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.647 ( -0.844 1.462 1.276) 2.116 2.733 ( 0.380 -0.659 4.421) 4.486 2.739 ( -0.119 0.207 2.157) 2.170 2.843 ( -0.835 1.447 2.817) 3.275 2.899 ( -0.480 0.832 -8.284) 8.339 2.961 ( -0.112 0.194 -3.193) 3.201 3.055 ( 2.481 -4.296 2.087) 5.382 3.144 ( 3.287 -5.694 -2.932) 7.199 3.202 ( -0.327 0.567 -6.027) 6.062 3.267 ( 0.859 -1.488 -3.181) 3.616 3.363 ( 0.290 -0.503 -8.018) 8.039 3.452 ( 2.494 -4.319 -8.705) 10.032 4.301 ( 1.025 -1.775 2.949) 3.591 4.364 ( -1.774 3.073 4.159) 5.467 4.394 ( -0.173 0.299 2.993) 3.013 4.462 ( -0.142 0.246 6.289) 6.296 4.495 ( -1.190 2.061 -0.339) 2.404 4.515 ( 1.701 -2.945 5.057) 6.094 4.649 ( 2.126 -3.683 -1.974) 4.689 4.654 ( -1.337 2.316 12.428) 12.712 4.885 ( -6.345 10.990 -3.666) 13.209 4.954 ( -3.598 6.231 2.867) 7.746 5.040 ( 2.826 -4.895 8.109) 9.885 5.613 ( 6.331 -10.966 -12.709) 17.940 6.266 ( -2.832 4.905 6.254) 8.437 6.372 ( -4.602 7.970 5.353) 10.647 6.624 ( -6.569 11.378 -6.989) 14.882 6.698 ( -7.845 13.587 -6.672) 17.049 6.830 ( 2.940 -5.092 9.062) 10.802 6.946 ( -1.449 2.510 5.013) 5.790 7.161 ( -3.835 6.642 -3.054) 8.255 7.194 ( 3.479 -6.025 -1.765) 7.178 7.295 ( 4.202 -7.278 3.757) 9.206 7.549 ( 1.623 -2.812 1.325) 3.506 7.763 ( 6.573 -11.385 -2.210) 13.330 7.937 ( 2.794 -4.839 -4.982) 7.486 9.163 ( -2.551 4.419 -3.708) 6.307 9.315 ( 0.528 -0.914 -0.916) 1.398 9.389 ( -1.484 2.571 -5.580) 6.320 9.541 ( -0.352 0.609 6.662) 6.699 9.562 ( 1.320 -2.286 -3.661) 4.513 9.831 ( -3.377 5.848 2.736) 7.286 9.966 ( -3.846 6.661 -3.118) 8.299 10.056 ( 0.342 -0.592 6.738) 6.773 10.087 ( -0.723 1.252 4.440) 4.670 10.168 ( -0.310 0.536 8.778) 8.800 10.241 ( -1.047 1.813 21.033) 21.137 10.307 ( -0.299 0.518 -1.171) 1.315 10.331 ( 1.066 -1.847 -4.489) 4.970 10.534 ( 3.486 -6.038 -9.684) 11.933 11.122 ( 0.815 -1.412 22.959) 23.016 11.367 ( 2.067 -3.580 8.844) 9.763 11.482 ( -0.721 1.249 6.587) 6.743 11.550 ( 0.143 -0.248 1.011) 1.050 11.730 ( -1.138 1.970 -23.808) 23.916 11.799 ( 0.893 -1.546 -19.040) 19.124 11.890 ( 2.273 -3.938 -13.000) 13.772 12.103 ( 0.331 -0.574 -9.421) 9.444 12.129 ( 1.843 -3.191 -8.361) 9.137 12.176 ( 0.599 -1.038 -6.232) 6.346 12.899 ( -1.141 1.977 16.971) 17.123 12.927 ( -0.827 1.433 19.416) 19.486 13.355 ( 0.828 -1.434 -1.869) 2.497 13.400 ( -4.151 7.190 -4.962) 9.672 13.618 ( -2.314 4.007 -8.894) 10.026 13.837 ( 2.434 -4.216 -6.548) 8.160 14.085 ( 1.264 -2.189 2.145) 3.315 14.292 ( 0.030 -0.052 -4.174) 4.175 14.324 ( 3.555 -6.157 0.571) 7.132 14.379 ( 1.121 -1.942 -1.368) 2.627 14.641 ( 0.507 -0.878 0.791) 1.286 14.669 ( 0.943 -1.633 0.010) 1.885 15.475 ( -0.692 1.199 3.929) 4.166 15.546 ( -0.284 0.492 2.067) 2.144 15.704 ( -3.982 6.897 -4.159) 8.984 15.883 ( 0.612 -1.060 1.394) 1.855 15.938 ( 1.899 -3.290 -16.819) 17.242 16.148 ( 3.017 -5.225 -12.096) 13.518 17.825 ( -0.462 0.800 12.150) 12.185 17.927 ( 1.301 -2.254 21.273) 21.431 18.006 ( 1.130 -1.956 17.608) 17.752 18.224 ( -4.408 7.634 -3.872) 9.628 18.464 ( 0.486 -0.841 -3.110) 3.258 18.506 ( 0.436 -0.754 -3.928) 4.023 18.830 ( -3.365 5.828 1.865) 6.984 18.960 ( -1.693 2.932 -1.936) 3.900 19.081 ( 1.429 -2.475 2.499) 3.796 19.083 ( 0.478 -0.829 1.686) 1.939 19.319 ( 1.064 -1.843 -6.100) 6.461 19.328 ( 3.200 -5.543 -5.862) 8.679 ======================= Grid point 144 (28/42) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 6.399 11.083 6.938) 14.557 2.689 ( 4.234 7.334 0.331) 8.475 2.801 ( -2.883 -4.993 1.712) 6.014 2.899 ( 0.166 0.288 -5.774) 5.784 2.902 ( -2.439 -4.224 2.138) 5.325 2.959 ( 0.008 0.013 -2.361) 2.361 2.999 ( -3.234 -5.601 3.538) 7.372 3.065 ( 0.991 1.717 -6.811) 7.094 3.219 ( -0.690 -1.196 -3.254) 3.535 3.298 ( 0.854 1.479 -6.090) 6.325 3.310 ( -1.463 -2.534 -8.350) 8.848 3.420 ( -4.650 -8.055 -8.843) 12.834 4.259 ( 2.413 4.180 2.657) 5.510 4.367 ( 2.411 4.175 -1.337) 5.003 4.437 ( -0.829 -1.436 3.975) 4.307 4.440 ( -3.025 -5.239 3.000) 6.752 4.499 ( 4.899 8.486 13.161) 16.408 4.562 ( -2.880 -4.988 -1.373) 5.921 4.584 ( -1.728 -2.992 -1.482) 3.760 4.720 ( -4.520 -7.828 12.176) 15.164 4.878 ( 2.423 4.196 9.299) 10.486 4.930 ( 9.387 16.259 1.011) 18.801 5.298 ( -5.091 -8.818 -9.535) 13.950 5.361 ( -4.217 -7.304 -6.414) 10.596 6.264 ( 10.419 18.046 7.738) 22.228 6.559 ( 0.678 1.175 5.179) 5.354 6.703 ( -4.628 -8.017 9.091) 12.974 6.722 ( 10.476 18.145 -6.111) 21.825 6.914 ( 1.739 3.011 -1.500) 3.787 7.043 ( 0.591 1.023 2.071) 2.384 7.054 ( -3.686 -6.384 2.890) 7.918 7.204 ( -4.755 -8.236 -3.512) 10.138 7.308 ( -0.508 -0.880 -4.977) 5.080 7.446 ( -3.965 -6.867 -5.119) 9.438 7.630 ( -0.839 -1.454 4.824) 5.108 7.886 ( -1.005 -1.741 -4.629) 5.047 9.211 ( 2.870 4.972 -2.753) 6.367 9.302 ( -1.409 -2.440 -1.418) 3.154 9.427 ( 3.479 6.026 -5.450) 8.838 9.504 ( 0.259 0.449 2.536) 2.588 9.568 ( -2.452 -4.247 2.651) 5.574 9.907 ( 1.473 2.552 5.117) 5.905 10.001 ( 2.438 4.223 4.739) 6.800 10.041 ( 1.311 2.271 5.328) 5.939 10.153 ( 0.091 0.158 8.437) 8.439 10.166 ( -1.085 -1.879 15.257) 15.410 10.259 ( 3.635 6.296 1.210) 7.370 10.280 ( -0.741 -1.283 -3.744) 4.026 10.395 ( -1.108 -1.920 -2.460) 3.312 10.409 ( -3.756 -6.505 -12.864) 14.897 11.108 ( -0.728 -1.261 22.890) 22.936 11.330 ( -2.396 -4.150 10.441) 11.488 11.501 ( 0.353 0.612 6.744) 6.781 11.544 ( -1.366 -2.366 0.664) 2.812 11.750 ( 1.485 2.573 -24.861) 25.038 11.814 ( -1.408 -2.438 -8.055) 8.533 11.818 ( -1.362 -2.359 -24.288) 24.441 12.077 ( 0.785 1.360 -8.389) 8.535 12.118 ( -1.764 -3.055 -9.157) 9.813 12.158 ( 0.230 0.398 -7.048) 7.063 12.930 ( 1.023 1.772 20.108) 20.212 12.935 ( 0.054 0.094 18.836) 18.836 13.339 ( -0.250 -0.432 -0.251) 0.559 13.510 ( 2.835 4.910 -5.537) 7.925 13.616 ( -0.312 -0.540 -9.096) 9.117 13.811 ( 1.550 2.684 -8.558) 9.102 14.038 ( 3.918 6.786 5.017) 9.304 14.267 ( -6.988 -12.104 1.380) 14.045 14.281 ( 1.808 3.132 -4.781) 5.995 14.373 ( -3.204 -5.550 -2.587) 6.912 14.623 ( -1.592 -2.757 0.904) 3.309 14.665 ( -0.687 -1.189 -0.505) 1.463 15.480 ( 2.241 3.881 3.342) 5.591 15.555 ( -1.731 -2.998 2.761) 4.428 15.828 ( 2.561 4.435 -8.165) 9.638 15.856 ( 0.174 0.302 -10.302) 10.308 15.878 ( -0.345 -0.598 -2.175) 2.282 16.084 ( -3.130 -5.421 -10.791) 12.475 17.855 ( 0.893 1.547 16.189) 16.288 17.871 ( 1.122 1.943 16.509) 16.661 17.994 ( -3.206 -5.553 18.654) 19.726 18.341 ( 2.361 4.090 -3.523) 5.892 18.413 ( 2.337 4.047 -5.761) 7.418 18.505 ( -1.827 -3.164 -3.589) 5.122 18.928 ( 3.040 5.265 0.978) 6.158 18.968 ( 1.903 3.296 3.271) 5.018 19.031 ( 5.348 9.263 -2.714) 11.035 19.081 ( -3.633 -6.293 1.795) 7.485 19.245 ( -2.696 -4.670 -4.300) 6.897 19.330 ( -5.548 -9.609 -6.180) 12.701 ======================= Grid point 218 (29/42) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -0.000 -0.000 -29.703) 29.703 1.484 ( 0.000 0.000 -29.703) 29.703 1.484 ( 0.000 0.000 29.703) 29.703 1.484 ( -0.000 0.000 29.703) 29.703 2.661 ( -0.000 0.000 -55.136) 55.136 2.661 ( -0.000 0.000 55.136) 55.136 2.807 ( 0.000 -0.000 -3.791) 3.791 2.807 ( 0.000 -0.000 3.791) 3.791 3.474 ( 0.000 0.000 -6.554) 6.554 3.474 ( 0.000 0.000 6.554) 6.554 3.665 ( 0.000 -0.000 -6.204) 6.204 3.665 ( 0.000 0.000 -6.204) 6.204 3.665 ( -0.000 0.000 6.204) 6.204 3.665 ( -0.000 -0.000 6.204) 6.204 4.739 ( 0.000 0.000 -0.810) 0.810 4.739 ( 0.000 0.000 -0.810) 0.810 4.739 ( -0.000 0.000 0.810) 0.810 4.739 ( 0.000 -0.000 0.810) 0.810 5.197 ( 0.000 -0.000 -0.857) 0.857 5.197 ( 0.000 -0.000 -0.857) 0.857 5.197 ( 0.000 -0.000 0.857) 0.857 5.197 ( 0.000 -0.000 0.857) 0.857 5.715 ( 0.000 -0.000 -0.876) 0.876 5.715 ( 0.000 -0.000 -0.876) 0.876 5.715 ( -0.000 -0.000 0.876) 0.876 5.715 ( 0.000 0.000 0.876) 0.876 6.922 ( 0.000 -0.000 -16.767) 16.767 6.922 ( 0.000 0.000 16.767) 16.767 7.515 ( 0.000 -0.000 -0.412) 0.412 7.515 ( -0.000 0.000 0.412) 0.412 7.641 ( -0.000 -0.000 -0.235) 0.235 7.641 ( 0.000 0.000 -0.235) 0.235 7.641 ( 0.000 0.000 0.235) 0.235 7.641 ( 0.000 0.000 0.235) 0.235 7.745 ( 0.000 -0.000 -7.495) 7.495 7.745 ( 0.000 -0.000 7.495) 7.495 8.461 ( -0.000 0.000 -22.392) 22.392 8.461 ( 0.000 0.000 22.392) 22.392 9.337 ( -0.000 -0.000 -18.117) 18.117 9.337 ( 0.000 0.000 18.117) 18.117 9.970 ( 0.000 -0.000 -5.430) 5.430 9.970 ( 0.000 0.000 -5.430) 5.430 9.970 ( -0.000 0.000 5.430) 5.430 9.970 ( 0.000 -0.000 5.430) 5.430 10.108 ( 0.000 0.000 -8.853) 8.853 10.108 ( 0.000 0.000 -8.853) 8.853 10.108 ( -0.000 0.000 8.853) 8.853 10.108 ( -0.000 0.000 8.853) 8.853 10.777 ( 0.000 0.000 -8.540) 8.540 10.777 ( 0.000 -0.000 -8.540) 8.540 10.777 ( 0.000 -0.000 8.540) 8.540 10.777 ( 0.000 -0.000 8.540) 8.540 12.090 ( 0.000 0.000 -12.625) 12.625 12.090 ( 0.000 0.000 -12.625) 12.625 12.090 ( -0.000 -0.000 12.625) 12.625 12.090 ( 0.000 0.000 12.625) 12.625 12.359 ( -0.000 -0.000 -22.655) 22.655 12.359 ( -0.000 -0.000 22.655) 22.655 12.514 ( -0.000 0.000 -2.952) 2.952 12.514 ( 0.000 -0.000 -2.952) 2.952 12.514 ( 0.000 -0.000 2.952) 2.952 12.514 ( 0.000 0.000 2.952) 2.952 12.560 ( -0.000 0.000 -25.307) 25.307 12.560 ( 0.000 0.000 25.307) 25.307 13.852 ( 0.000 0.000 -8.971) 8.971 13.852 ( 0.000 -0.000 -8.971) 8.971 13.852 ( -0.000 0.000 8.971) 8.971 13.852 ( 0.000 0.000 8.971) 8.971 14.297 ( 0.000 0.000 -1.201) 1.201 14.297 ( -0.000 -0.000 1.201) 1.201 15.477 ( 0.000 0.000 -0.089) 0.089 15.477 ( 0.000 -0.000 -0.089) 0.089 15.477 ( 0.000 -0.000 0.089) 0.089 15.477 ( -0.000 0.000 0.089) 0.089 15.765 ( 0.000 0.000 -5.093) 5.093 15.765 ( -0.000 0.000 5.093) 5.093 15.807 ( -0.000 0.000 -8.616) 8.616 15.807 ( 0.000 0.000 8.616) 8.616 17.659 ( 0.000 -0.000 -0.797) 0.797 17.659 ( 0.000 0.000 -0.797) 0.797 17.659 ( 0.000 -0.000 0.797) 0.797 17.659 ( 0.000 -0.000 0.797) 0.797 18.432 ( -0.000 0.000 -0.806) 0.806 18.432 ( 0.000 0.000 -0.806) 0.806 18.432 ( -0.000 -0.000 0.806) 0.806 18.432 ( -0.000 -0.000 0.806) 0.806 19.478 ( 0.000 -0.000 -0.845) 0.845 19.478 ( 0.000 -0.000 0.845) 0.845 20.963 ( 0.000 0.000 -1.449) 1.449 20.963 ( 0.000 -0.000 1.449) 1.449 ======================= Grid point 220 (30/42) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 2.538 1.465 -31.292) 31.429 1.495 ( 2.538 1.465 31.292) 31.429 1.589 ( 9.032 5.214 -27.214) 29.144 1.589 ( 9.032 5.214 27.214) 29.144 2.816 ( 0.861 0.497 -3.520) 3.658 2.816 ( 0.861 0.497 3.520) 3.658 2.860 ( 15.412 8.898 -43.315) 46.828 2.860 ( 15.412 8.898 43.315) 46.828 3.435 ( -0.961 -0.555 -5.400) 5.513 3.435 ( -0.961 -0.555 5.400) 5.513 3.703 ( 3.369 1.945 -5.819) 7.000 3.703 ( 3.369 1.945 5.819) 7.000 3.883 ( 16.838 9.722 -2.792) 19.643 3.883 ( 16.838 9.722 2.792) 19.643 4.583 ( -12.746 -7.359 -0.307) 14.721 4.583 ( -12.746 -7.359 0.307) 14.721 4.608 ( -10.070 -5.814 -0.518) 11.640 4.608 ( -10.070 -5.814 0.518) 11.640 5.218 ( 0.089 0.051 -8.378) 8.379 5.218 ( 0.089 0.051 8.378) 8.379 5.254 ( 4.122 2.380 -8.123) 9.415 5.254 ( 4.122 2.380 8.123) 9.415 5.582 ( -10.758 -6.211 -0.347) 12.427 5.582 ( -10.758 -6.211 0.347) 12.427 5.635 ( -6.738 -3.890 -0.379) 7.790 5.635 ( -6.738 -3.890 0.379) 7.790 6.845 ( -6.123 -3.535 -12.618) 14.463 6.845 ( -6.123 -3.535 12.618) 14.463 7.468 ( -4.621 -2.668 -1.678) 5.593 7.468 ( -4.621 -2.668 1.678) 5.593 7.572 ( -3.810 -2.200 -0.789) 4.470 7.572 ( -3.810 -2.200 0.789) 4.470 7.642 ( 0.399 0.231 -0.032) 0.462 7.642 ( 0.399 0.231 0.032) 0.462 7.773 ( 2.375 1.371 -2.517) 3.722 7.773 ( 2.375 1.371 2.517) 3.722 8.493 ( 2.928 1.691 -18.086) 18.400 8.493 ( 2.928 1.691 18.086) 18.400 9.283 ( -3.364 -1.942 -13.534) 14.081 9.283 ( -3.364 -1.942 13.534) 14.081 9.939 ( -2.448 -1.413 -2.617) 3.852 9.939 ( -2.448 -1.413 2.617) 3.852 10.041 ( 1.536 0.887 -5.776) 6.042 10.041 ( 1.536 0.887 5.776) 6.042 10.140 ( 1.925 1.111 -0.724) 2.338 10.140 ( 1.925 1.111 0.724) 2.338 10.215 ( 9.768 5.640 -7.177) 13.369 10.215 ( 9.768 5.640 7.177) 13.369 10.802 ( 2.194 1.267 -3.647) 4.441 10.802 ( 2.194 1.267 3.647) 4.441 10.863 ( 7.151 4.128 -8.439) 11.806 10.863 ( 7.151 4.128 8.439) 11.806 11.940 ( -10.719 -6.188 -12.264) 17.424 11.940 ( -10.719 -6.188 12.264) 17.424 12.067 ( -2.318 -1.338 -11.984) 12.279 12.067 ( -2.318 -1.338 11.984) 12.279 12.303 ( -4.677 -2.700 -14.131) 15.127 12.303 ( -4.677 -2.700 14.131) 15.127 12.404 ( -5.166 -2.983 -9.977) 11.625 12.404 ( -5.166 -2.983 9.977) 11.625 12.568 ( 4.311 2.489 -1.115) 5.101 12.568 ( 4.311 2.489 1.115) 5.101 12.735 ( 9.387 5.420 -16.224) 19.512 12.735 ( 9.387 5.420 16.224) 19.512 13.746 ( -6.626 -3.826 -9.893) 12.507 13.746 ( -6.626 -3.826 9.893) 12.507 13.866 ( 1.238 0.715 -8.629) 8.747 13.866 ( 1.238 0.715 8.629) 8.747 14.523 ( 15.731 9.082 -5.444) 18.963 14.523 ( 15.731 9.082 5.444) 18.963 15.372 ( -7.849 -4.531 -1.750) 9.230 15.372 ( -7.849 -4.531 1.750) 9.230 15.402 ( -5.911 -3.413 -1.428) 6.974 15.402 ( -5.911 -3.413 1.428) 6.974 15.809 ( 2.368 1.367 -2.798) 3.913 15.809 ( 2.368 1.367 2.798) 3.913 15.871 ( 4.608 2.661 -4.669) 7.079 15.871 ( 4.608 2.661 4.669) 7.079 17.685 ( 2.395 1.383 -0.591) 2.828 17.685 ( 2.395 1.383 0.591) 2.828 17.703 ( 3.860 2.229 -0.621) 4.500 17.703 ( 3.860 2.229 0.621) 4.500 18.442 ( 0.827 0.477 -0.189) 0.973 18.442 ( 0.827 0.477 0.189) 0.973 18.452 ( 1.907 1.101 -0.232) 2.214 18.452 ( 1.907 1.101 0.232) 2.214 19.464 ( -1.377 -0.795 -1.646) 2.289 19.464 ( -1.377 -0.795 1.646) 2.289 20.720 ( -19.175 -11.070 -11.539) 24.967 20.720 ( -19.175 -11.070 11.539) 24.967 ======================= Grid point 222 (31/42) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( 11.628 6.713 -25.211) 28.564 1.652 ( 11.628 6.713 25.211) 28.564 1.867 ( 15.309 8.839 -21.657) 27.955 1.867 ( 15.309 8.839 21.657) 27.955 2.842 ( 1.340 0.774 -2.775) 3.178 2.842 ( 1.340 0.774 2.775) 3.178 3.187 ( 8.956 5.171 -12.993) 16.606 3.187 ( 8.956 5.171 12.993) 16.606 3.516 ( 11.138 6.431 -8.935) 15.660 3.516 ( 11.138 6.431 8.935) 15.660 3.810 ( 5.907 3.410 -4.674) 8.268 3.810 ( 5.907 3.410 4.674) 8.268 4.227 ( -16.192 -9.348 -3.522) 19.025 4.227 ( -16.192 -9.348 3.522) 19.025 4.285 ( -3.407 -1.967 -0.031) 3.934 4.285 ( -3.407 -1.967 0.031) 3.934 4.413 ( 12.967 7.486 -1.251) 15.025 4.413 ( 12.967 7.486 1.251) 15.025 5.139 ( -8.139 -4.699 -9.483) 13.351 5.139 ( -8.139 -4.699 9.483) 13.351 5.277 ( -8.377 -4.837 -1.034) 9.729 5.277 ( -8.377 -4.837 1.034) 9.729 5.370 ( -1.619 -0.935 -6.359) 6.628 5.370 ( -1.619 -0.935 6.359) 6.628 5.453 ( -7.174 -4.142 -3.055) 8.829 5.453 ( -7.174 -4.142 3.055) 8.829 6.708 ( -5.043 -2.912 -8.224) 10.077 6.708 ( -5.043 -2.912 8.224) 10.077 7.321 ( -7.702 -4.447 -1.920) 9.099 7.321 ( -7.702 -4.447 1.920) 9.099 7.504 ( -3.183 -1.838 -1.945) 4.159 7.504 ( -3.183 -1.838 1.945) 4.159 7.652 ( 0.111 0.064 -1.006) 1.014 7.652 ( 0.111 0.064 1.006) 1.014 7.840 ( 3.390 1.957 -1.708) 4.270 7.840 ( 3.390 1.957 1.708) 4.270 8.595 ( 6.281 3.626 -9.061) 11.606 8.595 ( 6.281 3.626 9.061) 11.606 9.233 ( -0.581 -0.335 -6.102) 6.139 9.233 ( -0.581 -0.335 6.102) 6.139 9.870 ( -3.556 -2.053 -0.970) 4.219 9.870 ( -3.556 -2.053 0.970) 4.219 10.027 ( -2.325 -1.342 -6.939) 7.440 10.027 ( -2.325 -1.342 6.939) 7.440 10.176 ( 1.210 0.699 -6.978) 7.117 10.176 ( 1.210 0.699 6.978) 7.117 10.409 ( 6.280 3.626 -17.795) 19.216 10.409 ( 6.280 3.626 17.795) 19.216 10.872 ( 3.788 2.187 -9.676) 10.619 10.872 ( 3.788 2.187 9.676) 10.619 11.033 ( 5.735 3.311 -15.293) 16.665 11.033 ( 5.735 3.311 15.293) 16.665 11.715 ( -7.382 -4.262 -9.442) 12.720 11.715 ( -7.382 -4.262 9.442) 12.720 11.972 ( -6.225 -3.594 -8.621) 11.225 11.972 ( -6.225 -3.594 8.621) 11.225 12.167 ( -6.872 -3.968 -4.691) 9.218 12.167 ( -6.872 -3.968 4.691) 9.218 12.288 ( -5.238 -3.024 -7.006) 9.255 12.288 ( -5.238 -3.024 7.006) 9.255 12.696 ( 6.795 3.923 -1.048) 7.916 12.696 ( 6.795 3.923 1.048) 7.916 12.940 ( 9.026 5.211 -9.442) 14.063 12.940 ( 9.026 5.211 9.442) 14.063 13.608 ( -5.487 -3.168 -9.887) 11.743 13.608 ( -5.487 -3.168 9.887) 11.743 13.908 ( 2.579 1.489 -7.762) 8.313 13.908 ( 2.579 1.489 7.762) 8.313 14.856 ( 11.333 6.543 -6.877) 14.784 14.856 ( 11.333 6.543 6.877) 14.784 15.172 ( -9.566 -5.523 -2.943) 11.431 15.172 ( -9.566 -5.523 2.943) 11.431 15.254 ( -5.677 -3.278 -0.956) 6.625 15.254 ( -5.677 -3.278 0.956) 6.625 15.830 ( -0.652 -0.376 -0.097) 0.759 15.830 ( -0.652 -0.376 0.097) 0.759 15.967 ( 3.333 1.924 -1.306) 4.064 15.967 ( 3.333 1.924 1.306) 4.064 17.765 ( 4.590 2.650 -0.750) 5.353 17.765 ( 4.590 2.650 0.750) 5.353 17.822 ( 6.571 3.794 -5.124) 9.156 17.822 ( 6.571 3.794 5.124) 9.156 18.464 ( 1.069 0.617 -0.544) 1.349 18.464 ( 1.069 0.617 0.544) 1.349 18.521 ( 4.283 2.473 -1.749) 5.245 18.521 ( 4.283 2.473 1.749) 5.245 19.407 ( -3.840 -2.217 -3.861) 5.880 19.407 ( -3.840 -2.217 3.861) 5.880 20.235 ( -22.027 -12.718 -22.546) 33.989 20.235 ( -22.027 -12.718 22.546) 33.989 ======================= Grid point 224 (32/42) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 16.959 9.791 -14.565) 24.405 1.984 ( 16.959 9.791 14.565) 24.405 2.250 ( 18.310 10.571 -15.946) 26.482 2.250 ( 18.310 10.571 15.946) 26.482 2.868 ( 0.655 0.378 -1.334) 1.533 2.868 ( 0.655 0.378 1.334) 1.533 3.251 ( -0.369 -0.213 -1.998) 2.043 3.251 ( -0.369 -0.213 1.998) 2.043 3.769 ( -9.267 -5.350 -3.348) 11.212 3.769 ( -9.267 -5.350 3.348) 11.212 3.892 ( -3.327 -1.921 -7.302) 8.251 3.892 ( -3.327 -1.921 7.302) 8.251 3.949 ( 5.594 3.230 -4.721) 8.000 3.949 ( 5.594 3.230 4.721) 8.000 4.060 ( 0.679 0.392 -0.087) 0.788 4.060 ( 0.679 0.392 0.087) 0.788 4.825 ( -1.775 -1.025 -1.966) 2.841 4.825 ( -1.775 -1.025 1.966) 2.841 4.954 ( -1.781 -1.028 -3.911) 4.418 4.954 ( -1.781 -1.028 3.911) 4.418 5.108 ( 1.930 1.114 -0.695) 2.334 5.108 ( 1.930 1.114 0.695) 2.334 5.232 ( -4.209 -2.430 -1.228) 5.013 5.232 ( -4.209 -2.430 1.228) 5.013 5.467 ( 3.769 2.176 -11.690) 12.474 5.467 ( 3.769 2.176 11.690) 12.474 6.632 ( -2.187 -1.263 -5.903) 6.420 6.632 ( -2.187 -1.263 5.903) 6.420 7.142 ( -7.971 -4.602 -0.503) 9.218 7.142 ( -7.971 -4.602 0.503) 9.218 7.399 ( -6.379 -3.683 -1.799) 7.582 7.399 ( -6.379 -3.683 1.799) 7.582 7.645 ( -0.536 -0.309 -0.749) 0.972 7.645 ( -0.536 -0.309 0.749) 0.972 7.914 ( 2.970 1.714 -0.006) 3.429 7.914 ( 2.970 1.714 0.006) 3.429 8.772 ( 9.336 5.390 -0.136) 10.781 8.772 ( 9.336 5.390 0.136) 10.781 9.264 ( 3.213 1.855 -0.976) 3.837 9.264 ( 3.213 1.855 0.976) 3.837 9.788 ( -3.573 -2.063 -1.024) 4.251 9.788 ( -3.573 -2.063 1.024) 4.251 9.948 ( -4.553 -2.629 -10.003) 11.300 9.948 ( -4.553 -2.629 10.003) 11.300 10.190 ( 0.042 0.024 -8.279) 8.279 10.190 ( 0.042 0.024 8.279) 8.279 10.493 ( 1.336 0.771 -18.627) 18.691 10.493 ( 1.336 0.771 18.627) 18.691 10.947 ( 2.022 1.167 -23.965) 24.078 10.947 ( 2.022 1.167 23.965) 24.078 11.055 ( -2.179 -1.258 -28.413) 28.524 11.055 ( -2.179 -1.258 28.413) 28.524 11.660 ( 1.189 0.686 -8.361) 8.472 11.660 ( 1.189 0.686 8.361) 8.472 11.810 ( -7.402 -4.274 -4.538) 9.677 11.810 ( -7.402 -4.274 4.538) 9.677 12.015 ( -6.201 -3.580 -2.535) 7.596 12.015 ( -6.201 -3.580 2.535) 7.596 12.173 ( -4.913 -2.836 -2.315) 6.127 12.173 ( -4.913 -2.836 2.315) 6.127 12.851 ( 6.736 3.889 -5.172) 9.341 12.851 ( 6.736 3.889 5.172) 9.341 13.146 ( 8.850 5.109 -3.287) 10.734 13.146 ( 8.850 5.109 3.287) 10.734 13.513 ( -2.359 -1.362 -8.800) 9.212 13.513 ( -2.359 -1.362 8.800) 9.212 13.984 ( 4.223 2.438 -6.508) 8.132 13.984 ( 4.223 2.438 6.508) 8.132 14.871 ( -8.843 -5.105 -2.195) 10.444 14.871 ( -8.843 -5.105 2.195) 10.444 14.959 ( -9.074 -5.239 -3.428) 11.024 14.959 ( -9.074 -5.239 3.428) 11.024 15.289 ( 7.725 4.460 -6.533) 11.057 15.289 ( 7.725 4.460 6.533) 11.057 15.785 ( -3.077 -1.777 -2.300) 4.233 15.785 ( -3.077 -1.777 2.300) 4.233 16.012 ( 0.825 0.477 -5.327) 5.412 16.012 ( 0.825 0.477 5.327) 5.412 17.871 ( 4.406 2.544 -2.689) 5.755 17.871 ( 4.406 2.544 2.689) 5.755 17.990 ( 8.305 4.795 -10.737) 14.396 17.990 ( 8.305 4.795 10.737) 14.396 18.483 ( 0.421 0.243 -1.311) 1.398 18.483 ( 0.421 0.243 1.311) 1.398 18.642 ( 6.270 3.620 -1.947) 7.497 18.642 ( 6.270 3.620 1.947) 7.497 19.291 ( -6.277 -3.624 -7.757) 10.616 19.291 ( -6.277 -3.624 7.757) 10.616 19.785 ( -17.612 -10.168 -21.631) 29.690 19.785 ( -17.612 -10.168 21.631) 29.690 ======================= Grid point 226 (33/42) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( 16.114 9.303 -7.563) 20.085 2.366 ( 16.114 9.303 7.563) 20.085 2.664 ( 17.766 10.257 -11.347) 23.443 2.664 ( 17.766 10.257 11.347) 23.443 2.853 ( -2.067 -1.193 -0.463) 2.431 2.853 ( -2.067 -1.193 0.463) 2.431 3.228 ( -0.984 -0.568 -2.465) 2.715 3.228 ( -0.984 -0.568 2.465) 2.715 3.462 ( -13.265 -7.659 -2.221) 15.477 3.462 ( -13.265 -7.659 2.221) 15.477 3.565 ( -15.567 -8.988 -2.707) 18.178 3.565 ( -15.567 -8.988 2.707) 18.178 4.203 ( 9.345 5.395 -2.283) 11.029 4.203 ( 9.345 5.395 2.283) 11.029 4.317 ( 14.716 8.496 -1.258) 17.039 4.317 ( 14.716 8.496 1.258) 17.039 4.639 ( -8.050 -4.648 -1.506) 9.417 4.639 ( -8.050 -4.648 1.506) 9.417 4.767 ( -8.869 -5.120 -4.093) 11.029 4.767 ( -8.869 -5.120 4.093) 11.029 4.968 ( -10.405 -6.007 -5.373) 13.161 4.968 ( -10.405 -6.007 5.373) 13.161 5.450 ( 4.152 2.397 -13.688) 14.504 5.450 ( 4.152 2.397 13.688) 14.504 5.729 ( 22.828 13.180 -4.258) 26.702 5.729 ( 22.828 13.180 4.258) 26.702 6.548 ( -7.742 -4.470 -1.537) 9.071 6.548 ( -7.742 -4.470 1.537) 9.071 6.995 ( -3.713 -2.144 -2.192) 4.815 6.995 ( -3.713 -2.144 2.192) 4.815 7.235 ( -7.453 -4.303 -2.087) 8.855 7.235 ( -7.453 -4.303 2.087) 8.855 7.635 ( -0.257 -0.148 -4.588) 4.597 7.635 ( -0.257 -0.148 4.588) 4.597 7.966 ( 1.584 0.915 -2.760) 3.311 7.966 ( 1.584 0.915 2.760) 3.311 8.989 ( 9.002 5.198 -7.284) 12.693 8.989 ( 9.002 5.198 7.284) 12.693 9.360 ( 4.764 2.751 -6.595) 8.588 9.360 ( 4.764 2.751 6.595) 8.588 9.718 ( -2.425 -1.400 -1.978) 3.428 9.718 ( -2.425 -1.400 1.978) 3.428 9.828 ( -6.031 -3.482 -13.611) 15.289 9.828 ( -6.031 -3.482 13.611) 15.289 10.193 ( 0.667 0.385 -7.551) 7.590 10.193 ( 0.667 0.385 7.551) 7.590 10.463 ( -3.738 -2.158 -14.971) 15.581 10.463 ( -3.738 -2.158 14.971) 15.581 10.950 ( 0.371 0.214 -32.623) 32.626 10.950 ( 0.371 0.214 32.623) 32.626 11.043 ( 0.131 0.076 -35.653) 35.653 11.043 ( 0.131 0.076 35.653) 35.653 11.632 ( -4.173 -2.409 -2.831) 5.588 11.632 ( -4.173 -2.409 2.831) 5.588 11.706 ( -1.927 -1.112 -6.126) 6.517 11.706 ( -1.927 -1.112 6.126) 6.517 11.928 ( -0.937 -0.541 -2.931) 3.125 11.928 ( -0.937 -0.541 2.931) 3.125 12.073 ( -3.852 -2.224 -2.443) 5.075 12.073 ( -3.852 -2.224 2.443) 5.075 12.995 ( 6.162 3.558 -8.078) 10.765 12.995 ( 6.162 3.558 8.078) 10.765 13.244 ( -1.205 -0.696 -10.576) 10.667 13.244 ( -1.205 -0.696 10.576) 10.667 13.563 ( 6.625 3.825 -11.921) 14.164 13.563 ( 6.625 3.825 11.921) 14.164 14.100 ( 6.121 3.534 -5.067) 8.696 14.100 ( 6.121 3.534 5.067) 8.696 14.622 ( -11.838 -6.835 -2.837) 13.961 14.622 ( -11.838 -6.835 2.837) 13.961 14.778 ( -6.605 -3.813 -3.197) 8.269 14.778 ( -6.605 -3.813 3.197) 8.269 15.459 ( 6.453 3.726 -3.951) 8.434 15.459 ( 6.453 3.726 3.951) 8.434 15.706 ( -3.709 -2.141 -5.713) 7.140 15.706 ( -3.709 -2.141 5.713) 7.140 16.016 ( -0.181 -0.105 -7.158) 7.161 16.016 ( -0.181 -0.105 7.158) 7.161 17.949 ( 2.363 1.364 -2.964) 4.029 17.949 ( 2.363 1.364 2.964) 4.029 18.185 ( 8.799 5.080 -12.911) 16.429 18.185 ( 8.799 5.080 12.911) 16.429 18.469 ( -2.203 -1.272 -4.224) 4.931 18.469 ( -2.203 -1.272 4.224) 4.931 18.780 ( 5.107 2.949 -1.272) 6.033 18.780 ( 5.107 2.949 1.272) 6.033 19.165 ( -3.294 -1.902 -10.260) 10.942 19.165 ( -3.294 -1.902 10.260) 10.942 19.450 ( -12.455 -7.191 -13.261) 19.563 19.450 ( -12.455 -7.191 13.261) 19.563 ======================= Grid point 228 (34/42) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 0.000 0.000 -4.561) 4.561 2.628 ( -0.000 -0.000 4.561) 4.561 2.731 ( 0.000 0.000 -3.062) 3.062 2.731 ( 0.000 0.000 3.062) 3.062 3.051 ( 0.000 0.000 -7.897) 7.897 3.051 ( 0.000 0.000 7.897) 7.897 3.140 ( -0.000 -0.000 -9.856) 9.856 3.140 ( 0.000 0.000 9.856) 9.856 3.239 ( 0.000 0.000 -2.448) 2.448 3.239 ( -0.000 -0.000 2.448) 2.448 3.371 ( 0.000 0.000 -6.533) 6.533 3.371 ( 0.000 0.000 6.533) 6.533 4.385 ( -0.000 -0.000 -2.944) 2.944 4.385 ( 0.000 0.000 2.944) 2.944 4.437 ( -0.000 -0.000 -1.445) 1.445 4.437 ( 0.000 0.000 1.445) 1.445 4.572 ( -0.000 -0.000 -3.805) 3.805 4.572 ( -0.000 -0.000 3.805) 3.805 4.694 ( -0.000 -0.000 -3.573) 3.573 4.694 ( -0.000 -0.000 3.573) 3.573 4.766 ( 0.000 0.000 -3.049) 3.049 4.766 ( 0.000 0.000 3.049) 3.049 5.483 ( 0.000 0.000 -14.523) 14.523 5.483 ( 0.000 0.000 14.523) 14.523 6.225 ( -0.000 -0.000 -1.856) 1.856 6.225 ( 0.000 0.000 1.856) 1.856 6.238 ( 0.000 0.000 -1.454) 1.454 6.238 ( -0.000 -0.000 1.454) 1.454 6.981 ( 0.000 0.000 -1.578) 1.578 6.981 ( 0.000 0.000 1.578) 1.578 7.126 ( 0.000 0.000 -6.077) 6.077 7.126 ( 0.000 0.000 6.077) 6.077 7.633 ( 0.000 0.000 -6.186) 6.186 7.633 ( 0.000 0.000 6.186) 6.186 7.984 ( 0.000 0.000 -3.925) 3.925 7.984 ( 0.000 0.000 3.925) 3.925 9.107 ( 0.000 0.000 -10.394) 10.394 9.107 ( 0.000 0.000 10.394) 10.394 9.431 ( 0.000 0.000 -8.849) 8.849 9.431 ( 0.000 0.000 8.849) 8.849 9.696 ( 0.000 0.000 -1.234) 1.234 9.696 ( 0.000 0.000 1.234) 1.234 9.728 ( -0.000 -0.000 -15.617) 15.617 9.728 ( -0.000 -0.000 15.617) 15.617 10.212 ( 0.000 0.000 -7.360) 7.360 10.212 ( 0.000 0.000 7.360) 7.360 10.396 ( 0.000 0.000 -13.732) 13.732 10.396 ( -0.000 -0.000 13.732) 13.732 10.978 ( -0.000 -0.000 -33.965) 33.965 10.978 ( 0.000 0.000 33.965) 33.965 11.030 ( 0.000 0.000 -39.080) 39.080 11.030 ( 0.000 0.000 39.080) 39.080 11.579 ( 0.000 0.000 -0.034) 0.034 11.579 ( 0.000 0.000 0.034) 0.034 11.675 ( 0.000 0.000 -7.194) 7.194 11.675 ( 0.000 0.000 7.194) 7.194 11.935 ( 0.000 0.000 -4.326) 4.326 11.935 ( 0.000 0.000 4.326) 4.326 12.020 ( 0.000 0.000 -7.586) 7.586 12.020 ( 0.000 0.000 7.586) 7.586 13.098 ( 0.000 0.000 -8.343) 8.343 13.098 ( 0.000 0.000 8.343) 8.343 13.186 ( -0.000 -0.000 -11.508) 11.508 13.186 ( -0.000 -0.000 11.508) 11.508 13.666 ( 0.000 0.000 -15.997) 15.997 13.666 ( 0.000 0.000 15.997) 15.997 14.215 ( 0.000 0.000 -4.223) 4.223 14.215 ( 0.000 0.000 4.223) 4.223 14.433 ( 0.000 0.000 -2.182) 2.182 14.433 ( 0.000 0.000 2.182) 2.182 14.696 ( 0.000 0.000 -2.648) 2.648 14.696 ( 0.000 0.000 2.648) 2.648 15.551 ( -0.000 -0.000 -3.719) 3.719 15.551 ( -0.000 -0.000 3.719) 3.719 15.644 ( 0.000 0.000 -13.128) 13.128 15.644 ( 0.000 0.000 13.128) 13.128 16.013 ( 0.000 0.000 -7.622) 7.622 16.013 ( 0.000 0.000 7.622) 7.622 17.975 ( 0.000 0.000 -2.781) 2.781 17.975 ( 0.000 0.000 2.781) 2.781 18.353 ( 0.000 0.000 -9.056) 9.056 18.353 ( 0.000 0.000 9.056) 9.056 18.381 ( -0.000 -0.000 -11.236) 11.236 18.381 ( -0.000 -0.000 11.236) 11.236 18.833 ( 0.000 0.000 -6.219) 6.219 18.833 ( 0.000 0.000 6.219) 6.219 19.188 ( 0.000 0.000 -7.087) 7.087 19.188 ( 0.000 0.000 7.087) 7.087 19.249 ( 0.000 0.000 -8.531) 8.531 19.249 ( 0.000 0.000 8.531) 8.531 ======================= Grid point 242 (35/42) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 5.765 9.986 -28.427) 30.676 1.599 ( 5.765 9.986 28.427) 30.676 1.768 ( 7.430 12.870 -24.023) 28.248 1.768 ( 7.430 12.870 24.023) 28.248 2.835 ( 0.757 1.312 -3.046) 3.402 2.835 ( 0.757 1.312 3.046) 3.402 3.120 ( 7.912 13.703 -23.002) 27.919 3.120 ( 7.912 13.703 23.002) 27.919 3.466 ( 3.594 6.224 -3.068) 7.814 3.466 ( 3.594 6.224 3.068) 7.814 3.771 ( 2.811 4.868 -5.289) 7.719 3.771 ( 2.811 4.868 5.289) 7.719 4.208 ( 11.069 19.172 -1.818) 22.212 4.208 ( 11.069 19.172 1.818) 22.212 4.371 ( -8.858 -15.342 -2.538) 17.897 4.371 ( -8.858 -15.342 2.538) 17.897 4.385 ( -6.150 -10.651 -3.210) 12.711 4.385 ( -6.150 -10.651 3.210) 12.711 5.230 ( -3.042 -5.269 -8.982) 10.849 5.230 ( -3.042 -5.269 8.982) 10.849 5.251 ( -0.374 -0.647 -11.319) 11.343 5.251 ( -0.374 -0.647 11.319) 11.343 5.417 ( -4.126 -7.146 -5.528) 9.933 5.417 ( -4.126 -7.146 5.528) 9.933 5.492 ( -5.584 -9.672 -4.087) 11.893 5.492 ( -5.584 -9.672 4.087) 11.893 6.743 ( -3.243 -5.617 -9.043) 11.128 6.743 ( -3.243 -5.617 9.043) 11.128 7.389 ( -3.229 -5.594 -4.966) 8.147 7.389 ( -3.229 -5.594 4.966) 8.147 7.503 ( -2.123 -3.678 -5.276) 6.773 7.503 ( -2.123 -3.678 5.276) 6.773 7.646 ( -0.164 -0.283 -2.060) 2.086 7.646 ( -0.164 -0.283 2.060) 2.086 7.818 ( 1.553 2.689 -4.145) 5.179 7.818 ( 1.553 2.689 4.145) 5.179 8.563 ( 3.270 5.664 -11.804) 13.495 8.563 ( 3.270 5.664 11.804) 13.495 9.239 ( -0.899 -1.557 -8.188) 8.383 9.239 ( -0.899 -1.557 8.188) 8.383 9.922 ( -0.703 -1.217 -3.847) 4.096 9.922 ( -0.703 -1.217 3.847) 4.096 9.989 ( -2.032 -3.519 -8.220) 9.169 9.989 ( -2.032 -3.519 8.220) 9.169 10.205 ( 1.361 2.358 -5.757) 6.368 10.205 ( 1.361 2.358 5.757) 6.368 10.348 ( 3.933 6.813 -16.340) 18.135 10.348 ( 3.933 6.813 16.340) 18.135 10.851 ( 2.066 3.579 -6.342) 7.569 10.851 ( 2.066 3.579 6.342) 7.569 10.989 ( 4.084 7.073 -12.385) 14.836 10.989 ( 4.084 7.073 12.385) 14.836 11.753 ( -5.850 -10.133 -10.771) 15.904 11.753 ( -5.850 -10.133 10.771) 15.904 12.030 ( -1.973 -3.417 -12.973) 13.559 12.030 ( -1.973 -3.417 12.973) 13.559 12.224 ( -3.185 -5.517 -8.576) 10.684 12.224 ( -3.185 -5.517 8.576) 10.684 12.290 ( -4.120 -7.136 -9.512) 12.585 12.290 ( -4.120 -7.136 9.512) 12.585 12.672 ( 4.326 7.492 -0.615) 8.673 12.672 ( 4.326 7.492 0.615) 8.673 12.875 ( 4.599 7.966 -12.900) 15.843 12.875 ( 4.599 7.966 12.900) 15.843 13.642 ( -3.385 -5.864 -10.275) 12.306 13.642 ( -3.385 -5.864 10.275) 12.306 13.894 ( 1.231 2.132 -8.730) 9.070 13.894 ( 1.231 2.132 8.730) 9.070 14.778 ( 8.153 14.122 -7.642) 18.008 14.778 ( 8.153 14.122 7.642) 18.008 15.230 ( -5.291 -9.165 -2.755) 10.936 15.230 ( -5.291 -9.165 2.755) 10.936 15.290 ( -4.100 -7.101 -2.168) 8.482 15.290 ( -4.100 -7.101 2.168) 8.482 15.834 ( 0.261 0.452 -1.297) 1.397 15.834 ( 0.261 0.452 1.297) 1.397 15.943 ( 2.183 3.781 -0.545) 4.399 15.943 ( 2.183 3.781 0.545) 4.399 17.741 ( 2.526 4.375 -4.603) 6.834 17.741 ( 2.526 4.375 4.603) 6.834 17.783 ( 3.292 5.701 -4.676) 8.075 17.783 ( 3.292 5.701 4.676) 8.075 18.463 ( 0.884 1.530 -2.356) 2.945 18.463 ( 0.884 1.530 2.356) 2.945 18.492 ( 1.859 3.220 -1.839) 4.148 18.492 ( 1.859 3.220 1.839) 4.148 19.428 ( -1.815 -3.144 -3.133) 4.795 19.428 ( -1.815 -3.144 3.133) 4.795 20.369 ( -12.902 -22.346 -20.657) 33.053 20.369 ( -12.902 -22.346 20.657) 33.053 ======================= Grid point 244 (36/42) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 11.150 15.541 -19.069) 27.008 1.874 ( 11.150 15.541 19.069) 27.008 2.073 ( 14.083 12.042 -18.877) 26.452 2.073 ( 14.083 12.042 18.877) 26.452 2.863 ( 0.893 1.261 -1.955) 2.492 2.863 ( 0.893 1.261 1.955) 2.492 3.251 ( 0.734 1.106 -1.056) 1.696 3.251 ( 0.734 1.106 1.056) 1.696 3.743 ( 11.837 15.075 -12.664) 22.973 3.743 ( 11.837 15.075 12.664) 22.973 3.861 ( 1.640 -1.058 -3.141) 3.698 3.861 ( 1.640 -1.058 3.141) 3.698 4.013 ( -11.803 -10.504 -5.160) 16.622 4.013 ( -11.803 -10.504 5.160) 16.622 4.084 ( -6.765 -12.000 -4.419) 14.467 4.084 ( -6.765 -12.000 4.419) 14.467 4.749 ( 16.152 20.164 -2.974) 26.006 4.749 ( 16.152 20.164 2.974) 26.006 5.015 ( -8.119 -6.936 -4.708) 11.671 5.015 ( -8.119 -6.936 4.708) 11.671 5.146 ( -7.136 -8.322 -4.169) 11.728 5.146 ( -7.136 -8.322 4.169) 11.728 5.308 ( -6.665 -3.654 -4.139) 8.655 5.308 ( -6.665 -3.654 4.139) 8.655 5.404 ( 3.941 -1.162 -10.034) 10.843 5.404 ( 3.941 -1.162 10.034) 10.843 6.664 ( -2.043 -0.928 -7.237) 7.577 6.664 ( -2.043 -0.928 7.237) 7.577 7.251 ( -7.713 -3.014 -4.193) 9.282 7.251 ( -7.713 -3.014 4.193) 9.282 7.434 ( -2.524 -4.534 -3.532) 6.277 7.434 ( -2.524 -4.534 3.532) 6.277 7.626 ( 0.055 -3.020 -2.424) 3.872 7.626 ( 0.055 -3.020 2.424) 3.872 7.864 ( 2.344 -0.046 -4.669) 5.225 7.864 ( 2.344 -0.046 4.669) 5.225 8.712 ( 6.232 8.372 -3.804) 11.108 8.712 ( 6.232 8.372 3.804) 11.108 9.244 ( 1.500 1.899 -2.310) 3.345 9.244 ( 1.500 1.899 2.310) 3.345 9.860 ( -5.414 0.516 -1.902) 5.762 9.860 ( -5.414 0.516 1.902) 5.762 9.949 ( 0.952 -4.552 -4.198) 6.265 9.949 ( 0.952 -4.552 4.198) 6.265 10.219 ( -1.908 2.135 -5.900) 6.558 10.219 ( -1.908 2.135 5.900) 6.558 10.437 ( 3.268 -1.450 -18.479) 18.822 10.437 ( 3.268 -1.450 18.479) 18.822 10.925 ( 2.386 2.858 -18.341) 18.715 10.925 ( 2.386 2.858 18.341) 18.715 11.053 ( -0.227 -2.160 -24.997) 25.092 11.053 ( -0.227 -2.160 24.997) 25.092 11.644 ( 0.252 -0.952 -7.703) 7.766 11.644 ( 0.252 -0.952 7.703) 7.766 11.912 ( -7.429 -4.005 -9.245) 12.518 11.912 ( -7.429 -4.005 9.245) 12.518 12.087 ( -6.802 -3.956 -3.583) 8.646 12.087 ( -6.802 -3.956 3.583) 8.646 12.174 ( -1.344 -7.676 -5.086) 9.306 12.174 ( -1.344 -7.676 5.086) 9.306 12.836 ( 4.173 10.032 -5.542) 12.197 12.836 ( 4.173 10.032 5.542) 12.197 13.039 ( 8.057 4.636 -4.286) 10.236 13.039 ( 8.057 4.636 4.286) 10.236 13.541 ( -3.035 -3.206 -9.569) 10.538 13.541 ( -3.035 -3.206 9.569) 10.538 13.949 ( 2.649 2.620 -7.887) 8.723 13.949 ( 2.649 2.620 7.887) 8.723 14.920 ( -2.512 -3.215 -0.761) 4.150 14.920 ( -2.512 -3.215 0.761) 4.150 15.038 ( -7.364 -7.912 -3.205) 11.274 15.038 ( -7.364 -7.912 3.205) 11.274 15.233 ( 3.739 3.747 -6.445) 8.341 15.233 ( 3.739 3.747 6.445) 8.341 15.813 ( -2.014 -1.584 -2.476) 3.563 15.813 ( -2.014 -1.584 2.476) 3.563 15.995 ( 1.322 0.656 -3.883) 4.154 15.995 ( 1.322 0.656 3.883) 4.154 17.844 ( 3.552 5.397 -5.501) 8.486 17.844 ( 3.552 5.397 5.501) 8.486 17.915 ( 5.944 5.331 -8.149) 11.408 17.915 ( 5.944 5.331 8.149) 11.408 18.491 ( 0.216 1.898 -2.273) 2.969 18.491 ( 0.216 1.898 2.273) 2.969 18.583 ( 4.725 4.089 -1.960) 6.549 18.583 ( 4.725 4.089 1.960) 6.549 19.336 ( -4.279 -5.270 -6.261) 9.235 19.336 ( -4.279 -5.270 6.261) 9.235 19.936 ( -14.697 -16.604 -22.940) 31.905 19.936 ( -14.697 -16.604 22.940) 31.905 ======================= Grid point 246 (37/42) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 12.970 15.012 -10.268) 22.339 2.234 ( 12.970 15.012 10.268) 22.339 2.453 ( 17.620 10.115 -13.632) 24.467 2.453 ( 17.620 10.115 13.632) 24.467 2.877 ( -0.787 0.521 -0.592) 1.114 2.877 ( -0.787 0.521 0.592) 1.114 3.238 ( -1.266 -1.280 -2.321) 2.937 3.238 ( -1.266 -1.280 2.321) 2.937 3.581 ( -12.503 -12.234 -4.200) 17.990 3.581 ( -12.503 -12.234 4.200) 17.990 3.683 ( -11.717 -14.622 -4.840) 19.353 3.683 ( -11.717 -14.622 4.840) 19.353 4.115 ( 7.435 5.903 -3.498) 10.117 4.115 ( 7.435 5.903 3.498) 10.117 4.181 ( 13.903 14.006 -5.013) 20.361 4.181 ( 13.903 14.006 5.013) 20.361 4.724 ( -8.082 -6.805 -2.383) 10.831 4.724 ( -8.082 -6.805 2.383) 10.831 4.864 ( -10.074 -8.269 -3.434) 13.478 4.864 ( -10.074 -8.269 3.434) 13.478 5.094 ( -8.984 -2.083 -7.197) 11.698 5.094 ( -8.984 -2.083 7.197) 11.698 5.351 ( 10.048 4.522 -9.870) 14.793 5.351 ( 10.048 4.522 9.870) 14.793 5.557 ( 14.661 14.173 -4.557) 20.895 5.557 ( 14.661 14.173 4.557) 20.895 6.639 ( -3.363 2.235 -4.503) 6.048 6.639 ( -3.363 2.235 4.503) 6.048 7.085 ( -8.614 -1.598 -1.346) 8.863 7.085 ( -8.614 -1.598 1.346) 8.863 7.306 ( -6.582 -5.461 -2.670) 8.960 7.306 ( -6.582 -5.461 2.670) 8.960 7.605 ( 1.621 -4.110 -4.944) 6.630 7.605 ( 1.621 -4.110 4.944) 6.630 7.898 ( 3.599 -3.349 -3.859) 6.250 7.898 ( 3.599 -3.349 3.859) 6.250 8.920 ( 7.613 9.383 -3.861) 12.685 8.920 ( 7.613 9.383 3.861) 12.685 9.320 ( 3.632 3.737 -4.769) 7.064 9.320 ( 3.632 3.737 4.769) 7.064 9.779 ( -4.570 0.775 -3.931) 6.078 9.779 ( -4.570 0.775 3.931) 6.078 9.901 ( -3.980 -1.051 -9.285) 10.156 9.901 ( -3.980 -1.051 9.285) 10.156 10.196 ( -1.486 0.187 -5.735) 5.928 10.196 ( -1.486 0.187 5.735) 5.928 10.436 ( 1.537 -6.750 -14.894) 16.425 10.436 ( 1.537 -6.750 14.894) 16.425 10.952 ( -0.843 -0.417 -28.317) 28.332 10.952 ( -0.843 -0.417 28.317) 28.332 11.023 ( 1.236 -1.481 -30.655) 30.716 11.023 ( 1.236 -1.481 30.655) 30.716 11.672 ( -0.508 0.461 -11.561) 11.582 11.672 ( -0.508 0.461 11.561) 11.582 11.744 ( -5.907 -3.420 -4.834) 8.364 11.744 ( -5.907 -3.420 4.834) 8.364 11.954 ( -4.193 -2.515 -6.719) 8.310 11.954 ( -4.193 -2.515 6.719) 8.310 12.082 ( -1.730 -6.035 -2.931) 6.929 12.082 ( -1.730 -6.035 2.931) 6.929 12.985 ( 2.452 9.261 -7.978) 12.468 12.985 ( 2.452 9.261 7.978) 12.468 13.217 ( 6.284 2.353 -8.886) 11.135 13.217 ( 6.284 2.353 8.886) 11.135 13.505 ( 1.942 0.556 -9.344) 9.560 13.505 ( 1.942 0.556 9.344) 9.560 14.036 ( 4.708 2.836 -6.454) 8.477 14.036 ( 4.708 2.836 6.454) 8.477 14.723 ( -9.597 -9.716 -2.484) 13.881 14.723 ( -9.597 -9.716 2.484) 13.881 14.845 ( -6.913 -6.298 -2.966) 9.811 14.845 ( -6.913 -6.298 2.966) 9.811 15.396 ( 6.520 6.111 -7.199) 11.475 15.396 ( 6.520 6.111 7.199) 11.475 15.746 ( -3.446 -2.288 -4.225) 5.913 15.746 ( -3.446 -2.288 4.225) 5.913 16.004 ( 0.470 -1.323 -6.187) 6.344 16.004 ( 0.470 -1.323 6.187) 6.344 17.942 ( 1.873 4.702 -5.729) 7.644 17.942 ( 1.873 4.702 5.729) 7.644 18.084 ( 8.365 4.545 -12.091) 15.389 18.084 ( 8.365 4.545 12.091) 15.389 18.496 ( -1.551 0.501 -2.782) 3.224 18.496 ( -1.551 0.501 2.782) 3.224 18.720 ( 5.932 4.588 -0.784) 7.540 18.720 ( 5.932 4.588 0.784) 7.540 19.198 ( -4.592 -5.498 -10.213) 12.475 19.198 ( -4.592 -5.498 10.213) 12.475 19.576 ( -12.225 -10.767 -16.120) 22.918 19.576 ( -12.225 -10.767 16.120) 22.918 ======================= Grid point 248 (38/42) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.562 ( 10.135 9.980 -5.691) 15.321 2.562 ( 10.135 9.980 5.691) 15.321 2.781 ( 0.960 0.782 -2.786) 3.049 2.781 ( 0.960 0.782 2.786) 3.049 2.881 ( 11.276 5.093 -7.355) 14.395 2.881 ( 11.276 5.093 7.355) 14.395 3.200 ( -3.405 -4.996 -2.508) 6.545 3.200 ( -3.405 -4.996 2.508) 6.545 3.279 ( -8.479 -8.154 -5.041) 12.798 3.279 ( -8.479 -8.154 5.041) 12.798 3.390 ( -6.666 -7.947 -5.991) 11.978 3.390 ( -6.666 -7.947 5.991) 11.978 4.308 ( 8.934 4.927 -1.447) 10.304 4.308 ( 8.934 4.927 1.447) 10.304 4.485 ( 1.462 4.998 -3.667) 6.369 4.485 ( 1.462 4.998 3.667) 6.369 4.562 ( -1.224 -0.322 -0.297) 1.300 4.562 ( -1.224 -0.322 0.297) 1.300 4.675 ( -1.865 -3.697 -3.492) 5.416 4.675 ( -1.865 -3.697 3.492) 5.416 4.881 ( -11.803 -2.373 -6.780) 13.817 4.881 ( -11.803 -2.373 6.780) 13.817 5.431 ( 3.698 -4.000 -14.505) 15.494 5.431 ( 3.698 -4.000 14.505) 15.494 6.065 ( 18.589 20.400 -5.067) 28.060 6.065 ( 18.589 20.400 5.067) 28.060 6.491 ( -17.232 -1.207 -3.893) 17.708 6.491 ( -17.232 -1.207 3.893) 17.708 6.996 ( -0.982 1.920 -2.178) 3.065 6.996 ( -0.982 1.920 2.178) 3.065 7.146 ( -4.931 -4.705 -5.562) 8.797 7.146 ( -4.931 -4.705 5.562) 8.797 7.598 ( 2.148 -3.967 -5.912) 7.437 7.598 ( 2.148 -3.967 5.912) 7.437 7.918 ( 3.763 -5.334 -4.195) 7.760 7.918 ( 3.763 -5.334 4.195) 7.760 9.107 ( 3.591 6.400 -8.486) 11.219 9.107 ( 3.591 6.400 8.486) 11.219 9.409 ( 2.774 1.647 -8.276) 8.883 9.409 ( 2.774 1.647 8.276) 8.883 9.737 ( -2.067 3.448 -5.687) 6.964 9.737 ( -2.067 3.448 5.687) 6.964 9.798 ( -7.075 0.889 -11.102) 13.194 9.798 ( -7.075 0.889 11.102) 13.194 10.197 ( 1.380 -0.205 -6.819) 6.960 10.197 ( 1.380 -0.205 6.819) 6.960 10.375 ( -0.170 -5.873 -12.886) 14.162 10.375 ( -0.170 -5.873 12.886) 14.162 10.957 ( 1.794 0.344 -33.467) 33.517 10.957 ( 1.794 0.344 33.467) 33.517 11.021 ( -0.085 -2.256 -36.630) 36.699 11.021 ( -0.085 -2.256 36.630) 36.699 11.596 ( -2.921 -1.444 -3.908) 5.088 11.596 ( -2.921 -1.444 3.908) 5.088 11.690 ( -1.568 -0.274 -13.268) 13.363 11.690 ( -1.568 -0.274 13.268) 13.363 11.917 ( 1.000 -1.030 -6.563) 6.719 11.917 ( 1.000 -1.030 6.563) 6.719 12.007 ( -0.671 -4.297 -6.140) 7.524 12.007 ( -0.671 -4.297 6.140) 7.524 13.102 ( 1.910 6.584 -9.492) 11.709 13.102 ( 1.910 6.584 9.492) 11.709 13.237 ( -3.482 1.082 -11.329) 11.901 13.237 ( -3.482 1.082 11.329) 11.901 13.612 ( 6.012 0.552 -13.912) 15.165 13.612 ( 6.012 0.552 13.912) 15.165 14.161 ( 6.295 2.445 -4.970) 8.384 14.161 ( 6.295 2.445 4.970) 8.384 14.473 ( -7.885 -7.900 -1.710) 11.292 14.473 ( -7.885 -7.900 1.710) 11.292 14.707 ( -3.008 -3.184 -2.152) 4.880 14.707 ( -3.008 -3.184 2.152) 4.880 15.536 ( 3.908 4.213 -2.976) 6.471 15.536 ( 3.908 4.213 2.976) 6.471 15.663 ( -3.361 -2.240 -8.222) 9.161 15.663 ( -3.361 -2.240 8.222) 9.161 15.997 ( 0.711 -1.866 -7.003) 7.282 15.997 ( 0.711 -1.866 7.003) 7.282 17.993 ( -0.364 3.252 -5.876) 6.726 17.993 ( -0.364 3.252 5.876) 6.726 18.272 ( 8.727 3.819 -12.246) 15.515 18.272 ( 8.727 3.819 12.246) 15.515 18.430 ( -4.998 -3.335 -7.852) 9.888 18.430 ( -4.998 -3.335 7.852) 9.888 18.831 ( 1.721 2.555 -4.142) 5.162 18.831 ( 1.721 2.555 4.142) 5.162 19.146 ( 3.188 0.342 -7.822) 8.454 19.146 ( 3.188 0.342 7.822) 8.454 19.311 ( -8.946 -7.071 -8.549) 14.252 19.311 ( -8.946 -7.071 8.549) 14.252 ======================= Grid point 264 (39/42) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.213 ( 10.440 18.083 -13.006) 24.600 2.213 ( 10.440 18.083 13.006) 24.600 2.331 ( 8.443 14.623 -16.199) 23.399 2.331 ( 8.443 14.623 16.199) 23.399 2.886 ( 0.545 0.944 -0.887) 1.406 2.886 ( 0.545 0.944 0.887) 1.406 3.243 ( -0.973 -1.686 -2.240) 2.967 3.243 ( -0.973 -1.686 2.240) 2.967 3.633 ( -9.748 -16.884 -4.508) 20.010 3.633 ( -9.748 -16.884 4.508) 20.010 3.700 ( -8.806 -15.253 -6.304) 18.706 3.700 ( -8.806 -15.253 6.304) 18.706 4.078 ( 3.557 6.161 -3.732) 8.033 4.078 ( 3.557 6.161 3.732) 8.033 4.133 ( 10.810 18.724 -6.933) 22.705 4.133 ( 10.810 18.724 6.933) 22.705 4.761 ( -5.385 -9.327 -3.345) 11.278 4.761 ( -5.385 -9.327 3.345) 11.278 4.917 ( -7.592 -13.150 -2.218) 15.346 4.917 ( -7.592 -13.150 2.218) 15.346 5.199 ( 5.192 8.993 -7.386) 12.743 5.199 ( 5.192 8.993 7.386) 12.743 5.252 ( -2.543 -4.404 -12.373) 13.377 5.252 ( -2.543 -4.404 12.373) 13.377 5.497 ( 10.471 18.137 -1.975) 21.036 5.497 ( 10.471 18.137 1.975) 21.036 6.680 ( 1.330 2.304 -6.102) 6.657 6.680 ( 1.330 2.304 6.102) 6.657 7.177 ( -3.021 -5.233 -8.428) 10.371 7.177 ( -3.021 -5.233 8.428) 10.371 7.347 ( -2.849 -4.934 -7.331) 9.285 7.347 ( -2.849 -4.934 7.331) 9.285 7.539 ( -2.980 -5.162 -4.717) 7.601 7.539 ( -2.980 -5.162 4.717) 7.601 7.842 ( -0.990 -1.715 -6.486) 6.782 7.842 ( -0.990 -1.715 6.486) 6.782 8.905 ( 6.297 10.908 -2.317) 12.806 8.905 ( 6.297 10.908 2.317) 12.806 9.308 ( 2.508 4.344 -4.229) 6.561 9.308 ( 2.508 4.344 4.229) 6.561 9.842 ( -1.545 -2.676 -6.806) 7.474 9.842 ( -1.545 -2.676 6.806) 7.474 9.917 ( 0.828 1.434 -4.146) 4.464 9.917 ( 0.828 1.434 4.146) 4.464 10.243 ( -0.009 -0.015 -5.091) 5.091 10.243 ( -0.009 -0.015 5.091) 5.091 10.346 ( -3.899 -6.753 -13.708) 15.771 10.346 ( -3.899 -6.753 13.708) 15.771 10.971 ( 0.861 1.492 -27.031) 27.086 10.971 ( 0.861 1.492 27.031) 27.086 10.988 ( -1.639 -2.839 -33.074) 33.236 10.988 ( -1.639 -2.839 33.074) 33.236 11.672 ( 1.400 2.425 -13.257) 13.550 11.672 ( 1.400 2.425 13.257) 13.550 11.790 ( -4.577 -7.928 -7.601) 11.899 11.790 ( -4.577 -7.928 7.601) 11.899 12.018 ( -2.815 -4.875 -10.380) 11.808 12.018 ( -2.815 -4.875 10.380) 11.808 12.025 ( -3.292 -5.702 -6.390) 9.175 12.025 ( -3.292 -5.702 6.390) 9.175 13.054 ( 6.211 10.758 -12.707) 17.771 13.054 ( 6.211 10.758 12.707) 17.771 13.125 ( 3.002 5.200 -5.940) 8.446 13.125 ( 3.002 5.200 5.940) 8.446 13.498 ( -0.564 -0.976 -9.864) 9.928 13.498 ( -0.564 -0.976 9.864) 9.928 14.009 ( 2.053 3.556 -7.628) 8.663 14.009 ( 2.053 3.556 7.628) 8.663 14.756 ( -6.697 -11.599 -2.008) 13.544 14.756 ( -6.697 -11.599 2.008) 13.544 14.875 ( -4.916 -8.514 -2.659) 10.184 14.875 ( -4.916 -8.514 2.659) 10.184 15.368 ( 4.696 8.134 -8.888) 12.931 15.368 ( 4.696 8.134 8.888) 12.931 15.767 ( -1.789 -3.099 -4.461) 5.719 15.767 ( -1.789 -3.099 4.461) 5.719 15.990 ( -0.598 -1.036 -5.375) 5.506 15.990 ( -0.598 -1.036 5.375) 5.506 17.964 ( 3.632 6.291 -8.724) 11.352 17.964 ( 3.632 6.291 8.724) 11.352 18.019 ( 3.258 5.643 -10.282) 12.173 18.019 ( 3.258 5.643 10.282) 12.173 18.517 ( 0.015 0.027 -2.769) 2.769 18.517 ( 0.015 0.027 2.769) 2.769 18.688 ( 3.863 6.691 -1.288) 7.832 18.688 ( 3.863 6.691 1.288) 7.832 19.210 ( -4.066 -7.043 -10.049) 12.927 19.210 ( -4.066 -7.043 10.049) 12.927 19.630 ( -8.345 -14.455 -16.765) 23.657 19.630 ( -8.345 -14.455 16.765) 23.657 ======================= Grid point 266 (40/42) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 7.663 14.280 -7.497) 17.856 2.527 ( 7.663 14.280 7.497) 17.856 2.637 ( 13.395 8.791 -11.246) 19.575 2.637 ( 13.395 8.791 11.246) 19.575 2.888 ( -1.542 0.571 -2.217) 2.760 2.888 ( -1.542 0.571 2.217) 2.760 3.197 ( -1.469 -3.038 -0.600) 3.427 3.197 ( -1.469 -3.038 0.600) 3.427 3.314 ( -8.748 -13.847 -7.119) 17.859 3.314 ( -8.748 -13.847 7.119) 17.859 3.423 ( -7.840 -11.508 -7.415) 15.776 3.423 ( -7.840 -11.508 7.415) 15.776 4.222 ( 6.329 5.459 -2.802) 8.815 4.222 ( 6.329 5.459 2.802) 8.815 4.481 ( 9.165 14.996 -2.927) 17.818 4.481 ( 9.165 14.996 2.927) 17.818 4.604 ( -4.703 -4.625 -2.682) 7.121 4.604 ( -4.703 -4.625 2.682) 7.121 4.676 ( -5.782 -9.812 -2.809) 11.730 4.676 ( -5.782 -9.812 2.809) 11.730 5.078 ( -12.174 -0.290 -12.074) 17.149 5.078 ( -12.174 -0.290 12.074) 17.149 5.291 ( 6.057 -6.915 -13.774) 16.560 5.291 ( 6.057 -6.915 13.774) 16.560 5.992 ( 16.920 25.762 -7.708) 31.771 5.992 ( 16.920 25.762 7.708) 31.771 6.713 ( -4.663 4.877 -5.296) 8.578 6.713 ( -4.663 4.877 5.296) 8.578 7.054 ( -5.142 -2.796 -6.415) 8.684 7.054 ( -5.142 -2.796 6.415) 8.684 7.207 ( -7.912 -4.057 -3.536) 9.569 7.207 ( -7.912 -4.057 3.536) 9.569 7.474 ( 3.858 -9.349 -7.679) 12.699 7.474 ( 3.858 -9.349 7.679) 12.699 7.814 ( 1.310 -4.221 -6.211) 7.623 7.814 ( 1.310 -4.221 6.211) 7.623 9.110 ( 5.377 9.525 -5.906) 12.430 9.110 ( 5.377 9.525 5.906) 12.430 9.387 ( 2.044 2.370 -7.266) 7.912 9.387 ( 2.044 2.370 7.266) 7.912 9.804 ( -1.858 1.791 -8.183) 8.581 9.804 ( -1.858 1.791 8.183) 8.581 9.934 ( -3.942 4.345 -4.306) 7.277 9.934 ( -3.942 4.345 4.306) 7.277 10.183 ( -2.405 -2.276 -1.968) 3.853 10.183 ( -2.405 -2.276 1.968) 3.853 10.279 ( 3.067 -7.326 -9.355) 12.271 10.279 ( 3.067 -7.326 9.355) 12.271 10.950 ( -0.761 0.124 -32.943) 32.952 10.950 ( -0.761 0.124 32.943) 32.952 10.990 ( 0.955 -2.081 -32.352) 32.433 10.990 ( 0.955 -2.081 32.352) 32.433 11.641 ( -4.687 -3.807 -7.440) 9.582 11.641 ( -4.687 -3.807 7.440) 9.582 11.705 ( 0.059 0.039 -20.892) 20.892 11.705 ( 0.059 0.039 20.892) 20.892 11.909 ( -2.751 -2.409 -10.918) 11.514 11.909 ( -2.751 -2.409 10.918) 11.514 11.958 ( 0.049 -6.183 -7.416) 9.655 11.958 ( 0.049 -6.183 7.416) 9.655 13.174 ( -0.867 8.899 -10.437) 13.743 13.174 ( -0.867 8.899 10.437) 13.743 13.265 ( 4.109 3.459 -12.190) 13.321 13.265 ( 4.109 3.459 12.190) 13.321 13.521 ( 3.880 0.849 -11.096) 11.785 13.521 ( 3.880 0.849 11.096) 11.785 14.091 ( 4.248 2.892 -6.619) 8.380 14.091 ( 4.248 2.892 6.619) 8.380 14.515 ( -7.824 -11.233 -1.140) 13.737 14.515 ( -7.824 -11.233 1.140) 13.737 14.726 ( -3.960 -5.557 -1.393) 6.964 14.726 ( -3.960 -5.557 1.393) 6.964 15.513 ( 4.222 5.691 -7.935) 10.639 15.513 ( 4.222 5.691 7.935) 10.639 15.699 ( -2.957 -2.346 -5.793) 6.914 15.699 ( -2.957 -2.346 5.793) 6.914 15.965 ( -0.024 -2.503 -5.685) 6.212 15.965 ( -0.024 -2.503 5.685) 6.212 18.051 ( -0.736 6.493 -9.576) 11.593 18.051 ( -0.736 6.493 9.576) 11.593 18.158 ( 8.165 2.951 -12.526) 15.241 18.158 ( 8.165 2.951 12.526) 15.241 18.470 ( -3.648 -3.830 -6.671) 8.513 18.470 ( -3.648 -3.830 6.671) 8.513 18.827 ( 3.929 6.556 -0.972) 7.705 18.827 ( 3.929 6.556 0.972) 7.705 19.107 ( -0.519 -3.179 -9.443) 9.977 19.107 ( -0.519 -3.179 9.443) 9.977 19.376 ( -7.990 -9.921 -8.691) 15.421 19.376 ( -7.990 -9.921 8.691) 15.421 ======================= Grid point 268 (41/42) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.704 ( -2.090 3.620 -4.815) 6.376 2.704 ( -2.090 3.620 4.815) 6.376 2.800 ( -1.242 2.151 -4.175) 4.858 2.800 ( -1.242 2.151 4.175) 4.858 2.931 ( 2.152 -3.727 -8.715) 9.719 2.931 ( 2.152 -3.727 8.715) 9.719 3.050 ( 0.655 -1.135 -8.568) 8.668 3.050 ( 0.655 -1.135 8.568) 8.668 3.238 ( 0.654 -1.134 -2.019) 2.406 3.238 ( 0.654 -1.134 2.019) 2.406 3.253 ( 3.208 -5.557 -8.841) 10.924 3.253 ( 3.208 -5.557 8.841) 10.924 4.356 ( 0.933 -1.616 -2.142) 2.841 4.356 ( 0.933 -1.616 2.142) 2.841 4.459 ( -0.508 0.879 -2.619) 2.809 4.459 ( -0.508 0.879 2.619) 2.809 4.576 ( 1.665 -2.885 -3.669) 4.955 4.576 ( 1.665 -2.885 3.669) 4.955 4.736 ( -3.692 6.394 -9.987) 12.420 4.736 ( -3.692 6.394 9.987) 12.420 4.897 ( -2.991 5.181 -7.838) 9.860 4.897 ( -2.991 5.181 7.838) 9.860 5.308 ( 4.806 -8.324 -14.376) 17.293 5.308 ( 4.806 -8.324 14.376) 17.293 6.436 ( -5.421 9.390 -9.117) 14.166 6.436 ( -5.421 9.390 9.117) 14.166 6.528 ( -6.808 11.791 -8.370) 15.983 6.528 ( -6.808 11.791 8.370) 15.983 7.048 ( 2.793 -4.838 -9.602) 11.109 7.048 ( 2.793 -4.838 9.602) 11.109 7.065 ( -2.425 4.200 -5.507) 7.338 7.065 ( -2.425 4.200 5.507) 7.338 7.465 ( 5.757 -9.971 -8.559) 14.346 7.465 ( 5.757 -9.971 8.559) 14.346 7.805 ( 2.804 -4.857 -5.884) 8.129 7.805 ( 2.804 -4.857 5.884) 8.129 9.218 ( -2.708 4.691 -7.524) 9.270 9.218 ( -2.708 4.691 7.524) 9.270 9.410 ( 0.766 -1.327 -8.107) 8.250 9.410 ( 0.766 -1.327 8.107) 8.250 9.811 ( -1.741 3.015 -16.841) 17.197 9.811 ( -1.741 3.015 16.841) 17.197 9.890 ( -4.861 8.420 -3.193) 10.233 9.890 ( -4.861 8.420 3.193) 10.233 10.174 ( 1.262 -2.185 -6.244) 6.734 10.174 ( 1.262 -2.185 6.244) 6.734 10.262 ( 3.334 -5.774 -9.522) 11.625 10.262 ( 3.334 -5.774 9.522) 11.625 10.955 ( 0.382 -0.661 -35.147) 35.155 10.955 ( 0.382 -0.661 35.147) 35.155 10.975 ( 1.046 -1.812 -37.744) 37.802 10.975 ( 1.046 -1.812 37.744) 37.802 11.579 ( 0.057 -0.099 -8.476) 8.477 11.579 ( 0.057 -0.099 8.476) 8.477 11.698 ( -0.512 0.887 -21.889) 21.913 11.698 ( -0.512 0.887 21.889) 21.913 11.882 ( 1.279 -2.215 -11.166) 11.455 11.882 ( 1.279 -2.215 11.166) 11.455 11.922 ( 2.346 -4.063 -9.225) 10.350 11.922 ( 2.346 -4.063 9.225) 10.350 13.217 ( -2.991 5.181 -11.943) 13.357 13.217 ( -2.991 5.181 11.943) 13.357 13.300 ( -2.443 4.232 -13.423) 14.284 13.300 ( -2.443 4.232 13.423) 14.284 13.582 ( 1.769 -3.063 -12.836) 13.314 13.582 ( 1.769 -3.063 12.836) 13.314 14.180 ( 0.442 -0.766 -5.576) 5.646 14.180 ( 0.442 -0.766 5.576) 5.646 14.346 ( 2.460 -4.261 -1.421) 5.122 14.346 ( 2.460 -4.261 1.421) 5.122 14.661 ( 0.894 -1.548 -0.788) 1.953 14.661 ( 0.894 -1.548 0.788) 1.953 15.613 ( -1.330 2.304 -3.906) 4.726 15.613 ( -1.330 2.304 3.906) 4.726 15.627 ( 0.170 -0.295 -10.675) 10.681 15.627 ( 0.170 -0.295 10.675) 10.681 15.951 ( 1.436 -2.488 -5.615) 6.307 15.951 ( 1.436 -2.488 5.615) 6.307 18.075 ( -3.006 5.207 -9.877) 11.563 18.075 ( -3.006 5.207 9.877) 11.563 18.328 ( 1.452 -2.516 -13.566) 13.874 18.328 ( 1.452 -2.516 13.566) 13.874 18.332 ( 1.169 -2.025 -10.235) 10.499 18.332 ( 1.169 -2.025 10.235) 10.499 18.896 ( -2.508 4.344 -3.690) 6.228 18.896 ( -2.508 4.344 3.690) 6.228 19.168 ( 0.798 -1.382 -6.348) 6.545 19.168 ( 0.798 -1.382 6.348) 6.545 19.180 ( 2.127 -3.684 -6.584) 7.839 19.180 ( 2.127 -3.684 6.584) 7.839 ======================= Grid point 288 (42/42) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 4.024 6.971 -5.429) 9.709 2.746 ( 4.024 6.971 5.429) 9.709 2.785 ( 3.306 5.725 -7.446) 9.957 2.785 ( 3.306 5.725 7.446) 9.957 2.889 ( -0.462 -0.800 -5.757) 5.831 2.889 ( -0.462 -0.800 5.757) 5.831 3.105 ( -3.136 -5.431 -9.428) 11.323 3.105 ( -3.136 -5.431 9.428) 11.323 3.145 ( -1.395 -2.416 -6.265) 6.858 3.145 ( -1.395 -2.416 6.265) 6.858 3.242 ( -3.661 -6.341 -4.505) 8.597 3.242 ( -3.661 -6.341 4.505) 8.597 4.321 ( 2.442 4.230 -2.752) 5.606 4.321 ( 2.442 4.230 2.752) 5.606 4.511 ( -2.965 -5.136 -3.095) 6.689 4.511 ( -2.965 -5.136 3.095) 6.689 4.519 ( -1.629 -2.822 -3.490) 4.775 4.519 ( -1.629 -2.822 3.490) 4.775 4.786 ( 7.789 13.491 -10.309) 18.680 4.786 ( 7.789 13.491 10.309) 18.680 5.028 ( -4.114 -7.126 -14.551) 16.717 5.028 ( -4.114 -7.126 14.551) 16.717 5.165 ( -1.951 -3.379 -11.407) 12.056 5.165 ( -1.951 -3.379 11.407) 12.056 6.472 ( 12.520 21.686 -10.380) 27.107 6.472 ( 12.520 21.686 10.380) 27.107 6.785 ( -0.134 -0.231 -8.702) 8.706 6.785 ( -0.134 -0.231 8.702) 8.706 6.936 ( -4.655 -8.062 -10.841) 14.290 6.936 ( -4.655 -8.062 10.841) 14.290 7.166 ( -0.331 -0.573 -7.487) 7.517 7.166 ( -0.331 -0.573 7.487) 7.517 7.290 ( -3.997 -6.923 -8.278) 11.508 7.290 ( -3.997 -6.923 8.278) 11.508 7.758 ( -0.841 -1.456 -6.550) 6.762 7.758 ( -0.841 -1.456 6.550) 6.762 9.271 ( 3.811 6.600 -7.014) 10.358 9.271 ( 3.811 6.600 7.014) 10.358 9.387 ( -1.365 -2.365 -7.572) 8.049 9.387 ( -1.365 -2.365 7.572) 8.049 9.845 ( 1.058 1.832 -17.360) 17.488 9.845 ( 1.058 1.832 17.360) 17.488 10.035 ( 2.175 3.767 -5.784) 7.237 10.035 ( 2.175 3.767 5.784) 7.237 10.113 ( -0.691 -1.197 -3.084) 3.380 10.113 ( -0.691 -1.197 3.084) 3.380 10.186 ( -2.320 -4.018 -4.680) 6.590 10.186 ( -2.320 -4.018 4.680) 6.590 10.949 ( -0.119 -0.206 -37.029) 37.029 10.949 ( -0.119 -0.206 37.029) 37.029 10.954 ( -0.626 -1.084 -35.907) 35.929 10.954 ( -0.626 -1.084 35.907) 35.929 11.583 ( -0.915 -1.585 -11.189) 11.338 11.583 ( -0.915 -1.585 11.189) 11.338 11.710 ( 0.114 0.197 -27.796) 27.797 11.710 ( 0.114 0.197 27.796) 27.797 11.862 ( -1.215 -2.105 -13.254) 13.475 11.862 ( -1.215 -2.105 13.254) 13.475 11.869 ( -1.290 -2.234 -11.354) 11.643 11.869 ( -1.290 -2.234 11.354) 11.643 13.290 ( 2.089 3.619 -13.217) 13.861 13.290 ( 2.089 3.619 13.217) 13.861 13.336 ( 0.988 1.711 -16.514) 16.632 13.336 ( 0.988 1.711 16.514) 16.632 13.541 ( 0.697 1.208 -14.015) 14.085 13.541 ( 0.697 1.208 14.015) 14.085 14.159 ( 2.571 4.453 -5.909) 7.833 14.159 ( 2.571 4.453 5.909) 7.833 14.311 ( -5.140 -8.902 -2.704) 10.629 14.311 ( -5.140 -8.902 2.704) 10.629 14.646 ( -1.313 -2.274 -1.118) 2.854 14.646 ( -1.313 -2.274 1.118) 2.854 15.606 ( 2.091 3.622 -8.556) 9.524 15.606 ( 2.091 3.622 8.556) 9.524 15.658 ( -1.152 -1.995 -7.056) 7.422 15.658 ( -1.152 -1.995 7.056) 7.422 15.921 ( -0.878 -1.521 -4.475) 4.807 15.921 ( -0.878 -1.521 4.475) 4.807 18.187 ( 2.895 5.014 -11.099) 12.518 18.187 ( 2.895 5.014 11.099) 12.518 18.202 ( 2.255 3.906 -13.761) 14.481 18.202 ( 2.255 3.906 13.761) 14.481 18.351 ( -4.506 -7.805 -11.622) 14.707 18.351 ( -4.506 -7.805 11.622) 14.707 18.967 ( 4.018 6.959 -2.677) 8.470 18.967 ( 4.018 6.959 2.677) 8.470 19.080 ( 0.157 0.271 -5.488) 5.497 19.080 ( 0.157 0.271 5.488) 5.497 19.192 ( -4.966 -8.601 -4.012) 10.711 19.192 ( -4.966 -8.601 4.012) 10.711 =================== 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 3/36000 10.0 12747.868 12747.868 6147.681 0.000 -0.000 0.000 3/36000 20.0 4353.330 4353.330 4207.282 -0.000 -0.000 0.000 3/36000 30.0 1383.970 1383.970 1462.577 0.000 0.000 0.000 3/36000 40.0 623.948 623.948 678.930 0.000 0.000 0.000 3/36000 50.0 353.165 353.165 388.534 0.000 0.000 0.000 3/36000 60.0 228.347 228.347 252.007 0.000 0.000 0.000 3/36000 70.0 160.575 160.575 177.216 0.000 0.000 0.000 3/36000 80.0 119.679 119.679 131.904 0.000 0.000 0.000 3/36000 90.0 93.152 93.152 102.461 0.000 0.000 0.000 3/36000 100.0 75.007 75.007 82.311 0.000 0.000 0.000 3/36000 110.0 62.068 62.068 67.948 0.000 0.000 0.000 3/36000 120.0 52.524 52.524 57.364 0.000 0.000 0.000 3/36000 130.0 45.281 45.281 49.343 0.000 0.000 0.000 3/36000 140.0 39.648 39.648 43.116 0.000 0.000 0.000 3/36000 150.0 35.175 35.175 38.181 0.000 0.000 0.000 3/36000 160.0 31.557 31.557 34.197 0.000 0.000 0.000 3/36000 170.0 28.583 28.583 30.928 0.000 0.000 0.000 3/36000 180.0 26.105 26.105 28.209 0.000 0.000 0.000 3/36000 190.0 24.012 24.012 25.917 0.000 0.000 0.000 3/36000 200.0 22.225 22.225 23.963 0.000 0.000 0.000 3/36000 210.0 20.684 20.684 22.281 0.000 0.000 0.000 3/36000 220.0 19.343 19.343 20.820 0.000 0.000 0.000 3/36000 230.0 18.166 18.166 19.539 0.000 0.000 0.000 3/36000 240.0 17.126 17.126 18.409 0.000 0.000 0.000 3/36000 250.0 16.200 16.200 17.404 0.000 0.000 0.000 3/36000 260.0 15.372 15.372 16.506 0.000 0.000 0.000 3/36000 270.0 14.626 14.626 15.698 0.000 0.000 0.000 3/36000 280.0 13.951 13.951 14.967 0.000 0.000 0.000 3/36000 290.0 13.337 13.337 14.304 0.000 0.000 0.000 3/36000 300.0 12.777 12.777 13.699 0.000 0.000 0.000 3/36000 310.0 12.263 12.263 13.144 0.000 0.000 0.000 3/36000 320.0 11.791 11.791 12.635 0.000 0.000 0.000 3/36000 330.0 11.355 11.355 12.164 0.000 0.000 0.000 3/36000 340.0 10.951 10.951 11.729 0.000 0.000 0.000 3/36000 350.0 10.576 10.576 11.325 0.000 0.000 0.000 3/36000 360.0 10.226 10.226 10.949 0.000 0.000 0.000 3/36000 370.0 9.900 9.900 10.598 0.000 0.000 0.000 3/36000 380.0 9.595 9.595 10.270 0.000 0.000 0.000 3/36000 390.0 9.309 9.309 9.962 0.000 0.000 0.000 3/36000 400.0 9.040 9.040 9.673 0.000 0.000 0.000 3/36000 410.0 8.786 8.786 9.401 0.000 0.000 0.000 3/36000 420.0 8.547 8.547 9.144 0.000 0.000 0.000 3/36000 430.0 8.321 8.321 8.902 0.000 0.000 0.000 3/36000 440.0 8.107 8.107 8.672 0.000 0.000 0.000 3/36000 450.0 7.905 7.905 8.455 0.000 0.000 0.000 3/36000 460.0 7.712 7.712 8.248 0.000 0.000 0.000 3/36000 470.0 7.529 7.529 8.052 0.000 0.000 0.000 3/36000 480.0 7.355 7.355 7.865 0.000 0.000 0.000 3/36000 490.0 7.189 7.189 7.687 0.000 0.000 0.000 3/36000 500.0 7.030 7.030 7.517 0.000 0.000 0.000 3/36000 510.0 6.879 6.879 7.355 0.000 0.000 0.000 3/36000 520.0 6.734 6.734 7.199 0.000 0.000 0.000 3/36000 530.0 6.595 6.595 7.051 0.000 0.000 0.000 3/36000 540.0 6.462 6.462 6.908 0.000 0.000 0.000 3/36000 550.0 6.334 6.334 6.772 0.000 0.000 0.000 3/36000 560.0 6.212 6.212 6.640 0.000 0.000 0.000 3/36000 570.0 6.094 6.094 6.514 0.000 0.000 0.000 3/36000 580.0 5.981 5.981 6.393 0.000 0.000 0.000 3/36000 590.0 5.872 5.872 6.276 0.000 0.000 0.000 3/36000 600.0 5.767 5.767 6.164 0.000 0.000 0.000 3/36000 610.0 5.666 5.666 6.056 0.000 0.000 0.000 3/36000 620.0 5.568 5.568 5.951 0.000 0.000 0.000 3/36000 630.0 5.474 5.474 5.850 0.000 0.000 0.000 3/36000 640.0 5.383 5.383 5.753 0.000 0.000 0.000 3/36000 650.0 5.295 5.295 5.659 0.000 0.000 0.000 3/36000 660.0 5.210 5.210 5.568 0.000 0.000 0.000 3/36000 670.0 5.128 5.128 5.480 0.000 0.000 0.000 3/36000 680.0 5.048 5.048 5.395 0.000 0.000 0.000 3/36000 690.0 4.971 4.971 5.312 0.000 0.000 0.000 3/36000 700.0 4.896 4.896 5.232 0.000 0.000 0.000 3/36000 710.0 4.824 4.824 5.154 0.000 0.000 0.000 3/36000 720.0 4.753 4.753 5.079 0.000 0.000 0.000 3/36000 730.0 4.685 4.685 5.006 0.000 0.000 0.000 3/36000 740.0 4.619 4.619 4.935 0.000 0.000 0.000 3/36000 750.0 4.554 4.554 4.866 0.000 0.000 0.000 3/36000 760.0 4.491 4.491 4.799 0.000 0.000 0.000 3/36000 770.0 4.431 4.431 4.734 0.000 0.000 0.000 3/36000 780.0 4.371 4.371 4.670 0.000 0.000 0.000 3/36000 790.0 4.314 4.314 4.609 0.000 0.000 0.000 3/36000 800.0 4.257 4.257 4.549 0.000 0.000 0.000 3/36000 810.0 4.203 4.203 4.490 0.000 0.000 0.000 3/36000 820.0 4.149 4.149 4.433 0.000 0.000 0.000 3/36000 830.0 4.098 4.098 4.378 0.000 0.000 0.000 3/36000 840.0 4.047 4.047 4.324 0.000 0.000 0.000 3/36000 850.0 3.998 3.998 4.271 0.000 0.000 0.000 3/36000 860.0 3.949 3.949 4.219 0.000 0.000 0.000 3/36000 870.0 3.902 3.902 4.169 0.000 0.000 0.000 3/36000 880.0 3.857 3.857 4.120 0.000 0.000 0.000 3/36000 890.0 3.812 3.812 4.072 0.000 0.000 0.000 3/36000 900.0 3.768 3.768 4.026 0.000 0.000 0.000 3/36000 910.0 3.725 3.725 3.980 0.000 0.000 0.000 3/36000 920.0 3.684 3.684 3.935 0.000 0.000 0.000 3/36000 930.0 3.643 3.643 3.892 0.000 0.000 0.000 3/36000 940.0 3.603 3.603 3.849 0.000 0.000 0.000 3/36000 950.0 3.564 3.564 3.807 0.000 0.000 0.000 3/36000 960.0 3.526 3.526 3.766 0.000 0.000 0.000 3/36000 970.0 3.488 3.488 3.726 0.000 0.000 0.000 3/36000 980.0 3.452 3.452 3.687 0.000 0.000 0.000 3/36000 990.0 3.416 3.416 3.649 0.000 0.000 0.000 3/36000 1000.0 3.381 3.381 3.612 0.000 0.000 0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:02:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|