----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:27:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.424782540000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.424782540000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.161651500000000 Atomic positions (fractional): *1 Na 0.96856168268376 0.69728206334720 0.50000000000000 22.990 2 Na 0.03143831731624 0.30271793665280 0.50000000000000 22.990 3 Na 0.53143831731624 0.19728206334720 0.00000000000000 22.990 4 Na 0.46856168268376 0.80271793665280 0.00000000000000 22.990 5 Na 0.69728206334720 0.96856168268376 0.50000000000000 22.990 6 Na 0.30271793665280 0.03143831731624 0.50000000000000 22.990 7 Na 0.19728206334720 0.53143831731624 0.00000000000000 22.990 8 Na 0.80271793665280 0.46856168268376 0.00000000000000 22.990 *9 Na 0.38287509411175 0.38287509411175 0.50000000000000 22.990 10 Na 0.61712490588825 0.61712490588825 0.50000000000000 22.990 11 Na 0.11712490588825 0.88287509411175 0.00000000000000 22.990 12 Na 0.88287509411175 0.11712490588825 0.00000000000000 22.990 *13 H 0.39862934378673 0.60137065621327 0.70223418995260 1.008 14 H 0.60137065621327 0.39862934378673 0.70223418995260 1.008 15 H 0.10137065621327 0.10137065621327 0.20223418995260 1.008 16 H 0.89862934378673 0.89862934378673 0.20223418995260 1.008 17 H 0.60137065621327 0.39862934378673 0.29776581004740 1.008 18 H 0.39862934378673 0.60137065621327 0.29776581004740 1.008 19 H 0.89862934378673 0.89862934378673 0.79776581004740 1.008 20 H 0.10137065621327 0.10137065621327 0.79776581004740 1.008 *21 H 0.25960601161651 0.74039398838349 0.19650746511020 1.008 22 H 0.74039398838349 0.25960601161651 0.19650746511020 1.008 23 H 0.24039398838349 0.24039398838349 0.69650746511020 1.008 24 H 0.75960601161651 0.75960601161651 0.69650746511020 1.008 25 H 0.74039398838349 0.25960601161651 0.80349253488980 1.008 26 H 0.25960601161651 0.74039398838349 0.80349253488980 1.008 27 H 0.75960601161651 0.75960601161651 0.30349253488980 1.008 28 H 0.24039398838349 0.24039398838349 0.30349253488980 1.008 *29 H 0.17621711211277 0.56511914889219 0.50000000000000 1.008 30 H 0.82378288788723 0.43488085110781 0.50000000000000 1.008 31 H 0.32378288788723 0.06511914889219 0.00000000000000 1.008 32 H 0.67621711211277 0.93488085110781 0.00000000000000 1.008 33 H 0.56511914889219 0.17621711211277 0.50000000000000 1.008 34 H 0.43488085110781 0.82378288788723 0.50000000000000 1.008 35 H 0.06511914889219 0.32378288788723 0.00000000000000 1.008 36 H 0.93488085110781 0.67621711211277 0.00000000000000 1.008 *37 H 0.17392559540490 0.82607440459510 0.50000000000000 1.008 38 H 0.82607440459510 0.17392559540490 0.50000000000000 1.008 39 H 0.32607440459510 0.32607440459510 0.00000000000000 1.008 40 H 0.67392559540490 0.67392559540490 0.00000000000000 1.008 *41 Os 0.29957728899480 0.70042271100520 0.50000000000000 190.230 42 Os 0.70042271100520 0.29957728899480 0.50000000000000 190.230 43 Os 0.20042271100520 0.20042271100520 0.00000000000000 190.230 44 Os 0.79957728899480 0.79957728899480 0.00000000000000 190.230 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.424782540000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.424782540000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.161651500000000 Atomic positions (fractional): *1 Na 0.96856168268376 0.69728206334720 0.50000000000000 22.990 > 1 2 Na 0.03143831731624 0.30271793665280 0.50000000000000 22.990 > 2 3 Na 0.53143831731624 0.19728206334720 0.00000000000000 22.990 > 3 4 Na 0.46856168268376 0.80271793665280 0.00000000000000 22.990 > 4 5 Na 0.69728206334720 0.96856168268376 0.50000000000000 22.990 > 5 6 Na 0.30271793665280 0.03143831731624 0.50000000000000 22.990 > 6 7 Na 0.19728206334720 0.53143831731624 0.00000000000000 22.990 > 7 8 Na 0.80271793665280 0.46856168268376 0.00000000000000 22.990 > 8 *9 Na 0.38287509411175 0.38287509411175 0.50000000000000 22.990 > 9 10 Na 0.61712490588825 0.61712490588825 0.50000000000000 22.990 > 10 11 Na 0.11712490588825 0.88287509411175 0.00000000000000 22.990 > 11 12 Na 0.88287509411175 0.11712490588825 0.00000000000000 22.990 > 12 *13 H 0.39862934378673 0.60137065621327 0.70223418995260 1.008 > 13 14 H 0.60137065621327 0.39862934378673 0.70223418995260 1.008 > 14 15 H 0.10137065621327 0.10137065621327 0.20223418995260 1.008 > 15 16 H 0.89862934378673 0.89862934378673 0.20223418995260 1.008 > 16 17 H 0.60137065621327 0.39862934378673 0.29776581004740 1.008 > 17 18 H 0.39862934378673 0.60137065621327 0.29776581004740 1.008 > 18 19 H 0.89862934378673 0.89862934378673 0.79776581004740 1.008 > 19 20 H 0.10137065621327 0.10137065621327 0.79776581004740 1.008 > 20 *21 H 0.25960601161651 0.74039398838349 0.19650746511020 1.008 > 21 22 H 0.74039398838349 0.25960601161651 0.19650746511020 1.008 > 22 23 H 0.24039398838349 0.24039398838349 0.69650746511020 1.008 > 23 24 H 0.75960601161651 0.75960601161651 0.69650746511020 1.008 > 24 25 H 0.74039398838349 0.25960601161651 0.80349253488980 1.008 > 25 26 H 0.25960601161651 0.74039398838349 0.80349253488980 1.008 > 26 27 H 0.75960601161651 0.75960601161651 0.30349253488980 1.008 > 27 28 H 0.24039398838349 0.24039398838349 0.30349253488980 1.008 > 28 *29 H 0.17621711211277 0.56511914889219 0.50000000000000 1.008 > 29 30 H 0.82378288788723 0.43488085110781 0.50000000000000 1.008 > 30 31 H 0.32378288788723 0.06511914889219 0.00000000000000 1.008 > 31 32 H 0.67621711211277 0.93488085110781 0.00000000000000 1.008 > 32 33 H 0.56511914889219 0.17621711211277 0.50000000000000 1.008 > 33 34 H 0.43488085110781 0.82378288788723 0.50000000000000 1.008 > 34 35 H 0.06511914889219 0.32378288788723 0.00000000000000 1.008 > 35 36 H 0.93488085110781 0.67621711211277 0.00000000000000 1.008 > 36 *37 H 0.17392559540490 0.82607440459510 0.50000000000000 1.008 > 37 38 H 0.82607440459510 0.17392559540490 0.50000000000000 1.008 > 38 39 H 0.32607440459510 0.32607440459510 0.00000000000000 1.008 > 39 40 H 0.67392559540490 0.67392559540490 0.00000000000000 1.008 > 40 *41 Os 0.29957728899480 0.70042271100520 0.50000000000000 190.230 > 41 42 Os 0.70042271100520 0.29957728899480 0.50000000000000 190.230 > 42 43 Os 0.20042271100520 0.20042271100520 0.00000000000000 190.230 > 43 44 Os 0.79957728899480 0.79957728899480 0.00000000000000 190.230 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.424782540000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.424782540000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.323302999999999 Atomic positions (fractional): *1 Na 0.96856168268376 0.69728206334720 0.25000000000000 22.990 > 1 2 Na 0.96856168268376 0.69728206334720 0.75000000000000 22.990 > 1 3 Na 0.03143831731624 0.30271793665280 0.25000000000000 22.990 > 2 4 Na 0.03143831731624 0.30271793665280 0.75000000000000 22.990 > 2 5 Na 0.53143831731624 0.19728206334720 0.00000000000000 22.990 > 3 6 Na 0.53143831731624 0.19728206334720 0.50000000000000 22.990 > 3 7 Na 0.46856168268376 0.80271793665280 0.00000000000000 22.990 > 4 8 Na 0.46856168268376 0.80271793665280 0.50000000000000 22.990 > 4 9 Na 0.69728206334720 0.96856168268376 0.25000000000000 22.990 > 5 10 Na 0.69728206334720 0.96856168268376 0.75000000000000 22.990 > 5 11 Na 0.30271793665280 0.03143831731624 0.25000000000000 22.990 > 6 12 Na 0.30271793665280 0.03143831731624 0.75000000000000 22.990 > 6 13 Na 0.19728206334720 0.53143831731624 0.00000000000000 22.990 > 7 14 Na 0.19728206334720 0.53143831731624 0.50000000000000 22.990 > 7 15 Na 0.80271793665280 0.46856168268376 0.00000000000000 22.990 > 8 16 Na 0.80271793665280 0.46856168268376 0.50000000000000 22.990 > 8 *17 Na 0.38287509411175 0.38287509411175 0.25000000000000 22.990 > 9 18 Na 0.38287509411175 0.38287509411175 0.75000000000000 22.990 > 9 19 Na 0.61712490588825 0.61712490588825 0.25000000000000 22.990 > 10 20 Na 0.61712490588825 0.61712490588825 0.75000000000000 22.990 > 10 21 Na 0.11712490588825 0.88287509411175 0.00000000000000 22.990 > 11 22 Na 0.11712490588825 0.88287509411175 0.50000000000000 22.990 > 11 23 Na 0.88287509411175 0.11712490588825 0.00000000000000 22.990 > 12 24 Na 0.88287509411175 0.11712490588825 0.50000000000000 22.990 > 12 *25 H 0.39862934378673 0.60137065621327 0.35111709497630 1.008 > 13 26 H 0.39862934378673 0.60137065621327 0.85111709497630 1.008 > 13 27 H 0.60137065621327 0.39862934378673 0.35111709497630 1.008 > 14 28 H 0.60137065621327 0.39862934378673 0.85111709497630 1.008 > 14 29 H 0.10137065621327 0.10137065621327 0.10111709497630 1.008 > 15 30 H 0.10137065621327 0.10137065621327 0.60111709497630 1.008 > 15 31 H 0.89862934378673 0.89862934378673 0.10111709497630 1.008 > 16 32 H 0.89862934378673 0.89862934378673 0.60111709497630 1.008 > 16 33 H 0.60137065621327 0.39862934378673 0.14888290502370 1.008 > 17 34 H 0.60137065621327 0.39862934378673 0.64888290502370 1.008 > 17 35 H 0.39862934378673 0.60137065621327 0.14888290502370 1.008 > 18 36 H 0.39862934378673 0.60137065621327 0.64888290502370 1.008 > 18 37 H 0.89862934378673 0.89862934378673 0.39888290502370 1.008 > 19 38 H 0.89862934378673 0.89862934378673 0.89888290502370 1.008 > 19 39 H 0.10137065621327 0.10137065621327 0.39888290502370 1.008 > 20 40 H 0.10137065621327 0.10137065621327 0.89888290502370 1.008 > 20 *41 H 0.25960601161651 0.74039398838349 0.09825373255510 1.008 > 21 42 H 0.25960601161651 0.74039398838349 0.59825373255510 1.008 > 21 43 H 0.74039398838349 0.25960601161651 0.09825373255510 1.008 > 22 44 H 0.74039398838349 0.25960601161651 0.59825373255510 1.008 > 22 45 H 0.24039398838349 0.24039398838349 0.34825373255510 1.008 > 23 46 H 0.24039398838349 0.24039398838349 0.84825373255510 1.008 > 23 47 H 0.75960601161651 0.75960601161651 0.34825373255510 1.008 > 24 48 H 0.75960601161651 0.75960601161651 0.84825373255510 1.008 > 24 49 H 0.74039398838349 0.25960601161651 0.40174626744490 1.008 > 25 50 H 0.74039398838349 0.25960601161651 0.90174626744490 1.008 > 25 51 H 0.25960601161651 0.74039398838349 0.40174626744490 1.008 > 26 52 H 0.25960601161651 0.74039398838349 0.90174626744490 1.008 > 26 53 H 0.75960601161651 0.75960601161651 0.15174626744490 1.008 > 27 54 H 0.75960601161651 0.75960601161651 0.65174626744490 1.008 > 27 55 H 0.24039398838349 0.24039398838349 0.15174626744490 1.008 > 28 56 H 0.24039398838349 0.24039398838349 0.65174626744490 1.008 > 28 *57 H 0.17621711211277 0.56511914889219 0.25000000000000 1.008 > 29 58 H 0.17621711211277 0.56511914889219 0.75000000000000 1.008 > 29 59 H 0.82378288788723 0.43488085110781 0.25000000000000 1.008 > 30 60 H 0.82378288788723 0.43488085110781 0.75000000000000 1.008 > 30 61 H 0.32378288788723 0.06511914889219 0.00000000000000 1.008 > 31 62 H 0.32378288788723 0.06511914889219 0.50000000000000 1.008 > 31 63 H 0.67621711211277 0.93488085110781 0.00000000000000 1.008 > 32 64 H 0.67621711211277 0.93488085110781 0.50000000000000 1.008 > 32 65 H 0.56511914889219 0.17621711211277 0.25000000000000 1.008 > 33 66 H 0.56511914889219 0.17621711211277 0.75000000000000 1.008 > 33 67 H 0.43488085110781 0.82378288788723 0.25000000000000 1.008 > 34 68 H 0.43488085110781 0.82378288788723 0.75000000000000 1.008 > 34 69 H 0.06511914889219 0.32378288788723 0.00000000000000 1.008 > 35 70 H 0.06511914889219 0.32378288788723 0.50000000000000 1.008 > 35 71 H 0.93488085110781 0.67621711211277 0.00000000000000 1.008 > 36 72 H 0.93488085110781 0.67621711211277 0.50000000000000 1.008 > 36 *73 H 0.17392559540490 0.82607440459510 0.25000000000000 1.008 > 37 74 H 0.17392559540490 0.82607440459510 0.75000000000000 1.008 > 37 75 H 0.82607440459510 0.17392559540490 0.25000000000000 1.008 > 38 76 H 0.82607440459510 0.17392559540490 0.75000000000000 1.008 > 38 77 H 0.32607440459510 0.32607440459510 0.00000000000000 1.008 > 39 78 H 0.32607440459510 0.32607440459510 0.50000000000000 1.008 > 39 79 H 0.67392559540490 0.67392559540490 0.00000000000000 1.008 > 40 80 H 0.67392559540490 0.67392559540490 0.50000000000000 1.008 > 40 *81 Os 0.29957728899480 0.70042271100520 0.25000000000000 190.230 > 41 82 Os 0.29957728899480 0.70042271100520 0.75000000000000 190.230 > 41 83 Os 0.70042271100520 0.29957728899480 0.25000000000000 190.230 > 42 84 Os 0.70042271100520 0.29957728899480 0.75000000000000 190.230 > 42 85 Os 0.20042271100520 0.20042271100520 0.00000000000000 190.230 > 43 86 Os 0.20042271100520 0.20042271100520 0.50000000000000 190.230 > 43 87 Os 0.79957728899480 0.79957728899480 0.00000000000000 190.230 > 44 88 Os 0.79957728899480 0.79957728899480 0.50000000000000 190.230 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5093332 0.0000000 0.0000000 0.0000000 3.5093332 0.0000000 0.0000000 0.0000000 3.5769569 -------------------------- Born effective charges -------------------------- 1 Na 1.1825098 0.0002064 0.0000000 0.0103455 0.8249699 0.0000000 0.0000000 0.0000000 1.1158139 2 Na 1.1825098 0.0002064 0.0000000 0.0103455 0.8249699 0.0000000 0.0000000 0.0000000 1.1158139 3 Na 1.1825098 -0.0002064 0.0000000 -0.0103455 0.8249699 0.0000000 0.0000000 0.0000000 1.1158139 4 Na 1.1825098 -0.0002064 0.0000000 -0.0103455 0.8249699 0.0000000 0.0000000 0.0000000 1.1158139 5 Na 0.8249699 0.0103455 0.0000000 0.0002064 1.1825098 0.0000000 0.0000000 0.0000000 1.1158139 6 Na 0.8249699 0.0103455 0.0000000 0.0002064 1.1825098 0.0000000 0.0000000 0.0000000 1.1158139 7 Na 0.8249699 -0.0103455 0.0000000 -0.0002064 1.1825098 0.0000000 0.0000000 0.0000000 1.1158139 8 Na 0.8249699 -0.0103455 0.0000000 -0.0002064 1.1825098 0.0000000 0.0000000 0.0000000 1.1158139 9 Na 1.0871849 -0.0574603 0.0000000 -0.0574603 1.0871849 0.0000000 0.0000000 0.0000000 0.9145682 10 Na 1.0871849 -0.0574603 0.0000000 -0.0574603 1.0871849 0.0000000 0.0000000 0.0000000 0.9145682 11 Na 1.0871849 0.0574603 0.0000000 0.0574603 1.0871849 0.0000000 0.0000000 0.0000000 0.9145682 12 Na 1.0871849 0.0574603 0.0000000 0.0574603 1.0871849 0.0000000 0.0000000 0.0000000 0.9145682 13 H -0.1141830 0.3080799 -0.3070416 0.3080799 -0.1141830 0.3070416 -0.3340932 0.3340932 -0.1678315 14 H -0.1141830 0.3080799 0.3070416 0.3080799 -0.1141830 -0.3070416 0.3340932 -0.3340932 -0.1678315 15 H -0.1141830 -0.3080799 0.3070416 -0.3080799 -0.1141830 0.3070416 0.3340932 0.3340932 -0.1678315 16 H -0.1141830 -0.3080799 -0.3070416 -0.3080799 -0.1141830 -0.3070416 -0.3340932 -0.3340932 -0.1678315 17 H -0.1141830 0.3080799 -0.3070416 0.3080799 -0.1141830 0.3070416 -0.3340932 0.3340932 -0.1678315 18 H -0.1141830 0.3080799 0.3070416 0.3080799 -0.1141830 -0.3070416 0.3340932 -0.3340932 -0.1678315 19 H -0.1141830 -0.3080799 0.3070416 -0.3080799 -0.1141830 0.3070416 0.3340932 0.3340932 -0.1678315 20 H -0.1141830 -0.3080799 -0.3070416 -0.3080799 -0.1141830 -0.3070416 -0.3340932 -0.3340932 -0.1678315 21 H 0.1805174 0.0689262 -0.1924858 0.0689262 0.1805174 0.1924858 -0.2418154 0.2418154 -0.6476574 22 H 0.1805174 0.0689262 0.1924858 0.0689262 0.1805174 -0.1924858 0.2418154 -0.2418154 -0.6476574 23 H 0.1805174 -0.0689262 0.1924858 -0.0689262 0.1805174 0.1924858 0.2418154 0.2418154 -0.6476574 24 H 0.1805174 -0.0689262 -0.1924858 -0.0689262 0.1805174 -0.1924858 -0.2418154 -0.2418154 -0.6476574 25 H 0.1805174 0.0689262 -0.1924858 0.0689262 0.1805174 0.1924858 -0.2418154 0.2418154 -0.6476574 26 H 0.1805174 0.0689262 0.1924858 0.0689262 0.1805174 -0.1924858 0.2418154 -0.2418154 -0.6476574 27 H 0.1805174 -0.0689262 0.1924858 -0.0689262 0.1805174 0.1924858 0.2418154 0.2418154 -0.6476574 28 H 0.1805174 -0.0689262 -0.1924858 -0.0689262 0.1805174 -0.1924858 -0.2418154 -0.2418154 -0.6476574 29 H -0.4465206 -0.6722125 0.0000000 -0.6808854 -0.6237186 0.0000000 0.0000000 0.0000000 0.1742869 30 H -0.4465206 -0.6722125 0.0000000 -0.6808854 -0.6237186 0.0000000 0.0000000 0.0000000 0.1742869 31 H -0.4465206 0.6722125 0.0000000 0.6808854 -0.6237186 0.0000000 0.0000000 0.0000000 0.1742869 32 H -0.4465206 0.6722125 0.0000000 0.6808854 -0.6237186 0.0000000 0.0000000 0.0000000 0.1742869 33 H -0.6237186 -0.6808854 0.0000000 -0.6722125 -0.4465206 0.0000000 0.0000000 0.0000000 0.1742869 34 H -0.6237186 -0.6808854 0.0000000 -0.6722125 -0.4465206 0.0000000 0.0000000 0.0000000 0.1742869 35 H -0.6237186 0.6808854 0.0000000 0.6722125 -0.4465206 0.0000000 0.0000000 0.0000000 0.1742869 36 H -0.6237186 0.6808854 0.0000000 0.6722125 -0.4465206 0.0000000 0.0000000 0.0000000 0.1742869 37 H -0.2440299 0.4706675 0.0000000 0.4706675 -0.2440299 0.0000000 0.0000000 0.0000000 0.2673774 38 H -0.2440299 0.4706675 0.0000000 0.4706675 -0.2440299 0.0000000 0.0000000 0.0000000 0.2673774 39 H -0.2440299 -0.4706675 0.0000000 -0.4706675 -0.2440299 0.0000000 0.0000000 0.0000000 0.2673774 40 H -0.2440299 -0.4706675 0.0000000 -0.4706675 -0.2440299 0.0000000 0.0000000 0.0000000 0.2673774 41 Os -1.9130643 0.1093616 0.0000000 0.1093616 -1.9130643 0.0000000 0.0000000 0.0000000 -2.1311696 42 Os -1.9130643 0.1093616 0.0000000 0.1093616 -1.9130643 0.0000000 0.0000000 0.0000000 -2.1311696 43 Os -1.9130643 -0.1093616 0.0000000 -0.1093616 -1.9130643 0.0000000 0.0000000 0.0000000 -2.1311696 44 Os -1.9130643 -0.1093616 0.0000000 -0.1093616 -1.9130643 0.0000000 0.0000000 0.0000000 -2.1311696 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1223 Number of blocks in projector: 1223 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 313 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1223, 1194), data: False |-- (200, 193), data: True |-- (313, 304), data: True |-- (324, 315), data: True |-- (386, 382), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 400 - Time: 1.108 Solver_block: 200 / 400 - Time: 1.112 Solver_block: 300 / 400 - Time: 1.110 Solver_block: 400 / 400 - Time: 1.114 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.469 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 264/264 Permutation basis: 17556/17556 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1223 Number of blocks in projector: 1223 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 386 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 313 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1223, 1194), data: False |-- (200, 193), data: True |-- (313, 304), data: True |-- (324, 315), data: True |-- (386, 382), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:28:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:28:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.424782540000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.424782540000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.161651500000000 Atomic positions (fractional): 1 Na 0.96856168268376 0.69728206334720 0.50000000000000 22.990 2 Na 0.03143831731624 0.30271793665280 0.50000000000000 22.990 3 Na 0.53143831731624 0.19728206334720 0.00000000000000 22.990 4 Na 0.46856168268376 0.80271793665280 0.00000000000000 22.990 5 Na 0.69728206334720 0.96856168268376 0.50000000000000 22.990 6 Na 0.30271793665280 0.03143831731624 0.50000000000000 22.990 7 Na 0.19728206334720 0.53143831731624 0.00000000000000 22.990 8 Na 0.80271793665280 0.46856168268376 0.00000000000000 22.990 9 Na 0.38287509411175 0.38287509411175 0.50000000000000 22.990 10 Na 0.61712490588825 0.61712490588825 0.50000000000000 22.990 11 Na 0.11712490588825 0.88287509411175 0.00000000000000 22.990 12 Na 0.88287509411175 0.11712490588825 0.00000000000000 22.990 13 H 0.39862934378673 0.60137065621327 0.70223418995260 1.008 14 H 0.60137065621327 0.39862934378673 0.70223418995260 1.008 15 H 0.10137065621327 0.10137065621327 0.20223418995260 1.008 16 H 0.89862934378673 0.89862934378673 0.20223418995260 1.008 17 H 0.60137065621327 0.39862934378673 0.29776581004740 1.008 18 H 0.39862934378673 0.60137065621327 0.29776581004740 1.008 19 H 0.89862934378673 0.89862934378673 0.79776581004740 1.008 20 H 0.10137065621327 0.10137065621327 0.79776581004740 1.008 21 H 0.25960601161651 0.74039398838349 0.19650746511020 1.008 22 H 0.74039398838349 0.25960601161651 0.19650746511020 1.008 23 H 0.24039398838349 0.24039398838349 0.69650746511020 1.008 24 H 0.75960601161651 0.75960601161651 0.69650746511020 1.008 25 H 0.74039398838349 0.25960601161651 0.80349253488980 1.008 26 H 0.25960601161651 0.74039398838349 0.80349253488980 1.008 27 H 0.75960601161651 0.75960601161651 0.30349253488980 1.008 28 H 0.24039398838349 0.24039398838349 0.30349253488980 1.008 29 H 0.17621711211277 0.56511914889219 0.50000000000000 1.008 30 H 0.82378288788723 0.43488085110781 0.50000000000000 1.008 31 H 0.32378288788723 0.06511914889219 0.00000000000000 1.008 32 H 0.67621711211277 0.93488085110781 0.00000000000000 1.008 33 H 0.56511914889219 0.17621711211277 0.50000000000000 1.008 34 H 0.43488085110781 0.82378288788723 0.50000000000000 1.008 35 H 0.06511914889219 0.32378288788723 0.00000000000000 1.008 36 H 0.93488085110781 0.67621711211277 0.00000000000000 1.008 37 H 0.17392559540490 0.82607440459510 0.50000000000000 1.008 38 H 0.82607440459510 0.17392559540490 0.50000000000000 1.008 39 H 0.32607440459510 0.32607440459510 0.00000000000000 1.008 40 H 0.67392559540490 0.67392559540490 0.00000000000000 1.008 41 Os 0.29957728899480 0.70042271100520 0.50000000000000 190.230 42 Os 0.70042271100520 0.29957728899480 0.50000000000000 190.230 43 Os 0.20042271100520 0.20042271100520 0.00000000000000 190.230 44 Os 0.79957728899480 0.79957728899480 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.424782540000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.424782540000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.323302999999999 Atomic positions (fractional): 1 Na 0.96856168268376 0.69728206334720 0.25000000000000 22.990 > 1 2 Na 0.96856168268376 0.69728206334720 0.75000000000000 22.990 > 1 3 Na 0.03143831731624 0.30271793665280 0.25000000000000 22.990 > 3 4 Na 0.03143831731624 0.30271793665280 0.75000000000000 22.990 > 3 5 Na 0.53143831731624 0.19728206334720 0.00000000000000 22.990 > 5 6 Na 0.53143831731624 0.19728206334720 0.50000000000000 22.990 > 5 7 Na 0.46856168268376 0.80271793665280 0.00000000000000 22.990 > 7 8 Na 0.46856168268376 0.80271793665280 0.50000000000000 22.990 > 7 9 Na 0.69728206334720 0.96856168268376 0.25000000000000 22.990 > 9 10 Na 0.69728206334720 0.96856168268376 0.75000000000000 22.990 > 9 11 Na 0.30271793665280 0.03143831731624 0.25000000000000 22.990 > 11 12 Na 0.30271793665280 0.03143831731624 0.75000000000000 22.990 > 11 13 Na 0.19728206334720 0.53143831731624 0.00000000000000 22.990 > 13 14 Na 0.19728206334720 0.53143831731624 0.50000000000000 22.990 > 13 15 Na 0.80271793665280 0.46856168268376 0.00000000000000 22.990 > 15 16 Na 0.80271793665280 0.46856168268376 0.50000000000000 22.990 > 15 17 Na 0.38287509411175 0.38287509411175 0.25000000000000 22.990 > 17 18 Na 0.38287509411175 0.38287509411175 0.75000000000000 22.990 > 17 19 Na 0.61712490588825 0.61712490588825 0.25000000000000 22.990 > 19 20 Na 0.61712490588825 0.61712490588825 0.75000000000000 22.990 > 19 21 Na 0.11712490588825 0.88287509411175 0.00000000000000 22.990 > 21 22 Na 0.11712490588825 0.88287509411175 0.50000000000000 22.990 > 21 23 Na 0.88287509411175 0.11712490588825 0.00000000000000 22.990 > 23 24 Na 0.88287509411175 0.11712490588825 0.50000000000000 22.990 > 23 25 H 0.39862934378673 0.60137065621327 0.35111709497630 1.008 > 25 26 H 0.39862934378673 0.60137065621327 0.85111709497630 1.008 > 25 27 H 0.60137065621327 0.39862934378673 0.35111709497630 1.008 > 27 28 H 0.60137065621327 0.39862934378673 0.85111709497630 1.008 > 27 29 H 0.10137065621327 0.10137065621327 0.10111709497630 1.008 > 29 30 H 0.10137065621327 0.10137065621327 0.60111709497630 1.008 > 29 31 H 0.89862934378673 0.89862934378673 0.10111709497630 1.008 > 31 32 H 0.89862934378673 0.89862934378673 0.60111709497630 1.008 > 31 33 H 0.60137065621327 0.39862934378673 0.14888290502370 1.008 > 33 34 H 0.60137065621327 0.39862934378673 0.64888290502370 1.008 > 33 35 H 0.39862934378673 0.60137065621327 0.14888290502370 1.008 > 35 36 H 0.39862934378673 0.60137065621327 0.64888290502370 1.008 > 35 37 H 0.89862934378673 0.89862934378673 0.39888290502370 1.008 > 37 38 H 0.89862934378673 0.89862934378673 0.89888290502370 1.008 > 37 39 H 0.10137065621327 0.10137065621327 0.39888290502370 1.008 > 39 40 H 0.10137065621327 0.10137065621327 0.89888290502370 1.008 > 39 41 H 0.25960601161651 0.74039398838349 0.09825373255510 1.008 > 41 42 H 0.25960601161651 0.74039398838349 0.59825373255510 1.008 > 41 43 H 0.74039398838349 0.25960601161651 0.09825373255510 1.008 > 43 44 H 0.74039398838349 0.25960601161651 0.59825373255510 1.008 > 43 45 H 0.24039398838349 0.24039398838349 0.34825373255510 1.008 > 45 46 H 0.24039398838349 0.24039398838349 0.84825373255510 1.008 > 45 47 H 0.75960601161651 0.75960601161651 0.34825373255510 1.008 > 47 48 H 0.75960601161651 0.75960601161651 0.84825373255510 1.008 > 47 49 H 0.74039398838349 0.25960601161651 0.40174626744490 1.008 > 49 50 H 0.74039398838349 0.25960601161651 0.90174626744490 1.008 > 49 51 H 0.25960601161651 0.74039398838349 0.40174626744490 1.008 > 51 52 H 0.25960601161651 0.74039398838349 0.90174626744490 1.008 > 51 53 H 0.75960601161651 0.75960601161651 0.15174626744490 1.008 > 53 54 H 0.75960601161651 0.75960601161651 0.65174626744490 1.008 > 53 55 H 0.24039398838349 0.24039398838349 0.15174626744490 1.008 > 55 56 H 0.24039398838349 0.24039398838349 0.65174626744490 1.008 > 55 57 H 0.17621711211277 0.56511914889219 0.25000000000000 1.008 > 57 58 H 0.17621711211277 0.56511914889219 0.75000000000000 1.008 > 57 59 H 0.82378288788723 0.43488085110781 0.25000000000000 1.008 > 59 60 H 0.82378288788723 0.43488085110781 0.75000000000000 1.008 > 59 61 H 0.32378288788723 0.06511914889219 0.00000000000000 1.008 > 61 62 H 0.32378288788723 0.06511914889219 0.50000000000000 1.008 > 61 63 H 0.67621711211277 0.93488085110781 0.00000000000000 1.008 > 63 64 H 0.67621711211277 0.93488085110781 0.50000000000000 1.008 > 63 65 H 0.56511914889219 0.17621711211277 0.25000000000000 1.008 > 65 66 H 0.56511914889219 0.17621711211277 0.75000000000000 1.008 > 65 67 H 0.43488085110781 0.82378288788723 0.25000000000000 1.008 > 67 68 H 0.43488085110781 0.82378288788723 0.75000000000000 1.008 > 67 69 H 0.06511914889219 0.32378288788723 0.00000000000000 1.008 > 69 70 H 0.06511914889219 0.32378288788723 0.50000000000000 1.008 > 69 71 H 0.93488085110781 0.67621711211277 0.00000000000000 1.008 > 71 72 H 0.93488085110781 0.67621711211277 0.50000000000000 1.008 > 71 73 H 0.17392559540490 0.82607440459510 0.25000000000000 1.008 > 73 74 H 0.17392559540490 0.82607440459510 0.75000000000000 1.008 > 73 75 H 0.82607440459510 0.17392559540490 0.25000000000000 1.008 > 75 76 H 0.82607440459510 0.17392559540490 0.75000000000000 1.008 > 75 77 H 0.32607440459510 0.32607440459510 0.00000000000000 1.008 > 77 78 H 0.32607440459510 0.32607440459510 0.50000000000000 1.008 > 77 79 H 0.67392559540490 0.67392559540490 0.00000000000000 1.008 > 79 80 H 0.67392559540490 0.67392559540490 0.50000000000000 1.008 > 79 81 Os 0.29957728899480 0.70042271100520 0.25000000000000 190.230 > 81 82 Os 0.29957728899480 0.70042271100520 0.75000000000000 190.230 > 81 83 Os 0.70042271100520 0.29957728899480 0.25000000000000 190.230 > 83 84 Os 0.70042271100520 0.29957728899480 0.75000000000000 190.230 > 83 85 Os 0.20042271100520 0.20042271100520 0.00000000000000 190.230 > 85 86 Os 0.20042271100520 0.20042271100520 0.50000000000000 190.230 > 85 87 Os 0.79957728899480 0.79957728899480 0.00000000000000 190.230 > 87 88 Os 0.79957728899480 0.79957728899480 0.50000000000000 190.230 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5093332 0.0000000 0.0000000 0.0000000 3.5093332 0.0000000 0.0000000 0.0000000 3.5769569 -------------------------- Born effective charges -------------------------- 1 Na 1.1825098 0.0002064 0.0000000 0.0103455 0.8249699 0.0000000 0.0000000 0.0000000 1.1158139 2 Na 1.1825098 0.0002064 0.0000000 0.0103455 0.8249699 0.0000000 0.0000000 0.0000000 1.1158139 3 Na 1.1825098 -0.0002064 0.0000000 -0.0103455 0.8249699 0.0000000 0.0000000 0.0000000 1.1158139 4 Na 1.1825098 -0.0002064 0.0000000 -0.0103455 0.8249699 0.0000000 0.0000000 0.0000000 1.1158139 5 Na 0.8249699 0.0103455 0.0000000 0.0002064 1.1825098 0.0000000 0.0000000 0.0000000 1.1158139 6 Na 0.8249699 0.0103455 0.0000000 0.0002064 1.1825098 0.0000000 0.0000000 0.0000000 1.1158139 7 Na 0.8249699 -0.0103455 0.0000000 -0.0002064 1.1825098 0.0000000 0.0000000 0.0000000 1.1158139 8 Na 0.8249699 -0.0103455 0.0000000 -0.0002064 1.1825098 0.0000000 0.0000000 0.0000000 1.1158139 9 Na 1.0871849 -0.0574603 0.0000000 -0.0574603 1.0871849 0.0000000 0.0000000 0.0000000 0.9145682 10 Na 1.0871849 -0.0574603 0.0000000 -0.0574603 1.0871849 0.0000000 0.0000000 0.0000000 0.9145682 11 Na 1.0871849 0.0574603 0.0000000 0.0574603 1.0871849 0.0000000 0.0000000 0.0000000 0.9145682 12 Na 1.0871849 0.0574603 0.0000000 0.0574603 1.0871849 0.0000000 0.0000000 0.0000000 0.9145682 13 H -0.1141830 0.3080799 -0.3070416 0.3080799 -0.1141830 0.3070416 -0.3340932 0.3340932 -0.1678315 14 H -0.1141830 0.3080799 0.3070416 0.3080799 -0.1141830 -0.3070416 0.3340932 -0.3340932 -0.1678315 15 H -0.1141830 -0.3080799 0.3070416 -0.3080799 -0.1141830 0.3070416 0.3340932 0.3340932 -0.1678315 16 H -0.1141830 -0.3080799 -0.3070416 -0.3080799 -0.1141830 -0.3070416 -0.3340932 -0.3340932 -0.1678315 17 H -0.1141830 0.3080799 -0.3070416 0.3080799 -0.1141830 0.3070416 -0.3340932 0.3340932 -0.1678315 18 H -0.1141830 0.3080799 0.3070416 0.3080799 -0.1141830 -0.3070416 0.3340932 -0.3340932 -0.1678315 19 H -0.1141830 -0.3080799 0.3070416 -0.3080799 -0.1141830 0.3070416 0.3340932 0.3340932 -0.1678315 20 H -0.1141830 -0.3080799 -0.3070416 -0.3080799 -0.1141830 -0.3070416 -0.3340932 -0.3340932 -0.1678315 21 H 0.1805174 0.0689262 -0.1924858 0.0689262 0.1805174 0.1924858 -0.2418154 0.2418154 -0.6476574 22 H 0.1805174 0.0689262 0.1924858 0.0689262 0.1805174 -0.1924858 0.2418154 -0.2418154 -0.6476574 23 H 0.1805174 -0.0689262 0.1924858 -0.0689262 0.1805174 0.1924858 0.2418154 0.2418154 -0.6476574 24 H 0.1805174 -0.0689262 -0.1924858 -0.0689262 0.1805174 -0.1924858 -0.2418154 -0.2418154 -0.6476574 25 H 0.1805174 0.0689262 -0.1924858 0.0689262 0.1805174 0.1924858 -0.2418154 0.2418154 -0.6476574 26 H 0.1805174 0.0689262 0.1924858 0.0689262 0.1805174 -0.1924858 0.2418154 -0.2418154 -0.6476574 27 H 0.1805174 -0.0689262 0.1924858 -0.0689262 0.1805174 0.1924858 0.2418154 0.2418154 -0.6476574 28 H 0.1805174 -0.0689262 -0.1924858 -0.0689262 0.1805174 -0.1924858 -0.2418154 -0.2418154 -0.6476574 29 H -0.4465206 -0.6722125 0.0000000 -0.6808854 -0.6237186 0.0000000 0.0000000 0.0000000 0.1742869 30 H -0.4465206 -0.6722125 0.0000000 -0.6808854 -0.6237186 0.0000000 0.0000000 0.0000000 0.1742869 31 H -0.4465206 0.6722125 0.0000000 0.6808854 -0.6237186 0.0000000 0.0000000 0.0000000 0.1742869 32 H -0.4465206 0.6722125 0.0000000 0.6808854 -0.6237186 0.0000000 0.0000000 0.0000000 0.1742869 33 H -0.6237186 -0.6808854 0.0000000 -0.6722125 -0.4465206 0.0000000 0.0000000 0.0000000 0.1742869 34 H -0.6237186 -0.6808854 0.0000000 -0.6722125 -0.4465206 0.0000000 0.0000000 0.0000000 0.1742869 35 H -0.6237186 0.6808854 0.0000000 0.6722125 -0.4465206 0.0000000 0.0000000 0.0000000 0.1742869 36 H -0.6237186 0.6808854 0.0000000 0.6722125 -0.4465206 0.0000000 0.0000000 0.0000000 0.1742869 37 H -0.2440299 0.4706675 0.0000000 0.4706675 -0.2440299 0.0000000 0.0000000 0.0000000 0.2673774 38 H -0.2440299 0.4706675 0.0000000 0.4706675 -0.2440299 0.0000000 0.0000000 0.0000000 0.2673774 39 H -0.2440299 -0.4706675 0.0000000 -0.4706675 -0.2440299 0.0000000 0.0000000 0.0000000 0.2673774 40 H -0.2440299 -0.4706675 0.0000000 -0.4706675 -0.2440299 0.0000000 0.0000000 0.0000000 0.2673774 41 Os -1.9130643 0.1093616 0.0000000 0.1093616 -1.9130643 0.0000000 0.0000000 0.0000000 -2.1311696 42 Os -1.9130643 0.1093616 0.0000000 0.1093616 -1.9130643 0.0000000 0.0000000 0.0000000 -2.1311696 43 Os -1.9130643 -0.1093616 0.0000000 -0.1093616 -1.9130643 0.0000000 0.0000000 0.0000000 -2.1311696 44 Os -1.9130643 -0.1093616 0.0000000 -0.1093616 -1.9130643 0.0000000 0.0000000 0.0000000 -2.1311696 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 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: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yz) -0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:28:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:28:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/mnm (136) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.424782540000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.424782540000001 0.000000000000000 c 0.000000000000000 0.000000000000000 5.161651500000000 Atomic positions (fractional): 1 Na 0.96856168268376 0.69728206334720 0.50000000000000 22.990 2 Na 0.03143831731624 0.30271793665280 0.50000000000000 22.990 3 Na 0.53143831731624 0.19728206334720 0.00000000000000 22.990 4 Na 0.46856168268376 0.80271793665280 0.00000000000000 22.990 5 Na 0.69728206334720 0.96856168268376 0.50000000000000 22.990 6 Na 0.30271793665280 0.03143831731624 0.50000000000000 22.990 7 Na 0.19728206334720 0.53143831731624 0.00000000000000 22.990 8 Na 0.80271793665280 0.46856168268376 0.00000000000000 22.990 9 Na 0.38287509411175 0.38287509411175 0.50000000000000 22.990 10 Na 0.61712490588825 0.61712490588825 0.50000000000000 22.990 11 Na 0.11712490588825 0.88287509411175 0.00000000000000 22.990 12 Na 0.88287509411175 0.11712490588825 0.00000000000000 22.990 13 H 0.39862934378673 0.60137065621327 0.70223418995260 1.008 14 H 0.60137065621327 0.39862934378673 0.70223418995260 1.008 15 H 0.10137065621327 0.10137065621327 0.20223418995260 1.008 16 H 0.89862934378673 0.89862934378673 0.20223418995260 1.008 17 H 0.60137065621327 0.39862934378673 0.29776581004740 1.008 18 H 0.39862934378673 0.60137065621327 0.29776581004740 1.008 19 H 0.89862934378673 0.89862934378673 0.79776581004740 1.008 20 H 0.10137065621327 0.10137065621327 0.79776581004740 1.008 21 H 0.25960601161651 0.74039398838349 0.19650746511020 1.008 22 H 0.74039398838349 0.25960601161651 0.19650746511020 1.008 23 H 0.24039398838349 0.24039398838349 0.69650746511020 1.008 24 H 0.75960601161651 0.75960601161651 0.69650746511020 1.008 25 H 0.74039398838349 0.25960601161651 0.80349253488980 1.008 26 H 0.25960601161651 0.74039398838349 0.80349253488980 1.008 27 H 0.75960601161651 0.75960601161651 0.30349253488980 1.008 28 H 0.24039398838349 0.24039398838349 0.30349253488980 1.008 29 H 0.17621711211277 0.56511914889219 0.50000000000000 1.008 30 H 0.82378288788723 0.43488085110781 0.50000000000000 1.008 31 H 0.32378288788723 0.06511914889219 0.00000000000000 1.008 32 H 0.67621711211277 0.93488085110781 0.00000000000000 1.008 33 H 0.56511914889219 0.17621711211277 0.50000000000000 1.008 34 H 0.43488085110781 0.82378288788723 0.50000000000000 1.008 35 H 0.06511914889219 0.32378288788723 0.00000000000000 1.008 36 H 0.93488085110781 0.67621711211277 0.00000000000000 1.008 37 H 0.17392559540490 0.82607440459510 0.50000000000000 1.008 38 H 0.82607440459510 0.17392559540490 0.50000000000000 1.008 39 H 0.32607440459510 0.32607440459510 0.00000000000000 1.008 40 H 0.67392559540490 0.67392559540490 0.00000000000000 1.008 41 Os 0.29957728899480 0.70042271100520 0.50000000000000 190.230 42 Os 0.70042271100520 0.29957728899480 0.50000000000000 190.230 43 Os 0.20042271100520 0.20042271100520 0.00000000000000 190.230 44 Os 0.79957728899480 0.79957728899480 0.00000000000000 190.230 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.424782540000001 0.000000000000000 0.000000000000000 b 0.000000000000000 9.424782540000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.323302999999999 Atomic positions (fractional): 1 Na 0.96856168268376 0.69728206334720 0.25000000000000 22.990 > 1 2 Na 0.96856168268376 0.69728206334720 0.75000000000000 22.990 > 1 3 Na 0.03143831731624 0.30271793665280 0.25000000000000 22.990 > 3 4 Na 0.03143831731624 0.30271793665280 0.75000000000000 22.990 > 3 5 Na 0.53143831731624 0.19728206334720 0.00000000000000 22.990 > 5 6 Na 0.53143831731624 0.19728206334720 0.50000000000000 22.990 > 5 7 Na 0.46856168268376 0.80271793665280 0.00000000000000 22.990 > 7 8 Na 0.46856168268376 0.80271793665280 0.50000000000000 22.990 > 7 9 Na 0.69728206334720 0.96856168268376 0.25000000000000 22.990 > 9 10 Na 0.69728206334720 0.96856168268376 0.75000000000000 22.990 > 9 11 Na 0.30271793665280 0.03143831731624 0.25000000000000 22.990 > 11 12 Na 0.30271793665280 0.03143831731624 0.75000000000000 22.990 > 11 13 Na 0.19728206334720 0.53143831731624 0.00000000000000 22.990 > 13 14 Na 0.19728206334720 0.53143831731624 0.50000000000000 22.990 > 13 15 Na 0.80271793665280 0.46856168268376 0.00000000000000 22.990 > 15 16 Na 0.80271793665280 0.46856168268376 0.50000000000000 22.990 > 15 17 Na 0.38287509411175 0.38287509411175 0.25000000000000 22.990 > 17 18 Na 0.38287509411175 0.38287509411175 0.75000000000000 22.990 > 17 19 Na 0.61712490588825 0.61712490588825 0.25000000000000 22.990 > 19 20 Na 0.61712490588825 0.61712490588825 0.75000000000000 22.990 > 19 21 Na 0.11712490588825 0.88287509411175 0.00000000000000 22.990 > 21 22 Na 0.11712490588825 0.88287509411175 0.50000000000000 22.990 > 21 23 Na 0.88287509411175 0.11712490588825 0.00000000000000 22.990 > 23 24 Na 0.88287509411175 0.11712490588825 0.50000000000000 22.990 > 23 25 H 0.39862934378673 0.60137065621327 0.35111709497630 1.008 > 25 26 H 0.39862934378673 0.60137065621327 0.85111709497630 1.008 > 25 27 H 0.60137065621327 0.39862934378673 0.35111709497630 1.008 > 27 28 H 0.60137065621327 0.39862934378673 0.85111709497630 1.008 > 27 29 H 0.10137065621327 0.10137065621327 0.10111709497630 1.008 > 29 30 H 0.10137065621327 0.10137065621327 0.60111709497630 1.008 > 29 31 H 0.89862934378673 0.89862934378673 0.10111709497630 1.008 > 31 32 H 0.89862934378673 0.89862934378673 0.60111709497630 1.008 > 31 33 H 0.60137065621327 0.39862934378673 0.14888290502370 1.008 > 33 34 H 0.60137065621327 0.39862934378673 0.64888290502370 1.008 > 33 35 H 0.39862934378673 0.60137065621327 0.14888290502370 1.008 > 35 36 H 0.39862934378673 0.60137065621327 0.64888290502370 1.008 > 35 37 H 0.89862934378673 0.89862934378673 0.39888290502370 1.008 > 37 38 H 0.89862934378673 0.89862934378673 0.89888290502370 1.008 > 37 39 H 0.10137065621327 0.10137065621327 0.39888290502370 1.008 > 39 40 H 0.10137065621327 0.10137065621327 0.89888290502370 1.008 > 39 41 H 0.25960601161651 0.74039398838349 0.09825373255510 1.008 > 41 42 H 0.25960601161651 0.74039398838349 0.59825373255510 1.008 > 41 43 H 0.74039398838349 0.25960601161651 0.09825373255510 1.008 > 43 44 H 0.74039398838349 0.25960601161651 0.59825373255510 1.008 > 43 45 H 0.24039398838349 0.24039398838349 0.34825373255510 1.008 > 45 46 H 0.24039398838349 0.24039398838349 0.84825373255510 1.008 > 45 47 H 0.75960601161651 0.75960601161651 0.34825373255510 1.008 > 47 48 H 0.75960601161651 0.75960601161651 0.84825373255510 1.008 > 47 49 H 0.74039398838349 0.25960601161651 0.40174626744490 1.008 > 49 50 H 0.74039398838349 0.25960601161651 0.90174626744490 1.008 > 49 51 H 0.25960601161651 0.74039398838349 0.40174626744490 1.008 > 51 52 H 0.25960601161651 0.74039398838349 0.90174626744490 1.008 > 51 53 H 0.75960601161651 0.75960601161651 0.15174626744490 1.008 > 53 54 H 0.75960601161651 0.75960601161651 0.65174626744490 1.008 > 53 55 H 0.24039398838349 0.24039398838349 0.15174626744490 1.008 > 55 56 H 0.24039398838349 0.24039398838349 0.65174626744490 1.008 > 55 57 H 0.17621711211277 0.56511914889219 0.25000000000000 1.008 > 57 58 H 0.17621711211277 0.56511914889219 0.75000000000000 1.008 > 57 59 H 0.82378288788723 0.43488085110781 0.25000000000000 1.008 > 59 60 H 0.82378288788723 0.43488085110781 0.75000000000000 1.008 > 59 61 H 0.32378288788723 0.06511914889219 0.00000000000000 1.008 > 61 62 H 0.32378288788723 0.06511914889219 0.50000000000000 1.008 > 61 63 H 0.67621711211277 0.93488085110781 0.00000000000000 1.008 > 63 64 H 0.67621711211277 0.93488085110781 0.50000000000000 1.008 > 63 65 H 0.56511914889219 0.17621711211277 0.25000000000000 1.008 > 65 66 H 0.56511914889219 0.17621711211277 0.75000000000000 1.008 > 65 67 H 0.43488085110781 0.82378288788723 0.25000000000000 1.008 > 67 68 H 0.43488085110781 0.82378288788723 0.75000000000000 1.008 > 67 69 H 0.06511914889219 0.32378288788723 0.00000000000000 1.008 > 69 70 H 0.06511914889219 0.32378288788723 0.50000000000000 1.008 > 69 71 H 0.93488085110781 0.67621711211277 0.00000000000000 1.008 > 71 72 H 0.93488085110781 0.67621711211277 0.50000000000000 1.008 > 71 73 H 0.17392559540490 0.82607440459510 0.25000000000000 1.008 > 73 74 H 0.17392559540490 0.82607440459510 0.75000000000000 1.008 > 73 75 H 0.82607440459510 0.17392559540490 0.25000000000000 1.008 > 75 76 H 0.82607440459510 0.17392559540490 0.75000000000000 1.008 > 75 77 H 0.32607440459510 0.32607440459510 0.00000000000000 1.008 > 77 78 H 0.32607440459510 0.32607440459510 0.50000000000000 1.008 > 77 79 H 0.67392559540490 0.67392559540490 0.00000000000000 1.008 > 79 80 H 0.67392559540490 0.67392559540490 0.50000000000000 1.008 > 79 81 Os 0.29957728899480 0.70042271100520 0.25000000000000 190.230 > 81 82 Os 0.29957728899480 0.70042271100520 0.75000000000000 190.230 > 81 83 Os 0.70042271100520 0.29957728899480 0.25000000000000 190.230 > 83 84 Os 0.70042271100520 0.29957728899480 0.75000000000000 190.230 > 83 85 Os 0.20042271100520 0.20042271100520 0.00000000000000 190.230 > 85 86 Os 0.20042271100520 0.20042271100520 0.50000000000000 190.230 > 85 87 Os 0.79957728899480 0.79957728899480 0.00000000000000 190.230 > 87 88 Os 0.79957728899480 0.79957728899480 0.50000000000000 190.230 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5093332 0.0000000 0.0000000 0.0000000 3.5093332 0.0000000 0.0000000 0.0000000 3.5769569 -------------------------- Born effective charges -------------------------- 1 Na 1.1825098 0.0002064 0.0000000 0.0103455 0.8249699 0.0000000 0.0000000 0.0000000 1.1158139 2 Na 1.1825098 0.0002064 0.0000000 0.0103455 0.8249699 0.0000000 0.0000000 0.0000000 1.1158139 3 Na 1.1825098 -0.0002064 0.0000000 -0.0103455 0.8249699 0.0000000 0.0000000 0.0000000 1.1158139 4 Na 1.1825098 -0.0002064 0.0000000 -0.0103455 0.8249699 0.0000000 0.0000000 0.0000000 1.1158139 5 Na 0.8249699 0.0103455 0.0000000 0.0002064 1.1825098 0.0000000 0.0000000 0.0000000 1.1158139 6 Na 0.8249699 0.0103455 0.0000000 0.0002064 1.1825098 0.0000000 0.0000000 0.0000000 1.1158139 7 Na 0.8249699 -0.0103455 0.0000000 -0.0002064 1.1825098 0.0000000 0.0000000 0.0000000 1.1158139 8 Na 0.8249699 -0.0103455 0.0000000 -0.0002064 1.1825098 0.0000000 0.0000000 0.0000000 1.1158139 9 Na 1.0871849 -0.0574603 0.0000000 -0.0574603 1.0871849 0.0000000 0.0000000 0.0000000 0.9145682 10 Na 1.0871849 -0.0574603 0.0000000 -0.0574603 1.0871849 0.0000000 0.0000000 0.0000000 0.9145682 11 Na 1.0871849 0.0574603 0.0000000 0.0574603 1.0871849 0.0000000 0.0000000 0.0000000 0.9145682 12 Na 1.0871849 0.0574603 0.0000000 0.0574603 1.0871849 0.0000000 0.0000000 0.0000000 0.9145682 13 H -0.1141830 0.3080799 -0.3070416 0.3080799 -0.1141830 0.3070416 -0.3340932 0.3340932 -0.1678315 14 H -0.1141830 0.3080799 0.3070416 0.3080799 -0.1141830 -0.3070416 0.3340932 -0.3340932 -0.1678315 15 H -0.1141830 -0.3080799 0.3070416 -0.3080799 -0.1141830 0.3070416 0.3340932 0.3340932 -0.1678315 16 H -0.1141830 -0.3080799 -0.3070416 -0.3080799 -0.1141830 -0.3070416 -0.3340932 -0.3340932 -0.1678315 17 H -0.1141830 0.3080799 -0.3070416 0.3080799 -0.1141830 0.3070416 -0.3340932 0.3340932 -0.1678315 18 H -0.1141830 0.3080799 0.3070416 0.3080799 -0.1141830 -0.3070416 0.3340932 -0.3340932 -0.1678315 19 H -0.1141830 -0.3080799 0.3070416 -0.3080799 -0.1141830 0.3070416 0.3340932 0.3340932 -0.1678315 20 H -0.1141830 -0.3080799 -0.3070416 -0.3080799 -0.1141830 -0.3070416 -0.3340932 -0.3340932 -0.1678315 21 H 0.1805174 0.0689262 -0.1924858 0.0689262 0.1805174 0.1924858 -0.2418154 0.2418154 -0.6476574 22 H 0.1805174 0.0689262 0.1924858 0.0689262 0.1805174 -0.1924858 0.2418154 -0.2418154 -0.6476574 23 H 0.1805174 -0.0689262 0.1924858 -0.0689262 0.1805174 0.1924858 0.2418154 0.2418154 -0.6476574 24 H 0.1805174 -0.0689262 -0.1924858 -0.0689262 0.1805174 -0.1924858 -0.2418154 -0.2418154 -0.6476574 25 H 0.1805174 0.0689262 -0.1924858 0.0689262 0.1805174 0.1924858 -0.2418154 0.2418154 -0.6476574 26 H 0.1805174 0.0689262 0.1924858 0.0689262 0.1805174 -0.1924858 0.2418154 -0.2418154 -0.6476574 27 H 0.1805174 -0.0689262 0.1924858 -0.0689262 0.1805174 0.1924858 0.2418154 0.2418154 -0.6476574 28 H 0.1805174 -0.0689262 -0.1924858 -0.0689262 0.1805174 -0.1924858 -0.2418154 -0.2418154 -0.6476574 29 H -0.4465206 -0.6722125 0.0000000 -0.6808854 -0.6237186 0.0000000 0.0000000 0.0000000 0.1742869 30 H -0.4465206 -0.6722125 0.0000000 -0.6808854 -0.6237186 0.0000000 0.0000000 0.0000000 0.1742869 31 H -0.4465206 0.6722125 0.0000000 0.6808854 -0.6237186 0.0000000 0.0000000 0.0000000 0.1742869 32 H -0.4465206 0.6722125 0.0000000 0.6808854 -0.6237186 0.0000000 0.0000000 0.0000000 0.1742869 33 H -0.6237186 -0.6808854 0.0000000 -0.6722125 -0.4465206 0.0000000 0.0000000 0.0000000 0.1742869 34 H -0.6237186 -0.6808854 0.0000000 -0.6722125 -0.4465206 0.0000000 0.0000000 0.0000000 0.1742869 35 H -0.6237186 0.6808854 0.0000000 0.6722125 -0.4465206 0.0000000 0.0000000 0.0000000 0.1742869 36 H -0.6237186 0.6808854 0.0000000 0.6722125 -0.4465206 0.0000000 0.0000000 0.0000000 0.1742869 37 H -0.2440299 0.4706675 0.0000000 0.4706675 -0.2440299 0.0000000 0.0000000 0.0000000 0.2673774 38 H -0.2440299 0.4706675 0.0000000 0.4706675 -0.2440299 0.0000000 0.0000000 0.0000000 0.2673774 39 H -0.2440299 -0.4706675 0.0000000 -0.4706675 -0.2440299 0.0000000 0.0000000 0.0000000 0.2673774 40 H -0.2440299 -0.4706675 0.0000000 -0.4706675 -0.2440299 0.0000000 0.0000000 0.0000000 0.2673774 41 Os -1.9130643 0.1093616 0.0000000 0.1093616 -1.9130643 0.0000000 0.0000000 0.0000000 -2.1311696 42 Os -1.9130643 0.1093616 0.0000000 0.1093616 -1.9130643 0.0000000 0.0000000 0.0000000 -2.1311696 43 Os -1.9130643 -0.1093616 0.0000000 -0.1093616 -1.9130643 0.0000000 0.0000000 0.0000000 -2.1311696 44 Os -1.9130643 -0.1093616 0.0000000 -0.1093616 -1.9130643 0.0000000 0.0000000 0.0000000 -2.1311696 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 5 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 36 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 0.732 ( 0.000 0.000 0.000) 0.000 1.474 ( 0.000 0.000 0.000) 0.000 1.474 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 0.000) 0.000 2.871 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.317 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.332 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.051 ( 0.000 0.000 0.000) 0.000 4.270 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.857 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.298 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.670 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 5.934 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 0.000) 0.000 6.699 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 6.912 ( 0.000 0.000 0.000) 0.000 7.804 ( 0.000 0.000 0.000) 0.000 10.137 ( 0.000 0.000 0.000) 0.000 10.345 ( 0.000 0.000 0.000) 0.000 10.345 ( 0.000 0.000 0.000) 0.000 10.528 ( 0.000 0.000 0.000) 0.000 11.808 ( 0.000 0.000 0.000) 0.000 11.880 ( 0.000 0.000 0.000) 0.000 11.880 ( 0.000 0.000 0.000) 0.000 12.116 ( 0.000 0.000 0.000) 0.000 14.617 ( 0.000 0.000 0.000) 0.000 14.789 ( 0.000 0.000 0.000) 0.000 14.801 ( 0.000 0.000 0.000) 0.000 14.801 ( 0.000 0.000 0.000) 0.000 18.236 ( 0.000 0.000 0.000) 0.000 18.322 ( 0.000 0.000 0.000) 0.000 18.348 ( 0.000 0.000 0.000) 0.000 18.348 ( 0.000 0.000 0.000) 0.000 18.432 ( 0.000 0.000 0.000) 0.000 18.481 ( 0.000 0.000 0.000) 0.000 18.481 ( 0.000 0.000 0.000) 0.000 18.517 ( 0.000 0.000 0.000) 0.000 19.412 ( 0.000 0.000 0.000) 0.000 19.412 ( 0.000 0.000 0.000) 0.000 19.414 ( 0.000 0.000 0.000) 0.000 19.420 ( 0.000 0.000 0.000) 0.000 21.823 ( 0.000 0.000 0.000) 0.000 21.823 ( 0.000 0.000 0.000) 0.000 22.036 ( 0.000 0.000 0.000) 0.000 22.060 ( 0.000 0.000 0.000) 0.000 22.504 ( 0.000 0.000 0.000) 0.000 22.585 ( 0.000 0.000 0.000) 0.000 22.601 ( 0.000 0.000 0.000) 0.000 22.601 ( 0.000 0.000 0.000) 0.000 22.750 ( 0.000 0.000 0.000) 0.000 22.750 ( 0.000 0.000 0.000) 0.000 22.775 ( 0.000 0.000 0.000) 0.000 22.801 ( 0.000 0.000 0.000) 0.000 24.125 ( 0.000 0.000 0.000) 0.000 24.189 ( 0.000 0.000 0.000) 0.000 24.189 ( 0.000 0.000 0.000) 0.000 24.681 ( 0.000 0.000 0.000) 0.000 24.725 ( 0.000 0.000 0.000) 0.000 24.725 ( 0.000 0.000 0.000) 0.000 24.753 ( 0.000 0.000 0.000) 0.000 24.818 ( 0.000 0.000 0.000) 0.000 25.325 ( 0.000 0.000 0.000) 0.000 25.572 ( 0.000 0.000 0.000) 0.000 25.572 ( 0.000 0.000 0.000) 0.000 25.829 ( 0.000 0.000 0.000) 0.000 29.709 ( 0.000 0.000 0.000) 0.000 29.709 ( 0.000 0.000 0.000) 0.000 29.718 ( 0.000 0.000 0.000) 0.000 29.726 ( 0.000 0.000 0.000) 0.000 30.284 ( 0.000 0.000 0.000) 0.000 30.284 ( 0.000 0.000 0.000) 0.000 30.342 ( 0.000 0.000 0.000) 0.000 30.429 ( 0.000 0.000 0.000) 0.000 46.424 ( 0.000 0.000 0.000) 0.000 46.467 ( 0.000 0.000 0.000) 0.000 46.467 ( 0.000 0.000 0.000) 0.000 48.691 ( 0.000 0.000 0.000) 0.000 55.793 ( 0.000 0.000 0.000) 0.000 55.793 ( 0.000 0.000 0.000) 0.000 55.945 ( 0.000 0.000 0.000) 0.000 56.013 ( 0.000 0.000 0.000) 0.000 56.286 ( 0.000 0.000 0.000) 0.000 56.292 ( 0.000 0.000 0.000) 0.000 56.292 ( 0.000 0.000 0.000) 0.000 56.367 ( 0.000 0.000 0.000) 0.000 56.367 ( 0.000 0.000 0.000) 0.000 56.940 ( 0.000 0.000 0.000) 0.000 57.053 ( 0.000 0.000 0.000) 0.000 57.527 ( 0.000 0.000 0.000) 0.000 60.000 ( 0.000 0.000 0.000) 0.000 60.032 ( 0.000 0.000 0.000) 0.000 60.032 ( 0.000 0.000 0.000) 0.000 60.211 ( 0.000 0.000 0.000) 0.000 61.829 ( 0.000 0.000 0.000) 0.000 61.829 ( 0.000 0.000 0.000) 0.000 61.848 ( 0.000 0.000 0.000) 0.000 61.877 ( 0.000 0.000 0.000) 0.000 65.175 ( 0.000 0.000 0.000) 0.000 65.187 ( 0.000 0.000 0.000) 0.000 65.187 ( 0.000 0.000 0.000) 0.000 65.220 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 19.500 0.000 0.000) 19.500 0.449 ( 20.699 0.000 0.000) 20.699 0.835 ( 31.495 0.000 0.000) 31.495 0.998 ( 23.191 0.000 0.000) 23.191 1.414 ( -5.956 0.000 0.000) 5.956 1.497 ( 2.042 0.000 0.000) 2.042 1.756 ( -5.196 0.000 0.000) 5.196 2.005 ( -2.104 0.000 0.000) 2.104 2.340 ( -6.231 0.000 0.000) 6.231 2.487 ( -2.412 0.000 0.000) 2.412 2.518 ( -1.000 0.000 0.000) 1.000 2.712 ( -5.814 0.000 0.000) 5.814 2.738 ( -7.007 0.000 0.000) 7.007 2.965 ( 6.435 0.000 0.000) 6.435 2.975 ( 8.204 0.000 0.000) 8.204 3.187 ( -13.689 0.000 0.000) 13.689 3.266 ( -3.088 0.000 0.000) 3.088 3.376 ( 5.126 0.000 0.000) 5.126 3.390 ( -3.195 0.000 0.000) 3.195 3.473 ( -3.896 0.000 0.000) 3.896 3.474 ( 0.175 0.000 0.000) 0.175 3.849 ( 5.479 0.000 0.000) 5.479 3.894 ( 11.514 0.000 0.000) 11.514 3.945 ( -8.810 0.000 0.000) 8.810 4.061 ( 0.912 0.000 0.000) 0.912 4.182 ( -3.566 0.000 0.000) 3.566 4.292 ( 1.618 0.000 0.000) 1.618 4.355 ( -2.955 0.000 0.000) 2.955 4.388 ( -0.783 0.000 0.000) 0.783 4.576 ( 11.138 0.000 0.000) 11.138 4.747 ( -8.062 0.000 0.000) 8.062 4.836 ( 1.105 0.000 0.000) 1.105 4.857 ( 0.471 0.000 0.000) 0.471 4.985 ( 5.082 0.000 0.000) 5.082 4.999 ( 2.838 0.000 0.000) 2.838 5.155 ( -4.598 0.000 0.000) 4.598 5.279 ( -1.363 0.000 0.000) 1.363 5.471 ( 2.706 0.000 0.000) 2.706 5.583 ( -7.601 0.000 0.000) 7.601 5.777 ( -2.441 0.000 0.000) 2.441 5.857 ( -2.886 0.000 0.000) 2.886 5.924 ( -5.339 0.000 0.000) 5.339 6.058 ( 6.554 0.000 0.000) 6.554 6.573 ( -7.273 0.000 0.000) 7.273 6.959 ( 3.937 0.000 0.000) 3.937 6.978 ( 10.006 0.000 0.000) 10.006 7.299 ( 2.434 0.000 0.000) 2.434 7.755 ( -4.508 0.000 0.000) 4.508 10.156 ( 1.742 0.000 0.000) 1.742 10.324 ( -1.880 0.000 0.000) 1.880 10.363 ( 1.657 0.000 0.000) 1.657 10.511 ( -1.513 0.000 0.000) 1.513 11.811 ( 0.416 0.000 0.000) 0.416 11.872 ( -0.742 0.000 0.000) 0.742 11.906 ( 2.314 0.000 0.000) 2.314 12.095 ( -1.891 0.000 0.000) 1.891 14.634 ( 1.494 0.000 0.000) 1.494 14.764 ( -1.685 0.000 0.000) 1.685 14.807 ( 0.228 0.000 0.000) 0.228 14.813 ( 0.476 0.000 0.000) 0.476 18.243 ( 0.637 0.000 0.000) 0.637 18.310 ( -0.939 0.000 0.000) 0.939 18.349 ( 0.091 0.000 0.000) 0.091 18.351 ( 0.175 0.000 0.000) 0.175 18.433 ( 0.069 0.000 0.000) 0.069 18.468 ( -0.913 0.000 0.000) 0.913 18.523 ( 0.411 0.000 0.000) 0.411 18.528 ( 0.094 0.000 0.000) 0.094 19.412 ( 0.005 0.000 0.000) 0.005 19.412 ( 0.014 0.000 0.000) 0.014 19.414 ( 0.038 0.000 0.000) 0.038 19.419 ( -0.053 0.000 0.000) 0.053 21.825 ( 0.213 0.000 0.000) 0.213 21.826 ( 0.232 0.000 0.000) 0.232 22.035 ( -0.039 0.000 0.000) 0.039 22.055 ( -0.430 0.000 0.000) 0.430 22.511 ( 0.603 0.000 0.000) 0.603 22.573 ( -0.899 0.000 0.000) 0.899 22.603 ( 0.135 0.000 0.000) 0.135 22.606 ( 0.229 0.000 0.000) 0.229 22.752 ( 0.173 0.000 0.000) 0.173 22.755 ( 0.003 0.000 0.000) 0.003 22.776 ( 0.134 0.000 0.000) 0.134 22.798 ( -0.258 0.000 0.000) 0.258 24.126 ( 0.192 0.000 0.000) 0.192 24.180 ( -0.786 0.000 0.000) 0.786 24.480 ( 3.680 0.000 0.000) 3.680 24.680 ( -0.022 0.000 0.000) 0.022 24.717 ( -0.781 0.000 0.000) 0.781 24.730 ( 0.364 0.000 0.000) 0.364 24.753 ( -0.056 0.000 0.000) 0.056 24.785 ( -2.910 0.000 0.000) 2.910 25.353 ( 2.468 0.000 0.000) 2.468 25.551 ( -1.885 0.000 0.000) 1.885 25.829 ( -0.019 0.000 0.000) 0.019 25.841 ( -0.247 0.000 0.000) 0.247 29.709 ( 0.019 0.000 0.000) 0.019 29.709 ( 0.028 0.000 0.000) 0.028 29.718 ( 0.044 0.000 0.000) 0.044 29.725 ( -0.091 0.000 0.000) 0.091 30.282 ( -0.117 0.000 0.000) 0.117 30.283 ( -0.060 0.000 0.000) 0.060 30.352 ( 0.887 0.000 0.000) 0.887 30.422 ( -0.686 0.000 0.000) 0.686 46.430 ( 0.587 0.000 0.000) 0.587 46.467 ( -0.057 0.000 0.000) 0.057 48.093 ( 2.460 0.000 0.000) 2.460 48.589 ( -8.827 0.000 0.000) 8.827 55.821 ( 0.985 0.000 0.000) 0.985 55.840 ( 3.969 0.000 0.000) 3.969 55.931 ( -1.274 0.000 0.000) 1.274 56.020 ( 0.332 0.000 0.000) 0.332 56.271 ( -1.036 0.000 0.000) 1.036 56.287 ( -0.489 0.000 0.000) 0.489 56.366 ( -0.046 0.000 0.000) 0.046 56.366 ( -0.045 0.000 0.000) 0.045 56.948 ( 6.129 0.000 0.000) 6.129 56.952 ( 1.030 0.000 0.000) 1.030 57.043 ( -0.936 0.000 0.000) 0.936 57.466 ( -5.550 0.000 0.000) 5.550 60.003 ( 0.316 0.000 0.000) 0.316 60.030 ( -0.245 0.000 0.000) 0.245 60.062 ( 2.549 0.000 0.000) 2.549 60.204 ( -0.716 0.000 0.000) 0.716 61.828 ( -0.079 0.000 0.000) 0.079 61.829 ( -0.050 0.000 0.000) 0.050 61.852 ( 0.331 0.000 0.000) 0.331 61.875 ( -0.201 0.000 0.000) 0.201 65.177 ( 0.132 0.000 0.000) 0.132 65.187 ( -0.074 0.000 0.000) 0.074 65.201 ( 0.202 0.000 0.000) 0.202 65.219 ( -0.172 0.000 0.000) 0.172 ======================= Grid point 2 (3/36) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 16.194 0.000 0.000) 16.194 0.867 ( 18.347 0.000 0.000) 18.347 1.058 ( -4.452 0.000 0.000) 4.452 1.209 ( -13.317 0.000 0.000) 13.317 1.555 ( 3.380 0.000 0.000) 3.380 1.642 ( -4.893 0.000 0.000) 4.893 1.687 ( 32.310 0.000 0.000) 32.310 2.111 ( 12.214 0.000 0.000) 12.214 2.180 ( -11.503 0.000 0.000) 11.503 2.434 ( -18.630 0.000 0.000) 18.630 2.462 ( 0.252 0.000 0.000) 0.252 2.487 ( -1.665 0.000 0.000) 1.665 2.638 ( 0.956 0.000 0.000) 0.956 2.832 ( -16.103 0.000 0.000) 16.103 3.095 ( 5.570 0.000 0.000) 5.570 3.167 ( 9.158 0.000 0.000) 9.158 3.198 ( -4.067 0.000 0.000) 4.067 3.345 ( -7.249 0.000 0.000) 7.249 3.409 ( 2.879 0.000 0.000) 2.879 3.461 ( -1.597 0.000 0.000) 1.597 3.533 ( 8.622 0.000 0.000) 8.622 3.736 ( -10.123 0.000 0.000) 10.123 3.986 ( 6.425 0.000 0.000) 6.425 4.062 ( 1.756 0.000 0.000) 1.756 4.087 ( 1.518 0.000 0.000) 1.518 4.125 ( -2.101 0.000 0.000) 2.101 4.330 ( 1.803 0.000 0.000) 1.803 4.344 ( 4.787 0.000 0.000) 4.787 4.365 ( -1.423 0.000 0.000) 1.423 4.539 ( -10.906 0.000 0.000) 10.906 4.811 ( 10.672 0.000 0.000) 10.672 4.864 ( 1.259 0.000 0.000) 1.259 4.874 ( 0.495 0.000 0.000) 0.495 5.016 ( -8.342 0.000 0.000) 8.342 5.047 ( 1.702 0.000 0.000) 1.702 5.061 ( 1.157 0.000 0.000) 1.157 5.280 ( 2.695 0.000 0.000) 2.695 5.402 ( -8.099 0.000 0.000) 8.099 5.558 ( 5.431 0.000 0.000) 5.431 5.685 ( -5.888 0.000 0.000) 5.888 5.824 ( -0.210 0.000 0.000) 0.210 5.844 ( -2.119 0.000 0.000) 2.119 6.219 ( 8.404 0.000 0.000) 8.404 6.403 ( -8.622 0.000 0.000) 8.622 7.050 ( 3.958 0.000 0.000) 3.958 7.097 ( 0.599 0.000 0.000) 0.599 7.423 ( 8.997 0.000 0.000) 8.997 7.617 ( -8.281 0.000 0.000) 8.281 10.207 ( 2.882 0.000 0.000) 2.882 10.271 ( -2.966 0.000 0.000) 2.966 10.410 ( 2.615 0.000 0.000) 2.615 10.467 ( -2.528 0.000 0.000) 2.528 11.827 ( 1.005 0.000 0.000) 1.005 11.851 ( -1.145 0.000 0.000) 1.145 11.969 ( 3.361 0.000 0.000) 3.361 12.040 ( -3.161 0.000 0.000) 3.161 14.675 ( 2.231 0.000 0.000) 2.231 14.723 ( -2.161 0.000 0.000) 2.161 14.813 ( 0.300 0.000 0.000) 0.300 14.817 ( -0.051 0.000 0.000) 0.051 18.262 ( 1.083 0.000 0.000) 1.083 18.286 ( -1.207 0.000 0.000) 1.207 18.351 ( 0.113 0.000 0.000) 0.113 18.353 ( -0.010 0.000 0.000) 0.010 18.437 ( 0.363 0.000 0.000) 0.363 18.449 ( -0.782 0.000 0.000) 0.782 18.530 ( 0.150 0.000 0.000) 0.150 18.530 ( 0.059 0.000 0.000) 0.059 19.412 ( 0.009 0.000 0.000) 0.009 19.412 ( -0.003 0.000 0.000) 0.003 19.416 ( 0.085 0.000 0.000) 0.085 19.418 ( -0.089 0.000 0.000) 0.089 21.830 ( 0.154 0.000 0.000) 0.154 21.830 ( 0.132 0.000 0.000) 0.132 22.036 ( 0.193 0.000 0.000) 0.193 22.044 ( -0.494 0.000 0.000) 0.494 22.529 ( 1.006 0.000 0.000) 1.006 22.551 ( -1.107 0.000 0.000) 1.107 22.606 ( 0.154 0.000 0.000) 0.154 22.608 ( -0.010 0.000 0.000) 0.010 22.755 ( 0.077 0.000 0.000) 0.077 22.755 ( 0.005 0.000 0.000) 0.005 22.781 ( 0.390 0.000 0.000) 0.390 22.791 ( -0.440 0.000 0.000) 0.440 24.137 ( 0.826 0.000 0.000) 0.826 24.159 ( -1.132 0.000 0.000) 1.132 24.580 ( 5.380 0.000 0.000) 5.380 24.682 ( -0.314 0.000 0.000) 0.314 24.695 ( -4.133 0.000 0.000) 4.133 24.698 ( -0.844 0.000 0.000) 0.844 24.744 ( 0.251 0.000 0.000) 0.251 24.750 ( -0.221 0.000 0.000) 0.221 25.420 ( 3.607 0.000 0.000) 3.607 25.495 ( -3.261 0.000 0.000) 3.261 25.830 ( 0.133 0.000 0.000) 0.133 25.835 ( -0.294 0.000 0.000) 0.294 29.710 ( 0.019 0.000 0.000) 0.019 29.710 ( 0.008 0.000 0.000) 0.008 29.720 ( 0.108 0.000 0.000) 0.108 29.723 ( -0.136 0.000 0.000) 0.136 30.281 ( -0.019 0.000 0.000) 0.019 30.281 ( -0.065 0.000 0.000) 0.065 30.376 ( 1.251 0.000 0.000) 1.251 30.402 ( -1.153 0.000 0.000) 1.153 46.447 ( 0.842 0.000 0.000) 0.842 46.462 ( -0.481 0.000 0.000) 0.481 48.186 ( 6.543 0.000 0.000) 6.543 48.371 ( -10.419 0.000 0.000) 10.419 55.852 ( 1.848 0.000 0.000) 1.848 55.894 ( -1.918 0.000 0.000) 1.918 55.936 ( 4.246 0.000 0.000) 4.246 56.006 ( -2.014 0.000 0.000) 2.014 56.260 ( 0.198 0.000 0.000) 0.198 56.273 ( -0.768 0.000 0.000) 0.768 56.365 ( -0.028 0.000 0.000) 0.028 56.365 ( -0.028 0.000 0.000) 0.028 56.981 ( 1.613 0.000 0.000) 1.613 57.016 ( -1.555 0.000 0.000) 1.555 57.114 ( 9.022 0.000 0.000) 9.022 57.309 ( -8.780 0.000 0.000) 8.780 60.012 ( 0.485 0.000 0.000) 0.485 60.022 ( -0.434 0.000 0.000) 0.434 60.125 ( 2.957 0.000 0.000) 2.957 60.177 ( -1.858 0.000 0.000) 1.858 61.827 ( -0.013 0.000 0.000) 0.013 61.827 ( -0.051 0.000 0.000) 0.051 61.860 ( 0.420 0.000 0.000) 0.420 61.869 ( -0.357 0.000 0.000) 0.357 65.180 ( 0.192 0.000 0.000) 0.192 65.184 ( -0.157 0.000 0.000) 0.157 65.207 ( 0.309 0.000 0.000) 0.309 65.213 ( -0.290 0.000 0.000) 0.290 ======================= Grid point 6 (4/36) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 13.178 13.178 0.000) 18.637 0.744 ( 17.961 17.961 0.000) 25.400 1.150 ( 25.232 25.232 0.000) 35.683 1.179 ( 15.409 15.409 0.000) 21.792 1.386 ( -4.260 -4.260 0.000) 6.024 1.484 ( 0.296 0.296 0.000) 0.419 1.704 ( -4.268 -4.268 0.000) 6.035 1.939 ( -3.999 -3.999 0.000) 5.656 2.261 ( -5.799 -5.799 0.000) 8.201 2.481 ( -0.144 -0.144 0.000) 0.203 2.527 ( 0.335 0.335 0.000) 0.474 2.558 ( -8.631 -8.631 0.000) 12.206 2.876 ( 0.110 0.110 0.000) 0.155 2.889 ( -0.183 -0.183 0.000) 0.259 3.030 ( 4.899 4.899 0.000) 6.929 3.123 ( -10.644 -10.644 0.000) 15.053 3.201 ( -3.740 -3.740 0.000) 5.289 3.392 ( -2.122 -2.122 0.000) 3.001 3.407 ( 0.476 0.476 0.000) 0.673 3.427 ( 4.646 4.646 0.000) 6.570 3.431 ( -3.828 -3.828 0.000) 5.413 3.878 ( 4.170 4.170 0.000) 5.897 3.953 ( -4.204 -4.204 0.000) 5.946 3.955 ( -3.543 -3.543 0.000) 5.010 4.013 ( 8.361 8.361 0.000) 11.824 4.107 ( -4.380 -4.380 0.000) 6.194 4.322 ( -2.842 -2.842 0.000) 4.019 4.324 ( 3.886 3.886 0.000) 5.496 4.548 ( 4.482 4.482 0.000) 6.339 4.563 ( 4.294 4.294 0.000) 6.073 4.702 ( -5.439 -5.439 0.000) 7.692 4.772 ( -1.258 -1.258 0.000) 1.779 4.840 ( -1.520 -1.520 0.000) 2.150 5.011 ( 2.924 2.924 0.000) 4.135 5.090 ( 3.604 3.604 0.000) 5.097 5.108 ( -4.362 -4.362 0.000) 6.168 5.284 ( 0.429 0.429 0.000) 0.606 5.434 ( -0.662 -0.662 0.000) 0.936 5.651 ( -0.184 -0.184 0.000) 0.260 5.654 ( -3.594 -3.594 0.000) 5.082 5.845 ( -5.167 -5.167 0.000) 7.308 5.865 ( -2.997 -2.997 0.000) 4.238 6.083 ( 4.365 4.365 0.000) 6.174 6.529 ( -4.459 -4.459 0.000) 6.307 7.011 ( 3.902 3.902 0.000) 5.519 7.087 ( 6.743 6.743 0.000) 9.536 7.324 ( 2.823 2.823 0.000) 3.992 7.719 ( -3.510 -3.510 0.000) 4.963 10.175 ( 1.685 1.685 0.000) 2.383 10.328 ( -0.694 -0.694 0.000) 0.982 10.358 ( 0.514 0.514 0.000) 0.726 10.495 ( -1.503 -1.503 0.000) 2.125 11.818 ( 0.607 0.607 0.000) 0.859 11.880 ( 0.017 0.017 0.000) 0.024 11.912 ( 1.214 1.214 0.000) 1.716 12.076 ( -1.742 -1.742 0.000) 2.463 14.644 ( 0.986 0.986 0.000) 1.394 14.744 ( -1.483 -1.483 0.000) 2.097 14.817 ( 0.400 0.400 0.000) 0.566 14.818 ( 0.542 0.542 0.000) 0.767 18.249 ( 0.574 0.574 0.000) 0.812 18.304 ( -0.576 -0.576 0.000) 0.815 18.346 ( -0.061 -0.061 0.000) 0.087 18.353 ( 0.026 0.026 0.000) 0.037 18.429 ( 0.039 0.039 0.000) 0.055 18.469 ( -0.420 -0.420 0.000) 0.594 18.523 ( -0.184 -0.184 0.000) 0.261 18.526 ( 0.144 0.144 0.000) 0.203 19.410 ( -0.038 -0.038 0.000) 0.053 19.413 ( -0.065 -0.065 0.000) 0.092 19.414 ( 0.110 0.110 0.000) 0.156 19.419 ( -0.004 -0.004 0.000) 0.005 21.823 ( 0.008 0.008 0.000) 0.011 21.830 ( 0.147 0.147 0.000) 0.208 22.035 ( 0.034 0.034 0.000) 0.048 22.052 ( -0.213 -0.213 0.000) 0.302 22.517 ( 0.539 0.539 0.000) 0.762 22.568 ( -0.543 -0.543 0.000) 0.768 22.601 ( 0.004 0.004 0.000) 0.006 22.608 ( 0.064 0.064 0.000) 0.090 22.751 ( 0.050 0.050 0.000) 0.071 22.757 ( 0.003 0.003 0.000) 0.005 22.779 ( 0.224 0.224 0.000) 0.316 22.797 ( -0.162 -0.162 0.000) 0.229 24.133 ( 0.661 0.661 0.000) 0.935 24.197 ( 0.328 0.328 0.000) 0.464 24.487 ( 1.852 1.852 0.000) 2.619 24.680 ( 0.068 0.068 0.000) 0.096 24.717 ( -0.380 -0.380 0.000) 0.538 24.725 ( -0.065 -0.065 0.000) 0.092 24.747 ( -0.334 -0.334 0.000) 0.473 24.753 ( -2.921 -2.921 0.000) 4.131 25.379 ( 2.300 2.300 0.000) 3.253 25.546 ( -1.044 -1.044 0.000) 1.476 25.827 ( -0.119 -0.119 0.000) 0.168 25.835 ( -0.367 -0.367 0.000) 0.519 29.709 ( -0.002 -0.002 0.000) 0.003 29.710 ( 0.013 0.013 0.000) 0.019 29.719 ( 0.051 0.051 0.000) 0.072 29.724 ( -0.064 -0.064 0.000) 0.090 30.281 ( -0.044 -0.044 0.000) 0.062 30.284 ( 0.015 0.015 0.000) 0.021 30.359 ( 0.648 0.648 0.000) 0.916 30.416 ( -0.567 -0.567 0.000) 0.801 46.415 ( 1.225 1.225 0.000) 1.733 46.539 ( 1.927 1.927 0.000) 2.725 47.986 ( -3.564 -3.564 0.000) 5.041 48.467 ( -10.410 -10.410 0.000) 14.722 55.853 ( 1.937 1.937 0.000) 2.739 55.877 ( 3.657 3.657 0.000) 5.172 55.949 ( 0.189 0.189 0.000) 0.268 56.031 ( 0.699 0.699 0.000) 0.989 56.272 ( 0.048 0.048 0.000) 0.067 56.272 ( -0.657 -0.657 0.000) 0.930 56.365 ( -0.027 -0.027 0.000) 0.038 56.367 ( 0.003 0.003 0.000) 0.004 56.961 ( 0.806 0.806 0.000) 1.140 57.014 ( 4.963 4.963 0.000) 7.018 57.034 ( -0.780 -0.780 0.000) 1.102 57.417 ( -4.492 -4.492 0.000) 6.353 60.024 ( 1.117 1.117 0.000) 1.579 60.057 ( 1.042 1.042 0.000) 1.474 60.063 ( 1.332 1.332 0.000) 1.884 60.197 ( -0.646 -0.646 0.000) 0.913 61.827 ( -0.031 -0.031 0.000) 0.044 61.829 ( 0.002 0.002 0.000) 0.003 61.854 ( 0.213 0.213 0.000) 0.302 61.873 ( -0.183 -0.183 0.000) 0.259 65.179 ( 0.163 0.163 0.000) 0.230 65.189 ( 0.059 0.059 0.000) 0.084 65.201 ( 0.084 0.084 0.000) 0.119 65.217 ( -0.157 -0.157 0.000) 0.223 ======================= Grid point 7 (5/36) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 14.895 5.128 0.000) 15.753 1.078 ( 14.113 19.882 0.000) 24.382 1.212 ( -11.519 0.027 0.000) 11.519 1.311 ( -5.063 20.143 0.000) 20.770 1.525 ( 3.087 -2.415 0.000) 3.920 1.606 ( -4.446 -3.069 0.000) 5.402 1.772 ( 27.402 8.337 0.000) 28.643 2.011 ( 11.753 -7.778 0.000) 14.093 2.138 ( -6.449 -4.165 0.000) 7.677 2.341 ( -13.907 -6.904 0.000) 15.526 2.492 ( 1.116 2.427 0.000) 2.671 2.519 ( -1.082 2.534 0.000) 2.756 2.676 ( -6.385 3.296 0.000) 7.186 2.801 ( -14.775 -2.321 0.000) 14.956 3.032 ( 5.722 -8.680 0.000) 10.396 3.133 ( -3.752 -8.687 0.000) 9.462 3.165 ( 7.238 -0.033 0.000) 7.238 3.316 ( -6.622 -2.647 0.000) 7.131 3.390 ( 1.319 -0.354 0.000) 1.366 3.413 ( -0.487 -0.453 0.000) 0.665 3.565 ( 7.970 3.009 0.000) 8.519 3.754 ( -9.551 1.650 0.000) 9.692 3.982 ( 1.788 -7.639 0.000) 7.845 4.010 ( 7.112 2.685 0.000) 7.602 4.031 ( -2.888 -6.119 0.000) 6.767 4.127 ( -1.541 5.210 0.000) 5.433 4.318 ( 6.351 -2.219 0.000) 6.728 4.416 ( 4.345 6.653 0.000) 7.946 4.499 ( -3.380 9.047 0.000) 9.658 4.522 ( -10.309 -1.865 0.000) 10.476 4.781 ( 10.189 -2.843 0.000) 10.578 4.784 ( 1.393 -4.471 0.000) 4.683 4.813 ( -1.205 -4.542 0.000) 4.699 4.976 ( -7.939 -3.722 0.000) 8.768 5.074 ( 2.729 1.452 0.000) 3.091 5.117 ( -0.875 2.227 0.000) 2.393 5.310 ( 2.511 2.375 0.000) 3.456 5.394 ( -4.543 0.168 0.000) 4.546 5.592 ( 3.314 2.572 0.000) 4.195 5.704 ( -3.400 1.307 0.000) 3.642 5.733 ( 0.059 -6.449 0.000) 6.450 5.794 ( -3.335 -3.608 0.000) 4.913 6.220 ( 7.840 0.563 0.000) 7.860 6.393 ( -7.849 -1.416 0.000) 7.975 7.099 ( 3.956 3.446 0.000) 5.246 7.155 ( -0.576 3.597 0.000) 3.643 7.446 ( 7.935 2.368 0.000) 8.281 7.609 ( -6.753 -0.799 0.000) 6.800 10.223 ( 2.769 1.506 0.000) 3.152 10.285 ( -2.773 1.133 0.000) 2.996 10.396 ( 2.490 -1.204 0.000) 2.766 10.451 ( -2.486 -1.440 0.000) 2.873 11.837 ( 1.185 0.929 0.000) 1.505 11.864 ( -1.207 1.074 0.000) 1.616 11.961 ( 2.970 -0.595 0.000) 3.029 12.026 ( -2.888 -1.313 0.000) 3.172 14.673 ( 1.634 -0.106 0.000) 1.638 14.709 ( -1.739 -1.032 0.000) 2.023 14.824 ( 0.265 0.764 0.000) 0.808 14.826 ( 0.130 0.719 0.000) 0.730 18.266 ( 0.949 0.377 0.000) 1.021 18.287 ( -0.971 0.006 0.000) 0.971 18.348 ( 0.154 -0.248 0.000) 0.292 18.351 ( -0.155 -0.173 0.000) 0.232 18.437 ( 0.594 0.099 0.000) 0.602 18.453 ( -0.883 0.165 0.000) 0.898 18.523 ( 0.166 -0.501 0.000) 0.527 18.527 ( -0.109 -0.301 0.000) 0.320 19.410 ( 0.031 -0.074 0.000) 0.081 19.412 ( -0.080 -0.078 0.000) 0.112 19.417 ( 0.109 0.095 0.000) 0.144 19.419 ( -0.058 0.062 0.000) 0.085 21.826 ( 0.221 -0.206 0.000) 0.302 21.830 ( -0.134 -0.129 0.000) 0.186 22.038 ( 0.277 0.187 0.000) 0.334 22.046 ( -0.379 0.122 0.000) 0.398 22.532 ( 0.875 0.343 0.000) 0.940 22.552 ( -0.890 -0.005 0.000) 0.890 22.604 ( 0.175 -0.167 0.000) 0.242 22.607 ( -0.121 -0.115 0.000) 0.167 22.753 ( 0.130 -0.060 0.000) 0.143 22.756 ( -0.094 -0.042 0.000) 0.103 22.785 ( 0.319 0.250 0.000) 0.406 22.792 ( -0.304 0.060 0.000) 0.309 24.155 ( 1.315 1.528 0.000) 2.016 24.184 ( -1.257 1.846 0.000) 2.233 24.562 ( 4.719 -1.206 0.000) 4.870 24.667 ( -4.699 -2.329 0.000) 5.245 24.686 ( 0.397 0.090 0.000) 0.407 24.701 ( -0.863 0.198 0.000) 0.885 24.732 ( 0.399 -0.843 0.000) 0.932 24.740 ( -0.336 -0.734 0.000) 0.807 25.440 ( 3.205 1.674 0.000) 3.616 25.505 ( -2.669 0.536 0.000) 2.722 25.826 ( 0.008 -0.332 0.000) 0.332 25.828 ( -0.231 -0.479 0.000) 0.532 29.709 ( 0.023 -0.026 0.000) 0.035 29.710 ( -0.018 -0.019 0.000) 0.027 29.720 ( 0.097 0.045 0.000) 0.107 29.723 ( -0.102 -0.003 0.000) 0.102 30.281 ( 0.069 0.073 0.000) 0.100 30.283 ( -0.082 0.107 0.000) 0.135 30.377 ( 1.008 0.172 0.000) 1.022 30.399 ( -0.972 -0.259 0.000) 1.006 46.468 ( 3.223 2.938 0.000) 4.362 46.531 ( -2.208 4.489 0.000) 5.002 48.016 ( 5.960 -12.211 0.000) 13.588 48.214 ( -11.862 -12.906 0.000) 17.529 55.893 ( 1.901 3.017 0.000) 3.566 55.931 ( -1.504 2.472 0.000) 2.893 55.970 ( 4.045 2.854 0.000) 4.950 56.029 ( -1.335 1.753 0.000) 2.204 56.267 ( 0.046 -0.348 0.000) 0.351 56.270 ( -0.210 0.636 0.000) 0.670 56.365 ( 0.032 0.033 0.000) 0.046 56.366 ( -0.047 0.052 0.000) 0.069 56.984 ( 1.291 0.260 0.000) 1.317 57.012 ( -1.274 -0.343 0.000) 1.320 57.140 ( 6.779 2.097 0.000) 7.096 57.290 ( -6.955 -1.645 0.000) 7.147 60.042 ( 0.641 2.253 0.000) 2.342 60.053 ( -0.405 2.523 0.000) 2.555 60.123 ( 2.882 -0.192 0.000) 2.888 60.173 ( -1.739 -0.437 0.000) 1.793 61.827 ( 0.043 0.042 0.000) 0.060 61.828 ( -0.063 0.065 0.000) 0.091 61.860 ( 0.332 0.014 0.000) 0.333 61.867 ( -0.311 -0.119 0.000) 0.333 65.183 ( 0.228 0.224 0.000) 0.320 65.187 ( -0.166 0.246 0.000) 0.297 65.206 ( 0.294 -0.102 0.000) 0.311 65.212 ( -0.287 -0.135 0.000) 0.317 ======================= Grid point 12 (6/36) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 6.969 6.969 0.000) 9.856 1.182 ( -3.607 -3.607 0.000) 5.101 1.472 ( 15.705 15.705 0.000) 22.210 1.488 ( -0.057 -0.057 0.000) 0.081 1.531 ( -3.463 -3.463 0.000) 4.897 1.718 ( 6.525 6.525 0.000) 9.227 1.795 ( -1.098 -1.098 0.000) 1.553 2.014 ( -8.423 -8.423 0.000) 11.913 2.077 ( 15.651 15.651 0.000) 22.134 2.250 ( -0.746 -0.746 0.000) 1.055 2.547 ( 2.222 2.222 0.000) 3.143 2.563 ( 0.935 0.935 0.000) 1.322 2.713 ( -6.664 -6.664 0.000) 9.424 2.730 ( -6.385 -6.385 0.000) 9.029 2.787 ( -2.415 -2.415 0.000) 3.415 2.893 ( -9.358 -9.358 0.000) 13.234 3.180 ( 1.842 1.842 0.000) 2.605 3.243 ( -3.735 -3.735 0.000) 5.282 3.415 ( 1.617 1.617 0.000) 2.287 3.430 ( 0.390 0.390 0.000) 0.551 3.659 ( 5.728 5.728 0.000) 8.100 3.784 ( -2.657 -2.657 0.000) 3.757 3.839 ( -1.503 -1.503 0.000) 2.126 3.910 ( -5.032 -5.032 0.000) 7.116 4.102 ( 5.467 5.467 0.000) 7.732 4.203 ( -2.108 -2.108 0.000) 2.981 4.306 ( 4.732 4.732 0.000) 6.692 4.441 ( -5.881 -5.881 0.000) 8.317 4.564 ( 6.817 6.817 0.000) 9.641 4.692 ( 1.913 1.913 0.000) 2.705 4.695 ( 1.668 1.668 0.000) 2.359 4.721 ( -1.151 -1.151 0.000) 1.627 4.735 ( -2.318 -2.318 0.000) 3.278 4.862 ( -6.832 -6.832 0.000) 9.662 5.095 ( 0.805 0.805 0.000) 1.138 5.119 ( -1.247 -1.247 0.000) 1.764 5.366 ( 2.749 2.749 0.000) 3.888 5.406 ( -0.267 -0.267 0.000) 0.378 5.617 ( -0.989 -0.989 0.000) 1.399 5.633 ( -2.013 -2.013 0.000) 2.847 5.723 ( 1.511 1.511 0.000) 2.137 5.755 ( -0.714 -0.714 0.000) 1.009 6.256 ( 2.912 2.912 0.000) 4.119 6.334 ( -3.846 -3.846 0.000) 5.440 7.162 ( 2.328 2.328 0.000) 3.292 7.192 ( -0.192 -0.192 0.000) 0.272 7.518 ( 3.719 3.719 0.000) 5.259 7.580 ( -2.047 -2.047 0.000) 2.895 10.265 ( 2.224 2.224 0.000) 3.146 10.301 ( -0.424 -0.424 0.000) 0.600 10.378 ( 0.316 0.316 0.000) 0.447 10.411 ( -2.119 -2.119 0.000) 2.997 11.863 ( 1.321 1.321 0.000) 1.868 11.881 ( 0.010 0.010 0.000) 0.015 11.957 ( 0.665 0.665 0.000) 0.940 11.989 ( -1.937 -1.937 0.000) 2.740 14.675 ( 0.343 0.343 0.000) 0.485 14.688 ( -0.869 -0.869 0.000) 1.229 14.838 ( 0.430 0.430 0.000) 0.608 14.839 ( 0.328 0.328 0.000) 0.464 18.276 ( 0.511 0.511 0.000) 0.723 18.285 ( -0.263 -0.263 0.000) 0.372 18.344 ( -0.038 -0.038 0.000) 0.054 18.347 ( -0.233 -0.233 0.000) 0.330 18.443 ( 0.463 0.463 0.000) 0.654 18.452 ( -0.276 -0.276 0.000) 0.390 18.515 ( -0.117 -0.117 0.000) 0.165 18.519 ( -0.368 -0.368 0.000) 0.521 19.409 ( -0.010 -0.010 0.000) 0.014 19.410 ( -0.060 -0.060 0.000) 0.085 19.419 ( 0.069 0.069 0.000) 0.097 19.420 ( 0.004 0.004 0.000) 0.005 21.823 ( 0.006 0.006 0.000) 0.008 21.826 ( -0.211 -0.211 0.000) 0.298 22.043 ( 0.244 0.244 0.000) 0.346 22.047 ( -0.056 -0.056 0.000) 0.079 22.541 ( 0.460 0.460 0.000) 0.650 22.549 ( -0.247 -0.247 0.000) 0.349 22.601 ( -0.001 -0.001 0.000) 0.001 22.604 ( -0.177 -0.177 0.000) 0.251 22.753 ( 0.035 0.035 0.000) 0.049 22.754 ( -0.074 -0.074 0.000) 0.104 22.790 ( 0.185 0.185 0.000) 0.262 22.792 ( -0.040 -0.040 0.000) 0.056 24.192 ( 1.684 1.684 0.000) 2.381 24.211 ( 0.229 0.229 0.000) 0.324 24.555 ( 1.015 1.015 0.000) 1.435 24.603 ( -3.109 -3.109 0.000) 4.397 24.693 ( 0.469 0.469 0.000) 0.663 24.702 ( -0.237 -0.237 0.000) 0.336 24.719 ( -0.153 -0.153 0.000) 0.216 24.726 ( -0.586 -0.586 0.000) 0.829 25.479 ( 1.721 1.721 0.000) 2.434 25.505 ( -0.622 -0.622 0.000) 0.879 25.819 ( -0.193 -0.193 0.000) 0.273 25.820 ( -0.246 -0.246 0.000) 0.347 29.709 ( -0.001 -0.001 0.000) 0.002 29.709 ( -0.025 -0.025 0.000) 0.036 29.721 ( 0.050 0.050 0.000) 0.071 29.722 ( -0.026 -0.026 0.000) 0.037 30.284 ( 0.106 0.106 0.000) 0.149 30.285 ( 0.012 0.012 0.000) 0.018 30.383 ( 0.349 0.349 0.000) 0.494 30.391 ( -0.422 -0.422 0.000) 0.597 46.552 ( 4.142 4.142 0.000) 5.858 46.597 ( 0.715 0.715 0.000) 1.011 47.833 ( -2.557 -2.557 0.000) 3.616 47.933 ( -10.952 -10.952 0.000) 15.489 55.950 ( 2.069 2.069 0.000) 2.927 55.969 ( 0.561 0.561 0.000) 0.793 56.029 ( 2.272 2.272 0.000) 3.212 56.054 ( 0.119 0.119 0.000) 0.168 56.266 ( 0.405 0.405 0.000) 0.573 56.276 ( -0.260 -0.260 0.000) 0.367 56.366 ( 0.050 0.050 0.000) 0.071 56.367 ( 0.002 0.002 0.000) 0.003 56.992 ( 0.465 0.465 0.000) 0.658 57.002 ( -0.516 -0.516 0.000) 0.730 57.191 ( 2.514 2.514 0.000) 3.555 57.245 ( -2.490 -2.490 0.000) 3.521 60.086 ( 1.587 1.587 0.000) 2.244 60.103 ( 0.788 0.788 0.000) 1.115 60.122 ( 1.009 1.009 0.000) 1.428 60.155 ( -1.274 -1.274 0.000) 1.802 61.829 ( 0.066 0.066 0.000) 0.094 61.829 ( 0.001 0.001 0.000) 0.002 61.861 ( 0.094 0.094 0.000) 0.133 61.864 ( -0.160 -0.160 0.000) 0.227 65.188 ( 0.255 0.255 0.000) 0.360 65.191 ( 0.044 0.044 0.000) 0.062 65.204 ( 0.048 0.048 0.000) 0.067 65.208 ( -0.229 -0.229 0.000) 0.324 ======================= Grid point 25 (7/36) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( -0.000 -0.000 20.696) 20.696 0.383 ( -0.000 -0.000 20.696) 20.696 0.784 ( 0.000 0.000 39.196) 39.196 0.857 ( 0.000 0.000 11.618) 11.618 1.639 ( -0.000 0.000 15.395) 15.395 1.639 ( 0.000 0.000 15.395) 15.395 1.868 ( 0.000 0.000 4.432) 4.432 2.098 ( 0.000 -0.000 4.285) 4.285 2.384 ( 0.000 -0.000 -4.065) 4.065 2.542 ( 0.000 -0.000 1.310) 1.310 2.542 ( 0.000 0.000 1.310) 1.310 2.772 ( 0.000 -0.000 -0.653) 0.653 2.772 ( 0.000 0.000 -0.653) 0.653 2.879 ( 0.000 0.000 3.186) 3.186 3.225 ( -0.000 0.000 -3.802) 3.802 3.260 ( 0.000 0.000 -3.590) 3.590 3.314 ( 0.000 -0.000 -1.771) 1.771 3.314 ( -0.000 -0.000 -1.771) 1.771 3.369 ( -0.000 0.000 -5.679) 5.679 3.534 ( -0.000 0.000 0.326) 0.326 3.597 ( 0.000 0.000 0.494) 0.494 3.597 ( -0.000 0.000 0.494) 0.494 3.746 ( 0.000 0.000 7.989) 7.989 4.035 ( -0.000 -0.000 -2.001) 2.001 4.035 ( 0.000 0.000 -2.001) 2.001 4.217 ( -0.000 0.000 -4.871) 4.871 4.331 ( -0.000 0.000 -5.779) 5.779 4.331 ( 0.000 0.000 -5.779) 5.779 4.464 ( 0.000 0.000 6.639) 6.639 4.849 ( 0.000 0.000 2.119) 2.119 4.868 ( 0.000 0.000 -3.760) 3.760 4.868 ( 0.000 0.000 -3.760) 3.760 4.869 ( -0.000 -0.000 0.631) 0.631 4.886 ( 0.000 0.000 1.958) 1.958 5.184 ( 0.000 0.000 -2.236) 2.236 5.206 ( 0.000 0.000 -9.110) 9.110 5.436 ( -0.000 -0.000 -1.263) 1.263 5.436 ( 0.000 0.000 -1.263) 1.263 5.562 ( 0.000 0.000 -11.844) 11.844 5.599 ( 0.000 0.000 -6.968) 6.968 5.903 ( 0.000 -0.000 -3.763) 3.763 5.954 ( 0.000 0.000 2.463) 2.463 5.954 ( 0.000 0.000 2.463) 2.463 6.122 ( -0.000 0.000 7.300) 7.300 6.697 ( -0.000 0.000 0.251) 0.251 6.863 ( 0.000 0.000 -4.837) 4.837 6.863 ( 0.000 0.000 -4.837) 4.837 7.757 ( -0.000 0.000 -4.714) 4.714 10.214 ( 0.000 0.000 7.647) 7.647 10.418 ( 0.000 0.000 7.249) 7.249 10.418 ( 0.000 0.000 7.249) 7.249 10.584 ( 0.000 0.000 5.613) 5.613 11.878 ( -0.000 0.000 6.912) 6.912 11.928 ( 0.000 0.000 4.737) 4.737 11.928 ( 0.000 0.000 4.737) 4.737 12.400 ( 0.000 0.000 2.273) 2.273 14.595 ( -0.000 -0.000 -2.215) 2.215 14.774 ( 0.000 0.000 -1.608) 1.608 14.781 ( 0.000 0.000 -2.014) 2.014 14.781 ( 0.000 0.000 -2.014) 2.014 18.224 ( 0.000 0.000 -1.147) 1.147 18.340 ( 0.000 0.000 1.789) 1.789 18.345 ( -0.000 -0.000 -0.312) 0.312 18.345 ( 0.000 0.000 -0.312) 0.312 18.423 ( 0.000 0.000 -0.921) 0.921 18.487 ( 0.000 0.000 0.708) 0.708 18.487 ( 0.000 -0.000 0.708) 0.708 18.523 ( -0.000 0.000 0.566) 0.566 19.416 ( 0.000 0.000 0.455) 0.455 19.416 ( 0.000 0.000 0.455) 0.455 19.425 ( 0.000 0.000 0.525) 0.525 19.510 ( -0.000 0.000 0.177) 0.177 21.924 ( 0.000 0.000 10.055) 10.055 21.924 ( 0.000 0.000 10.055) 10.055 22.128 ( 0.000 0.000 9.135) 9.135 22.504 ( -0.000 0.000 -0.007) 0.007 22.592 ( 0.000 0.000 0.611) 0.611 22.598 ( 0.000 0.000 -0.275) 0.275 22.598 ( -0.000 0.000 -0.275) 0.275 22.722 ( -0.000 0.000 4.005) 4.005 22.750 ( 0.000 0.000 0.051) 0.051 22.750 ( 0.000 0.000 0.051) 0.051 22.770 ( 0.000 0.000 -0.407) 0.407 22.799 ( 0.000 0.000 -0.104) 0.104 24.104 ( 0.000 0.000 -2.144) 2.144 24.149 ( 0.000 0.000 -4.069) 4.069 24.149 ( 0.000 0.000 -4.069) 4.069 24.682 ( -0.000 0.000 0.061) 0.061 24.722 ( 0.000 0.000 -0.323) 0.323 24.722 ( 0.000 0.000 -0.323) 0.323 24.745 ( 0.000 0.000 -7.169) 7.169 24.751 ( 0.000 0.000 -0.263) 0.263 25.327 ( 0.000 0.000 0.225) 0.225 25.553 ( -0.000 -0.000 -1.821) 1.821 25.553 ( 0.000 0.000 -1.821) 1.821 25.795 ( 0.000 0.000 -3.394) 3.394 29.726 ( -0.000 -0.000 1.746) 1.746 29.726 ( -0.000 -0.000 1.746) 1.746 29.744 ( 0.000 0.000 1.573) 1.573 29.747 ( 0.000 0.000 2.051) 2.051 30.270 ( 0.000 0.000 -1.373) 1.373 30.270 ( -0.000 0.000 -1.373) 1.373 30.330 ( 0.000 0.000 -1.142) 1.142 30.416 ( 0.000 0.000 -1.320) 1.320 46.454 ( -0.000 -0.000 -1.270) 1.270 46.454 ( 0.000 0.000 -1.270) 1.270 46.477 ( 0.000 -0.000 5.378) 5.378 48.613 ( -0.000 -0.000 -7.894) 7.894 55.780 ( -0.000 0.000 -1.228) 1.228 55.780 ( 0.000 0.000 -1.228) 1.228 55.939 ( 0.000 0.000 -0.614) 0.614 56.005 ( 0.000 0.000 -0.715) 0.715 56.257 ( 0.000 0.000 -3.455) 3.455 56.257 ( 0.000 0.000 -3.455) 3.455 56.283 ( 0.000 0.000 -0.253) 0.253 56.440 ( 0.000 0.000 7.106) 7.106 56.440 ( -0.000 0.000 7.106) 7.106 57.067 ( 0.000 0.000 0.278) 0.278 57.511 ( -0.000 -0.000 -0.534) 0.534 57.772 ( 0.000 0.000 1.373) 1.373 59.972 ( 0.000 0.000 -2.660) 2.660 59.984 ( -0.000 -0.000 -4.524) 4.524 59.984 ( -0.000 -0.000 -4.524) 4.524 60.160 ( -0.000 0.000 -4.854) 4.854 61.971 ( -0.000 -0.000 13.908) 13.908 61.971 ( 0.000 0.000 13.908) 13.908 61.974 ( 0.000 0.000 12.529) 12.529 62.388 ( -0.000 0.000 10.090) 10.090 65.159 ( 0.000 0.000 -2.913) 2.913 65.159 ( 0.000 0.000 -2.913) 2.913 65.162 ( 0.000 0.000 -1.477) 1.477 65.180 ( -0.000 -0.000 -4.145) 4.145 ======================= Grid point 26 (8/36) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( 14.539 0.000 13.933) 20.138 0.759 ( 17.828 0.000 18.473) 25.673 0.997 ( 15.964 0.000 16.526) 22.978 1.108 ( 24.244 0.000 13.906) 27.949 1.576 ( -6.098 0.000 14.836) 16.040 1.660 ( 1.572 0.000 14.872) 14.955 1.815 ( -4.097 0.000 5.656) 6.984 2.041 ( -2.597 0.000 3.735) 4.549 2.320 ( -4.930 0.000 -1.970) 5.309 2.533 ( -1.046 0.000 1.254) 1.633 2.537 ( -1.935 0.000 2.755) 3.366 2.723 ( -4.758 0.000 1.291) 4.930 2.739 ( -5.601 0.000 0.087) 5.602 2.898 ( 3.964 0.000 -0.725) 4.030 3.143 ( -10.443 0.000 -3.691) 11.076 3.161 ( -0.517 0.000 6.710) 6.730 3.238 ( -4.277 0.000 -2.046) 4.741 3.278 ( 0.096 0.000 -4.609) 4.610 3.422 ( 0.286 0.000 -5.285) 5.293 3.469 ( -1.155 0.000 2.922) 3.142 3.492 ( -3.868 0.000 1.285) 4.076 3.727 ( 5.060 0.000 -4.085) 6.503 3.950 ( 11.249 0.000 4.381) 12.072 3.990 ( -2.538 0.000 -1.563) 2.981 4.043 ( 0.848 0.000 -1.816) 2.005 4.167 ( -2.642 0.000 -1.776) 3.184 4.327 ( -0.335 0.000 -4.843) 4.854 4.389 ( -4.128 0.000 -0.721) 4.191 4.430 ( -2.738 0.000 6.543) 7.093 4.532 ( -1.614 0.000 -0.362) 1.654 4.834 ( -1.047 0.000 -4.201) 4.329 4.841 ( -9.443 0.000 4.781) 10.584 4.867 ( -0.443 0.000 2.926) 2.959 4.943 ( 1.896 0.000 -1.264) 2.279 5.007 ( 3.827 0.000 2.743) 4.709 5.178 ( -0.208 0.000 0.000) 0.208 5.201 ( -0.348 0.000 -6.785) 6.794 5.463 ( 2.857 0.000 -1.134) 3.074 5.533 ( -6.214 0.000 -5.572) 8.346 5.813 ( -4.157 0.000 -4.275) 5.963 5.828 ( -3.159 0.000 4.858) 5.794 5.871 ( -5.451 0.000 -5.816) 7.971 6.070 ( 6.968 0.000 1.871) 7.215 6.519 ( 0.358 0.000 -7.017) 7.027 6.801 ( 14.313 0.000 -14.835) 20.614 6.903 ( 3.293 0.000 -5.497) 6.408 7.048 ( 13.485 0.000 -9.336) 16.401 7.706 ( -4.757 0.000 -4.926) 6.848 10.233 ( 1.708 0.000 7.603) 7.793 10.399 ( -1.823 0.000 7.311) 7.535 10.435 ( 1.536 0.000 7.119) 7.283 10.570 ( -1.341 0.000 5.792) 5.945 11.880 ( 0.325 0.000 6.788) 6.796 11.925 ( -0.396 0.000 5.030) 5.046 11.956 ( 2.448 0.000 4.864) 5.445 12.245 ( -7.877 0.000 9.212) 12.120 14.611 ( 1.471 0.000 -2.260) 2.696 14.745 ( -1.810 0.000 -1.950) 2.661 14.786 ( 0.351 0.000 -2.069) 2.099 14.796 ( 0.490 0.000 -1.791) 1.857 18.232 ( 0.794 0.000 -0.999) 1.276 18.319 ( -1.321 0.000 0.602) 1.452 18.348 ( 0.196 0.000 -0.209) 0.287 18.357 ( 0.340 0.000 0.680) 0.760 18.424 ( 0.208 0.000 -0.785) 0.812 18.474 ( -1.006 0.000 0.631) 1.188 18.511 ( 1.156 0.000 -0.548) 1.279 18.528 ( 0.316 0.000 0.476) 0.572 19.417 ( 0.082 0.000 0.475) 0.482 19.417 ( 0.082 0.000 0.507) 0.514 19.424 ( -0.068 0.000 0.509) 0.514 19.458 ( -2.321 0.000 2.449) 3.374 21.929 ( 0.398 0.000 10.210) 10.218 21.933 ( 0.568 0.000 10.175) 10.191 22.128 ( 0.113 0.000 9.247) 9.248 22.343 ( -13.766 0.000 19.631) 23.977 22.511 ( 0.630 0.000 0.029) 0.631 22.576 ( -0.988 0.000 0.239) 1.017 22.604 ( 0.130 0.000 0.204) 0.242 22.607 ( 0.344 0.000 0.133) 0.369 22.750 ( 0.012 0.000 -0.162) 0.163 22.754 ( -0.075 0.000 -0.153) 0.171 22.773 ( 0.251 0.000 -0.240) 0.347 22.795 ( -0.200 0.000 -0.283) 0.347 24.101 ( -0.007 0.000 -2.535) 2.535 24.141 ( -0.655 0.000 -3.924) 3.979 24.351 ( 8.446 0.000 -10.185) 13.232 24.681 ( -0.042 0.000 0.044) 0.061 24.712 ( -2.868 0.000 -6.613) 7.208 24.714 ( -0.699 0.000 -0.270) 0.750 24.728 ( 0.325 0.000 -0.858) 0.918 24.749 ( -0.117 0.000 -0.324) 0.344 25.353 ( 2.257 0.000 -0.014) 2.257 25.535 ( -1.730 0.000 -1.652) 2.392 25.704 ( 6.069 0.000 -8.669) 10.582 25.794 ( -0.164 0.000 -3.517) 3.521 29.726 ( 0.007 0.000 1.733) 1.733 29.727 ( 0.010 0.000 1.716) 1.716 29.741 ( -0.075 0.000 2.019) 2.021 29.746 ( -0.079 0.000 2.064) 2.066 30.269 ( -0.107 0.000 -1.366) 1.370 30.269 ( -0.064 0.000 -1.377) 1.379 30.339 ( 0.842 0.000 -1.237) 1.496 30.409 ( -0.687 0.000 -1.318) 1.487 46.460 ( 0.471 0.000 -0.690) 0.835 46.475 ( 0.030 0.000 4.566) 4.566 47.355 ( 40.932 0.000 -41.133) 58.028 48.502 ( -9.757 0.000 -8.652) 13.040 55.798 ( 1.368 0.000 -1.861) 2.310 55.824 ( 3.813 0.000 -1.462) 4.084 55.923 ( -1.430 0.000 -0.732) 1.606 56.004 ( 0.064 0.000 -1.142) 1.144 56.214 ( -0.979 0.000 -3.989) 4.107 56.249 ( -0.678 0.000 -3.577) 3.640 56.437 ( 0.578 0.000 6.385) 6.411 56.441 ( 0.063 0.000 7.196) 7.196 56.538 ( 14.331 0.000 -8.725) 16.778 57.051 ( -1.649 0.000 -0.532) 1.733 57.460 ( -4.388 0.000 0.711) 4.445 57.505 ( -13.975 0.000 16.698) 21.775 59.973 ( 0.172 0.000 -2.808) 2.813 59.984 ( -0.021 0.000 -4.259) 4.259 60.010 ( 2.277 0.000 -4.793) 5.306 60.144 ( -1.089 0.000 -5.146) 5.260 61.973 ( 0.150 0.000 13.630) 13.631 61.973 ( 0.101 0.000 13.392) 13.392 61.981 ( 0.707 0.000 13.520) 13.538 62.179 ( -9.447 0.000 21.326) 23.325 65.158 ( -0.107 0.000 -1.860) 1.863 65.159 ( -0.060 0.000 -2.942) 2.943 65.167 ( 0.334 0.000 -3.317) 3.334 65.180 ( -0.039 0.000 -3.957) 3.957 ======================= Grid point 27 (9/36) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 14.520 0.000 9.021) 17.095 1.072 ( 10.063 0.000 16.601) 19.413 1.146 ( 0.063 0.000 9.485) 9.485 1.380 ( -11.944 0.000 15.152) 19.294 1.661 ( 8.465 0.000 9.158) 12.471 1.733 ( -3.228 0.000 8.611) 9.196 1.773 ( 22.423 0.000 9.764) 24.457 2.136 ( 12.066 0.000 2.681) 12.360 2.185 ( -9.938 0.000 0.803) 9.970 2.451 ( -14.233 0.000 1.699) 14.334 2.499 ( -0.594 0.000 2.942) 3.002 2.524 ( -4.712 0.000 3.286) 5.745 2.650 ( 0.505 0.000 1.392) 1.481 2.827 ( -15.087 0.000 -0.289) 15.090 3.029 ( 6.803 0.000 -3.654) 7.722 3.153 ( -4.701 0.000 -3.350) 5.773 3.241 ( 5.821 0.000 3.685) 6.889 3.314 ( 2.461 0.000 -6.550) 6.997 3.384 ( -4.990 0.000 1.168) 5.124 3.397 ( -2.481 0.000 -6.067) 6.555 3.548 ( 6.076 0.000 1.289) 6.211 3.689 ( -6.425 0.000 -2.154) 6.776 4.029 ( 3.776 0.000 0.643) 3.830 4.051 ( 0.548 0.000 -2.363) 2.426 4.132 ( 0.372 0.000 0.480) 0.608 4.147 ( 3.671 0.000 5.000) 6.203 4.315 ( -0.792 0.000 -0.285) 0.841 4.317 ( -0.549 0.000 -2.467) 2.527 4.404 ( 3.314 0.000 4.062) 5.242 4.577 ( -7.997 0.000 0.726) 8.030 4.697 ( 4.004 0.000 -6.903) 7.980 4.800 ( -3.140 0.000 -9.609) 10.109 4.898 ( 1.825 0.000 2.140) 2.813 4.936 ( -1.744 0.000 0.258) 1.763 5.084 ( 3.550 0.000 2.581) 4.390 5.157 ( -2.902 0.000 3.318) 4.408 5.231 ( 4.484 0.000 -4.484) 6.342 5.368 ( -7.956 0.000 -3.799) 8.817 5.565 ( 6.567 0.000 0.671) 6.601 5.716 ( -6.857 0.000 3.258) 7.592 5.761 ( -0.663 0.000 -6.332) 6.367 5.781 ( -2.566 0.000 -6.390) 6.886 6.231 ( 8.103 0.000 1.771) 8.294 6.403 ( -7.724 0.000 0.350) 7.732 6.973 ( 2.528 0.000 -7.519) 7.932 6.978 ( 2.866 0.000 -11.417) 11.771 7.329 ( 12.315 0.000 -7.593) 14.468 7.558 ( -9.056 0.000 -5.690) 10.695 10.283 ( 2.849 0.000 7.506) 8.028 10.346 ( -2.954 0.000 7.417) 7.983 10.479 ( 2.401 0.000 6.756) 7.170 10.530 ( -2.280 0.000 6.253) 6.656 11.893 ( 0.795 0.000 6.438) 6.487 11.911 ( -0.827 0.000 5.782) 5.840 12.024 ( 3.868 0.000 5.362) 6.612 12.117 ( -4.873 0.000 6.868) 8.421 14.652 ( 2.265 0.000 -2.279) 3.213 14.701 ( -2.259 0.000 -2.164) 3.128 14.794 ( 0.366 0.000 -1.947) 1.981 14.799 ( -0.095 0.000 -1.839) 1.841 18.256 ( 1.371 0.000 -0.583) 1.490 18.288 ( -1.565 0.000 0.001) 1.565 18.353 ( 0.294 0.000 0.088) 0.307 18.358 ( -0.148 0.000 0.499) 0.520 18.433 ( 0.655 0.000 -0.258) 0.704 18.452 ( -1.016 0.000 0.318) 1.065 18.527 ( 0.428 0.000 -0.133) 0.448 18.532 ( -0.024 0.000 0.246) 0.247 19.419 ( 0.121 0.000 0.485) 0.500 19.420 ( 0.202 0.000 0.785) 0.811 19.422 ( -0.076 0.000 0.472) 0.478 19.430 ( -0.702 0.000 1.387) 1.555 21.938 ( 0.367 0.000 10.560) 10.567 21.941 ( 0.133 0.000 10.621) 10.622 22.138 ( 0.981 0.000 9.996) 10.044 22.182 ( -3.714 0.000 12.972) 13.493 22.529 ( 1.048 0.000 0.089) 1.052 22.553 ( -1.154 0.000 0.160) 1.166 22.608 ( 0.196 0.000 0.208) 0.286 22.611 ( 0.016 0.000 0.234) 0.234 22.751 ( 0.025 0.000 -0.412) 0.412 22.752 ( -0.085 0.000 -0.359) 0.368 22.781 ( 0.414 0.000 -0.069) 0.420 22.789 ( -0.365 0.000 -0.133) 0.389 24.107 ( 0.574 0.000 -3.023) 3.077 24.124 ( -0.909 0.000 -3.537) 3.652 24.500 ( 6.284 0.000 -7.741) 9.971 24.623 ( -5.187 0.000 -7.048) 8.751 24.684 ( 0.369 0.000 -0.025) 0.370 24.697 ( -0.778 0.000 -0.117) 0.787 24.738 ( 0.439 0.000 -0.466) 0.640 24.745 ( -0.262 0.000 -0.421) 0.495 25.414 ( 3.308 0.000 -0.577) 3.358 25.483 ( -2.994 0.000 -1.194) 3.223 25.772 ( 1.388 0.000 -5.654) 5.822 25.788 ( -0.384 0.000 -4.069) 4.087 29.727 ( 0.000 0.000 1.693) 1.693 29.727 ( 0.006 0.000 1.704) 1.704 29.742 ( 0.082 0.000 2.107) 2.109 29.744 ( -0.115 0.000 2.093) 2.097 30.267 ( -0.027 0.000 -1.372) 1.372 30.268 ( -0.066 0.000 -1.381) 1.383 30.362 ( 1.255 0.000 -1.308) 1.813 30.389 ( -1.157 0.000 -1.317) 1.753 46.470 ( 0.420 0.000 0.888) 0.983 46.475 ( -0.083 0.000 2.921) 2.922 47.917 ( 17.703 0.000 -23.033) 29.051 48.241 ( -13.921 0.000 -12.351) 18.610 55.835 ( 2.082 0.000 -1.672) 2.670 55.881 ( -2.119 0.000 -1.463) 2.575 55.918 ( 4.182 0.000 -1.334) 4.389 55.988 ( -2.038 0.000 -1.480) 2.518 56.209 ( 0.536 0.000 -4.218) 4.252 56.230 ( -1.116 0.000 -3.911) 4.067 56.441 ( 0.088 0.000 7.234) 7.234 56.442 ( 0.022 0.000 7.316) 7.316 56.813 ( 10.839 0.000 -9.322) 14.297 56.984 ( -5.218 0.000 -4.250) 6.729 57.335 ( -2.682 0.000 13.463) 13.728 57.358 ( -4.082 0.000 5.764) 7.063 59.978 ( 0.229 0.000 -3.196) 3.205 59.982 ( -0.146 0.000 -3.731) 3.734 60.066 ( 2.669 0.000 -5.321) 5.953 60.114 ( -1.788 0.000 -5.558) 5.839 61.975 ( 0.064 0.000 13.175) 13.175 61.975 ( 0.046 0.000 13.290) 13.290 62.005 ( 1.630 0.000 15.237) 15.324 62.055 ( -3.424 0.000 18.031) 18.353 65.157 ( -0.006 0.000 -2.494) 2.494 65.157 ( -0.065 0.000 -2.868) 2.868 65.174 ( 0.263 0.000 -3.370) 3.380 65.178 ( -0.136 0.000 -3.594) 3.597 ======================= Grid point 31 (10/36) ======================= q-point: ( 0.20 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 15.770 15.770 9.237) 24.139 0.878 ( 10.478 10.478 19.280) 24.316 1.244 ( 13.738 13.738 6.602) 20.520 1.260 ( 19.205 19.205 13.589) 30.370 1.568 ( -3.296 -3.296 15.636) 16.317 1.628 ( -0.264 -0.264 13.129) 13.134 1.779 ( -2.773 -2.773 7.364) 8.343 1.979 ( -3.842 -3.842 4.215) 6.876 2.254 ( -4.921 -4.921 -0.670) 6.992 2.518 ( -2.945 -2.945 -0.076) 4.165 2.520 ( -0.884 -0.884 2.711) 2.986 2.587 ( -5.628 -5.628 2.111) 8.234 2.850 ( 1.248 1.248 -0.499) 1.834 2.878 ( -0.348 -0.348 -1.063) 1.172 3.110 ( -9.553 -9.553 -1.008) 13.548 3.123 ( -3.186 -3.186 -2.518) 5.162 3.143 ( 0.296 0.296 2.884) 2.914 3.352 ( 2.811 2.811 -2.927) 4.937 3.358 ( -1.143 -1.143 -2.435) 2.923 3.468 ( -3.033 -3.033 0.658) 4.339 3.484 ( 1.436 1.436 3.343) 3.912 3.780 ( 3.744 3.744 -4.268) 6.800 3.919 ( -4.222 -4.222 -3.324) 6.834 4.032 ( -1.194 -1.194 1.486) 2.249 4.056 ( 7.287 7.287 3.261) 10.809 4.104 ( -3.347 -3.347 -0.293) 4.743 4.309 ( -2.394 -2.394 2.478) 4.196 4.428 ( -0.186 -0.186 4.743) 4.750 4.468 ( 3.904 3.904 -8.573) 10.197 4.487 ( 0.934 0.934 -3.478) 3.720 4.759 ( -1.726 -1.726 -1.875) 3.078 4.793 ( -5.304 -5.304 5.041) 9.038 4.841 ( -2.304 -2.304 -0.379) 3.280 4.945 ( -2.848 -2.848 -6.191) 7.386 5.011 ( 3.130 3.130 0.273) 4.435 5.216 ( 1.459 1.459 -6.802) 7.109 5.236 ( 2.013 2.013 6.169) 6.794 5.415 ( -1.194 -1.194 -2.235) 2.801 5.603 ( 0.697 0.697 -4.691) 4.794 5.654 ( -4.462 -4.462 -1.115) 6.409 5.807 ( -4.476 -4.476 -4.061) 7.521 5.894 ( -2.453 -2.453 3.418) 4.870 6.080 ( 4.012 4.012 0.583) 5.704 6.508 ( -3.402 -3.402 -2.370) 5.363 6.941 ( 8.360 8.360 -15.669) 19.629 6.951 ( 3.498 3.498 -5.845) 7.657 7.150 ( 8.809 8.809 -9.219) 15.498 7.665 ( -3.798 -3.798 -5.213) 7.485 10.251 ( 1.633 1.633 7.541) 7.887 10.400 ( -0.749 -0.749 7.120) 7.199 10.432 ( 0.472 0.472 7.243) 7.274 10.555 ( -1.361 -1.361 5.944) 6.248 11.885 ( 0.494 0.494 6.667) 6.704 11.930 ( 0.083 0.083 4.888) 4.889 11.968 ( 1.473 1.473 5.342) 5.734 12.186 ( -4.206 -4.206 8.507) 10.380 14.621 ( 1.021 1.021 -2.202) 2.633 14.725 ( -1.498 -1.498 -1.928) 2.865 14.796 ( 0.528 0.528 -2.216) 2.338 14.800 ( 0.342 0.342 -1.808) 1.872 18.240 ( 0.711 0.711 -0.868) 1.328 18.311 ( -0.776 -0.776 0.437) 1.182 18.347 ( -0.025 -0.025 -0.094) 0.100 18.358 ( 0.039 0.039 0.615) 0.617 18.424 ( 0.193 0.193 -0.495) 0.566 18.474 ( -0.473 -0.473 0.536) 0.857 18.512 ( 0.262 0.262 -0.525) 0.643 18.530 ( 0.063 0.063 0.396) 0.406 19.416 ( -0.009 -0.009 0.522) 0.522 19.420 ( 0.139 0.139 0.512) 0.548 19.423 ( -0.091 -0.091 0.523) 0.539 19.443 ( -0.961 -0.961 2.045) 2.456 21.926 ( 0.080 0.080 10.206) 10.207 21.941 ( 0.304 0.304 10.477) 10.486 22.129 ( 0.173 0.173 9.347) 9.350 22.253 ( -5.368 -5.368 16.726) 18.368 22.517 ( 0.561 0.561 0.036) 0.794 22.570 ( -0.581 -0.581 0.217) 0.850 22.603 ( 0.043 0.043 0.224) 0.232 22.609 ( 0.113 0.113 0.141) 0.213 22.751 ( 0.015 0.015 -0.018) 0.028 22.752 ( -0.067 -0.067 -0.441) 0.451 22.777 ( 0.244 0.244 -0.216) 0.407 22.794 ( -0.138 -0.138 -0.257) 0.323 24.106 ( 0.464 0.464 -2.772) 2.848 24.156 ( 0.327 0.327 -4.068) 4.095 24.391 ( 3.598 3.598 -8.584) 9.979 24.681 ( 0.055 0.055 0.047) 0.090 24.681 ( -2.842 -2.842 -6.978) 8.053 24.715 ( -0.355 -0.355 -0.342) 0.608 24.722 ( -0.040 -0.040 -0.276) 0.282 24.745 ( -0.327 -0.327 -0.251) 0.527 25.376 ( 2.111 2.111 -0.230) 2.995 25.530 ( -0.938 -0.938 -1.563) 2.050 25.739 ( 2.173 2.173 -7.553) 8.154 25.791 ( -0.224 -0.224 -3.603) 3.617 29.726 ( -0.004 -0.004 1.741) 1.741 29.727 ( -0.000 -0.000 1.694) 1.694 29.741 ( 0.004 0.004 2.070) 2.070 29.745 ( -0.060 -0.060 2.072) 2.073 30.267 ( -0.050 -0.050 -1.368) 1.369 30.270 ( 0.011 0.011 -1.381) 1.381 30.346 ( 0.638 0.638 -1.280) 1.566 30.403 ( -0.569 -0.569 -1.329) 1.554 46.439 ( 1.084 1.084 1.964) 2.491 46.551 ( 1.837 1.837 1.655) 3.080 47.543 ( 13.258 13.258 -32.144) 37.213 48.379 ( -10.670 -10.670 -8.716) 17.426 55.816 ( 1.519 1.519 -3.398) 4.020 55.872 ( 4.002 4.002 -0.371) 5.672 55.921 ( -0.497 -0.497 -2.594) 2.687 56.023 ( 1.023 1.023 -0.396) 1.500 56.216 ( 0.124 0.124 -4.382) 4.385 56.238 ( -0.661 -0.661 -3.387) 3.514 56.439 ( 0.122 0.122 7.002) 7.004 56.440 ( 0.008 0.008 7.135) 7.135 56.649 ( 8.440 8.440 -10.731) 16.051 57.031 ( -2.006 -2.006 -1.552) 3.233 57.398 ( -4.942 -4.942 11.119) 13.133 57.441 ( -3.795 -3.795 7.810) 9.477 59.985 ( 0.816 0.816 -3.484) 3.671 60.007 ( 1.012 1.012 -5.141) 5.337 60.013 ( 1.191 1.191 -4.069) 4.404 60.135 ( -0.769 -0.769 -5.350) 5.459 61.975 ( 0.122 0.122 13.268) 13.269 61.978 ( 0.293 0.293 14.458) 14.464 61.983 ( 0.354 0.354 13.053) 13.063 62.113 ( -4.234 -4.234 20.325) 21.189 65.158 ( 0.005 0.005 -2.125) 2.125 65.162 ( 0.093 0.093 -2.829) 2.832 65.167 ( 0.105 0.105 -3.509) 3.512 65.179 ( -0.057 -0.057 -3.801) 3.801 ======================= Grid point 32 (11/36) ======================= q-point: ( 0.40 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 12.093 9.962 12.525) 20.059 1.150 ( 12.015 12.569 11.293) 20.733 1.352 ( -5.131 13.142 7.540) 15.996 1.397 ( -8.567 4.945 13.150) 16.455 1.641 ( 3.359 -1.838 10.187) 10.883 1.696 ( -1.298 -2.588 8.577) 9.053 1.845 ( 20.615 6.585 7.799) 23.003 2.045 ( 11.325 -7.115 3.568) 13.843 2.148 ( -5.612 -3.668 1.182) 6.808 2.348 ( -12.117 -7.660 1.017) 14.371 2.519 ( 0.919 1.917 2.321) 3.147 2.544 ( -0.763 1.439 2.189) 2.728 2.689 ( -6.901 3.264 1.503) 7.781 2.796 ( -14.124 -2.065 -0.456) 14.281 2.981 ( 4.777 -6.346 -3.295) 8.599 3.070 ( -3.302 -8.605 -4.644) 10.321 3.232 ( 6.032 -1.231 3.908) 7.291 3.351 ( -1.679 -1.049 0.725) 2.109 3.372 ( -1.646 2.885 -0.634) 3.381 3.397 ( -1.238 1.467 -2.262) 2.967 3.563 ( 6.046 1.746 0.480) 6.312 3.714 ( -7.450 2.342 -2.435) 8.180 3.946 ( 3.502 -7.050 -2.524) 8.267 4.009 ( -2.720 -4.416 -1.540) 5.410 4.076 ( 4.395 -1.450 3.343) 5.709 4.175 ( -1.511 3.041 3.724) 5.039 4.316 ( 5.804 -0.352 -0.030) 5.815 4.421 ( -2.125 5.442 -2.779) 6.469 4.448 ( 1.767 4.830 0.162) 5.145 4.565 ( -5.704 -0.908 -0.537) 5.801 4.689 ( 3.127 -0.550 -5.269) 6.152 4.755 ( -0.580 -3.335 -4.719) 5.807 4.821 ( 0.033 -5.891 -0.685) 5.930 4.862 ( -4.103 -4.395 -5.768) 8.332 5.095 ( 4.506 0.185 1.576) 4.778 5.198 ( -4.592 0.577 4.837) 6.694 5.267 ( 3.482 2.739 -4.294) 6.170 5.362 ( -4.938 0.326 -3.305) 5.951 5.600 ( 4.521 1.825 0.362) 4.889 5.686 ( 1.482 -5.227 -4.722) 7.198 5.718 ( -2.782 -0.430 -0.503) 2.860 5.789 ( -5.716 1.983 1.390) 6.208 6.217 ( 7.764 -0.700 0.233) 7.799 6.384 ( -7.498 -2.063 -0.550) 7.796 7.023 ( 2.809 3.629 -7.443) 8.745 7.045 ( 1.380 4.344 -10.715) 11.644 7.361 ( 9.929 3.083 -7.202) 12.647 7.546 ( -7.318 -1.033 -5.903) 9.459 10.298 ( 2.702 1.404 7.397) 7.999 10.358 ( -2.706 0.955 7.238) 7.786 10.466 ( 2.244 -1.100 6.871) 7.311 10.515 ( -2.246 -1.341 6.363) 6.880 11.901 ( 0.919 0.740 6.236) 6.347 11.921 ( -0.819 0.798 5.506) 5.623 12.021 ( 3.233 -0.261 5.715) 6.571 12.098 ( -3.938 -1.629 6.662) 7.909 14.651 ( 1.692 0.015 -2.131) 2.721 14.689 ( -1.803 -0.931 -2.009) 2.855 14.803 ( 0.256 0.699 -2.135) 2.261 14.806 ( 0.098 0.494 -2.039) 2.100 18.261 ( 1.201 0.458 -0.501) 1.379 18.288 ( -1.265 -0.009 0.006) 1.265 18.349 ( 0.263 -0.285 0.086) 0.397 18.356 ( -0.258 -0.250 0.392) 0.532 18.435 ( 0.787 0.239 -0.080) 0.827 18.455 ( -1.036 0.219 0.315) 1.105 18.520 ( 0.444 -0.483 -0.117) 0.666 18.528 ( -0.251 -0.335 0.200) 0.463 19.417 ( 0.103 -0.105 0.608) 0.626 19.420 ( -0.178 -0.147 0.639) 0.679 19.423 ( 0.182 0.116 0.612) 0.649 19.429 ( -0.388 -0.074 1.076) 1.146 21.932 ( 0.436 -0.287 10.466) 10.479 21.941 ( -0.280 -0.181 10.703) 10.709 22.139 ( 0.858 0.156 9.936) 9.974 22.172 ( -2.402 -0.802 12.024) 12.288 22.533 ( 0.915 0.353 0.095) 0.985 22.553 ( -0.932 -0.008 0.161) 0.946 22.606 ( 0.186 -0.142 0.249) 0.342 22.610 ( -0.082 -0.105 0.220) 0.257 22.751 ( 0.014 0.014 -0.288) 0.289 22.751 ( -0.033 -0.027 -0.352) 0.355 22.783 ( 0.315 0.167 -0.188) 0.403 22.789 ( -0.276 0.001 -0.200) 0.341 24.122 ( 1.052 1.314 -3.274) 3.682 24.146 ( -1.040 1.651 -3.805) 4.276 24.488 ( 5.210 -0.683 -7.123) 8.852 24.598 ( -4.811 -2.251 -6.857) 8.674 24.686 ( 0.440 0.153 -0.019) 0.467 24.699 ( -0.795 0.177 -0.139) 0.826 24.729 ( 0.415 -0.693 -0.309) 0.865 24.737 ( -0.365 -0.633 -0.287) 0.785 25.433 ( 2.954 1.562 -0.721) 3.418 25.492 ( -2.461 0.539 -1.224) 2.801 25.772 ( 0.920 -0.009 -5.246) 5.326 25.785 ( -0.395 -0.304 -4.030) 4.061 29.726 ( 0.009 -0.016 1.722) 1.722 29.727 ( -0.011 -0.013 1.695) 1.695 29.742 ( 0.074 0.021 2.090) 2.091 29.744 ( -0.091 -0.017 2.083) 2.085 30.268 ( 0.063 0.066 -1.382) 1.385 30.269 ( -0.084 0.102 -1.386) 1.393 30.364 ( 1.009 0.170 -1.315) 1.666 30.386 ( -0.972 -0.264 -1.325) 1.664 46.486 ( 2.906 2.709 1.756) 4.344 46.543 ( -2.001 4.226 1.425) 4.888 47.818 ( 12.858 -7.128 -17.508) 22.862 48.104 ( -13.957 -11.419 -10.520) 20.878 55.855 ( 2.019 1.710 -3.757) 4.595 55.896 ( -1.678 1.116 -3.487) 4.027 55.965 ( 4.019 3.712 -0.113) 5.472 56.023 ( -1.259 2.522 -0.133) 2.822 56.219 ( 0.235 0.795 -4.391) 4.468 56.227 ( -0.436 -0.176 -3.792) 3.821 56.441 ( 0.055 -0.028 7.214) 7.214 56.441 ( 0.036 -0.050 7.260) 7.260 56.828 ( 7.678 1.319 -9.484) 12.273 56.961 ( -4.714 -1.989 -5.166) 7.271 57.332 ( -0.726 0.010 11.578) 11.601 57.362 ( -3.176 0.040 7.919) 8.532 60.000 ( 0.531 1.728 -3.964) 4.357 60.008 ( -0.226 2.090 -4.347) 4.829 60.065 ( 2.553 -0.143 -5.125) 5.727 60.110 ( -1.637 -0.423 -5.490) 5.745 61.978 ( 0.139 0.226 13.323) 13.325 61.980 ( -0.043 0.397 13.697) 13.703 62.002 ( 1.347 -0.289 14.822) 14.886 62.041 ( -2.506 -1.142 17.247) 17.465 65.158 ( 0.075 0.161 -2.597) 2.603 65.161 ( -0.113 0.263 -2.870) 2.884 65.172 ( 0.269 -0.129 -3.411) 3.424 65.177 ( -0.164 -0.100 -3.529) 3.534 ======================= Grid point 37 (12/36) ======================= q-point: ( 0.40 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 6.444 6.444 16.736) 19.056 1.359 ( -2.918 -2.918 16.140) 16.659 1.509 ( 14.818 14.818 4.079) 21.349 1.588 ( 0.617 0.617 8.857) 8.900 1.630 ( -2.799 -2.799 9.176) 9.994 1.757 ( 5.094 5.094 4.131) 8.305 1.826 ( -1.412 -1.412 3.315) 3.870 2.037 ( -8.146 -8.146 2.362) 11.759 2.101 ( 12.359 12.359 2.816) 17.704 2.237 ( -1.383 -1.383 -0.832) 2.125 2.572 ( 2.822 2.822 2.514) 4.717 2.575 ( 1.507 1.507 1.181) 2.437 2.718 ( -6.562 -6.562 0.368) 9.287 2.746 ( -5.682 -5.682 1.477) 8.170 2.778 ( -2.413 -2.413 -0.290) 3.425 2.858 ( -7.306 -7.306 -2.596) 10.653 3.231 ( 1.573 1.573 3.961) 4.543 3.289 ( -3.401 -3.401 3.407) 5.894 3.436 ( 2.117 2.117 1.130) 3.200 3.447 ( 1.263 1.263 0.820) 1.965 3.636 ( 5.166 5.166 -1.564) 7.471 3.757 ( -2.637 -2.637 -2.625) 4.560 3.807 ( -1.022 -1.022 -1.779) 2.292 3.891 ( -5.538 -5.538 -1.482) 7.971 4.117 ( 4.381 4.381 1.125) 6.297 4.207 ( -2.398 -2.398 0.723) 3.468 4.338 ( 4.511 4.511 1.766) 6.620 4.450 ( -3.964 -3.964 -0.409) 5.621 4.543 ( 4.099 4.099 -2.447) 6.292 4.592 ( 1.627 1.627 -8.989) 9.279 4.694 ( -1.332 -1.332 -3.006) 3.547 4.696 ( 1.245 1.245 0.346) 1.794 4.709 ( -2.627 -2.627 -2.985) 4.766 4.776 ( -4.110 -4.110 -6.406) 8.650 5.097 ( 0.717 0.717 0.213) 1.037 5.147 ( -3.714 -3.714 2.003) 5.621 5.334 ( 3.275 3.275 -3.068) 5.556 5.379 ( -0.166 -0.166 -2.448) 2.459 5.585 ( -2.204 -2.204 -3.660) 4.808 5.591 ( -2.077 -2.077 -4.063) 5.014 5.770 ( 4.001 4.001 4.584) 7.283 5.823 ( -0.186 -0.186 6.582) 6.588 6.231 ( 2.506 2.506 -2.168) 4.155 6.313 ( -4.352 -4.352 -1.858) 6.429 7.087 ( 2.077 2.077 -7.415) 7.975 7.104 ( 0.794 0.794 -8.719) 8.791 7.444 ( 4.075 4.075 -6.799) 8.912 7.513 ( -2.289 -2.289 -6.406) 7.178 10.337 ( 2.076 2.076 7.125) 7.706 10.370 ( -0.461 -0.461 6.910) 6.940 10.449 ( 0.264 0.264 7.048) 7.058 10.479 ( -1.920 -1.920 6.694) 7.224 11.921 ( 0.990 0.990 5.674) 5.844 11.933 ( 0.057 0.057 5.153) 5.153 12.023 ( 0.827 0.827 6.374) 6.481 12.057 ( -2.028 -2.028 6.449) 7.058 14.656 ( 0.413 0.413 -1.932) 2.018 14.669 ( -0.851 -0.851 -1.878) 2.230 14.815 ( 0.320 0.320 -2.282) 2.327 14.816 ( 0.302 0.302 -2.374) 2.412 18.273 ( 0.650 0.650 -0.272) 0.958 18.285 ( -0.351 -0.351 -0.040) 0.498 18.345 ( -0.032 -0.032 0.036) 0.058 18.349 ( -0.329 -0.329 0.180) 0.499 18.445 ( 0.596 0.596 0.198) 0.866 18.455 ( -0.289 -0.289 0.379) 0.557 18.513 ( -0.044 -0.044 -0.087) 0.107 18.519 ( -0.462 -0.462 0.076) 0.657 19.416 ( -0.003 -0.003 0.624) 0.624 19.417 ( -0.121 -0.121 0.666) 0.687 19.425 ( 0.092 0.092 0.627) 0.641 19.427 ( -0.070 -0.070 0.740) 0.747 21.929 ( 0.058 0.058 10.480) 10.480 21.934 ( -0.348 -0.348 10.625) 10.637 22.145 ( 0.384 0.384 9.979) 9.994 22.156 ( -0.639 -0.639 10.614) 10.653 22.543 ( 0.478 0.478 0.121) 0.687 22.551 ( -0.261 -0.261 0.150) 0.398 22.604 ( 0.000 0.000 0.264) 0.264 22.606 ( -0.159 -0.159 0.241) 0.330 22.751 ( 0.002 0.002 -0.290) 0.291 22.751 ( 0.007 0.007 -0.163) 0.163 22.786 ( 0.146 0.146 -0.327) 0.387 22.789 ( -0.073 -0.073 -0.312) 0.329 24.154 ( 1.451 1.451 -3.788) 4.309 24.170 ( 0.227 0.227 -4.075) 4.087 24.491 ( 1.242 1.242 -6.324) 6.563 24.539 ( -2.923 -2.923 -6.375) 7.598 24.692 ( 0.422 0.422 -0.081) 0.602 24.701 ( -0.223 -0.223 -0.177) 0.361 24.718 ( -0.123 -0.123 -0.142) 0.225 24.724 ( -0.555 -0.555 -0.173) 0.804 25.469 ( 1.617 1.617 -0.970) 2.484 25.494 ( -0.557 -0.557 -1.152) 1.396 25.773 ( 0.125 0.125 -4.523) 4.526 25.778 ( -0.309 -0.309 -4.095) 4.118 29.726 ( -0.002 -0.002 1.733) 1.733 29.726 ( -0.013 -0.013 1.718) 1.718 29.743 ( 0.034 0.034 2.065) 2.065 29.743 ( -0.031 -0.031 2.063) 2.064 30.270 ( 0.102 0.102 -1.396) 1.403 30.271 ( 0.009 0.009 -1.397) 1.397 30.370 ( 0.349 0.349 -1.323) 1.412 30.378 ( -0.422 -0.422 -1.328) 1.456 46.565 ( 3.826 3.826 1.193) 5.541 46.606 ( 0.683 0.683 0.915) 1.330 47.723 ( 0.083 0.083 -10.338) 10.338 47.846 ( -10.698 -10.698 -8.384) 17.297 55.894 ( 1.663 1.663 -5.379) 5.871 55.913 ( 0.093 0.093 -5.405) 5.406 56.037 ( 2.429 2.429 0.871) 3.544 56.059 ( 0.406 0.406 0.736) 0.934 56.228 ( 0.324 0.324 -3.726) 3.754 56.232 ( 0.177 0.177 -4.148) 4.155 56.440 ( 0.010 0.010 7.177) 7.177 56.441 ( 0.005 0.005 7.218) 7.218 56.864 ( 1.970 1.970 -9.002) 9.424 56.911 ( -2.439 -2.439 -7.250) 8.029 57.339 ( 0.642 0.642 10.498) 10.537 57.355 ( -0.687 -0.687 9.498) 9.547 60.035 ( 1.375 1.375 -4.975) 5.341 60.051 ( 0.741 0.741 -6.376) 6.461 60.063 ( 0.819 0.819 -3.738) 3.913 60.094 ( -1.182 -1.182 -5.193) 5.455 61.984 ( 0.378 0.378 13.831) 13.841 61.991 ( 0.226 0.226 15.477) 15.480 61.996 ( 0.178 0.178 13.235) 13.237 62.015 ( -1.193 -1.193 15.598) 15.689 65.163 ( 0.211 0.211 -2.785) 2.801 65.166 ( 0.066 0.066 -2.685) 2.687 65.170 ( 0.025 0.025 -3.605) 3.605 65.173 ( -0.202 -0.202 -3.434) 3.446 ======================= Grid point 50 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 0.000 0.000 22.533) 22.533 0.803 ( 0.000 0.000 22.533) 22.533 1.127 ( 0.000 0.000 15.148) 15.148 1.493 ( 0.000 0.000 33.232) 33.232 1.967 ( 0.000 0.000 5.387) 5.387 1.989 ( -0.000 -0.000 18.812) 18.812 1.989 ( 0.000 0.000 18.812) 18.812 2.222 ( 0.000 0.000 8.525) 8.525 2.279 ( 0.000 0.000 -6.509) 6.509 2.570 ( 0.000 0.000 1.316) 1.316 2.570 ( -0.000 -0.000 1.316) 1.316 2.753 ( 0.000 0.000 -1.258) 1.258 2.753 ( 0.000 0.000 -1.258) 1.258 2.969 ( 0.000 0.000 6.060) 6.060 3.179 ( 0.000 0.000 -0.706) 0.706 3.229 ( 0.000 0.000 -8.113) 8.113 3.232 ( -0.000 -0.000 1.186) 1.186 3.263 ( -0.000 0.000 -3.524) 3.524 3.263 ( -0.000 -0.000 -3.524) 3.524 3.496 ( 0.000 0.000 -4.465) 4.465 3.595 ( -0.000 0.000 -1.436) 1.436 3.595 ( 0.000 0.000 -1.436) 1.436 3.885 ( 0.000 0.000 5.576) 5.576 3.960 ( 0.000 0.000 -5.318) 5.318 3.960 ( 0.000 0.000 -5.318) 5.318 4.110 ( -0.000 -0.000 -5.599) 5.599 4.227 ( 0.000 0.000 -3.966) 3.966 4.227 ( 0.000 0.000 -3.966) 3.966 4.617 ( -0.000 -0.000 7.943) 7.943 4.764 ( -0.000 0.000 -6.428) 6.428 4.764 ( 0.000 0.000 -6.428) 6.428 4.841 ( 0.000 0.000 -4.525) 4.525 4.862 ( 0.000 0.000 -2.047) 2.047 4.916 ( 0.000 0.000 -5.421) 5.421 4.995 ( 0.000 0.000 -5.448) 5.448 5.117 ( -0.000 0.000 -4.324) 4.324 5.367 ( 0.000 0.000 -7.059) 7.059 5.375 ( 0.000 -0.000 -4.994) 4.994 5.375 ( -0.000 -0.000 -4.994) 4.994 5.434 ( 0.000 0.000 -8.730) 8.730 5.832 ( 0.000 0.000 -2.757) 2.757 6.040 ( 0.000 0.000 6.146) 6.146 6.040 ( 0.000 0.000 6.146) 6.146 6.207 ( 0.000 0.000 0.957) 0.957 6.731 ( -0.000 -0.000 3.621) 3.621 6.741 ( -0.000 -0.000 -7.213) 7.213 6.741 ( 0.000 0.000 -7.213) 7.213 7.631 ( 0.000 0.000 -7.903) 7.903 10.413 ( 0.000 -0.000 12.164) 12.164 10.604 ( -0.000 -0.000 11.223) 11.223 10.604 ( 0.000 -0.000 11.223) 11.223 10.727 ( -0.000 -0.000 8.522) 8.522 12.048 ( 0.000 0.000 7.145) 7.145 12.048 ( 0.000 0.000 7.145) 7.145 12.054 ( 0.000 0.000 10.606) 10.606 12.458 ( 0.000 0.000 3.492) 3.492 14.540 ( 0.000 0.000 -3.158) 3.158 14.727 ( 0.000 0.000 -3.240) 3.240 14.727 ( 0.000 0.000 -3.310) 3.310 14.727 ( 0.000 0.000 -3.228) 3.228 18.198 ( 0.000 0.000 -1.252) 1.252 18.334 ( 0.000 0.000 -0.836) 0.836 18.334 ( 0.000 -0.000 -0.836) 0.836 18.375 ( 0.000 -0.000 0.339) 0.339 18.407 ( 0.000 -0.000 0.630) 0.630 18.508 ( -0.000 -0.000 1.394) 1.394 18.508 ( 0.000 0.000 1.394) 1.394 18.536 ( -0.000 -0.000 0.702) 0.702 19.428 ( 0.000 0.000 0.706) 0.706 19.428 ( -0.000 -0.000 0.706) 0.706 19.439 ( -0.000 -0.000 0.923) 0.923 19.513 ( -0.000 -0.000 0.176) 0.176 22.184 ( -0.000 0.000 15.880) 15.880 22.184 ( -0.000 0.000 15.880) 15.880 22.367 ( 0.000 0.000 14.790) 14.790 22.506 ( 0.000 0.000 0.274) 0.274 22.591 ( -0.000 0.000 -0.411) 0.411 22.591 ( -0.000 -0.000 -0.411) 0.411 22.605 ( 0.000 0.000 0.595) 0.595 22.751 ( -0.000 0.000 0.030) 0.030 22.751 ( 0.000 0.000 0.030) 0.030 22.760 ( -0.000 -0.000 -0.667) 0.667 22.776 ( 0.000 0.000 -0.128) 0.128 22.846 ( 0.000 0.000 6.291) 6.291 24.041 ( 0.000 -0.000 -6.717) 6.717 24.041 ( 0.000 0.000 -6.717) 6.717 24.049 ( -0.000 0.000 -3.292) 3.292 24.559 ( 0.000 0.000 -11.499) 11.499 24.684 ( -0.000 0.000 0.156) 0.156 24.714 ( 0.000 0.000 -0.456) 0.456 24.714 ( -0.000 0.000 -0.456) 0.456 24.743 ( 0.000 0.000 -0.502) 0.502 25.334 ( -0.000 -0.000 0.504) 0.504 25.506 ( 0.000 0.000 -2.866) 2.866 25.506 ( 0.000 0.000 -2.866) 2.866 25.707 ( 0.000 -0.000 -5.462) 5.462 29.772 ( 0.000 0.000 2.833) 2.833 29.772 ( 0.000 0.000 2.833) 2.833 29.786 ( 0.000 0.000 2.670) 2.670 29.799 ( 0.000 0.000 3.048) 3.048 30.233 ( 0.000 -0.000 -2.372) 2.372 30.233 ( -0.000 0.000 -2.372) 2.372 30.300 ( 0.000 0.000 -1.850) 1.850 30.380 ( -0.000 -0.000 -2.348) 2.348 46.421 ( 0.000 0.000 -2.004) 2.004 46.421 ( 0.000 0.000 -2.004) 2.004 46.628 ( -0.000 -0.000 10.035) 10.035 48.401 ( -0.000 -0.000 -13.452) 13.452 55.754 ( 0.000 0.000 -1.206) 1.206 55.754 ( 0.000 0.000 -1.206) 1.206 55.925 ( 0.000 0.000 -0.704) 0.704 55.987 ( 0.000 0.000 -1.154) 1.154 56.169 ( 0.000 0.000 -5.193) 5.193 56.169 ( -0.000 0.000 -5.193) 5.193 56.281 ( 0.000 0.000 0.283) 0.283 56.618 ( 0.000 0.000 10.609) 10.609 56.618 ( 0.000 0.000 10.609) 10.609 57.006 ( 0.000 0.000 -7.007) 7.007 57.561 ( 0.000 0.000 6.009) 6.009 57.808 ( -0.000 -0.000 2.263) 2.263 59.883 ( 0.000 0.000 -5.326) 5.326 59.883 ( -0.000 -0.000 -5.326) 5.326 59.911 ( 0.000 -0.000 -3.244) 3.244 60.045 ( -0.000 0.000 -6.349) 6.349 62.304 ( 0.000 0.000 20.711) 20.711 62.327 ( 0.000 0.000 21.676) 21.676 62.327 ( 0.000 0.000 21.676) 21.676 62.647 ( 0.000 0.000 15.831) 15.831 65.063 ( 0.000 0.000 -7.710) 7.710 65.073 ( 0.000 0.000 -6.086) 6.086 65.073 ( 0.000 0.000 -6.086) 6.086 65.110 ( 0.000 0.000 -4.144) 4.144 ======================= Grid point 51 (14/36) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 9.231 0.000 19.853) 21.894 1.069 ( 19.226 0.000 16.102) 25.079 1.271 ( 9.755 0.000 13.278) 16.476 1.589 ( 9.894 0.000 27.808) 29.516 1.876 ( -7.143 0.000 12.381) 14.293 1.963 ( -2.262 0.000 10.076) 10.327 1.996 ( 0.511 0.000 18.200) 18.207 2.153 ( -3.458 0.000 8.068) 8.778 2.281 ( -0.381 0.000 -0.923) 0.998 2.554 ( -1.517 0.000 0.747) 1.691 2.577 ( -0.424 0.000 1.531) 1.589 2.737 ( -2.654 0.000 -0.592) 2.719 2.752 ( -2.000 0.000 1.187) 2.326 2.910 ( -1.489 0.000 1.951) 2.455 3.090 ( -8.795 0.000 -1.178) 8.874 3.193 ( 0.654 0.000 -2.938) 3.010 3.197 ( -2.754 0.000 -1.968) 3.385 3.221 ( -4.695 0.000 -1.305) 4.873 3.304 ( 0.361 0.000 -5.595) 5.607 3.459 ( -2.961 0.000 -3.700) 4.739 3.534 ( -1.094 0.000 2.363) 2.604 3.694 ( 5.161 0.000 -0.786) 5.221 3.909 ( -0.914 0.000 -5.897) 5.967 3.937 ( 2.082 0.000 -6.421) 6.750 4.054 ( 7.931 0.000 2.990) 8.476 4.125 ( -1.477 0.000 -2.563) 2.958 4.231 ( 0.653 0.000 -4.515) 4.562 4.258 ( 2.828 0.000 -8.132) 8.610 4.540 ( -9.676 0.000 -1.102) 9.738 4.580 ( -3.545 0.000 6.720) 7.598 4.696 ( -4.698 0.000 -7.070) 8.489 4.831 ( -5.124 0.000 -4.345) 6.718 4.874 ( 1.761 0.000 -1.965) 2.639 4.968 ( 3.780 0.000 -2.933) 4.785 4.995 ( 0.020 0.000 -6.147) 6.147 5.118 ( -2.727 0.000 5.277) 5.940 5.172 ( 3.800 0.000 -2.894) 4.776 5.389 ( -4.164 0.000 -7.952) 8.976 5.416 ( 4.241 0.000 -3.669) 5.608 5.682 ( 1.343 0.000 -11.646) 11.723 5.724 ( -6.808 0.000 -3.677) 7.737 5.958 ( -5.128 0.000 7.306) 8.926 6.145 ( 7.090 0.000 5.671) 9.079 6.317 ( 9.161 0.000 -10.386) 13.849 6.708 ( -0.578 0.000 2.303) 2.375 6.766 ( 1.858 0.000 -8.107) 8.317 6.904 ( 12.085 0.000 -7.172) 14.053 7.577 ( -5.094 0.000 -8.018) 9.499 10.430 ( 1.577 0.000 12.053) 12.155 10.586 ( -1.726 0.000 11.233) 11.365 10.618 ( 1.217 0.000 11.007) 11.074 10.717 ( -0.903 0.000 8.849) 8.895 12.051 ( 0.205 0.000 7.488) 7.491 12.053 ( 0.114 0.000 10.233) 10.233 12.078 ( 2.519 0.000 7.327) 7.748 12.387 ( -5.572 0.000 5.926) 8.134 14.555 ( 1.365 0.000 -3.254) 3.529 14.692 ( -2.008 0.000 -3.363) 3.917 14.732 ( 0.377 0.000 -3.348) 3.369 14.746 ( 0.477 0.000 -3.209) 3.245 18.210 ( 1.054 0.000 -1.133) 1.548 18.319 ( -1.350 0.000 -0.580) 1.469 18.338 ( 0.370 0.000 -0.769) 0.854 18.373 ( -0.303 0.000 -0.154) 0.340 18.416 ( 0.776 0.000 0.843) 1.146 18.493 ( -1.144 0.000 1.327) 1.752 18.517 ( 0.678 0.000 0.928) 1.150 18.540 ( 0.184 0.000 0.676) 0.700 19.429 ( 0.094 0.000 0.716) 0.722 19.430 ( 0.211 0.000 0.762) 0.790 19.438 ( -0.095 0.000 0.906) 0.911 19.490 ( -1.745 0.000 0.967) 1.995 22.192 ( 0.627 0.000 15.971) 15.983 22.193 ( 0.668 0.000 15.802) 15.816 22.369 ( 0.320 0.000 14.781) 14.784 22.513 ( 0.632 0.000 0.284) 0.693 22.579 ( -0.900 0.000 0.038) 0.900 22.586 ( -1.230 0.000 1.406) 1.868 22.611 ( 0.334 0.000 0.227) 0.403 22.678 ( -8.660 0.000 11.308) 14.243 22.745 ( -0.339 0.000 -0.418) 0.538 22.749 ( -0.356 0.000 -0.381) 0.521 22.768 ( 0.544 0.000 -0.222) 0.587 22.792 ( -0.456 0.000 0.316) 0.555 24.032 ( -0.422 0.000 -4.521) 4.540 24.037 ( -0.298 0.000 -6.467) 6.474 24.159 ( 7.564 0.000 -9.084) 11.821 24.528 ( -2.863 0.000 -11.343) 11.698 24.683 ( -0.045 0.000 0.142) 0.149 24.707 ( -0.552 0.000 -0.358) 0.658 24.719 ( 0.389 0.000 -0.498) 0.632 24.741 ( -0.189 0.000 -0.508) 0.542 25.353 ( 1.708 0.000 0.124) 1.713 25.492 ( -1.317 0.000 -2.583) 2.900 25.571 ( 4.489 0.000 -5.491) 7.092 25.702 ( -0.420 0.000 -5.570) 5.586 29.772 ( -0.032 0.000 2.795) 2.795 29.772 ( -0.017 0.000 2.820) 2.820 29.789 ( 0.214 0.000 2.827) 2.836 29.798 ( -0.052 0.000 3.068) 3.069 30.232 ( -0.083 0.000 -2.352) 2.354 30.232 ( -0.066 0.000 -2.370) 2.371 30.307 ( 0.691 0.000 -1.933) 2.053 30.373 ( -0.670 0.000 -2.326) 2.421 46.443 ( 1.939 0.000 -0.963) 2.165 46.598 ( -0.766 0.000 7.222) 7.262 46.848 ( 30.136 0.000 -14.306) 33.359 48.276 ( -11.342 0.000 -14.027) 18.039 55.762 ( 0.845 0.000 -1.692) 1.891 55.791 ( 3.046 0.000 -1.811) 3.544 55.909 ( -1.327 0.000 -0.577) 1.447 55.984 ( -0.220 0.000 -0.870) 0.897 56.137 ( -1.484 0.000 -4.105) 4.365 56.162 ( -0.689 0.000 -5.044) 5.091 56.415 ( 9.910 0.000 -3.711) 10.582 56.620 ( 0.154 0.000 10.636) 10.637 56.622 ( 0.362 0.000 10.453) 10.460 56.971 ( -3.443 0.000 -7.624) 8.365 57.540 ( -1.648 0.000 7.227) 7.412 57.707 ( -7.561 0.000 6.799) 10.169 59.888 ( 0.437 0.000 -5.101) 5.120 59.904 ( 1.816 0.000 -5.539) 5.829 59.910 ( -0.107 0.000 -3.458) 3.460 60.029 ( -1.318 0.000 -6.180) 6.319 62.304 ( 0.043 0.000 20.572) 20.572 62.323 ( -0.330 0.000 21.421) 21.423 62.343 ( 1.454 0.000 22.010) 22.058 62.573 ( -5.515 0.000 19.640) 20.400 65.060 ( -0.128 0.000 -7.444) 7.445 65.073 ( -0.034 0.000 -6.404) 6.405 65.079 ( 0.402 0.000 -6.124) 6.137 65.100 ( -0.645 0.000 -4.314) 4.362 ======================= Grid point 52 (15/36) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 11.381 0.000 15.493) 19.224 1.335 ( -4.569 0.000 12.783) 13.575 1.437 ( 13.889 0.000 15.687) 20.953 1.689 ( -10.283 0.000 14.702) 17.941 1.872 ( 9.367 0.000 12.349) 15.499 1.926 ( -0.876 0.000 9.795) 9.834 2.044 ( 7.967 0.000 15.966) 17.844 2.221 ( 10.825 0.000 6.569) 12.662 2.237 ( -4.896 0.000 5.477) 7.346 2.480 ( -8.017 0.000 0.719) 8.049 2.552 ( -0.654 0.000 2.540) 2.623 2.603 ( -7.134 0.000 4.528) 8.450 2.692 ( -0.289 0.000 2.769) 2.784 2.832 ( -12.628 0.000 1.133) 12.679 2.974 ( 5.658 0.000 -2.080) 6.029 3.098 ( -5.672 0.000 -2.024) 6.022 3.177 ( 1.099 0.000 -6.482) 6.574 3.219 ( -0.935 0.000 -6.745) 6.810 3.309 ( 2.310 0.000 -1.624) 2.824 3.386 ( -3.843 0.000 -1.772) 4.232 3.581 ( 4.163 0.000 1.986) 4.612 3.677 ( -4.370 0.000 0.439) 4.392 3.971 ( 1.188 0.000 -6.321) 6.431 3.977 ( 2.141 0.000 -5.570) 5.967 4.107 ( 2.776 0.000 -2.976) 4.070 4.162 ( 0.186 0.000 -3.245) 3.250 4.293 ( 1.125 0.000 -5.108) 5.231 4.295 ( 4.129 0.000 -1.205) 4.301 4.497 ( 2.650 0.000 -2.629) 3.732 4.498 ( -1.330 0.000 4.080) 4.292 4.600 ( -3.982 0.000 -7.931) 8.874 4.655 ( -9.706 0.000 -1.283) 9.790 4.931 ( 2.993 0.000 0.584) 3.049 4.974 ( -1.055 0.000 2.278) 2.511 5.091 ( 6.361 0.000 -6.643) 9.197 5.128 ( 2.107 0.000 1.722) 2.721 5.202 ( -1.178 0.000 -1.010) 1.552 5.264 ( -6.932 0.000 -6.150) 9.267 5.554 ( 6.347 0.000 -4.799) 7.957 5.618 ( -3.360 0.000 -9.119) 9.719 5.635 ( 1.227 0.000 -2.293) 2.601 5.802 ( -9.366 0.000 5.107) 10.668 6.295 ( 6.628 0.000 4.353) 7.930 6.403 ( -2.285 0.000 -2.267) 3.219 6.751 ( 3.674 0.000 -8.395) 9.164 6.793 ( 0.055 0.000 -9.903) 9.903 7.177 ( 12.725 0.000 -7.899) 14.977 7.419 ( -9.655 0.000 -8.199) 12.667 10.476 ( 2.656 0.000 11.768) 12.064 10.536 ( -2.778 0.000 11.435) 11.768 10.652 ( 1.839 0.000 10.412) 10.573 10.690 ( -1.642 0.000 9.601) 9.740 12.054 ( 0.099 0.000 8.454) 8.455 12.054 ( 0.061 0.000 9.600) 9.600 12.154 ( 4.465 0.000 7.396) 8.639 12.263 ( -5.685 0.000 7.475) 9.391 14.594 ( 2.240 0.000 -3.437) 4.103 14.645 ( -2.392 0.000 -3.481) 4.224 14.741 ( 0.458 0.000 -3.336) 3.367 14.749 ( -0.184 0.000 -3.271) 3.276 18.241 ( 1.804 0.000 -0.838) 1.989 18.282 ( -1.974 0.000 -0.552) 2.049 18.349 ( 0.616 0.000 -0.611) 0.868 18.363 ( -0.607 0.000 -0.443) 0.752 18.438 ( 1.238 0.000 1.010) 1.598 18.466 ( -1.376 0.000 1.200) 1.826 18.531 ( 0.575 0.000 0.557) 0.801 18.540 ( -0.222 0.000 0.561) 0.604 19.432 ( 0.153 0.000 0.748) 0.763 19.435 ( -0.083 0.000 0.768) 0.772 19.439 ( 0.493 0.000 1.038) 1.150 19.457 ( -1.203 0.000 1.249) 1.734 22.205 ( 0.465 0.000 16.045) 16.052 22.206 ( 0.409 0.000 15.856) 15.861 22.391 ( 2.112 0.000 15.061) 15.208 22.473 ( -5.781 0.000 14.961) 16.039 22.533 ( 0.996 0.000 0.509) 1.118 22.557 ( -1.147 0.000 0.252) 1.174 22.614 ( -0.058 0.000 0.696) 0.699 22.615 ( 0.044 0.000 0.175) 0.181 22.740 ( -0.068 0.000 -0.606) 0.610 22.742 ( -0.239 0.000 -0.571) 0.619 22.779 ( 0.463 0.000 -0.042) 0.465 22.787 ( -0.239 0.000 -0.066) 0.248 24.027 ( -0.042 0.000 -5.042) 5.042 24.030 ( -0.321 0.000 -5.820) 5.829 24.314 ( 6.742 0.000 -10.543) 12.515 24.441 ( -5.162 0.000 -10.972) 12.126 24.685 ( 0.276 0.000 0.056) 0.282 24.694 ( -0.600 0.000 -0.138) 0.615 24.728 ( 0.424 0.000 -0.560) 0.702 24.736 ( -0.319 0.000 -0.555) 0.640 25.400 ( 2.522 0.000 -0.793) 2.644 25.453 ( -2.286 0.000 -1.816) 2.919 25.649 ( 2.641 0.000 -6.456) 6.975 25.687 ( -1.116 0.000 -5.951) 6.055 29.771 ( 0.000 0.000 2.775) 2.775 29.772 ( -0.021 0.000 2.792) 2.792 29.793 ( 0.170 0.000 3.034) 3.038 29.796 ( -0.104 0.000 3.094) 3.096 30.230 ( -0.042 0.000 -2.337) 2.337 30.231 ( -0.057 0.000 -2.358) 2.358 30.328 ( 1.170 0.000 -2.128) 2.428 30.353 ( -1.120 0.000 -2.259) 2.521 46.496 ( 2.891 0.000 1.817) 3.414 46.556 ( -2.592 0.000 5.301) 5.901 47.472 ( 26.133 0.000 -20.387) 33.145 47.948 ( -19.015 0.000 -16.569) 25.221 55.793 ( 2.020 0.000 -2.380) 3.122 55.833 ( -0.836 0.000 -3.081) 3.192 55.905 ( 2.409 0.000 -0.067) 2.410 55.964 ( -2.078 0.000 -0.820) 2.234 56.124 ( 0.298 0.000 -4.308) 4.318 56.142 ( -1.102 0.000 -4.687) 4.815 56.610 ( 3.029 0.000 6.120) 6.829 56.622 ( -0.006 0.000 10.601) 10.601 56.662 ( 7.956 0.000 -2.892) 8.465 56.853 ( -7.705 0.000 -8.363) 11.371 57.517 ( 0.199 0.000 9.596) 9.598 57.567 ( -4.694 0.000 10.347) 11.361 59.898 ( 0.448 0.000 -4.517) 4.539 59.906 ( -0.282 0.000 -3.876) 3.886 59.950 ( 2.305 0.000 -6.026) 6.452 59.995 ( -1.879 0.000 -6.177) 6.457 62.307 ( 0.260 0.000 20.572) 20.574 62.315 ( -0.400 0.000 20.910) 20.914 62.388 ( 2.770 0.000 22.498) 22.667 62.463 ( -4.415 0.000 22.357) 22.789 65.061 ( 0.189 0.000 -7.184) 7.186 65.068 ( -0.411 0.000 -6.812) 6.824 65.086 ( 0.296 0.000 -5.714) 5.721 65.091 ( -0.226 0.000 -5.041) 5.046 ======================= Grid point 56 (16/36) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 11.460 11.460 15.602) 22.496 1.202 ( 12.246 12.246 15.263) 23.084 1.418 ( 10.887 10.887 10.653) 18.722 1.658 ( 7.000 7.000 23.157) 25.184 1.849 ( -4.022 -4.022 10.795) 12.202 1.905 ( -2.406 -2.406 12.854) 13.296 2.006 ( 0.215 0.215 16.295) 16.298 2.106 ( -2.897 -2.897 9.277) 10.141 2.252 ( -2.265 -2.265 1.569) 3.567 2.531 ( -3.705 -3.705 1.338) 5.408 2.562 ( -0.428 -0.428 1.549) 1.663 2.624 ( -4.257 -4.257 1.452) 6.193 2.849 ( 1.365 1.365 -0.942) 2.148 2.854 ( -1.965 -1.965 -1.065) 2.976 3.043 ( -5.426 -5.426 -1.802) 7.882 3.096 ( -8.511 -8.511 -0.439) 12.044 3.195 ( 2.101 2.101 -0.011) 2.971 3.286 ( 0.976 0.976 -4.573) 4.777 3.306 ( 2.803 2.803 -1.708) 4.316 3.433 ( -2.353 -2.353 -4.009) 5.210 3.548 ( 0.573 0.573 3.121) 3.225 3.741 ( 4.149 4.149 -0.731) 5.913 3.831 ( -3.376 -3.376 -5.583) 7.346 3.987 ( 0.914 0.914 -5.163) 5.322 4.083 ( -3.927 -3.927 -1.493) 5.751 4.093 ( 5.390 5.390 -1.719) 7.815 4.295 ( 4.140 4.140 -7.223) 9.298 4.300 ( 2.734 2.734 -3.854) 5.459 4.442 ( -5.833 -5.833 0.106) 8.250 4.560 ( -2.206 -2.206 6.435) 7.152 4.683 ( -2.261 -2.261 -6.018) 6.815 4.715 ( -4.095 -4.095 -7.556) 9.520 4.792 ( -4.381 -4.381 -5.545) 8.315 4.971 ( -7.745 -7.745 3.329) 11.448 5.019 ( 3.757 3.757 -3.474) 6.348 5.072 ( 3.792 3.792 -2.564) 5.945 5.331 ( 7.016 7.016 3.112) 10.399 5.347 ( -1.537 -1.537 -4.285) 4.804 5.489 ( 2.386 2.386 -6.396) 7.232 5.591 ( -6.829 -6.829 -4.327) 10.583 5.690 ( -1.596 -1.596 -7.413) 7.749 6.000 ( -1.394 -1.394 7.056) 7.326 6.131 ( 2.244 2.244 4.300) 5.344 6.388 ( 3.765 3.765 -10.636) 11.894 6.726 ( 2.512 2.512 -2.461) 4.322 6.804 ( 2.468 2.468 -8.790) 9.457 7.002 ( 8.539 8.539 -7.276) 14.099 7.532 ( -4.139 -4.139 -8.101) 9.994 10.446 ( 1.469 1.469 11.925) 12.105 10.583 ( -0.874 -0.874 11.021) 11.090 10.616 ( 0.415 0.415 11.088) 11.104 10.707 ( -0.967 -0.967 9.145) 9.247 12.053 ( 0.232 0.232 7.346) 7.354 12.054 ( 0.131 0.131 10.077) 10.078 12.100 ( 1.971 1.971 7.702) 8.191 12.339 ( -3.931 -3.931 6.989) 8.930 14.566 ( 1.035 1.035 -3.280) 3.592 14.673 ( -1.499 -1.499 -3.288) 3.912 14.738 ( 0.400 0.400 -3.557) 3.601 14.750 ( 0.211 0.211 -3.255) 3.268 18.220 ( 0.944 0.944 -1.027) 1.685 18.311 ( -0.849 -0.849 -0.469) 1.289 18.339 ( 0.126 0.126 -0.712) 0.733 18.369 ( -0.337 -0.337 -0.258) 0.542 18.421 ( 0.609 0.609 0.901) 1.246 18.490 ( -0.604 -0.604 1.161) 1.441 18.515 ( 0.157 0.157 0.782) 0.812 18.541 ( -0.049 -0.049 0.633) 0.637 19.429 ( 0.050 0.050 0.774) 0.778 19.433 ( 0.190 0.190 0.761) 0.807 19.437 ( -0.089 -0.089 0.893) 0.902 19.475 ( -1.124 -1.124 1.209) 1.998 22.189 ( 0.200 0.200 15.993) 15.995 22.204 ( 0.523 0.523 15.860) 15.877 22.372 ( 0.346 0.346 14.776) 14.784 22.520 ( 0.583 0.583 0.267) 0.867 22.556 ( -4.050 -4.050 9.779) 11.333 22.573 ( -0.552 -0.552 0.076) 0.784 22.612 ( 0.095 0.095 0.106) 0.171 22.626 ( -2.088 -2.088 5.430) 6.181 22.741 ( -0.167 -0.167 -0.666) 0.707 22.750 ( -0.041 -0.041 -0.006) 0.059 22.770 ( 0.251 0.251 -0.412) 0.544 22.789 ( -0.121 -0.121 -0.063) 0.183 24.031 ( 0.012 0.012 -4.780) 4.780 24.049 ( 0.329 0.329 -6.706) 6.723 24.207 ( 4.261 4.261 -9.455) 11.212 24.499 ( -2.593 -2.593 -11.116) 11.705 24.682 ( 0.020 0.020 0.123) 0.126 24.708 ( -0.268 -0.268 -0.376) 0.534 24.716 ( 0.016 0.016 -0.396) 0.396 24.738 ( -0.297 -0.297 -0.460) 0.622 25.371 ( 1.614 1.614 -0.228) 2.294 25.490 ( -0.671 -0.671 -2.468) 2.644 25.602 ( 2.538 2.538 -6.283) 7.236 25.698 ( -0.411 -0.411 -5.644) 5.674 29.771 ( -0.015 -0.015 2.776) 2.776 29.772 ( -0.009 -0.009 2.826) 2.826 29.791 ( 0.128 0.128 2.919) 2.925 29.798 ( -0.042 -0.042 3.085) 3.086 30.231 ( -0.051 -0.051 -2.340) 2.341 30.233 ( 0.005 0.005 -2.378) 2.378 30.313 ( 0.546 0.546 -2.006) 2.149 30.367 ( -0.561 -0.561 -2.315) 2.447 46.461 ( 2.043 2.043 0.107) 2.891 46.631 ( 0.112 0.112 6.779) 6.780 47.044 ( 17.568 17.568 -18.504) 30.978 48.154 ( -10.877 -10.877 -13.788) 20.657 55.743 ( -0.010 -0.010 -3.831) 3.831 55.865 ( -2.447 -2.447 -2.827) 4.469 55.867 ( 4.772 4.772 -0.107) 6.750 56.023 ( 1.789 1.789 0.399) 2.561 56.130 ( -0.460 -0.460 -4.417) 4.465 56.153 ( -0.636 -0.636 -4.964) 5.044 56.492 ( 6.375 6.375 -4.884) 10.254 56.619 ( 0.032 0.032 10.631) 10.632 56.627 ( 0.333 0.333 10.071) 10.082 56.934 ( -3.523 -3.523 -7.944) 9.377 57.529 ( -0.726 -0.726 8.242) 8.306 57.652 ( -4.277 -4.277 8.689) 10.587 59.895 ( 0.507 0.507 -5.839) 5.883 59.911 ( 0.091 0.091 -3.811) 3.813 59.920 ( 1.434 1.434 -5.066) 5.457 60.020 ( -0.843 -0.843 -6.067) 6.183 62.305 ( 0.160 0.160 20.486) 20.487 62.333 ( 0.185 0.185 21.546) 21.547 62.342 ( 0.660 0.660 21.944) 21.964 62.525 ( -3.780 -3.780 21.215) 21.878 65.060 ( -0.009 -0.009 -7.493) 7.493 65.076 ( -0.131 -0.131 -6.564) 6.566 65.077 ( 0.198 0.198 -5.905) 5.912 65.096 ( -0.274 -0.274 -4.588) 4.604 ======================= Grid point 57 (17/36) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 10.617 13.984 12.300) 21.438 1.471 ( 6.773 5.560 15.796) 18.064 1.513 ( 0.505 12.532 9.891) 15.973 1.700 ( -8.547 1.110 14.707) 17.047 1.857 ( 5.346 -1.786 11.698) 12.985 1.898 ( 0.131 -2.211 10.510) 10.741 2.053 ( 7.848 -0.102 11.592) 13.999 2.162 ( 8.619 -3.715 9.135) 13.097 2.202 ( -2.493 -3.382 5.071) 6.585 2.387 ( -9.044 -8.456 2.861) 12.708 2.567 ( 1.482 1.935 2.566) 3.539 2.590 ( 0.338 0.507 2.606) 2.677 2.736 ( -6.569 2.644 2.878) 7.644 2.789 ( -11.260 -2.224 -0.128) 11.478 2.923 ( 2.150 -4.667 -2.717) 5.813 2.988 ( -3.441 -8.502 -3.567) 9.841 3.248 ( 3.024 3.146 -2.053) 4.823 3.311 ( -0.122 5.795 -4.498) 7.337 3.340 ( 0.622 3.157 -1.062) 3.389 3.384 ( -1.763 0.048 -0.400) 1.809 3.586 ( 3.590 0.586 1.450) 3.916 3.687 ( -5.375 1.207 -0.791) 5.565 3.889 ( 3.750 -5.380 -3.302) 7.342 3.962 ( -3.690 -2.649 -3.649) 5.827 4.082 ( 5.656 -1.447 -3.262) 6.688 4.179 ( -0.659 2.261 -5.755) 6.218 4.318 ( 1.784 -0.119 -0.433) 1.840 4.354 ( 1.563 4.403 -2.156) 5.145 4.452 ( 3.206 -1.109 -5.451) 6.420 4.494 ( -1.901 -2.027 2.346) 3.637 4.594 ( -3.386 0.392 -8.946) 9.574 4.641 ( -6.658 -1.307 -2.609) 7.269 4.761 ( 2.782 -8.605 -4.551) 10.124 4.834 ( -4.197 -8.609 -0.281) 9.582 5.124 ( 6.079 0.167 -0.190) 6.084 5.174 ( 5.128 3.281 -2.602) 6.621 5.278 ( -5.678 2.037 2.363) 6.479 5.282 ( -6.820 0.746 -3.200) 7.570 5.557 ( 1.293 -3.184 -6.952) 7.755 5.583 ( 1.170 -3.710 -3.819) 5.451 5.671 ( 5.852 7.172 -1.953) 9.460 5.866 ( -9.183 6.241 4.916) 12.143 6.251 ( 6.848 -3.672 3.163) 8.390 6.377 ( -4.310 -2.642 -0.701) 5.104 6.809 ( 3.651 4.488 -10.898) 12.339 6.841 ( 0.554 3.448 -10.511) 11.076 7.211 ( 10.087 3.045 -7.895) 13.166 7.404 ( -7.800 -1.326 -8.216) 11.406 10.489 ( 2.455 1.153 11.595) 11.908 10.543 ( -2.472 0.588 11.203) 11.488 10.642 ( 1.684 -0.824 10.611) 10.775 10.678 ( -1.644 -1.027 9.840) 10.029 12.057 ( 0.111 0.224 9.223) 9.226 12.057 ( 0.093 0.279 8.058) 8.063 12.160 ( 3.568 0.519 7.985) 8.761 12.246 ( -4.456 -1.440 7.885) 9.171 14.596 ( 1.748 0.220 -3.337) 3.774 14.636 ( -1.904 -0.710 -3.317) 3.890 14.746 ( 0.348 0.362 -3.601) 3.636 14.751 ( -0.102 0.185 -3.454) 3.460 18.248 ( 1.589 0.619 -0.761) 1.867 18.283 ( -1.623 0.048 -0.504) 1.700 18.346 ( 0.523 -0.264 -0.525) 0.787 18.359 ( -0.606 -0.360 -0.379) 0.800 18.441 ( 1.179 0.376 0.948) 1.560 18.468 ( -1.288 0.165 1.050) 1.670 18.524 ( 0.590 -0.508 0.559) 0.958 18.536 ( -0.412 -0.390 0.549) 0.790 19.431 ( 0.142 -0.023 0.820) 0.832 19.435 ( -0.140 -0.042 0.832) 0.844 19.439 ( 0.417 0.028 0.939) 1.027 19.452 ( -0.870 -0.348 1.190) 1.515 22.199 ( 0.611 -0.243 16.073) 16.087 22.209 ( -0.171 -0.060 16.003) 16.004 22.391 ( 1.705 0.057 14.987) 15.084 22.453 ( -4.204 -1.654 15.257) 15.912 22.537 ( 0.944 0.333 0.296) 1.044 22.557 ( -0.929 -0.020 0.217) 0.954 22.612 ( -0.002 -0.169 0.441) 0.473 22.613 ( -0.028 -0.163 0.155) 0.226 22.741 ( 0.141 0.110 -0.570) 0.597 22.746 ( -0.303 0.216 -0.291) 0.472 22.778 ( 0.420 -0.060 -0.212) 0.474 22.786 ( -0.260 -0.103 -0.114) 0.302 24.035 ( 0.395 0.769 -5.437) 5.505 24.045 ( -0.468 1.122 -6.248) 6.365 24.315 ( 5.385 0.242 -9.994) 11.355 24.422 ( -4.537 -1.691 -10.565) 11.622 24.686 ( 0.327 0.109 0.026) 0.346 24.696 ( -0.615 0.128 -0.170) 0.650 24.722 ( 0.396 -0.489 -0.425) 0.759 24.730 ( -0.392 -0.469 -0.440) 0.753 25.415 ( 2.282 1.245 -1.045) 2.802 25.461 ( -1.901 0.511 -1.902) 2.737 25.653 ( 1.989 0.371 -6.415) 6.726 25.684 ( -0.984 -0.287 -5.938) 6.026 29.771 ( 0.009 0.003 2.779) 2.779 29.772 ( -0.020 0.004 2.806) 2.806 29.794 ( 0.132 0.025 3.054) 3.057 29.796 ( -0.093 -0.021 3.103) 3.105 30.230 ( 0.046 0.049 -2.350) 2.351 30.232 ( -0.080 0.084 -2.372) 2.375 30.330 ( 0.944 0.146 -2.152) 2.355 30.350 ( -0.937 -0.270 -2.260) 2.462 46.523 ( 3.484 2.569 1.838) 4.703 46.595 ( -2.919 2.852 4.029) 5.735 47.460 ( 19.667 -0.556 -17.376) 26.249 47.851 ( -16.870 -8.380 -14.499) 23.770 55.764 ( 1.850 -0.914 -5.050) 5.456 55.812 ( -2.444 -1.671 -4.680) 5.538 55.970 ( 4.260 5.096 0.524) 6.662 56.031 ( -1.233 3.995 0.816) 4.260 56.126 ( 0.209 0.241 -4.852) 4.863 56.138 ( -0.752 -0.302 -4.842) 4.910 56.614 ( 1.581 0.318 7.806) 7.971 56.621 ( 0.061 -0.089 10.603) 10.604 56.670 ( 6.594 0.763 -4.673) 8.118 56.824 ( -6.651 -2.538 -8.184) 10.847 57.525 ( 0.702 0.667 9.932) 9.979 57.567 ( -3.225 -0.128 10.339) 10.831 59.905 ( 0.413 0.564 -5.592) 5.636 59.911 ( -0.125 0.389 -4.779) 4.797 59.958 ( 1.928 0.715 -5.350) 5.732 59.995 ( -1.480 -0.038 -5.827) 6.012 62.312 ( 0.458 0.437 20.604) 20.614 62.324 ( -0.605 0.769 21.061) 21.084 62.379 ( 2.423 -0.685 22.365) 22.507 62.443 ( -3.561 -1.702 22.465) 22.810 65.062 ( 0.192 0.071 -7.258) 7.261 65.068 ( -0.412 0.018 -6.811) 6.823 65.085 ( 0.359 -0.071 -5.667) 5.679 65.091 ( -0.232 -0.042 -5.211) 5.216 ======================= Grid point 62 (18/36) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 6.883 6.883 16.609) 19.252 1.627 ( 12.995 12.995 7.989) 20.038 1.709 ( -1.508 -1.508 17.766) 17.893 1.770 ( 2.733 2.733 8.969) 9.766 1.825 ( -0.931 -0.931 9.506) 9.597 1.872 ( 1.181 1.181 7.127) 7.320 1.937 ( -3.290 -3.290 8.738) 9.900 2.109 ( -7.684 -7.684 5.197) 12.045 2.189 ( 4.385 4.385 5.841) 8.519 2.240 ( -2.277 -2.277 1.560) 3.578 2.605 ( 1.990 1.990 1.727) 3.302 2.642 ( 4.008 4.008 4.668) 7.344 2.723 ( -6.260 -6.260 -0.013) 8.853 2.773 ( -3.568 -3.568 0.989) 5.141 2.792 ( -2.234 -2.234 1.551) 3.519 2.820 ( -3.818 -3.818 -0.874) 5.469 3.287 ( 1.563 1.563 1.275) 2.552 3.328 ( -1.990 -1.990 -0.267) 2.827 3.433 ( 3.267 3.267 -0.807) 4.690 3.436 ( 2.688 2.688 -1.348) 4.033 3.614 ( 2.576 2.576 -1.394) 3.901 3.690 ( -2.791 -2.791 -4.062) 5.664 3.804 ( -0.332 -0.332 1.063) 1.162 3.869 ( -5.044 -5.044 -0.800) 7.178 4.118 ( 4.929 4.929 -2.435) 7.385 4.233 ( -2.954 -2.954 1.246) 4.359 4.271 ( 2.491 2.491 -10.482) 11.058 4.380 ( -5.006 -5.006 -5.169) 8.766 4.454 ( 2.657 2.657 -3.007) 4.813 4.480 ( 0.791 0.791 -3.439) 3.616 4.594 ( -1.714 -1.714 -7.274) 7.667 4.608 ( -2.999 -2.999 -7.395) 8.525 4.670 ( 1.856 1.856 -2.972) 3.965 4.716 ( -2.206 -2.206 -0.081) 3.121 5.115 ( 0.509 0.509 1.898) 2.030 5.188 ( -5.800 -5.800 2.424) 8.553 5.269 ( 4.955 4.955 -3.176) 7.694 5.333 ( 0.609 0.609 -1.773) 1.971 5.487 ( -3.249 -3.249 -5.834) 7.426 5.495 ( -2.502 -2.502 -5.064) 6.178 5.858 ( 8.883 8.883 3.517) 13.045 5.978 ( 0.364 0.364 8.577) 8.593 6.190 ( 0.749 0.749 -1.887) 2.164 6.287 ( -5.605 -5.605 -0.059) 7.926 6.891 ( 2.360 2.360 -12.057) 12.510 6.899 ( 1.448 1.448 -11.253) 11.438 7.291 ( 3.954 3.954 -8.277) 9.989 7.362 ( -2.671 -2.671 -8.375) 9.187 10.521 ( 1.687 1.687 11.144) 11.396 10.548 ( -0.529 -0.529 10.792) 10.817 10.630 ( 0.192 0.192 10.926) 10.930 10.651 ( -1.409 -1.409 10.433) 10.622 12.062 ( 0.204 0.204 8.309) 8.314 12.063 ( 0.155 0.155 7.679) 7.682 12.177 ( 1.204 1.204 8.818) 8.981 12.210 ( -1.773 -1.773 8.634) 8.991 14.604 ( 0.547 0.547 -3.183) 3.276 14.619 ( -0.803 -0.803 -3.151) 3.349 14.753 ( 0.224 0.224 -3.890) 3.903 14.754 ( 0.070 0.070 -3.793) 3.794 18.265 ( 0.895 0.895 -0.580) 1.392 18.280 ( -0.436 -0.436 -0.456) 0.766 18.342 ( 0.024 0.024 -0.409) 0.411 18.349 ( -0.512 -0.512 -0.339) 0.799 18.454 ( 0.771 0.771 0.859) 1.388 18.468 ( -0.354 -0.354 0.890) 1.021 18.517 ( -0.007 -0.007 0.529) 0.529 18.525 ( -0.572 -0.572 0.527) 0.965 19.431 ( 0.043 0.043 0.922) 0.924 19.433 ( -0.089 -0.089 0.935) 0.943 19.440 ( 0.131 0.131 0.859) 0.878 19.445 ( -0.297 -0.297 0.999) 1.083 22.198 ( 0.142 0.142 16.194) 16.196 22.204 ( -0.348 -0.348 16.172) 16.180 22.397 ( 0.567 0.567 14.943) 14.965 22.418 ( -1.403 -1.403 15.146) 15.275 22.546 ( 0.491 0.491 0.225) 0.730 22.555 ( -0.263 -0.263 0.201) 0.423 22.609 ( -0.083 -0.083 0.162) 0.199 22.610 ( -0.141 -0.141 0.021) 0.200 22.745 ( 0.231 0.231 -0.310) 0.450 22.748 ( -0.044 -0.044 -0.108) 0.124 22.779 ( 0.117 0.117 -0.350) 0.387 22.782 ( -0.199 -0.199 -0.233) 0.365 24.054 ( 0.842 0.842 -6.238) 6.351 24.062 ( 0.225 0.225 -6.700) 6.708 24.332 ( 1.544 1.544 -9.353) 9.605 24.377 ( -2.376 -2.376 -9.725) 10.290 24.690 ( 0.311 0.311 -0.074) 0.446 24.697 ( -0.179 -0.179 -0.207) 0.327 24.714 ( -0.059 -0.059 -0.229) 0.244 24.719 ( -0.467 -0.467 -0.282) 0.719 25.444 ( 1.314 1.314 -1.513) 2.396 25.463 ( -0.396 -0.396 -1.840) 1.923 25.664 ( 0.571 0.571 -6.217) 6.270 25.675 ( -0.499 -0.499 -5.997) 6.038 29.771 ( 0.011 0.011 2.800) 2.800 29.772 ( -0.005 -0.005 2.815) 2.815 29.794 ( 0.043 0.043 3.089) 3.090 29.795 ( -0.044 -0.044 3.109) 3.110 30.232 ( 0.086 0.086 -2.378) 2.381 30.233 ( 0.003 0.003 -2.391) 2.391 30.335 ( 0.326 0.326 -2.200) 2.248 30.343 ( -0.409 -0.409 -2.243) 2.316 46.593 ( 3.377 3.377 1.531) 5.015 46.635 ( 0.054 0.054 2.093) 2.094 47.489 ( 4.172 4.172 -12.467) 13.793 47.644 ( -9.719 -9.719 -11.543) 17.949 55.765 ( 0.717 0.717 -7.259) 7.329 55.785 ( -1.010 -1.010 -7.140) 7.281 56.064 ( 2.920 2.920 1.776) 4.495 56.084 ( 0.757 0.757 1.799) 2.093 56.134 ( 0.034 0.034 -5.526) 5.526 56.134 ( 0.316 0.316 -5.509) 5.527 56.619 ( 0.146 0.146 10.253) 10.255 56.620 ( 0.022 0.022 10.663) 10.663 56.700 ( 2.151 2.151 -7.336) 7.941 56.759 ( -3.225 -3.225 -7.913) 9.133 57.542 ( 0.871 0.871 10.373) 10.446 57.559 ( -0.614 -0.614 10.444) 10.480 59.916 ( 0.350 0.350 -6.787) 6.805 59.918 ( 0.171 0.171 -6.277) 6.282 59.976 ( 0.871 0.871 -4.736) 4.894 59.991 ( -0.434 -0.434 -5.130) 5.167 62.325 ( 0.794 0.794 20.814) 20.844 62.338 ( 0.054 0.054 21.032) 21.033 62.370 ( 0.471 0.471 22.348) 22.358 62.401 ( -1.979 -1.979 22.457) 22.631 65.064 ( 0.140 0.140 -7.205) 7.208 65.067 ( -0.135 -0.135 -6.986) 6.989 65.086 ( 0.134 0.134 -5.605) 5.608 65.089 ( -0.154 -0.154 -5.444) 5.448 ======================= Grid point 75 (19/36) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 0.000 0.000 23.284) 23.284 1.249 ( 0.000 0.000 23.284) 23.284 1.413 ( 0.000 0.000 13.845) 13.845 2.038 ( 0.000 0.000 22.296) 22.296 2.077 ( 0.000 0.000 6.227) 6.227 2.143 ( -0.000 -0.000 -7.348) 7.348 2.314 ( -0.000 0.000 13.665) 13.665 2.314 ( 0.000 0.000 13.665) 13.665 2.428 ( 0.000 0.000 12.373) 12.373 2.588 ( 0.000 0.000 0.610) 0.610 2.588 ( 0.000 0.000 0.610) 0.610 2.715 ( 0.000 0.000 -3.176) 3.176 2.715 ( 0.000 0.000 -3.176) 3.176 3.079 ( 0.000 0.000 -6.492) 6.492 3.110 ( 0.000 0.000 8.385) 8.385 3.179 ( 0.000 0.000 -4.820) 4.820 3.179 ( 0.000 0.000 -4.820) 4.820 3.180 ( -0.000 0.000 -0.091) 0.091 3.304 ( -0.000 0.000 5.798) 5.798 3.365 ( 0.000 0.000 -8.719) 8.719 3.513 ( -0.000 0.000 -6.732) 6.732 3.513 ( 0.000 0.000 -6.732) 6.732 3.880 ( 0.000 0.000 -2.211) 2.211 3.880 ( 0.000 0.000 -2.211) 2.211 3.955 ( 0.000 0.000 1.851) 1.851 4.020 ( 0.000 0.000 -3.342) 3.342 4.175 ( 0.000 0.000 -1.793) 1.793 4.175 ( 0.000 -0.000 -1.793) 1.793 4.634 ( 0.000 0.000 -16.568) 16.568 4.646 ( 0.000 0.000 -4.989) 4.989 4.646 ( 0.000 0.000 -4.989) 4.989 4.704 ( -0.000 -0.000 -8.092) 8.092 4.712 ( -0.000 0.000 0.397) 0.397 4.729 ( 0.000 0.000 -11.686) 11.686 5.059 ( 0.000 0.000 5.323) 5.323 5.062 ( 0.000 0.000 0.243) 0.243 5.258 ( -0.000 -0.000 -6.524) 6.524 5.258 ( -0.000 0.000 -6.524) 6.524 5.290 ( -0.000 -0.000 -1.877) 1.877 5.311 ( 0.000 0.000 -3.535) 3.535 5.815 ( 0.000 0.000 1.109) 1.109 6.170 ( 0.000 -0.000 -3.977) 3.977 6.172 ( 0.000 0.000 6.894) 6.894 6.172 ( 0.000 0.000 6.894) 6.894 6.601 ( 0.000 0.000 -6.856) 6.856 6.601 ( 0.000 0.000 -6.856) 6.856 6.833 ( 0.000 -0.000 6.426) 6.426 7.463 ( 0.000 0.000 -9.156) 9.156 10.658 ( 0.000 -0.000 12.477) 12.477 10.825 ( 0.000 0.000 10.808) 10.808 10.825 ( -0.000 -0.000 10.808) 10.808 10.889 ( 0.000 0.000 7.524) 7.524 12.186 ( 0.000 0.000 6.625) 6.625 12.186 ( 0.000 0.000 6.625) 6.625 12.263 ( 0.000 0.000 10.367) 10.367 12.524 ( 0.000 0.000 2.999) 2.999 14.485 ( 0.000 0.000 -2.217) 2.217 14.654 ( 0.000 0.000 -4.300) 4.300 14.660 ( 0.000 0.000 -3.408) 3.408 14.660 ( -0.000 0.000 -3.408) 3.408 18.182 ( -0.000 0.000 -0.267) 0.267 18.315 ( -0.000 0.000 -1.026) 1.026 18.315 ( -0.000 0.000 -1.026) 1.026 18.341 ( 0.000 0.000 -2.701) 2.701 18.454 ( 0.000 0.000 2.906) 2.906 18.537 ( 0.000 0.000 1.494) 1.494 18.537 ( 0.000 -0.000 1.494) 1.494 18.547 ( 0.000 0.000 0.434) 0.434 19.442 ( 0.000 0.000 0.675) 0.675 19.442 ( 0.000 0.000 0.675) 0.675 19.459 ( -0.000 0.000 1.106) 1.106 19.515 ( 0.000 0.000 -0.049) 0.049 22.498 ( 0.000 0.000 15.418) 15.418 22.498 ( 0.000 0.000 15.418) 15.418 22.517 ( -0.000 -0.000 0.870) 0.870 22.584 ( 0.000 0.000 -0.336) 0.336 22.584 ( 0.000 0.000 -0.336) 0.336 22.610 ( 0.000 0.000 -0.136) 0.136 22.666 ( -0.000 0.000 15.165) 15.165 22.747 ( 0.000 0.000 -0.613) 0.613 22.751 ( -0.000 0.000 -0.015) 0.015 22.751 ( 0.000 0.000 -0.015) 0.015 22.763 ( 0.000 0.000 -0.880) 0.880 22.978 ( -0.000 0.000 6.530) 6.530 23.904 ( 0.000 0.000 -6.894) 6.894 23.904 ( -0.000 0.000 -6.894) 6.894 23.987 ( 0.000 0.000 -2.735) 2.735 24.326 ( -0.000 -0.000 -11.876) 11.876 24.688 ( -0.000 -0.000 0.296) 0.296 24.706 ( 0.000 0.000 -0.381) 0.381 24.706 ( 0.000 0.000 -0.381) 0.381 24.732 ( 0.000 0.000 -0.661) 0.661 25.348 ( -0.000 -0.000 0.958) 0.958 25.450 ( 0.000 0.000 -2.790) 2.790 25.450 ( 0.000 0.000 -2.790) 2.790 25.596 ( 0.000 0.000 -5.712) 5.712 29.830 ( 0.000 0.000 2.966) 2.966 29.830 ( 0.000 0.000 2.966) 2.966 29.842 ( -0.000 0.000 2.914) 2.914 29.857 ( 0.000 0.000 2.790) 2.790 30.183 ( 0.000 0.000 -2.679) 2.679 30.183 ( -0.000 -0.000 -2.679) 2.679 30.264 ( 0.000 0.000 -1.775) 1.775 30.329 ( 0.000 0.000 -2.811) 2.811 46.382 ( 0.000 -0.000 -1.947) 1.947 46.382 ( -0.000 0.000 -1.947) 1.947 46.858 ( -0.000 0.000 13.496) 13.496 48.110 ( 0.000 0.000 -16.188) 16.188 55.735 ( 0.000 0.000 -0.773) 0.773 55.735 ( 0.000 0.000 -0.773) 0.773 55.914 ( 0.000 0.000 -0.332) 0.332 55.963 ( 0.000 0.000 -1.251) 1.251 56.070 ( 0.000 0.000 -4.723) 4.723 56.070 ( 0.000 0.000 -4.723) 4.723 56.301 ( 0.000 0.000 1.894) 1.894 56.824 ( 0.000 0.000 10.005) 10.005 56.824 ( 0.000 0.000 10.005) 10.005 56.828 ( 0.000 0.000 -10.343) 10.343 57.705 ( -0.000 0.000 7.708) 7.708 57.854 ( 0.000 0.000 2.301) 2.301 59.791 ( 0.000 0.000 -3.945) 3.945 59.791 ( 0.000 0.000 -3.945) 3.945 59.855 ( 0.000 0.000 -2.472) 2.472 59.931 ( 0.000 0.000 -5.174) 5.174 62.742 ( -0.000 -0.000 23.425) 23.425 62.770 ( 0.000 0.000 22.977) 22.977 62.770 ( 0.000 0.000 22.977) 22.977 62.970 ( 0.000 0.000 16.728) 16.728 64.892 ( -0.000 -0.000 -9.590) 9.590 64.925 ( 0.000 0.000 -8.974) 8.974 64.925 ( 0.000 0.000 -8.974) 8.974 64.994 ( 0.000 0.000 -7.889) 7.889 ======================= Grid point 76 (20/36) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 5.912 0.000 21.575) 22.371 1.404 ( 12.249 0.000 18.102) 21.857 1.526 ( 8.826 0.000 12.761) 15.516 2.034 ( -0.053 0.000 16.815) 16.815 2.043 ( -3.503 0.000 6.760) 7.614 2.079 ( -3.105 0.000 -0.405) 3.131 2.320 ( -0.844 0.000 14.228) 14.253 2.364 ( -1.483 0.000 13.429) 13.511 2.371 ( 3.083 0.000 9.700) 10.178 2.559 ( -2.627 0.000 -0.107) 2.629 2.600 ( 0.206 0.000 0.859) 0.883 2.705 ( -1.011 0.000 -2.908) 3.079 2.750 ( 1.646 0.000 -1.823) 2.456 2.971 ( -6.880 0.000 3.978) 7.947 3.087 ( -6.646 0.000 0.066) 6.647 3.099 ( 1.621 0.000 -4.580) 4.859 3.165 ( -4.290 0.000 -1.056) 4.418 3.210 ( 0.335 0.000 -4.640) 4.652 3.220 ( -6.198 0.000 0.052) 6.198 3.336 ( -1.690 0.000 -8.199) 8.372 3.558 ( 2.741 0.000 -0.351) 2.763 3.642 ( 8.617 0.000 -5.082) 10.003 3.807 ( -1.374 0.000 -5.178) 5.357 3.815 ( -3.231 0.000 -2.686) 4.202 4.066 ( 0.129 0.000 -2.970) 2.972 4.095 ( 5.711 0.000 1.025) 5.802 4.130 ( -2.668 0.000 -5.557) 6.164 4.136 ( -0.718 0.000 -5.794) 5.839 4.491 ( -4.379 0.000 -3.130) 5.383 4.493 ( -7.443 0.000 -8.460) 11.268 4.732 ( -2.381 0.000 -6.324) 6.757 4.733 ( 3.955 0.000 -7.072) 8.102 4.775 ( 4.491 0.000 -6.507) 7.906 4.775 ( 2.999 0.000 3.066) 4.289 5.039 ( -1.329 0.000 -1.293) 1.854 5.097 ( 3.609 0.000 -0.711) 3.679 5.174 ( -2.800 0.000 0.531) 2.850 5.269 ( -3.752 0.000 -4.232) 5.656 5.339 ( 6.493 0.000 -3.580) 7.414 5.479 ( 6.066 0.000 -8.364) 10.332 5.702 ( -7.385 0.000 1.396) 7.516 6.098 ( -3.661 0.000 6.087) 7.103 6.143 ( -1.305 0.000 -7.084) 7.204 6.269 ( 6.374 0.000 6.497) 9.102 6.610 ( 0.801 0.000 -7.487) 7.529 6.755 ( 10.166 0.000 -5.502) 11.559 6.809 ( -0.887 0.000 4.679) 4.762 7.409 ( -5.063 0.000 -9.031) 10.354 10.672 ( 1.306 0.000 12.278) 12.347 10.806 ( -1.654 0.000 10.743) 10.870 10.834 ( 0.799 0.000 10.565) 10.595 10.887 ( -0.233 0.000 8.076) 8.079 12.195 ( 0.853 0.000 6.990) 7.041 12.214 ( 2.604 0.000 6.590) 7.085 12.258 ( -0.519 0.000 10.009) 10.022 12.484 ( -3.536 0.000 3.986) 5.328 14.497 ( 1.099 0.000 -2.442) 2.678 14.621 ( -2.001 0.000 -3.774) 4.272 14.663 ( 0.288 0.000 -3.503) 3.515 14.676 ( 0.449 0.000 -3.850) 3.876 18.195 ( 1.146 0.000 -0.285) 1.181 18.303 ( -1.132 0.000 -0.968) 1.490 18.320 ( 0.384 0.000 -1.066) 1.133 18.342 ( 0.032 0.000 -2.350) 2.350 18.457 ( 0.335 0.000 2.658) 2.679 18.521 ( -1.129 0.000 1.390) 1.790 18.540 ( 0.206 0.000 1.244) 1.261 18.552 ( 0.138 0.000 0.577) 0.593 19.443 ( 0.123 0.000 0.697) 0.708 19.445 ( 0.265 0.000 0.690) 0.739 19.458 ( -0.130 0.000 1.065) 1.073 19.501 ( -1.123 0.000 0.303) 1.163 22.504 ( 0.467 0.000 14.661) 14.669 22.506 ( 0.607 0.000 15.305) 15.317 22.524 ( 0.626 0.000 1.327) 1.467 22.577 ( -0.601 0.000 0.031) 0.602 22.589 ( 0.510 0.000 -0.048) 0.512 22.611 ( 0.168 0.000 -0.188) 0.252 22.665 ( -0.098 0.000 13.997) 13.997 22.737 ( -0.245 0.000 0.000) 0.245 22.738 ( -0.864 0.000 -0.655) 1.085 22.766 ( 0.810 0.000 0.251) 0.848 22.771 ( 0.333 0.000 0.069) 0.340 22.908 ( -5.500 0.000 9.039) 10.580 23.906 ( 0.177 0.000 -6.614) 6.616 23.924 ( 0.620 0.000 -6.466) 6.496 24.018 ( 3.527 0.000 -5.056) 6.165 24.299 ( -2.443 0.000 -11.561) 11.816 24.686 ( -0.096 0.000 0.247) 0.265 24.701 ( -0.383 0.000 -0.283) 0.477 24.710 ( 0.324 0.000 -0.408) 0.521 24.730 ( -0.179 0.000 -0.629) 0.654 25.359 ( 1.019 0.000 0.561) 1.163 25.441 ( -0.762 0.000 -2.457) 2.573 25.480 ( 2.479 0.000 -3.915) 4.634 25.590 ( -0.527 0.000 -5.712) 5.737 29.829 ( -0.057 0.000 2.960) 2.960 29.830 ( -0.033 0.000 2.959) 2.959 29.846 ( 0.318 0.000 2.907) 2.924 29.857 ( -0.007 0.000 2.829) 2.829 30.182 ( -0.049 0.000 -2.662) 2.662 30.182 ( -0.039 0.000 -2.648) 2.648 30.269 ( 0.498 0.000 -1.902) 1.967 30.322 ( -0.594 0.000 -2.746) 2.809 46.426 ( 4.064 0.000 -0.606) 4.109 46.598 ( 16.251 0.000 -6.076) 17.350 46.839 ( 0.222 0.000 10.591) 10.593 47.981 ( -11.797 0.000 -15.949) 19.838 55.735 ( 0.167 0.000 -1.105) 1.118 55.758 ( 1.724 0.000 -1.565) 2.328 55.902 ( -0.854 0.000 -0.205) 0.878 55.968 ( 0.111 0.000 -0.984) 0.991 56.057 ( -0.817 0.000 -3.864) 3.950 56.069 ( -0.130 0.000 -4.170) 4.172 56.372 ( 6.039 0.000 -0.665) 6.076 56.792 ( -3.364 0.000 -9.299) 9.888 56.827 ( 0.193 0.000 9.950) 9.952 56.827 ( 0.174 0.000 9.411) 9.413 57.697 ( -0.572 0.000 7.993) 8.013 57.811 ( -3.538 0.000 4.166) 5.465 59.800 ( 0.732 0.000 -3.844) 3.913 59.808 ( 1.432 0.000 -4.156) 4.396 59.851 ( -0.353 0.000 -2.585) 2.609 59.919 ( -1.077 0.000 -4.982) 5.097 62.738 ( -0.139 0.000 23.231) 23.231 62.763 ( -0.556 0.000 22.962) 22.969 62.788 ( 1.549 0.000 22.919) 22.971 62.943 ( -2.283 0.000 18.251) 18.394 64.889 ( -0.100 0.000 -9.769) 9.770 64.920 ( -0.492 0.000 -9.242) 9.255 64.934 ( 0.700 0.000 -8.714) 8.742 64.983 ( -0.825 0.000 -7.802) 7.845 ======================= Grid point 77 (21/36) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 7.512 0.000 17.390) 18.944 1.587 ( -1.075 0.000 12.730) 12.775 1.709 ( 10.687 0.000 13.039) 16.859 1.915 ( -8.003 0.000 8.517) 11.687 2.076 ( 2.054 0.000 6.086) 6.424 2.088 ( 3.586 0.000 8.542) 9.264 2.297 ( 2.351 0.000 9.938) 10.213 2.399 ( -1.540 0.000 9.703) 9.824 2.417 ( 3.602 0.000 12.005) 12.534 2.479 ( -4.292 0.000 -0.300) 4.303 2.607 ( 1.531 0.000 3.090) 3.448 2.663 ( -2.903 0.000 0.775) 3.005 2.746 ( 0.138 0.000 2.609) 2.613 2.879 ( -11.090 0.000 3.456) 11.616 2.944 ( 4.265 0.000 -1.115) 4.408 3.076 ( -7.020 0.000 -0.897) 7.077 3.084 ( -1.703 0.000 -2.354) 2.906 3.098 ( -1.758 0.000 -4.164) 4.520 3.245 ( 3.012 0.000 -5.611) 6.368 3.300 ( -1.920 0.000 -7.233) 7.483 3.619 ( 3.119 0.000 1.688) 3.546 3.687 ( -2.973 0.000 0.128) 2.975 3.824 ( 1.835 0.000 -7.484) 7.706 3.841 ( 1.829 0.000 -6.980) 7.216 4.024 ( 0.676 0.000 -5.760) 5.800 4.063 ( -2.170 0.000 -6.993) 7.322 4.133 ( 1.824 0.000 -9.143) 9.324 4.205 ( -2.007 0.000 -7.766) 8.021 4.437 ( 5.008 0.000 -3.228) 5.958 4.517 ( 4.952 0.000 2.719) 5.649 4.610 ( -8.378 0.000 -2.586) 8.768 4.648 ( -6.539 0.000 5.899) 8.807 4.901 ( 6.372 0.000 -3.628) 7.332 4.952 ( 7.096 0.000 -4.096) 8.193 5.016 ( 0.351 0.000 -2.420) 2.445 5.132 ( -1.905 0.000 -1.663) 2.529 5.149 ( 0.122 0.000 -3.205) 3.208 5.161 ( -5.428 0.000 -4.003) 6.745 5.445 ( 1.387 0.000 -3.422) 3.692 5.485 ( -2.701 0.000 -3.815) 4.674 5.667 ( 7.303 0.000 3.371) 8.044 5.899 ( -11.895 0.000 4.472) 12.708 6.271 ( 7.658 0.000 -9.245) 12.005 6.356 ( 0.457 0.000 0.258) 0.525 6.644 ( 2.806 0.000 -3.701) 4.645 6.725 ( -4.207 0.000 3.831) 5.690 7.025 ( 11.971 0.000 -7.663) 14.213 7.254 ( -9.299 0.000 -8.534) 12.622 10.711 ( 2.216 0.000 11.743) 11.950 10.761 ( -2.391 0.000 11.096) 11.350 10.855 ( 1.115 0.000 9.904) 9.966 10.876 ( -0.812 0.000 9.005) 9.042 12.218 ( 1.172 0.000 7.959) 8.045 12.241 ( -0.964 0.000 9.151) 9.202 12.290 ( 4.358 0.000 6.260) 7.628 12.391 ( -4.848 0.000 5.478) 7.315 14.529 ( 1.937 0.000 -2.965) 3.542 14.575 ( -2.257 0.000 -3.463) 4.133 14.671 ( 0.402 0.000 -3.690) 3.712 14.678 ( -0.184 0.000 -3.830) 3.835 18.228 ( 1.889 0.000 -0.383) 1.927 18.270 ( -1.897 0.000 -0.644) 2.003 18.330 ( 0.526 0.000 -1.263) 1.368 18.339 ( -0.294 0.000 -1.736) 1.761 18.471 ( 0.922 0.000 2.084) 2.279 18.495 ( -1.276 0.000 1.624) 2.066 18.545 ( 0.315 0.000 0.808) 0.867 18.551 ( -0.210 0.000 0.578) 0.615 19.447 ( 0.203 0.000 0.757) 0.784 19.450 ( 0.007 0.000 0.758) 0.758 19.458 ( 0.438 0.000 0.919) 1.018 19.476 ( -1.116 0.000 0.722) 1.329 22.514 ( 0.395 0.000 13.979) 13.985 22.517 ( 0.237 0.000 14.514) 14.516 22.541 ( 0.914 0.000 1.171) 1.485 22.560 ( -0.886 0.000 0.482) 1.009 22.604 ( 0.807 0.000 0.906) 1.214 22.616 ( -0.062 0.000 0.557) 0.561 22.672 ( 1.225 0.000 9.833) 9.909 22.713 ( -1.788 0.000 1.183) 2.144 22.740 ( 0.616 0.000 2.751) 2.819 22.765 ( -1.246 0.000 4.088) 4.274 22.782 ( 0.656 0.000 0.856) 1.079 22.806 ( -2.677 0.000 6.341) 6.883 23.912 ( 0.377 0.000 -5.961) 5.972 23.922 ( -0.477 0.000 -5.504) 5.524 24.120 ( 5.320 0.000 -8.803) 10.285 24.226 ( -4.384 0.000 -10.610) 11.480 24.686 ( 0.134 0.000 0.129) 0.186 24.692 ( -0.386 0.000 -0.071) 0.393 24.717 ( 0.370 0.000 -0.496) 0.619 24.725 ( -0.313 0.000 -0.572) 0.652 25.387 ( 1.504 0.000 -0.428) 1.563 25.418 ( -1.347 0.000 -1.571) 2.070 25.534 ( 2.271 0.000 -5.239) 5.710 25.572 ( -1.273 0.000 -5.659) 5.800 29.828 ( -0.001 0.000 2.950) 2.950 29.829 ( -0.036 0.000 2.949) 2.949 29.853 ( 0.245 0.000 2.918) 2.928 29.856 ( -0.087 0.000 2.898) 2.899 30.181 ( -0.028 0.000 -2.621) 2.622 30.181 ( -0.041 0.000 -2.603) 2.603 30.285 ( 0.931 0.000 -2.232) 2.418 30.305 ( -0.962 0.000 -2.550) 2.725 46.541 ( 6.295 0.000 2.803) 6.891 46.671 ( -5.181 0.000 6.060) 7.973 47.157 ( 23.616 0.000 -12.008) 26.493 47.634 ( -20.170 0.000 -15.303) 25.318 55.750 ( 1.289 0.000 -1.906) 2.301 55.776 ( -0.555 0.000 -2.611) 2.669 55.905 ( 1.630 0.000 -0.130) 1.636 55.950 ( -1.865 0.000 -0.911) 2.076 56.051 ( 0.323 0.000 -2.886) 2.904 56.062 ( -0.523 0.000 -3.209) 3.252 56.527 ( 7.935 0.000 -4.777) 9.262 56.685 ( -6.537 0.000 -7.949) 10.292 56.830 ( 0.115 0.000 9.854) 9.854 56.831 ( 0.089 0.000 9.769) 9.769 57.695 ( 0.714 0.000 8.152) 8.183 57.735 ( -3.009 0.000 6.977) 7.598 59.818 ( 0.923 0.000 -3.549) 3.667 59.834 ( -0.213 0.000 -3.620) 3.627 59.851 ( 1.458 0.000 -3.838) 4.106 59.888 ( -1.713 0.000 -4.650) 4.955 62.740 ( 0.277 0.000 23.040) 23.041 62.750 ( -0.620 0.000 22.958) 22.966 62.830 ( 2.376 0.000 22.284) 22.410 62.886 ( -2.812 0.000 20.731) 20.920 64.892 ( 0.401 0.000 -9.885) 9.894 64.905 ( -0.786 0.000 -9.687) 9.719 64.950 ( 0.762 0.000 -8.291) 8.326 64.966 ( -0.762 0.000 -7.915) 7.951 ======================= Grid point 81 (22/36) ======================= q-point: ( 0.20 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 7.512 7.512 18.571) 21.394 1.508 ( 9.327 9.327 16.369) 21.022 1.630 ( 8.436 8.436 10.704) 16.029 2.008 ( -1.761 -1.761 9.775) 10.087 2.039 ( -2.470 -2.470 1.280) 3.720 2.043 ( -0.503 -0.503 12.278) 12.298 2.291 ( -2.963 -2.963 12.419) 13.107 2.363 ( -0.635 -0.635 8.888) 8.933 2.363 ( -0.080 -0.080 14.821) 14.822 2.560 ( -3.190 -3.190 1.000) 4.621 2.587 ( 1.278 1.278 1.576) 2.397 2.635 ( -1.465 -1.465 -0.398) 2.109 2.788 ( 0.137 0.137 -4.619) 4.623 2.850 ( -6.316 -6.316 0.915) 8.979 3.058 ( -4.376 -4.376 1.364) 6.338 3.072 ( -8.084 -8.084 -2.788) 11.768 3.159 ( 4.740 4.740 -1.997) 6.994 3.215 ( 1.179 1.179 -2.610) 3.097 3.298 ( 2.279 2.279 1.419) 3.521 3.309 ( -0.745 -0.745 -8.941) 9.003 3.596 ( 0.471 0.471 1.511) 1.651 3.695 ( 6.248 6.248 -4.922) 10.114 3.717 ( -2.244 -2.244 -5.584) 6.423 3.899 ( 0.156 0.156 -2.041) 2.053 3.988 ( -0.085 -0.085 -7.065) 7.066 4.012 ( -4.808 -4.808 -6.058) 9.106 4.217 ( 2.032 2.032 -4.705) 5.513 4.237 ( 6.098 6.098 0.027) 8.624 4.417 ( -4.796 -4.796 -2.391) 7.192 4.527 ( -2.949 -2.949 -10.151) 10.974 4.529 ( -2.072 -2.072 -6.259) 6.911 4.651 ( -4.105 -4.105 -6.764) 8.913 4.746 ( -5.163 -5.163 7.329) 10.346 4.884 ( 7.491 7.491 -6.494) 12.425 4.986 ( -8.257 -8.257 -1.440) 11.765 5.132 ( 3.046 3.046 4.516) 6.240 5.251 ( -0.913 -0.913 -6.069) 6.204 5.323 ( 11.142 11.142 -3.746) 16.196 5.393 ( 3.514 3.514 -2.741) 5.675 5.537 ( 0.741 0.741 -3.935) 4.072 5.582 ( -7.023 -7.023 0.377) 9.939 6.143 ( -0.922 -0.922 7.226) 7.342 6.143 ( 0.072 0.072 -8.588) 8.589 6.256 ( 3.967 3.967 3.438) 6.580 6.632 ( 1.201 1.201 -8.453) 8.622 6.769 ( -2.255 -2.255 4.272) 5.331 6.868 ( 8.086 8.086 -5.998) 12.912 7.366 ( -3.962 -3.962 -8.735) 10.378 10.685 ( 1.174 1.174 12.067) 12.181 10.798 ( -1.002 -1.002 10.479) 10.575 10.834 ( 0.337 0.337 10.693) 10.704 10.884 ( -0.377 -0.377 8.493) 8.509 12.195 ( 0.382 0.382 6.795) 6.816 12.245 ( 2.203 2.203 7.377) 8.008 12.252 ( -0.322 -0.322 9.269) 9.281 12.454 ( -2.593 -2.593 4.789) 6.032 14.506 ( 0.863 0.863 -2.620) 2.891 14.604 ( -1.415 -1.415 -3.667) 4.177 14.666 ( 0.222 0.222 -3.630) 3.643 14.679 ( 0.122 0.122 -3.881) 3.884 18.206 ( 1.020 1.020 -0.312) 1.476 18.296 ( -0.746 -0.746 -0.976) 1.437 18.322 ( 0.239 0.239 -0.957) 1.015 18.342 ( -0.021 -0.021 -2.097) 2.097 18.459 ( 0.258 0.258 2.447) 2.474 18.515 ( -0.710 -0.710 1.233) 1.590 18.536 ( -0.066 -0.066 1.249) 1.253 18.553 ( -0.087 -0.087 0.566) 0.580 19.444 ( 0.098 0.098 0.723) 0.736 19.447 ( 0.221 0.221 0.698) 0.765 19.456 ( -0.122 -0.122 1.029) 1.043 19.491 ( -0.847 -0.847 0.510) 1.302 22.503 ( 0.234 0.234 14.871) 14.875 22.516 ( 0.511 0.511 15.201) 15.218 22.529 ( 0.514 0.514 1.155) 1.365 22.573 ( -0.389 -0.389 0.031) 0.551 22.591 ( 0.301 0.301 0.312) 0.527 22.610 ( -0.042 -0.042 -0.352) 0.357 22.663 ( -0.110 -0.110 12.851) 12.852 22.727 ( -0.441 -0.441 0.181) 0.650 22.750 ( -0.042 -0.042 0.021) 0.064 22.756 ( 0.006 0.006 -0.005) 0.010 22.781 ( 0.455 0.455 1.055) 1.236 22.861 ( -3.658 -3.658 9.997) 11.256 23.913 ( 0.342 0.342 -6.870) 6.887 23.926 ( 0.046 0.046 -5.848) 5.848 24.049 ( 2.890 2.890 -6.394) 7.589 24.277 ( -2.067 -2.067 -11.198) 11.574 24.685 ( -0.036 -0.036 0.206) 0.212 24.701 ( -0.193 -0.193 -0.296) 0.403 24.708 ( 0.066 0.066 -0.323) 0.336 24.728 ( -0.231 -0.231 -0.574) 0.661 25.370 ( 0.972 0.972 0.179) 1.386 25.441 ( -0.357 -0.357 -2.409) 2.462 25.498 ( 1.643 1.643 -4.416) 4.990 25.585 ( -0.470 -0.470 -5.689) 5.727 29.828 ( -0.026 -0.026 2.950) 2.950 29.830 ( -0.014 -0.014 2.959) 2.959 29.849 ( 0.207 0.207 2.915) 2.930 29.857 ( -0.002 -0.002 2.866) 2.866 30.181 ( -0.033 -0.033 -2.615) 2.615 30.183 ( 0.002 0.002 -2.677) 2.677 30.273 ( 0.395 0.395 -2.004) 2.081 30.317 ( -0.501 -0.501 -2.693) 2.785 46.453 ( 3.227 3.227 -0.694) 4.617 46.789 ( 14.638 14.638 -8.911) 22.538 46.799 ( -2.543 -2.543 10.235) 10.848 47.869 ( -10.135 -10.135 -15.089) 20.811 55.676 ( -1.657 -1.657 -2.887) 3.718 55.817 ( -4.265 -4.265 -2.013) 6.358 55.865 ( 5.259 5.259 -0.295) 7.443 56.024 ( 1.746 1.746 -1.761) 3.033 56.057 ( 0.323 0.323 -1.630) 1.693 56.062 ( -0.246 -0.246 -4.022) 4.037 56.422 ( 4.363 4.363 -2.049) 6.502 56.758 ( -3.102 -3.102 -9.128) 10.127 56.825 ( 0.032 0.032 9.984) 9.984 56.830 ( 0.100 0.100 9.734) 9.735 57.696 ( 0.046 0.046 8.161) 8.161 57.786 ( -2.073 -2.073 5.354) 6.104 59.796 ( 0.194 0.194 -4.205) 4.214 59.830 ( 1.198 1.198 -3.999) 4.343 59.846 ( -0.201 -0.201 -2.842) 2.856 59.913 ( -0.535 -0.535 -4.739) 4.799 62.737 ( 0.046 0.046 23.082) 23.082 62.775 ( 0.048 0.048 23.005) 23.005 62.786 ( 0.680 0.680 22.810) 22.830 62.921 ( -1.898 -1.898 19.321) 19.506 64.888 ( -0.030 -0.030 -9.932) 9.932 64.921 ( -0.369 -0.369 -9.290) 9.305 64.934 ( 0.383 0.383 -8.690) 8.706 64.977 ( -0.538 -0.538 -7.771) 7.808 ======================= Grid point 82 (23/36) ======================= q-point: ( 0.40 0.20 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 7.743 9.748 14.851) 19.378 1.711 ( 0.092 10.131 10.357) 14.488 1.747 ( 7.538 4.004 12.775) 15.364 1.918 ( -6.168 0.837 7.886) 10.047 2.049 ( 2.414 -2.011 7.356) 7.999 2.082 ( 2.865 -1.418 8.512) 9.092 2.247 ( 1.593 -4.360 9.204) 10.308 2.336 ( -2.516 -4.142 8.053) 9.399 2.371 ( 1.522 -3.760 8.915) 9.794 2.450 ( -5.981 -6.472 3.609) 9.522 2.619 ( 1.757 -0.035 2.657) 3.186 2.653 ( 2.115 3.350 3.732) 5.443 2.760 ( -1.435 0.992 -0.561) 1.832 2.795 ( -3.101 -4.935 0.104) 5.830 2.874 ( -3.772 -4.051 -2.770) 6.189 2.949 ( -6.352 -6.066 0.172) 8.785 3.208 ( 0.097 6.132 -1.546) 6.324 3.224 ( -0.781 5.312 -3.785) 6.569 3.309 ( 2.892 5.325 -2.942) 6.736 3.345 ( 0.183 3.444 -3.020) 4.584 3.606 ( 1.582 -1.779 0.403) 2.415 3.658 ( -2.905 -1.657 -2.569) 4.217 3.822 ( 2.522 0.563 -3.799) 4.594 3.868 ( -2.529 0.912 -4.866) 5.559 3.966 ( 2.688 -2.979 -7.781) 8.755 4.012 ( -0.152 -1.078 -9.124) 9.188 4.245 ( 1.932 5.563 -6.737) 8.948 4.304 ( -0.415 6.012 -3.375) 6.907 4.375 ( 1.148 -3.161 -4.524) 5.637 4.479 ( 4.872 -4.034 -1.846) 6.589 4.514 ( -8.520 -5.608 -2.592) 10.525 4.609 ( -5.641 -7.789 0.816) 9.652 4.670 ( 6.669 -8.483 -3.589) 11.372 4.814 ( -6.961 -6.876 -1.349) 9.877 5.059 ( 7.885 5.236 -3.362) 10.044 5.181 ( -1.606 0.977 -1.758) 2.573 5.238 ( 1.593 3.409 1.678) 4.120 5.331 ( -5.258 5.319 1.303) 7.592 5.434 ( 0.303 -2.155 -4.257) 4.781 5.493 ( -3.969 -2.041 -4.388) 6.259 5.671 ( 13.135 5.842 1.291) 14.433 5.944 ( -12.003 5.963 2.478) 13.630 6.284 ( 6.956 -2.281 -3.002) 7.912 6.349 ( 1.621 0.311 0.429) 1.705 6.654 ( 1.175 1.088 -7.847) 8.009 6.702 ( -3.314 -1.761 -0.211) 3.759 7.065 ( 9.396 3.332 -6.903) 12.126 7.245 ( -7.311 -0.936 -7.904) 10.807 10.719 ( 1.972 0.791 11.502) 11.697 10.764 ( -2.034 0.146 10.812) 11.002 10.850 ( 1.002 -0.403 10.199) 10.256 10.871 ( -0.860 -0.531 9.336) 9.391 12.212 ( 1.070 -0.337 7.378) 7.463 12.235 ( -1.000 -0.566 8.572) 8.649 12.309 ( 3.404 1.453 7.010) 7.927 12.385 ( -3.625 -0.519 6.186) 7.189 14.532 ( 1.551 0.244 -3.036) 3.418 14.569 ( -1.809 -0.561 -3.426) 3.914 14.672 ( 0.322 0.072 -3.807) 3.821 14.678 ( -0.193 -0.030 -3.898) 3.902 18.235 ( 1.647 0.650 -0.433) 1.823 18.271 ( -1.546 0.043 -0.713) 1.703 18.330 ( 0.462 -0.023 -1.053) 1.150 18.339 ( -0.307 -0.082 -1.517) 1.550 18.471 ( 0.849 0.096 1.895) 2.078 18.493 ( -1.156 -0.133 1.414) 1.831 18.540 ( 0.335 -0.444 0.892) 1.051 18.548 ( -0.360 -0.358 0.617) 0.799 19.447 ( 0.183 0.048 0.779) 0.801 19.451 ( -0.090 0.064 0.801) 0.808 19.457 ( 0.424 -0.099 0.869) 0.972 19.471 ( -0.880 -0.371 0.759) 1.220 22.512 ( 0.527 -0.017 14.692) 14.701 22.521 ( -0.141 0.150 14.821) 14.823 22.544 ( 0.791 0.280 0.838) 1.186 22.561 ( -0.749 -0.006 0.435) 0.866 22.601 ( 0.603 -0.130 0.579) 0.846 22.611 ( -0.109 -0.356 0.086) 0.382 22.669 ( 1.012 -0.211 9.891) 9.944 22.706 ( -1.812 -0.694 3.498) 4.000 22.746 ( 0.191 0.303 1.902) 1.936 22.757 ( -0.532 -0.576 2.882) 2.987 22.788 ( 0.199 0.364 2.134) 2.174 22.798 ( -1.349 -0.461 5.359) 5.545 23.918 ( 0.241 0.476 -6.397) 6.420 23.924 ( -0.234 0.162 -5.788) 5.795 24.129 ( 4.243 0.804 -8.584) 9.610 24.215 ( -3.658 -0.973 -10.180) 10.861 24.687 ( 0.183 0.047 0.090) 0.209 24.693 ( -0.402 0.070 -0.106) 0.422 24.714 ( 0.339 -0.293 -0.384) 0.590 24.721 ( -0.349 -0.312 -0.478) 0.669 25.396 ( 1.378 0.781 -0.744) 1.749 25.424 ( -1.131 0.372 -1.754) 2.120 25.538 ( 1.823 0.358 -5.245) 5.564 25.569 ( -1.096 -0.244 -5.593) 5.705 29.828 ( 0.018 0.006 2.945) 2.945 29.829 ( -0.038 0.012 2.950) 2.950 29.853 ( 0.192 0.062 2.939) 2.946 29.856 ( -0.079 0.009 2.927) 2.928 30.181 ( 0.025 0.029 -2.611) 2.611 30.182 ( -0.051 0.052 -2.650) 2.651 30.285 ( 0.753 0.098 -2.264) 2.388 30.303 ( -0.803 -0.249 -2.527) 2.664 46.558 ( 6.125 1.850 1.754) 6.635 46.692 ( -6.067 1.120 5.645) 8.363 47.181 ( 19.565 2.492 -11.226) 22.694 47.575 ( -16.889 -5.289 -13.361) 22.175 55.675 ( 1.420 -3.416 -3.959) 5.419 55.730 ( -3.548 -4.148 -3.589) 6.533 55.970 ( 3.860 4.866 -1.253) 6.336 56.021 ( -1.205 2.072 -3.438) 4.191 56.059 ( 0.442 0.988 -1.658) 1.980 56.072 ( -0.173 2.130 -0.004) 2.137 56.538 ( 6.131 1.029 -4.840) 7.879 56.665 ( -5.497 -1.778 -7.478) 9.450 56.828 ( 0.171 -0.133 9.904) 9.906 56.831 ( -0.085 -0.083 9.829) 9.829 57.705 ( 0.946 0.871 8.185) 8.286 57.738 ( -2.078 0.218 7.271) 7.565 59.808 ( 0.817 -0.496 -4.222) 4.329 59.826 ( -0.833 -0.698 -3.812) 3.964 59.868 ( 1.504 1.240 -3.842) 4.308 59.896 ( -1.080 0.484 -4.276) 4.437 62.743 ( 0.561 0.418 22.948) 22.959 62.759 ( -0.887 0.792 22.920) 22.951 62.822 ( 2.179 -0.695 22.366) 22.483 62.872 ( -2.485 -1.229 21.157) 21.338 64.892 ( 0.433 0.016 -9.998) 10.007 64.906 ( -0.823 -0.053 -9.725) 9.759 64.948 ( 0.756 -0.084 -8.315) 8.350 64.964 ( -0.675 -0.220 -7.935) 7.967 ======================= Grid point 87 (24/36) ======================= q-point: ( 0.40 0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 9.795 9.795 10.296) 17.259 1.852 ( 6.501 6.501 10.186) 13.721 1.931 ( 3.466 3.466 7.638) 9.076 1.971 ( 0.400 0.400 9.011) 9.029 2.008 ( 1.109 1.109 7.017) 7.190 2.016 ( -1.102 -1.102 10.534) 10.648 2.135 ( -4.402 -4.402 10.111) 11.874 2.230 ( -7.778 -7.778 6.801) 12.933 2.302 ( -2.733 -2.733 4.729) 6.108 2.305 ( -1.797 -1.797 5.665) 6.209 2.629 ( 0.740 0.740 0.233) 1.072 2.707 ( -5.512 -5.512 -1.865) 8.015 2.729 ( 2.917 2.917 2.589) 4.870 2.770 ( -1.066 -1.066 -1.725) 2.291 2.800 ( 1.321 1.321 0.626) 1.970 2.856 ( -3.356 -3.356 3.011) 5.620 3.291 ( 1.652 1.652 -0.618) 2.416 3.292 ( 1.435 1.435 -1.778) 2.699 3.417 ( 3.008 3.008 -0.851) 4.338 3.422 ( 3.496 3.496 -0.775) 5.004 3.567 ( -0.586 -0.586 -3.137) 3.245 3.608 ( -3.232 -3.232 -4.224) 6.224 3.822 ( -0.436 -0.436 0.557) 0.831 3.843 ( -2.400 -2.400 -2.010) 3.945 3.986 ( 3.906 3.906 -9.339) 10.850 4.029 ( 1.035 1.035 -12.317) 12.404 4.229 ( -0.851 -0.851 -1.267) 1.747 4.340 ( -6.922 -6.922 -0.383) 9.797 4.404 ( 0.811 0.811 -5.442) 5.561 4.416 ( 1.022 1.022 -3.013) 3.341 4.435 ( -1.523 -1.523 -7.565) 7.866 4.454 ( -2.198 -2.198 -6.099) 6.846 4.621 ( 3.383 3.383 -2.023) 5.195 4.714 ( -4.167 -4.167 0.055) 5.893 5.160 ( 1.751 1.751 2.151) 3.280 5.217 ( 5.226 5.226 -2.141) 7.695 5.241 ( -5.907 -5.907 2.848) 8.826 5.317 ( 1.876 1.876 0.132) 2.657 5.384 ( -4.097 -4.097 -4.302) 7.216 5.422 ( -2.689 -2.689 -2.191) 4.389 5.898 ( 12.466 12.466 1.019) 17.658 6.134 ( 0.392 0.392 7.222) 7.243 6.147 ( 0.190 0.190 -2.762) 2.775 6.317 ( -5.138 -5.138 2.491) 7.682 6.678 ( 0.677 0.677 -10.980) 11.022 6.680 ( -0.037 -0.037 -8.791) 8.792 7.144 ( 3.735 3.735 -6.446) 8.334 7.211 ( -2.367 -2.367 -6.896) 7.665 10.741 ( 1.133 1.133 10.889) 11.007 10.761 ( -0.553 -0.553 10.439) 10.468 10.845 ( 0.154 0.154 10.590) 10.593 10.856 ( -0.729 -0.729 10.089) 10.141 12.210 ( 0.246 0.246 7.057) 7.066 12.221 ( -0.660 -0.660 7.552) 7.610 12.342 ( 1.483 1.483 7.662) 7.943 12.369 ( -1.035 -1.035 7.333) 7.477 14.540 ( 0.541 0.541 -3.196) 3.286 14.554 ( -0.725 -0.725 -3.337) 3.491 14.674 ( 0.117 0.117 -3.982) 3.986 14.677 ( -0.103 -0.103 -4.006) 4.009 18.253 ( 0.890 0.890 -0.604) 1.396 18.268 ( -0.417 -0.417 -0.783) 0.980 18.330 ( 0.110 0.110 -0.739) 0.755 18.335 ( -0.266 -0.266 -0.996) 1.065 18.477 ( 0.480 0.480 1.402) 1.558 18.488 ( -0.421 -0.421 1.117) 1.266 18.533 ( -0.064 -0.064 0.977) 0.981 18.538 ( -0.466 -0.466 0.776) 1.018 19.449 ( 0.119 0.119 0.840) 0.856 19.452 ( -0.075 -0.075 0.925) 0.931 19.456 ( 0.150 0.150 0.728) 0.758 19.463 ( -0.403 -0.403 0.780) 0.966 22.514 ( 0.207 0.207 15.273) 15.275 22.520 ( -0.221 -0.221 15.382) 15.385 22.551 ( 0.385 0.385 0.383) 0.666 22.558 ( -0.238 -0.238 0.261) 0.426 22.602 ( 0.168 0.168 0.029) 0.240 22.606 ( -0.132 -0.132 -0.437) 0.475 22.668 ( 0.260 0.260 9.931) 9.938 22.684 ( -1.162 -1.162 7.927) 8.095 22.748 ( -0.052 -0.052 0.103) 0.126 22.749 ( -0.137 -0.137 1.403) 1.416 22.793 ( 0.125 0.125 3.044) 3.049 22.794 ( 0.020 0.020 4.447) 4.447 23.927 ( 0.228 0.228 -6.841) 6.849 23.927 ( 0.137 0.137 -6.429) 6.432 24.154 ( 1.470 1.470 -8.534) 8.784 24.187 ( -1.566 -1.566 -9.231) 9.492 24.689 ( 0.183 0.183 -0.019) 0.259 24.693 ( -0.125 -0.125 -0.143) 0.227 24.709 ( -0.005 -0.005 -0.226) 0.226 24.714 ( -0.340 -0.340 -0.307) 0.571 25.415 ( 0.835 0.835 -1.382) 1.818 25.427 ( -0.209 -0.209 -1.813) 1.836 25.549 ( 0.612 0.612 -5.308) 5.379 25.561 ( -0.505 -0.505 -5.446) 5.492 29.829 ( 0.023 0.023 2.944) 2.944 29.829 ( -0.009 -0.009 2.948) 2.948 29.855 ( 0.072 0.072 2.972) 2.974 29.856 ( -0.034 -0.034 2.971) 2.971 30.182 ( 0.053 0.053 -2.649) 2.650 30.183 ( 0.002 0.002 -2.675) 2.675 30.289 ( 0.257 0.257 -2.349) 2.377 30.296 ( -0.352 -0.352 -2.454) 2.504 46.619 ( 3.577 3.577 1.142) 5.186 46.685 ( -2.021 -2.021 2.943) 4.102 47.274 ( 6.268 6.268 -9.235) 12.801 47.430 ( -7.786 -7.786 -9.966) 14.851 55.635 ( -0.333 -0.333 -5.819) 5.838 55.657 ( -2.344 -2.344 -5.643) 6.544 56.024 ( 0.506 0.506 -5.144) 5.193 56.029 ( -0.158 -0.158 -4.984) 4.989 56.106 ( 2.700 2.700 2.057) 4.337 56.125 ( 1.165 1.165 2.126) 2.689 56.570 ( 1.964 1.964 -5.297) 5.981 56.618 ( -2.430 -2.430 -6.337) 7.209 56.826 ( 0.021 0.021 9.949) 9.949 56.828 ( -0.127 -0.127 9.900) 9.902 57.726 ( 0.891 0.891 8.175) 8.272 57.739 ( -0.272 -0.272 7.851) 7.860 59.804 ( 0.129 0.129 -4.659) 4.662 59.812 ( -0.577 -0.577 -4.487) 4.560 59.891 ( 0.849 0.849 -3.824) 4.008 59.901 ( -0.071 -0.071 -3.967) 3.968 62.757 ( 0.848 0.848 22.802) 22.833 62.772 ( -0.099 -0.099 22.733) 22.733 62.814 ( 0.455 0.455 22.460) 22.469 62.840 ( -1.629 -1.629 21.964) 22.085 64.894 ( 0.251 0.251 -10.074) 10.080 64.901 ( -0.336 -0.336 -9.933) 9.944 64.950 ( 0.250 0.250 -8.226) 8.234 64.957 ( -0.368 -0.368 -8.056) 8.072 ======================= Grid point 100 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.000 0.000 10.940) 10.940 1.693 ( 0.000 0.000 21.987) 21.987 1.693 ( 0.000 0.000 21.987) 21.987 1.997 ( 0.000 0.000 -7.684) 7.684 2.214 ( 0.000 0.000 7.821) 7.821 2.345 ( 0.000 0.000 8.844) 8.844 2.445 ( 0.000 0.000 -3.814) 3.814 2.445 ( -0.000 -0.000 -3.814) 3.814 2.603 ( 0.000 0.000 1.819) 1.819 2.603 ( -0.000 -0.000 1.819) 1.819 2.637 ( 0.000 0.000 -2.819) 2.819 2.637 ( 0.000 0.000 -2.819) 2.819 2.647 ( 0.000 -0.000 9.133) 9.133 3.030 ( 0.000 0.000 2.688) 2.688 3.095 ( 0.000 0.000 -10.651) 10.651 3.112 ( 0.000 0.000 -1.150) 1.150 3.112 ( -0.000 -0.000 -1.150) 1.150 3.223 ( -0.000 0.000 -4.084) 4.084 3.285 ( 0.000 0.000 9.159) 9.159 3.381 ( -0.000 0.000 -5.990) 5.990 3.381 ( 0.000 0.000 -5.990) 5.990 3.422 ( 0.000 0.000 4.878) 4.878 3.857 ( -0.000 0.000 -0.727) 0.727 3.857 ( 0.000 0.000 -0.727) 0.727 3.981 ( -0.000 0.000 1.739) 1.739 3.989 ( 0.000 0.000 0.265) 0.265 4.149 ( 0.000 0.000 -0.926) 0.926 4.149 ( 0.000 0.000 -0.926) 0.926 4.340 ( -0.000 0.000 -12.501) 12.501 4.457 ( 0.000 0.000 -14.738) 14.738 4.581 ( 0.000 0.000 -3.808) 3.808 4.585 ( 0.000 0.000 -1.421) 1.421 4.585 ( -0.000 0.000 -1.421) 1.421 4.649 ( -0.000 -0.000 -5.070) 5.070 5.123 ( 0.000 0.000 4.550) 4.550 5.144 ( -0.000 0.000 -4.710) 4.710 5.144 ( 0.000 0.000 -4.710) 4.710 5.158 ( -0.000 0.000 4.596) 4.596 5.258 ( 0.000 0.000 -2.001) 2.001 5.270 ( 0.000 0.000 -1.554) 1.554 5.869 ( 0.000 0.000 4.156) 4.156 6.075 ( 0.000 0.000 -5.539) 5.539 6.293 ( 0.000 0.000 5.530) 5.530 6.293 ( 0.000 0.000 5.530) 5.530 6.484 ( 0.000 0.000 -5.283) 5.283 6.484 ( 0.000 0.000 -5.283) 5.283 6.968 ( -0.000 -0.000 7.425) 7.425 7.286 ( 0.000 0.000 -8.973) 8.973 10.872 ( 0.000 0.000 9.091) 9.091 10.996 ( -0.000 -0.000 3.028) 3.028 10.998 ( -0.000 0.000 6.554) 6.554 10.998 ( 0.000 0.000 6.554) 6.554 12.290 ( 0.000 0.000 3.882) 3.882 12.290 ( 0.000 0.000 3.882) 3.882 12.438 ( 0.000 0.000 7.327) 7.327 12.562 ( -0.000 0.000 0.647) 0.647 14.464 ( 0.000 0.000 0.227) 0.227 14.568 ( -0.000 -0.000 -4.376) 4.376 14.604 ( 0.000 0.000 -2.176) 2.176 14.604 ( 0.000 -0.000 -2.176) 2.176 18.191 ( 0.000 0.000 1.229) 1.229 18.284 ( 0.000 -0.000 -3.039) 3.039 18.298 ( 0.000 -0.000 -0.681) 0.681 18.298 ( 0.000 0.000 -0.681) 0.681 18.505 ( -0.000 -0.000 2.212) 2.212 18.550 ( 0.000 0.000 -0.192) 0.192 18.562 ( 0.000 0.000 0.930) 0.930 18.562 ( 0.000 0.000 0.930) 0.930 19.453 ( -0.000 -0.000 0.404) 0.404 19.453 ( 0.000 0.000 0.404) 0.404 19.481 ( 0.000 0.000 1.050) 1.050 19.511 ( -0.000 -0.000 -0.415) 0.415 22.540 ( -0.000 0.000 1.471) 1.471 22.577 ( 0.000 0.000 -0.226) 0.226 22.577 ( -0.000 0.000 -0.226) 0.226 22.598 ( 0.000 0.000 -1.086) 1.086 22.735 ( 0.000 0.000 4.547) 4.547 22.735 ( 0.000 0.000 4.547) 4.547 22.736 ( 0.000 0.000 -0.305) 0.305 22.746 ( -0.000 -0.000 -0.761) 0.761 22.763 ( 0.000 0.000 4.853) 4.853 22.763 ( 0.000 0.000 4.853) 4.853 22.925 ( 0.000 0.000 10.822) 10.822 23.074 ( -0.000 -0.000 2.816) 2.816 23.791 ( 0.000 0.000 -4.399) 4.399 23.791 ( -0.000 -0.000 -4.399) 4.399 23.956 ( 0.000 0.000 -0.186) 0.186 24.120 ( -0.000 -0.000 -8.908) 8.908 24.695 ( 0.000 -0.000 0.461) 0.461 24.700 ( 0.000 0.000 -0.198) 0.198 24.700 ( 0.000 0.000 -0.198) 0.198 24.719 ( 0.000 0.000 -0.695) 0.695 25.374 ( 0.000 0.000 1.775) 1.775 25.405 ( -0.000 0.000 -1.696) 1.696 25.405 ( 0.000 -0.000 -1.696) 1.696 25.494 ( 0.000 0.000 -4.612) 4.612 29.881 ( -0.000 -0.000 2.071) 2.071 29.881 ( 0.000 0.000 2.071) 2.071 29.892 ( 0.000 0.000 2.047) 2.047 29.901 ( 0.000 0.000 1.607) 1.607 30.136 ( 0.000 0.000 -1.981) 1.981 30.136 ( 0.000 0.000 -1.981) 1.981 30.238 ( 0.000 0.000 -0.709) 0.709 30.277 ( 0.000 0.000 -2.440) 2.440 46.350 ( -0.000 0.000 -1.177) 1.177 46.350 ( -0.000 -0.000 -1.177) 1.177 47.142 ( 0.000 0.000 15.663) 15.663 47.786 ( 0.000 0.000 -17.002) 17.002 55.724 ( -0.000 0.000 -0.426) 0.426 55.724 ( 0.000 0.000 -0.426) 0.426 55.913 ( 0.000 0.000 0.214) 0.214 55.940 ( 0.000 0.000 -1.080) 1.080 55.997 ( -0.000 -0.000 -2.632) 2.632 55.997 ( -0.000 0.000 -2.632) 2.632 56.360 ( -0.000 0.000 4.327) 4.327 56.632 ( 0.000 0.000 -9.470) 9.470 56.983 ( 0.000 0.000 5.967) 5.967 56.983 ( 0.000 0.000 5.967) 5.967 57.831 ( -0.000 0.000 4.876) 4.876 57.890 ( -0.000 0.000 1.168) 1.168 59.733 ( -0.000 0.000 -2.000) 2.000 59.733 ( -0.000 0.000 -2.000) 2.000 59.819 ( 0.000 0.000 -1.089) 1.089 59.851 ( 0.000 0.000 -2.984) 2.984 63.161 ( 0.000 0.000 18.154) 18.154 63.170 ( 0.000 0.000 16.867) 16.867 63.170 ( -0.000 0.000 16.867) 16.867 63.260 ( 0.000 0.000 11.966) 11.966 64.720 ( 0.000 0.000 -6.991) 6.991 64.744 ( -0.000 0.000 -8.732) 8.732 64.744 ( -0.000 -0.000 -8.732) 8.732 64.816 ( -0.000 0.000 -9.716) 9.716 ======================= Grid point 101 (26/36) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 5.077 0.000 11.206) 12.303 1.726 ( 2.590 0.000 19.627) 19.797 1.792 ( 8.042 0.000 16.567) 18.415 2.011 ( 1.602 0.000 -4.224) 4.517 2.179 ( -2.230 0.000 5.535) 5.967 2.236 ( -5.832 0.000 3.540) 6.822 2.487 ( 2.200 0.000 -1.283) 2.546 2.546 ( -3.384 0.000 8.443) 9.096 2.568 ( 5.750 0.000 4.492) 7.296 2.578 ( -1.866 0.000 3.626) 4.078 2.606 ( -0.159 0.000 0.110) 0.193 2.634 ( 0.051 0.000 -3.207) 3.207 2.684 ( 1.653 0.000 -2.908) 3.345 3.031 ( -3.778 0.000 2.214) 4.378 3.065 ( -2.875 0.000 -9.687) 10.105 3.074 ( 0.091 0.000 1.855) 1.857 3.091 ( -1.779 0.000 -2.986) 3.475 3.157 ( -5.313 0.000 -1.064) 5.419 3.165 ( -5.257 0.000 1.463) 5.456 3.271 ( -6.505 0.000 -0.732) 6.546 3.540 ( 6.156 0.000 -0.273) 6.162 3.550 ( 9.565 0.000 -2.915) 10.000 3.755 ( -4.327 0.000 -0.868) 4.414 3.785 ( -3.685 0.000 -1.146) 3.859 4.002 ( -6.973 0.000 -7.009) 9.886 4.012 ( -6.963 0.000 -6.251) 9.357 4.034 ( -2.513 0.000 -0.538) 2.570 4.094 ( 3.610 0.000 -1.610) 3.953 4.373 ( -3.901 0.000 -2.795) 4.799 4.447 ( 0.351 0.000 -1.390) 1.434 4.561 ( 6.490 0.000 -8.395) 10.611 4.581 ( 11.210 0.000 -5.775) 12.610 4.726 ( 3.248 0.000 0.595) 3.302 4.841 ( 7.826 0.000 -0.934) 7.882 4.976 ( -7.504 0.000 -0.030) 7.504 5.132 ( -1.624 0.000 -4.571) 4.851 5.142 ( -0.820 0.000 2.183) 2.332 5.211 ( -4.473 0.000 -2.013) 4.905 5.303 ( 8.061 0.000 0.107) 8.062 5.372 ( 7.549 0.000 -3.138) 8.175 5.763 ( -6.429 0.000 4.565) 7.884 5.993 ( -3.447 0.000 -6.933) 7.743 6.231 ( -6.245 0.000 5.981) 8.647 6.372 ( 1.552 0.000 2.837) 3.234 6.496 ( 4.279 0.000 -3.089) 5.278 6.633 ( 11.320 0.000 -5.881) 12.756 6.935 ( -3.155 0.000 7.046) 7.720 7.236 ( -4.614 0.000 -8.623) 9.780 10.881 ( 0.840 0.000 8.758) 8.798 10.971 ( -1.403 0.000 5.393) 5.572 11.002 ( 0.382 0.000 6.340) 6.351 11.013 ( 0.486 0.000 4.790) 4.814 12.307 ( 1.469 0.000 4.205) 4.454 12.316 ( 2.376 0.000 3.704) 4.401 12.426 ( -1.117 0.000 6.999) 7.088 12.536 ( -2.418 0.000 1.163) 2.684 14.470 ( 0.569 0.000 -0.161) 0.591 14.550 ( -1.381 0.000 -3.496) 3.759 14.605 ( 0.089 0.000 -2.302) 2.304 14.609 ( 0.239 0.000 -2.695) 2.706 18.202 ( 0.962 0.000 1.054) 1.427 18.279 ( -0.538 0.000 -1.955) 2.028 18.300 ( 0.196 0.000 -1.312) 1.327 18.301 ( 0.218 0.000 -0.805) 0.834 18.505 ( 0.003 0.000 2.070) 2.070 18.540 ( -0.786 0.000 0.400) 0.882 18.560 ( -0.116 0.000 0.783) 0.792 18.562 ( -0.036 0.000 0.456) 0.457 19.454 ( 0.170 0.000 0.433) 0.465 19.455 ( 0.261 0.000 0.391) 0.470 19.478 ( -0.241 0.000 0.961) 0.991 19.502 ( -0.721 0.000 -0.204) 0.749 22.543 ( 0.341 0.000 1.291) 1.335 22.575 ( -0.237 0.000 -0.082) 0.251 22.582 ( 0.416 0.000 -0.227) 0.474 22.598 ( 0.026 0.000 -0.969) 0.970 22.710 ( -0.927 0.000 1.493) 1.757 22.725 ( -1.046 0.000 -0.627) 1.220 22.743 ( 0.457 0.000 5.678) 5.697 22.760 ( 0.435 0.000 0.242) 0.498 22.771 ( 1.060 0.000 7.432) 7.508 22.781 ( 0.976 0.000 3.627) 3.756 22.923 ( -0.062 0.000 10.221) 10.221 23.041 ( -2.835 0.000 4.175) 5.047 23.798 ( 0.623 0.000 -4.151) 4.198 23.809 ( 1.278 0.000 -4.734) 4.903 23.960 ( 0.611 0.000 -1.021) 1.190 24.101 ( -1.727 0.000 -8.450) 8.625 24.692 ( -0.193 0.000 0.275) 0.336 24.697 ( -0.247 0.000 -0.141) 0.284 24.704 ( 0.265 0.000 -0.113) 0.288 24.718 ( -0.095 0.000 -0.620) 0.628 25.378 ( 0.376 0.000 1.446) 1.494 25.403 ( -0.160 0.000 -1.345) 1.355 25.420 ( 1.273 0.000 -2.291) 2.621 25.490 ( -0.414 0.000 -4.497) 4.516 29.880 ( -0.060 0.000 2.074) 2.075 29.880 ( -0.044 0.000 2.058) 2.059 29.895 ( 0.263 0.000 1.989) 2.007 29.902 ( 0.076 0.000 1.668) 1.670 30.135 ( -0.009 0.000 -1.951) 1.951 30.136 ( 0.011 0.000 -1.957) 1.957 30.240 ( 0.215 0.000 -0.892) 0.917 30.272 ( -0.421 0.000 -2.313) 2.351 46.423 ( 6.582 0.000 0.380) 6.593 46.500 ( 12.880 0.000 -3.886) 13.453 47.083 ( -5.104 0.000 13.884) 14.793 47.670 ( -10.634 0.000 -15.979) 19.194 55.720 ( -0.184 0.000 -0.414) 0.453 55.732 ( 0.599 0.000 -1.030) 1.191 55.899 ( -0.833 0.000 -0.030) 0.833 55.939 ( -0.343 0.000 -1.950) 1.980 56.004 ( 0.681 0.000 -1.410) 1.566 56.010 ( 0.899 0.000 -1.827) 2.036 56.390 ( 2.715 0.000 2.601) 3.760 56.611 ( -1.961 0.000 -8.490) 8.714 56.985 ( 0.129 0.000 5.935) 5.937 56.985 ( 0.129 0.000 5.935) 5.937 57.824 ( -0.475 0.000 4.843) 4.867 57.871 ( -1.573 0.000 1.962) 2.514 59.743 ( 0.862 0.000 -1.948) 2.130 59.746 ( 1.141 0.000 -2.141) 2.427 59.814 ( -0.515 0.000 -1.165) 1.274 59.842 ( -0.820 0.000 -2.859) 2.974 63.153 ( -0.328 0.000 17.849) 17.852 63.165 ( -0.422 0.000 16.997) 17.002 63.186 ( 1.078 0.000 16.774) 16.808 63.253 ( -0.570 0.000 12.692) 12.705 64.707 ( -0.667 0.000 -8.034) 8.061 64.734 ( -0.879 0.000 -9.024) 9.067 64.761 ( 1.097 0.000 -8.023) 8.097 64.811 ( -0.421 0.000 -9.171) 9.181 ======================= Grid point 102 (27/36) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 2.567 0.000 13.757) 13.994 1.807 ( 1.742 0.000 9.387) 9.547 1.948 ( 5.297 0.000 11.392) 12.563 2.030 ( -1.753 0.000 4.211) 4.562 2.170 ( 2.103 0.000 2.534) 3.293 2.182 ( 1.111 0.000 1.033) 1.517 2.480 ( -2.269 0.000 8.807) 9.095 2.483 ( -1.940 0.000 2.495) 3.161 2.564 ( 0.811 0.000 5.678) 5.736 2.578 ( -0.365 0.000 4.215) 4.230 2.638 ( -0.069 0.000 -2.499) 2.500 2.639 ( -0.035 0.000 -0.475) 0.476 2.791 ( 5.902 0.000 1.252) 6.033 2.927 ( -8.569 0.000 0.020) 8.569 2.943 ( 0.633 0.000 1.307) 1.452 3.046 ( -3.609 0.000 -2.038) 4.144 3.076 ( -1.975 0.000 0.938) 2.187 3.077 ( -2.627 0.000 -1.785) 3.176 3.115 ( 0.794 0.000 -5.638) 5.694 3.138 ( -3.443 0.000 -5.548) 6.529 3.640 ( 2.896 0.000 0.973) 3.055 3.671 ( 0.227 0.000 -1.105) 1.128 3.726 ( 1.148 0.000 -2.459) 2.714 3.764 ( 0.012 0.000 -0.739) 0.739 3.874 ( -0.462 0.000 -9.460) 9.471 3.905 ( -1.694 0.000 -8.366) 8.536 3.992 ( -1.856 0.000 -4.568) 4.930 4.046 ( -5.857 0.000 -7.160) 9.250 4.429 ( 7.178 0.000 1.562) 7.346 4.533 ( 3.034 0.000 -2.249) 3.776 4.612 ( 0.022 0.000 3.705) 3.705 4.728 ( -3.995 0.000 1.345) 4.215 4.827 ( 6.785 0.000 -2.681) 7.296 4.885 ( 2.900 0.000 -3.560) 4.592 4.947 ( 3.333 0.000 -1.612) 3.703 5.070 ( -5.039 0.000 -4.005) 6.436 5.112 ( -1.854 0.000 -1.111) 2.162 5.113 ( -3.008 0.000 -1.429) 3.330 5.426 ( 2.333 0.000 0.638) 2.419 5.453 ( -0.127 0.000 -0.465) 0.482 5.746 ( 6.667 0.000 4.692) 8.152 5.938 ( -7.141 0.000 -1.971) 7.409 6.144 ( 3.470 0.000 -1.706) 3.867 6.290 ( -6.986 0.000 -5.459) 8.866 6.664 ( 8.778 0.000 4.149) 9.709 6.824 ( -4.770 0.000 4.823) 6.783 6.890 ( 9.536 0.000 -5.438) 10.977 7.096 ( -8.448 0.000 -7.705) 11.434 10.906 ( 1.423 0.000 7.838) 7.966 10.939 ( -1.598 0.000 6.588) 6.779 11.012 ( 0.419 0.000 5.788) 5.803 11.017 ( -0.058 0.000 5.154) 5.154 12.347 ( 2.171 0.000 5.053) 5.500 12.383 ( 3.197 0.000 3.349) 4.630 12.393 ( -1.368 0.000 5.940) 6.096 12.467 ( -3.795 0.000 2.238) 4.406 14.488 ( 1.161 0.000 -1.147) 1.632 14.518 ( -1.551 0.000 -2.342) 2.809 14.608 ( 0.157 0.000 -2.592) 2.596 14.611 ( -0.068 0.000 -2.823) 2.824 18.229 ( 1.471 0.000 0.498) 1.553 18.259 ( -1.263 0.000 -0.485) 1.353 18.305 ( 0.178 0.000 -1.572) 1.582 18.305 ( 0.136 0.000 -1.173) 1.181 18.508 ( 0.399 0.000 1.626) 1.674 18.522 ( -0.841 0.000 1.015) 1.318 18.558 ( -0.008 0.000 0.471) 0.471 18.560 ( -0.133 0.000 0.286) 0.315 19.459 ( 0.271 0.000 0.508) 0.575 19.462 ( 0.203 0.000 0.412) 0.459 19.474 ( 0.029 0.000 0.672) 0.673 19.485 ( -0.817 0.000 0.183) 0.838 22.554 ( 0.576 0.000 0.837) 1.016 22.566 ( -0.565 0.000 0.309) 0.644 22.592 ( 0.443 0.000 -0.269) 0.518 22.598 ( -0.108 0.000 -0.572) 0.582 22.699 ( -0.096 0.000 0.166) 0.192 22.706 ( -0.681 0.000 -0.576) 0.891 22.755 ( 0.514 0.000 4.684) 4.712 22.762 ( -0.135 0.000 3.014) 3.017 22.793 ( 0.717 0.000 5.974) 6.016 22.796 ( 0.379 0.000 4.761) 4.776 22.931 ( 1.082 0.000 8.623) 8.691 22.975 ( -2.894 0.000 6.574) 7.183 23.814 ( 0.801 0.000 -3.753) 3.838 23.825 ( 0.021 0.000 -4.102) 4.102 23.992 ( 2.421 0.000 -4.104) 4.765 24.051 ( -2.821 0.000 -6.966) 7.515 24.689 ( -0.008 0.000 0.156) 0.156 24.692 ( -0.206 0.000 0.002) 0.206 24.710 ( 0.247 0.000 -0.262) 0.360 24.715 ( -0.198 0.000 -0.454) 0.495 25.388 ( 0.507 0.000 0.595) 0.782 25.398 ( -0.375 0.000 -0.461) 0.594 25.450 ( 1.429 0.000 -3.357) 3.648 25.476 ( -0.934 0.000 -4.114) 4.218 29.879 ( -0.011 0.000 2.064) 2.064 29.879 ( -0.035 0.000 2.052) 2.052 29.901 ( 0.194 0.000 1.890) 1.900 29.903 ( -0.006 0.000 1.785) 1.785 30.135 ( 0.009 0.000 -1.901) 1.901 30.136 ( -0.015 0.000 -1.904) 1.904 30.248 ( 0.505 0.000 -1.384) 1.474 30.260 ( -0.623 0.000 -1.938) 2.035 46.605 ( 9.692 0.000 3.853) 10.430 46.748 ( 2.078 0.000 0.129) 2.082 47.031 ( 7.706 0.000 0.336) 7.714 47.363 ( -17.292 0.000 -12.679) 21.442 55.723 ( 0.549 0.000 -0.827) 0.993 55.736 ( -0.385 0.000 -1.491) 1.540 55.896 ( 0.730 0.000 -0.592) 0.940 55.921 ( -1.244 0.000 -1.845) 2.225 56.020 ( 0.593 0.000 -0.537) 0.800 56.024 ( 0.257 0.000 -0.880) 0.917 56.466 ( 4.082 0.000 -1.420) 4.322 56.551 ( -3.639 0.000 -5.618) 6.694 56.987 ( 0.068 0.000 5.887) 5.887 56.988 ( 0.069 0.000 5.887) 5.887 57.819 ( 0.191 0.000 4.491) 4.495 57.836 ( -1.382 0.000 3.458) 3.724 59.765 ( 1.072 0.000 -1.843) 2.132 59.773 ( 0.914 0.000 -2.310) 2.484 59.801 ( -0.278 0.000 -1.501) 1.527 59.819 ( -1.304 0.000 -2.521) 2.838 63.150 ( 0.064 0.000 17.664) 17.664 63.156 ( -0.401 0.000 17.332) 17.337 63.211 ( 1.229 0.000 15.769) 15.817 63.236 ( -1.036 0.000 14.259) 14.297 64.701 ( 0.136 0.000 -8.846) 8.847 64.713 ( -0.925 0.000 -9.221) 9.268 64.783 ( 0.909 0.000 -7.972) 8.023 64.799 ( -0.639 0.000 -8.376) 8.401 ======================= Grid point 106 (28/36) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 4.307 4.307 13.005) 14.360 1.822 ( 4.886 4.886 15.428) 16.905 1.837 ( 6.161 6.161 12.742) 15.437 2.024 ( 1.557 1.557 -1.485) 2.657 2.139 ( -2.114 -2.114 3.792) 4.829 2.233 ( -1.981 -1.981 6.555) 7.129 2.469 ( 0.452 0.452 -4.143) 4.192 2.499 ( -3.979 -3.979 8.958) 10.579 2.534 ( -3.135 -3.135 2.752) 5.218 2.550 ( -3.335 -3.335 1.777) 5.040 2.632 ( 0.787 0.787 0.316) 1.157 2.643 ( 3.423 3.423 2.177) 5.308 2.715 ( 2.016 2.016 -1.178) 3.085 2.890 ( -9.169 -9.169 2.849) 13.276 3.002 ( -7.968 -7.968 -2.958) 11.650 3.023 ( -2.418 -2.418 -7.118) 7.897 3.100 ( 1.582 1.582 -5.922) 6.331 3.180 ( 4.150 4.150 2.337) 6.317 3.193 ( 1.513 1.513 -1.365) 2.538 3.365 ( -0.235 -0.235 4.754) 4.766 3.589 ( 7.255 7.255 -4.678) 11.276 3.596 ( 2.569 2.569 -1.197) 3.825 3.642 ( -4.161 -4.161 -1.895) 6.182 3.832 ( -5.905 -5.905 -8.758) 12.101 3.905 ( 0.888 0.888 1.841) 2.229 3.907 ( -2.949 -2.949 -3.661) 5.550 4.115 ( -0.601 -0.601 -5.445) 5.511 4.245 ( 5.320 5.320 0.211) 7.527 4.323 ( -1.816 -1.816 -9.271) 9.620 4.374 ( -4.495 -4.495 -1.563) 6.546 4.436 ( 0.456 0.456 -3.160) 3.225 4.575 ( -3.510 -3.510 -1.340) 5.142 4.793 ( 10.964 10.964 -2.778) 15.753 4.865 ( -9.603 -9.603 3.704) 14.076 4.954 ( -4.776 -4.776 -0.241) 6.759 5.128 ( 0.648 0.648 -5.643) 5.717 5.211 ( 2.086 2.086 3.163) 4.325 5.233 ( 11.374 11.374 -4.676) 16.751 5.370 ( 3.457 3.457 -0.317) 4.899 5.465 ( 4.316 4.316 -2.388) 6.554 5.651 ( -6.692 -6.692 4.568) 10.508 5.976 ( -1.075 -1.075 -7.364) 7.520 6.270 ( -0.823 -0.823 5.840) 5.955 6.342 ( 0.913 0.913 3.934) 4.141 6.487 ( 0.118 0.118 -6.502) 6.504 6.746 ( 7.979 7.979 -4.145) 12.021 6.888 ( -3.813 -3.813 5.370) 7.610 7.206 ( -2.898 -2.898 -7.471) 8.521 10.889 ( 0.693 0.693 8.417) 8.473 10.960 ( -0.935 -0.935 5.532) 5.688 11.006 ( 0.286 0.286 6.502) 6.514 11.016 ( 0.207 0.207 4.897) 4.906 12.302 ( 0.486 0.486 3.977) 4.036 12.356 ( 2.643 2.643 4.051) 5.512 12.410 ( -1.382 -1.382 6.368) 6.662 12.520 ( -1.405 -1.405 1.933) 2.772 14.474 ( 0.404 0.404 -0.511) 0.766 14.537 ( -1.077 -1.077 -3.137) 3.487 14.606 ( 0.079 0.079 -2.305) 2.308 14.610 ( 0.074 0.074 -2.851) 2.853 18.211 ( 0.813 0.813 0.855) 1.433 18.274 ( -0.494 -0.494 -1.445) 1.605 18.302 ( 0.267 0.267 -1.644) 1.686 18.306 ( 0.299 0.299 -0.640) 0.767 18.503 ( -0.064 -0.064 1.924) 1.926 18.533 ( -0.645 -0.645 0.496) 1.038 18.557 ( -0.179 -0.179 0.838) 0.876 18.561 ( -0.138 -0.138 0.305) 0.362 19.456 ( 0.131 0.131 0.432) 0.470 19.458 ( 0.228 0.228 0.407) 0.519 19.475 ( -0.216 -0.216 0.883) 0.935 19.495 ( -0.574 -0.574 -0.044) 0.813 22.546 ( 0.266 0.266 1.102) 1.164 22.570 ( -0.264 -0.264 -0.114) 0.391 22.590 ( 0.419 0.419 -0.128) 0.606 22.597 ( -0.049 -0.049 -0.912) 0.915 22.703 ( -0.475 -0.475 0.245) 0.716 22.726 ( -0.273 -0.273 1.443) 1.494 22.736 ( 0.041 0.041 3.498) 3.498 22.768 ( 0.202 0.202 5.895) 5.902 22.772 ( 0.288 0.288 0.154) 0.436 22.790 ( 0.612 0.612 6.916) 6.970 22.924 ( 0.142 0.142 9.591) 9.593 23.016 ( -2.026 -2.026 5.216) 5.951 23.800 ( 0.358 0.358 -4.383) 4.412 23.821 ( 0.675 0.675 -4.354) 4.458 23.968 ( 0.870 0.870 -1.932) 2.290 24.087 ( -1.301 -1.301 -7.957) 8.167 24.690 ( -0.113 -0.113 0.208) 0.262 24.697 ( -0.136 -0.136 -0.149) 0.243 24.704 ( 0.079 0.079 -0.072) 0.133 24.716 ( -0.128 -0.128 -0.544) 0.573 25.382 ( 0.330 0.330 1.085) 1.181 25.402 ( -0.111 -0.111 -1.461) 1.469 25.432 ( 1.013 1.013 -2.352) 2.753 25.487 ( -0.306 -0.306 -4.332) 4.354 29.879 ( -0.035 -0.035 2.059) 2.059 29.880 ( -0.020 -0.020 2.064) 2.064 29.898 ( 0.180 0.180 1.947) 1.964 29.903 ( 0.074 0.074 1.728) 1.731 30.136 ( 0.000 0.000 -1.912) 1.912 30.136 ( 0.006 0.006 -1.974) 1.974 30.242 ( 0.173 0.173 -1.038) 1.066 30.268 ( -0.354 -0.354 -2.205) 2.261 46.441 ( 3.992 3.992 -0.523) 5.669 46.671 ( 12.539 12.539 -3.742) 18.124 47.015 ( -5.826 -5.826 11.718) 14.325 47.583 ( -7.938 -7.938 -14.065) 17.996 55.634 ( -2.768 -2.768 -1.489) 4.188 55.789 ( -5.422 -5.422 -0.928) 7.723 55.853 ( 4.609 4.609 -0.829) 6.571 55.966 ( 0.099 0.099 -2.649) 2.652 56.008 ( 1.049 1.049 -1.562) 2.154 56.060 ( 2.855 2.855 0.577) 4.079 56.415 ( 2.158 2.158 1.334) 3.330 56.593 ( -1.719 -1.719 -7.566) 7.947 56.984 ( 0.009 0.009 5.938) 5.938 56.987 ( 0.068 0.068 5.895) 5.896 57.824 ( 0.029 0.029 4.723) 4.723 57.863 ( -0.680 -0.680 2.609) 2.780 59.735 ( 0.056 0.056 -2.098) 2.100 59.770 ( 1.113 1.113 -2.112) 2.635 59.804 ( -0.611 -0.611 -1.470) 1.705 59.842 ( -0.150 -0.150 -2.532) 2.541 63.149 ( -0.102 -0.102 17.719) 17.720 63.178 ( 0.005 0.005 17.159) 17.159 63.181 ( 0.439 0.439 16.510) 16.522 63.248 ( -0.560 -0.560 13.310) 13.333 64.698 ( -0.477 -0.477 -8.775) 8.801 64.737 ( -0.725 -0.725 -8.625) 8.686 64.760 ( 0.638 0.638 -8.394) 8.443 64.809 ( -0.207 -0.207 -8.574) 8.579 ======================= Grid point 107 (29/36) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 3.901 5.753 10.646) 12.714 1.895 ( 1.460 6.982 8.649) 11.210 1.976 ( 3.986 3.135 10.681) 11.824 2.033 ( -1.521 1.378 5.149) 5.543 2.157 ( 3.686 -1.074 3.011) 4.880 2.198 ( -0.000 0.232 3.476) 3.484 2.418 ( -2.481 -5.017 8.313) 10.022 2.436 ( -2.913 -3.293 1.479) 4.639 2.497 ( -0.134 -4.141 5.750) 7.087 2.518 ( -1.184 -6.067 2.272) 6.586 2.652 ( 1.967 0.695 -0.021) 2.086 2.678 ( 0.279 1.901 -1.733) 2.587 2.738 ( -2.438 -6.860 0.086) 7.280 2.806 ( 5.398 -2.497 -0.390) 5.960 2.819 ( -8.237 -7.026 -1.994) 11.008 2.940 ( -5.944 -3.734 -3.022) 7.642 3.151 ( 2.775 5.810 -3.511) 7.334 3.193 ( -1.162 6.976 -0.131) 7.073 3.255 ( 2.688 8.226 -1.079) 8.721 3.309 ( -2.942 7.055 -0.206) 7.647 3.589 ( -0.789 -4.934 -2.851) 5.753 3.602 ( -1.352 -3.319 -1.702) 3.967 3.747 ( 4.410 2.623 -2.944) 5.915 3.781 ( 0.387 -1.009 -6.350) 6.441 3.850 ( -0.270 2.017 -2.188) 2.988 3.883 ( -3.191 -1.458 -2.853) 4.522 4.101 ( 1.956 7.453 -7.311) 10.622 4.201 ( -5.983 9.896 -5.385) 12.757 4.332 ( 5.257 -6.091 -0.032) 8.045 4.423 ( 4.382 -8.687 -3.774) 10.436 4.490 ( -3.255 -9.885 -0.008) 10.407 4.602 ( 0.957 -7.208 -0.800) 7.315 4.643 ( -1.184 -11.202 -0.763) 11.290 4.811 ( -7.508 -2.108 1.031) 7.866 5.021 ( 8.474 6.901 -0.658) 10.949 5.126 ( -1.171 3.695 -2.830) 4.800 5.285 ( 2.840 3.970 1.834) 5.214 5.312 ( -0.009 10.889 -1.784) 11.034 5.416 ( -3.344 -3.523 0.586) 4.893 5.436 ( -3.448 -1.167 -1.344) 3.880 5.708 ( 11.965 2.011 2.306) 12.350 5.939 ( -6.788 3.429 -2.811) 8.108 6.227 ( 3.067 5.047 -0.499) 5.927 6.340 ( -4.484 2.875 -2.599) 5.927 6.572 ( 7.646 -6.430 -0.698) 10.014 6.738 ( -7.151 -7.289 2.537) 10.521 6.956 ( 8.296 4.684 -3.980) 10.325 7.111 ( -6.006 0.755 -5.504) 8.181 10.909 ( 1.168 0.292 7.504) 7.600 10.936 ( -1.273 -0.272 6.363) 6.495 11.013 ( 0.348 0.107 6.141) 6.152 11.018 ( -0.090 0.039 5.451) 5.452 12.328 ( 1.798 -0.869 4.291) 4.732 12.371 ( -2.096 -1.546 5.122) 5.745 12.418 ( 3.012 2.172 4.037) 5.485 12.478 ( -2.493 0.630 3.281) 4.169 14.488 ( 0.896 -0.021 -1.378) 1.644 14.511 ( -1.257 -0.555 -2.358) 2.729 14.608 ( 0.104 0.029 -2.530) 2.532 14.610 ( -0.065 -0.028 -2.785) 2.786 18.234 ( 1.205 0.399 0.260) 1.296 18.258 ( -0.990 -0.138 -0.614) 1.174 18.308 ( 0.256 0.337 -1.382) 1.445 18.310 ( 0.084 0.376 -0.855) 0.938 18.505 ( 0.308 -0.230 1.463) 1.513 18.517 ( -0.742 -0.428 0.879) 1.228 18.555 ( -0.011 -0.272 0.606) 0.664 18.557 ( -0.196 -0.252 0.331) 0.459 19.460 ( 0.251 0.059 0.489) 0.553 19.463 ( 0.105 0.122 0.442) 0.470 19.472 ( 0.058 -0.177 0.631) 0.657 19.481 ( -0.672 -0.286 0.254) 0.773 22.554 ( 0.448 0.076 0.646) 0.790 22.564 ( -0.393 -0.172 0.156) 0.457 22.595 ( 0.140 0.138 -0.367) 0.416 22.597 ( -0.033 -0.072 -0.505) 0.512 22.700 ( 0.302 0.232 -0.026) 0.382 22.712 ( -0.731 0.575 0.456) 1.036 22.748 ( 0.742 -0.514 3.595) 3.706 22.762 ( -0.556 -0.010 3.393) 3.439 22.785 ( 0.691 -0.652 4.625) 4.721 22.796 ( -0.189 -0.232 6.460) 6.467 22.935 ( 1.041 0.353 8.348) 8.420 22.969 ( -2.101 -0.467 7.034) 7.356 23.813 ( 0.740 -0.063 -4.138) 4.204 23.825 ( -0.321 -0.069 -3.969) 3.983 24.001 ( 2.123 0.752 -4.326) 4.877 24.049 ( -2.204 -0.261 -6.545) 6.911 24.689 ( 0.050 -0.024 0.110) 0.123 24.692 ( -0.228 0.008 -0.028) 0.230 24.708 ( 0.218 -0.150 -0.197) 0.330 24.713 ( -0.221 -0.175 -0.379) 0.472 25.390 ( 0.422 0.199 0.184) 0.501 25.398 ( -0.283 0.024 -0.843) 0.889 25.456 ( 1.132 0.483 -3.091) 3.327 25.476 ( -0.723 0.004 -3.851) 3.918 29.879 ( 0.016 -0.001 2.053) 2.053 29.879 ( -0.044 0.009 2.056) 2.057 29.902 ( 0.165 0.078 1.886) 1.894 29.904 ( -0.017 0.059 1.821) 1.822 30.136 ( 0.007 0.014 -1.907) 1.907 30.136 ( -0.006 0.006 -1.933) 1.933 30.248 ( 0.409 0.029 -1.431) 1.489 30.258 ( -0.516 -0.180 -1.886) 1.964 46.590 ( 9.359 0.168 1.480) 9.477 46.795 ( -7.957 1.123 4.124) 9.032 47.031 ( 14.051 1.818 -3.844) 14.680 47.347 ( -13.824 -1.819 -9.809) 17.048 55.616 ( 1.138 -5.082 -2.052) 5.597 55.677 ( -4.393 -5.739 -1.797) 7.447 55.927 ( 2.050 1.794 -2.257) 3.538 55.956 ( -0.915 0.335 -2.586) 2.764 56.053 ( 2.709 3.870 0.438) 4.744 56.090 ( -0.303 4.643 0.955) 4.750 56.474 ( 3.202 0.730 -1.669) 3.684 56.542 ( -2.973 -0.808 -5.036) 5.903 56.985 ( 0.114 -0.108 5.898) 5.900 56.987 ( -0.071 -0.073 5.873) 5.874 57.829 ( 0.529 0.849 4.414) 4.526 57.845 ( -0.897 0.675 3.725) 3.891 59.746 ( 0.913 -0.841 -2.136) 2.471 59.768 ( -1.037 -1.032 -2.064) 2.530 59.812 ( 1.120 1.143 -1.956) 2.527 59.833 ( -0.743 0.733 -2.218) 2.451 63.152 ( 0.379 0.261 17.555) 17.561 63.164 ( -0.709 0.625 17.249) 17.275 63.205 ( 1.248 -0.520 15.878) 15.936 63.230 ( -1.050 -0.550 14.623) 14.671 64.696 ( 0.347 -0.293 -9.271) 9.282 64.712 ( -1.163 -0.236 -9.217) 9.293 64.781 ( 1.047 -0.026 -8.042) 8.110 64.800 ( -0.696 -0.069 -8.048) 8.078 ======================= Grid point 112 (30/36) ======================= q-point: ( 0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 4.681 4.681 4.931) 8.254 2.005 ( 2.656 2.656 5.846) 6.949 2.095 ( 5.009 5.009 10.323) 12.520 2.110 ( 1.470 1.470 4.817) 5.247 2.149 ( 3.786 3.786 7.012) 8.823 2.170 ( -1.060 -1.060 5.084) 5.300 2.304 ( -4.802 -4.802 7.342) 10.001 2.345 ( -6.064 -6.064 3.883) 9.414 2.405 ( -2.191 -2.191 5.083) 5.953 2.416 ( -2.870 -2.870 6.790) 7.910 2.602 ( -1.840 -1.840 -2.837) 3.849 2.647 ( -4.448 -4.448 -4.056) 7.484 2.699 ( 0.168 0.168 -4.719) 4.725 2.703 ( -1.255 -1.255 -4.894) 5.206 2.829 ( 3.092 3.092 1.062) 4.500 2.893 ( -2.267 -2.267 0.494) 3.243 3.269 ( 4.208 4.208 -0.175) 5.954 3.296 ( 2.006 2.006 0.621) 2.905 3.386 ( 3.621 3.621 -2.572) 5.731 3.391 ( 1.780 1.780 -1.381) 2.872 3.502 ( -2.340 -2.340 -3.366) 4.720 3.530 ( -3.431 -3.431 -3.826) 6.179 3.785 ( 1.007 1.007 -4.965) 5.166 3.796 ( 0.714 0.714 -4.321) 4.437 3.869 ( 1.133 1.133 -2.183) 2.708 3.888 ( -0.269 -0.269 1.552) 1.598 4.190 ( 3.104 3.104 -2.566) 5.084 4.260 ( -0.858 -0.858 -6.237) 6.354 4.316 ( -5.026 -5.026 -3.899) 8.107 4.324 ( -0.913 -0.913 -1.089) 1.689 4.364 ( -4.835 -4.835 -2.222) 7.190 4.396 ( 0.689 0.689 -2.516) 2.698 4.594 ( 3.713 3.713 -0.844) 5.319 4.721 ( -5.945 -5.945 0.522) 8.424 5.180 ( 6.617 6.617 -0.049) 9.358 5.194 ( 2.236 2.236 -0.128) 3.165 5.289 ( -5.477 -5.477 1.887) 7.972 5.329 ( -4.762 -4.762 -1.481) 6.895 5.333 ( 1.925 1.925 1.187) 2.970 5.402 ( -2.265 -2.265 -0.262) 3.214 5.911 ( 13.118 13.118 0.492) 18.558 6.085 ( 3.385 3.385 -3.253) 5.788 6.256 ( 0.136 0.136 5.476) 5.479 6.358 ( -2.405 -2.405 1.428) 3.689 6.490 ( 0.034 0.034 -8.159) 8.159 6.565 ( -7.213 -7.213 -3.245) 10.705 7.050 ( 3.768 3.768 -3.248) 6.241 7.106 ( -1.436 -1.436 -3.721) 4.239 10.918 ( 0.472 0.472 6.770) 6.803 10.928 ( -0.459 -0.459 6.259) 6.293 11.016 ( 0.142 0.142 6.464) 6.467 11.018 ( -0.053 -0.053 6.110) 6.110 12.321 ( 0.304 0.304 4.113) 4.136 12.339 ( -1.285 -1.285 4.363) 4.727 12.460 ( 1.612 1.612 4.347) 4.908 12.482 ( -0.385 -0.385 4.146) 4.181 14.489 ( 0.230 0.230 -1.867) 1.895 14.498 ( -0.572 -0.572 -2.247) 2.388 14.609 ( 0.026 0.026 -2.523) 2.524 14.609 ( -0.042 -0.042 -2.651) 2.652 18.244 ( 0.515 0.515 -0.274) 0.778 18.253 ( -0.323 -0.323 -0.654) 0.797 18.316 ( 0.268 0.268 -0.834) 0.916 18.317 ( 0.166 0.166 -0.537) 0.586 18.502 ( 0.010 0.010 1.031) 1.031 18.507 ( -0.423 -0.423 0.744) 0.955 18.550 ( -0.116 -0.116 0.710) 0.729 18.551 ( -0.224 -0.224 0.536) 0.623 19.462 ( 0.173 0.173 0.497) 0.554 19.467 ( -0.136 -0.136 0.596) 0.626 19.467 ( 0.151 0.151 0.404) 0.456 19.474 ( -0.360 -0.360 0.378) 0.634 22.557 ( 0.165 0.165 0.285) 0.369 22.560 ( -0.147 -0.147 0.075) 0.222 22.595 ( -0.042 -0.042 -0.548) 0.551 22.596 ( -0.096 -0.096 -0.379) 0.403 22.712 ( 0.850 0.850 0.303) 1.239 22.726 ( 0.195 0.195 0.893) 0.935 22.738 ( 0.019 0.019 2.465) 2.465 22.755 ( -0.878 -0.878 1.862) 2.238 22.776 ( 0.122 0.122 7.034) 7.036 22.786 ( -0.615 -0.615 6.640) 6.697 22.945 ( 0.563 0.563 7.972) 8.012 22.958 ( -0.582 -0.582 7.655) 7.699 23.814 ( 0.234 0.234 -4.362) 4.375 23.821 ( -0.320 -0.320 -4.176) 4.201 24.020 ( 0.994 0.994 -4.858) 5.057 24.039 ( -0.695 -0.695 -5.659) 5.743 24.689 ( 0.066 0.066 0.017) 0.095 24.691 ( -0.087 -0.087 -0.066) 0.140 24.706 ( 0.009 0.009 -0.126) 0.127 24.708 ( -0.196 -0.196 -0.224) 0.357 25.395 ( 0.202 0.202 -0.633) 0.694 25.398 ( -0.064 -0.064 -1.105) 1.108 25.467 ( 0.484 0.484 -2.955) 3.033 25.475 ( -0.192 -0.192 -3.310) 3.321 29.879 ( 0.023 0.023 2.050) 2.051 29.879 ( -0.012 -0.012 2.053) 2.053 29.903 ( 0.079 0.079 1.886) 1.890 29.904 ( -0.002 -0.002 1.870) 1.870 30.136 ( 0.004 0.004 -1.964) 1.964 30.136 ( 0.011 0.011 -1.935) 1.935 30.250 ( 0.134 0.134 -1.565) 1.576 30.254 ( -0.228 -0.228 -1.743) 1.773 46.636 ( 4.018 4.018 0.624) 5.716 46.740 ( -4.942 -4.942 2.404) 7.391 47.139 ( 6.866 6.866 -4.646) 10.764 47.273 ( -5.179 -5.179 -5.891) 9.400 55.548 ( -1.051 -1.051 -3.039) 3.383 55.574 ( -3.342 -3.342 -2.904) 5.547 55.942 ( 0.269 0.269 -3.046) 3.070 55.950 ( -0.494 -0.494 -2.925) 3.007 56.141 ( 3.150 3.150 1.384) 4.665 56.161 ( 1.390 1.390 1.406) 2.417 56.494 ( 1.130 1.130 -2.450) 2.925 56.519 ( -1.189 -1.189 -3.718) 4.081 56.984 ( 0.006 0.006 5.889) 5.889 56.985 ( -0.100 -0.100 5.874) 5.876 57.849 ( 0.771 0.771 4.337) 4.472 57.856 ( 0.140 0.140 4.133) 4.138 59.737 ( 0.037 0.037 -2.263) 2.263 59.747 ( -0.834 -0.834 -2.220) 2.514 59.833 ( 0.765 0.765 -2.075) 2.340 59.841 ( 0.037 0.037 -2.142) 2.143 63.162 ( 0.623 0.623 17.331) 17.353 63.173 ( -0.131 -0.131 17.149) 17.150 63.199 ( 0.282 0.282 15.896) 15.901 63.214 ( -0.886 -0.886 15.379) 15.430 64.694 ( 0.173 0.173 -9.626) 9.629 64.702 ( -0.568 -0.568 -9.562) 9.596 64.785 ( 0.407 0.407 -7.854) 7.875 64.795 ( -0.392 -0.392 -7.802) 7.822 ======================= Grid point 125 (31/36) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 0.000 0.000 -8.637) 8.637 1.841 ( 0.000 0.000 8.637) 8.637 2.002 ( 0.000 0.000 0.000) 0.000 2.002 ( 0.000 -0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 -5.681) 5.681 2.357 ( -0.000 0.000 5.681) 5.681 2.619 ( -0.000 0.000 0.000) 0.000 2.619 ( -0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.633 ( -0.000 -0.000 0.000) 0.000 2.851 ( 0.000 0.000 -12.691) 12.691 2.851 ( -0.000 0.000 12.691) 12.691 3.116 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 -5.811) 5.811 3.136 ( 0.000 0.000 5.811) 5.811 3.312 ( 0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 -4.511) 4.511 3.430 ( 0.000 0.000 4.511) 4.511 3.849 ( 0.000 0.000 0.000) 0.000 3.849 ( -0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 -0.591) 0.591 4.014 ( 0.000 0.000 0.591) 0.591 4.140 ( 0.000 0.000 0.000) 0.000 4.140 ( -0.000 -0.000 0.000) 0.000 4.236 ( 0.000 -0.000 -4.755) 4.755 4.236 ( 0.000 0.000 4.755) 4.755 4.569 ( 0.000 0.000 -2.332) 2.332 4.569 ( 0.000 0.000 2.332) 2.332 4.575 ( -0.000 -0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.204 ( 0.000 0.000 -3.555) 3.555 5.204 ( 0.000 0.000 3.555) 3.555 5.231 ( -0.000 -0.000 -2.800) 2.800 5.231 ( -0.000 -0.000 2.800) 2.800 5.965 ( -0.000 0.000 -5.550) 5.550 5.965 ( 0.000 0.000 5.550) 5.550 6.380 ( -0.000 0.000 -0.000) 0.000 6.380 ( 0.000 0.000 -0.000) 0.000 6.400 ( 0.000 0.000 0.000) 0.000 6.400 ( 0.000 0.000 0.000) 0.000 7.119 ( -0.000 0.000 -8.194) 8.194 7.119 ( 0.000 0.000 8.194) 8.194 10.995 ( 0.000 0.000 -3.275) 3.275 10.995 ( -0.000 0.000 3.275) 3.275 11.064 ( 0.000 0.000 0.000) 0.000 11.064 ( 0.000 0.000 0.000) 0.000 12.329 ( 0.000 0.000 0.000) 0.000 12.329 ( -0.000 -0.000 0.000) 0.000 12.540 ( -0.000 0.000 -3.143) 3.143 12.540 ( 0.000 0.000 3.143) 3.143 14.495 ( 0.000 0.000 -2.881) 2.881 14.495 ( 0.000 0.000 2.881) 2.881 14.582 ( 0.000 0.000 0.000) 0.000 14.582 ( -0.000 -0.000 0.000) 0.000 18.228 ( 0.000 -0.000 -2.504) 2.504 18.228 ( 0.000 0.000 2.504) 2.504 18.291 ( -0.000 -0.000 0.000) 0.000 18.291 ( 0.000 0.000 0.000) 0.000 18.538 ( -0.000 -0.000 -1.144) 1.144 18.538 ( 0.000 0.000 1.144) 1.144 18.571 ( 0.000 0.000 0.000) 0.000 18.571 ( 0.000 0.000 0.000) 0.000 19.457 ( -0.000 -0.000 0.000) 0.000 19.457 ( 0.000 0.000 0.000) 0.000 19.499 ( -0.000 0.000 -0.790) 0.790 19.499 ( 0.000 0.000 0.790) 0.790 22.571 ( 0.000 0.000 -1.620) 1.620 22.571 ( 0.000 0.000 1.620) 1.620 22.575 ( 0.000 0.000 0.000) 0.000 22.575 ( 0.000 0.000 0.000) 0.000 22.736 ( 0.000 0.000 -0.270) 0.270 22.736 ( 0.000 -0.000 0.270) 0.270 22.746 ( 0.000 -0.000 0.000) 0.000 22.746 ( 0.000 -0.000 0.000) 0.000 22.847 ( -0.000 -0.000 0.000) 0.000 22.847 ( 0.000 0.000 0.000) 0.000 23.069 ( 0.000 0.000 -3.767) 3.767 23.069 ( 0.000 0.000 3.767) 3.767 23.747 ( 0.000 0.000 0.000) 0.000 23.747 ( 0.000 0.000 0.000) 0.000 23.992 ( 0.000 0.000 -4.174) 4.174 23.992 ( 0.000 0.000 4.174) 4.174 24.698 ( 0.000 0.000 0.000) 0.000 24.698 ( 0.000 0.000 0.000) 0.000 24.706 ( 0.000 0.000 -0.611) 0.611 24.706 ( 0.000 0.000 0.611) 0.611 25.388 ( 0.000 0.000 0.000) 0.000 25.388 ( -0.000 -0.000 0.000) 0.000 25.420 ( 0.000 -0.000 -3.067) 3.067 25.420 ( 0.000 0.000 3.067) 3.067 29.902 ( -0.000 -0.000 0.000) 0.000 29.902 ( 0.000 0.000 0.000) 0.000 29.915 ( 0.000 0.000 -0.223) 0.223 29.915 ( 0.000 0.000 0.223) 0.223 30.115 ( 0.000 0.000 0.000) 0.000 30.115 ( 0.000 0.000 0.000) 0.000 30.241 ( 0.000 0.000 -1.066) 1.066 30.241 ( 0.000 0.000 1.066) 1.066 46.339 ( 0.000 -0.000 0.000) 0.000 46.339 ( 0.000 0.000 0.000) 0.000 47.458 ( -0.000 -0.000 -16.757) 16.757 47.458 ( -0.000 -0.000 16.757) 16.757 55.719 ( 0.000 0.000 0.000) 0.000 55.719 ( 0.000 -0.000 0.000) 0.000 55.922 ( -0.000 0.000 -0.718) 0.718 55.922 ( 0.000 -0.000 0.718) 0.718 55.971 ( 0.000 0.000 0.000) 0.000 55.971 ( 0.000 0.000 0.000) 0.000 56.471 ( -0.000 -0.000 -7.072) 7.072 56.471 ( -0.000 -0.000 7.072) 7.072 57.043 ( 0.000 0.000 0.000) 0.000 57.043 ( -0.000 0.000 0.000) 0.000 57.890 ( 0.000 0.000 -1.343) 1.343 57.890 ( 0.000 0.000 1.343) 1.343 59.714 ( 0.000 0.000 0.000) 0.000 59.714 ( 0.000 0.000 0.000) 0.000 59.815 ( 0.000 -0.000 -0.762) 0.762 59.815 ( 0.000 0.000 0.762) 0.762 63.350 ( 0.000 0.000 0.000) 0.000 63.350 ( -0.000 0.000 0.000) 0.000 63.371 ( -0.000 0.000 -2.152) 2.152 63.371 ( 0.000 0.000 2.152) 2.152 64.645 ( 0.000 0.000 0.000) 0.000 64.645 ( -0.000 0.000 0.000) 0.000 64.674 ( -0.000 0.000 -3.133) 3.133 64.674 ( -0.000 0.000 3.133) 3.133 ======================= Grid point 127 (32/36) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 2.596 0.000 -5.581) 6.155 1.874 ( 2.596 0.000 5.581) 6.155 2.043 ( 3.716 0.000 -0.034) 3.716 2.043 ( 3.716 0.000 0.034) 3.716 2.186 ( -4.494 0.000 -0.085) 4.495 2.186 ( -4.494 0.000 0.085) 4.495 2.488 ( 6.981 0.000 -3.455) 7.789 2.488 ( 6.981 0.000 3.455) 7.789 2.601 ( -1.163 0.000 -0.694) 1.354 2.601 ( -1.163 0.000 0.694) 1.354 2.631 ( -0.316 0.000 -1.015) 1.063 2.631 ( -0.316 0.000 1.015) 1.063 2.814 ( -1.911 0.000 -12.688) 12.831 2.814 ( -1.911 0.000 12.688) 12.831 3.080 ( -3.069 0.000 -0.667) 3.141 3.080 ( -3.069 0.000 0.667) 3.141 3.123 ( -1.768 0.000 -1.831) 2.545 3.123 ( -1.768 0.000 1.831) 2.545 3.226 ( -6.565 0.000 -1.394) 6.712 3.226 ( -6.565 0.000 1.394) 6.712 3.540 ( 7.797 0.000 -0.278) 7.802 3.540 ( 7.797 0.000 0.278) 7.802 3.760 ( -4.673 0.000 -0.302) 4.682 3.760 ( -4.673 0.000 0.302) 4.682 3.925 ( -10.158 0.000 -0.063) 10.158 3.925 ( -10.158 0.000 0.063) 10.158 4.052 ( -1.030 0.000 -0.648) 1.217 4.052 ( -1.030 0.000 0.648) 1.217 4.390 ( 0.676 0.000 -2.258) 2.357 4.390 ( 0.676 0.000 2.258) 2.357 4.504 ( 11.394 0.000 -0.617) 11.411 4.504 ( 11.394 0.000 0.617) 11.411 4.774 ( 5.405 0.000 -1.274) 5.553 4.774 ( 5.405 0.000 1.274) 5.553 5.036 ( -3.323 0.000 -4.543) 5.629 5.036 ( -3.323 0.000 4.543) 5.629 5.176 ( -3.320 0.000 -0.495) 3.357 5.176 ( -3.320 0.000 0.495) 3.357 5.328 ( 7.676 0.000 -1.808) 7.886 5.328 ( 7.676 0.000 1.808) 7.886 5.867 ( -5.470 0.000 -5.051) 7.445 5.867 ( -5.470 0.000 5.051) 7.445 6.334 ( -5.556 0.000 -4.376) 7.072 6.334 ( -5.556 0.000 4.376) 7.072 6.531 ( 10.727 0.000 -3.258) 11.211 6.531 ( 10.727 0.000 3.258) 11.211 7.077 ( -3.894 0.000 -7.369) 8.334 7.077 ( -3.894 0.000 7.369) 8.334 10.995 ( 0.027 0.000 -2.634) 2.634 10.995 ( 0.027 0.000 2.634) 2.634 11.065 ( 0.149 0.000 -0.004) 0.149 11.065 ( 0.149 0.000 0.004) 0.149 12.351 ( 1.982 0.000 -0.068) 1.983 12.351 ( 1.982 0.000 0.068) 1.983 12.521 ( -1.706 0.000 -2.651) 3.153 12.521 ( -1.706 0.000 2.651) 3.153 14.492 ( -0.271 0.000 -2.294) 2.310 14.492 ( -0.271 0.000 2.294) 2.310 14.582 ( -0.035 0.000 -0.025) 0.043 14.582 ( -0.035 0.000 0.025) 0.043 18.234 ( 0.498 0.000 -2.175) 2.231 18.234 ( 0.498 0.000 2.175) 2.231 18.291 ( -0.017 0.000 -0.055) 0.057 18.291 ( -0.017 0.000 0.055) 0.057 18.534 ( -0.279 0.000 -0.960) 1.000 18.534 ( -0.279 0.000 0.960) 1.000 18.568 ( -0.256 0.000 -0.000) 0.256 18.568 ( -0.256 0.000 0.000) 0.256 19.459 ( 0.223 0.000 -0.016) 0.223 19.459 ( 0.223 0.000 0.016) 0.223 19.494 ( -0.437 0.000 -0.645) 0.780 19.494 ( -0.437 0.000 0.645) 0.780 22.569 ( -0.093 0.000 -1.031) 1.035 22.569 ( -0.093 0.000 1.031) 1.035 22.580 ( 0.398 0.000 -0.274) 0.483 22.580 ( 0.398 0.000 0.274) 0.483 22.716 ( -1.067 0.000 -0.096) 1.071 22.716 ( -1.067 0.000 0.096) 1.071 22.760 ( 0.673 0.000 -0.000) 0.673 22.760 ( 0.673 0.000 0.000) 0.673 22.858 ( 0.912 0.000 -0.005) 0.912 22.858 ( 0.912 0.000 0.005) 0.912 23.054 ( -1.191 0.000 -2.991) 3.219 23.054 ( -1.191 0.000 2.991) 3.219 23.758 ( 0.988 0.000 -0.142) 0.998 23.758 ( 0.988 0.000 0.142) 0.998 23.983 ( -0.752 0.000 -3.582) 3.660 23.983 ( -0.752 0.000 3.582) 3.660 24.695 ( -0.206 0.000 -0.057) 0.214 24.695 ( -0.206 0.000 0.057) 0.214 24.707 ( 0.082 0.000 -0.406) 0.414 24.707 ( 0.082 0.000 0.406) 0.414 25.393 ( 0.472 0.000 -0.290) 0.554 25.393 ( 0.472 0.000 0.290) 0.554 25.419 ( -0.101 0.000 -2.820) 2.822 25.419 ( -0.101 0.000 2.820) 2.822 29.901 ( -0.060 0.000 -0.005) 0.060 29.901 ( -0.060 0.000 0.005) 0.060 29.917 ( 0.174 0.000 -0.153) 0.232 29.917 ( 0.174 0.000 0.153) 0.232 30.115 ( 0.028 0.000 -0.009) 0.030 30.115 ( 0.028 0.000 0.009) 0.030 30.240 ( -0.131 0.000 -0.881) 0.891 30.240 ( -0.131 0.000 0.881) 0.891 46.445 ( 9.436 0.000 -0.912) 9.480 46.445 ( 9.436 0.000 0.912) 9.480 47.366 ( -8.258 0.000 -14.906) 17.041 47.366 ( -8.258 0.000 14.906) 17.041 55.719 ( -0.028 0.000 -0.030) 0.041 55.719 ( -0.028 0.000 0.030) 0.041 55.907 ( -0.874 0.000 -0.391) 0.957 55.907 ( -0.874 0.000 0.391) 0.957 55.994 ( 1.437 0.000 -0.009) 1.438 55.994 ( 1.437 0.000 0.009) 1.438 56.472 ( 0.099 0.000 -5.771) 5.772 56.472 ( 0.099 0.000 5.771) 5.772 57.044 ( 0.103 0.000 -0.000) 0.103 57.044 ( 0.103 0.000 0.000) 0.103 57.881 ( -0.747 0.000 -1.030) 1.273 57.881 ( -0.747 0.000 1.030) 1.273 59.725 ( 0.964 0.000 -0.009) 0.964 59.725 ( 0.964 0.000 0.009) 0.964 59.808 ( -0.647 0.000 -0.560) 0.856 59.808 ( -0.647 0.000 0.560) 0.856 63.346 ( -0.276 0.000 -0.089) 0.289 63.346 ( -0.276 0.000 0.089) 0.289 63.376 ( 0.340 0.000 -1.527) 1.564 63.376 ( 0.340 0.000 1.527) 1.564 64.626 ( -1.225 0.000 -0.464) 1.310 64.626 ( -1.225 0.000 0.464) 1.310 64.687 ( 0.739 0.000 -1.533) 1.702 64.687 ( 0.739 0.000 1.533) 1.702 ======================= Grid point 129 (33/36) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 1.023 0.000 -0.567) 1.169 1.918 ( 1.023 0.000 0.567) 1.169 2.124 ( -1.191 0.000 -0.289) 1.225 2.124 ( -1.191 0.000 0.289) 1.225 2.134 ( 3.366 0.000 -1.282) 3.602 2.134 ( 3.366 0.000 1.282) 3.602 2.575 ( 1.287 0.000 -4.493) 4.674 2.575 ( 1.287 0.000 4.493) 4.674 2.593 ( -0.033 0.000 -2.158) 2.158 2.593 ( -0.033 0.000 2.158) 2.158 2.623 ( 0.082 0.000 -0.957) 0.960 2.623 ( 0.082 0.000 0.957) 0.960 2.832 ( 2.904 0.000 -6.160) 6.810 2.832 ( 2.904 0.000 6.160) 6.810 2.981 ( -5.475 0.000 -1.702) 5.734 2.981 ( -5.475 0.000 1.702) 5.734 3.055 ( -2.822 0.000 -0.023) 2.822 3.055 ( -2.822 0.000 0.023) 2.822 3.116 ( -2.630 0.000 -0.439) 2.667 3.116 ( -2.630 0.000 0.439) 2.667 3.679 ( 2.739 0.000 -0.362) 2.763 3.679 ( 2.739 0.000 0.362) 2.763 3.712 ( -0.382 0.000 -4.699) 4.715 3.712 ( -0.382 0.000 4.699) 4.715 3.787 ( -0.637 0.000 -2.760) 2.833 3.787 ( -0.637 0.000 2.760) 2.833 3.960 ( -5.333 0.000 -0.569) 5.364 3.960 ( -5.333 0.000 0.569) 5.364 4.477 ( 5.237 0.000 -3.017) 6.044 4.477 ( 5.237 0.000 3.017) 6.044 4.694 ( 1.667 0.000 -3.232) 3.637 4.694 ( 1.667 0.000 3.232) 3.637 4.820 ( 3.445 0.000 -1.041) 3.599 4.820 ( 3.445 0.000 1.041) 3.599 4.989 ( -1.801 0.000 -2.855) 3.376 4.989 ( -1.801 0.000 2.855) 3.376 5.100 ( -2.806 0.000 -0.001) 2.806 5.100 ( -2.806 0.000 0.001) 2.806 5.443 ( 1.816 0.000 -0.545) 1.896 5.443 ( 1.816 0.000 0.545) 1.896 5.847 ( 3.376 0.000 -4.863) 5.919 5.847 ( 3.376 0.000 4.863) 5.919 6.189 ( -6.532 0.000 -4.204) 7.768 6.189 ( -6.532 0.000 4.204) 7.768 6.761 ( 10.133 0.000 -4.119) 10.939 6.761 ( 10.133 0.000 4.119) 10.939 6.957 ( -7.303 0.000 -5.613) 9.211 6.957 ( -7.303 0.000 5.613) 9.211 10.995 ( 0.016 0.000 -0.997) 0.997 10.995 ( 0.016 0.000 0.997) 0.997 11.068 ( 0.092 0.000 -0.006) 0.092 11.068 ( 0.092 0.000 0.006) 0.092 12.406 ( 3.007 0.000 -0.514) 3.050 12.406 ( 3.007 0.000 0.514) 3.050 12.471 ( -2.833 0.000 -1.518) 3.214 12.471 ( -2.833 0.000 1.518) 3.214 14.486 ( -0.164 0.000 -0.856) 0.872 14.486 ( -0.164 0.000 0.856) 0.872 14.581 ( -0.026 0.000 -0.029) 0.039 14.581 ( -0.026 0.000 0.029) 0.039 18.245 ( 0.373 0.000 -0.982) 1.050 18.245 ( 0.373 0.000 0.982) 1.050 18.290 ( -0.066 0.000 -0.127) 0.143 18.290 ( -0.066 0.000 0.127) 0.143 18.529 ( -0.182 0.000 -0.387) 0.428 18.529 ( -0.182 0.000 0.387) 0.428 18.563 ( -0.158 0.000 -0.000) 0.158 18.563 ( -0.158 0.000 0.000) 0.158 19.465 ( 0.303 0.000 -0.067) 0.310 19.465 ( 0.303 0.000 0.067) 0.310 19.483 ( -0.433 0.000 -0.299) 0.526 19.483 ( -0.433 0.000 0.299) 0.526 22.568 ( -0.032 0.000 -0.384) 0.386 22.568 ( -0.032 0.000 0.384) 0.386 22.588 ( 0.249 0.000 -0.106) 0.271 22.588 ( 0.249 0.000 0.106) 0.271 22.699 ( -0.493 0.000 -0.052) 0.495 22.699 ( -0.493 0.000 0.052) 0.495 22.770 ( 0.252 0.000 -0.001) 0.252 22.770 ( 0.252 0.000 0.001) 0.252 22.877 ( 0.648 0.000 -0.018) 0.649 22.877 ( 0.648 0.000 0.018) 0.649 23.029 ( -0.843 0.000 -1.129) 1.409 23.029 ( -0.843 0.000 1.129) 1.409 23.779 ( 0.691 0.000 -0.231) 0.729 23.779 ( 0.691 0.000 0.231) 0.729 23.967 ( -0.553 0.000 -1.546) 1.642 23.967 ( -0.553 0.000 1.546) 1.642 24.691 ( -0.101 0.000 -0.035) 0.107 24.691 ( -0.101 0.000 0.035) 0.107 24.708 ( 0.024 0.000 -0.138) 0.141 24.708 ( 0.024 0.000 0.138) 0.141 25.404 ( 0.479 0.000 -1.014) 1.122 25.404 ( 0.479 0.000 1.014) 1.122 25.415 ( -0.255 0.000 -1.968) 1.985 25.415 ( -0.255 0.000 1.968) 1.985 29.900 ( -0.026 0.000 -0.004) 0.027 29.900 ( -0.026 0.000 0.004) 0.027 29.920 ( 0.097 0.000 -0.047) 0.108 29.920 ( 0.097 0.000 0.047) 0.108 30.115 ( 0.019 0.000 -0.011) 0.022 30.115 ( 0.019 0.000 0.011) 0.022 30.237 ( -0.082 0.000 -0.348) 0.358 30.237 ( -0.082 0.000 0.348) 0.358 46.688 ( 11.124 0.000 -3.312) 11.606 46.688 ( 11.124 0.000 3.312) 11.606 47.146 ( -10.410 0.000 -8.720) 13.579 47.146 ( -10.410 0.000 8.720) 13.579 55.719 ( -0.004 0.000 -0.048) 0.048 55.719 ( -0.004 0.000 0.048) 0.048 55.895 ( -0.280 0.000 -0.228) 0.361 55.895 ( -0.280 0.000 0.228) 0.361 56.017 ( 0.621 0.000 -0.005) 0.621 56.017 ( 0.621 0.000 0.005) 0.621 56.474 ( 0.047 0.000 -2.238) 2.239 56.474 ( 0.047 0.000 2.238) 2.239 57.046 ( 0.054 0.000 -0.000) 0.054 57.046 ( 0.054 0.000 0.000) 0.054 57.867 ( -0.438 0.000 -0.360) 0.567 57.867 ( -0.438 0.000 0.360) 0.567 59.749 ( 1.044 0.000 -0.047) 1.045 59.749 ( 1.044 0.000 0.047) 1.045 59.791 ( -0.852 0.000 -0.228) 0.882 59.791 ( -0.852 0.000 0.228) 0.882 63.342 ( -0.121 0.000 -0.057) 0.134 63.342 ( -0.121 0.000 0.057) 0.134 63.382 ( 0.161 0.000 -0.543) 0.566 63.382 ( 0.161 0.000 0.543) 0.566 64.605 ( -0.562 0.000 -0.267) 0.622 64.605 ( -0.562 0.000 0.267) 0.622 64.698 ( 0.265 0.000 -0.455) 0.526 64.698 ( 0.265 0.000 0.455) 0.526 ======================= Grid point 137 (34/36) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 2.052 2.052 0.000) 2.901 1.961 ( 5.170 5.170 -0.000) 7.311 2.042 ( 1.466 1.466 0.000) 2.074 2.108 ( 4.255 4.255 -0.000) 6.018 2.118 ( -1.701 -1.701 -0.000) 2.405 2.302 ( -2.170 -2.170 0.000) 3.069 2.312 ( 1.028 1.028 0.000) 1.454 2.553 ( -1.977 -1.977 0.000) 2.796 2.590 ( -1.365 -1.365 0.000) 1.930 2.604 ( -1.207 -1.207 0.000) 1.707 2.631 ( -0.142 -0.142 0.000) 0.201 2.638 ( 0.423 0.423 0.000) 0.599 2.790 ( -2.459 -2.459 -0.000) 3.477 2.816 ( 4.362 4.362 0.000) 6.169 2.929 ( -7.903 -7.903 0.000) 11.176 2.977 ( -10.464 -10.464 0.000) 14.798 3.090 ( -0.468 -0.468 0.000) 0.662 3.173 ( 2.797 2.797 0.000) 3.956 3.213 ( 3.471 3.471 0.000) 4.909 3.428 ( -0.533 -0.533 0.000) 0.754 3.541 ( 7.929 7.929 0.000) 11.213 3.584 ( -0.069 -0.069 0.000) 0.098 3.627 ( -1.375 -1.375 0.000) 1.945 3.720 ( -8.028 -8.028 -0.000) 11.353 3.872 ( -3.726 -3.726 0.000) 5.269 3.941 ( 3.827 3.827 0.000) 5.412 4.042 ( -4.060 -4.060 0.000) 5.742 4.223 ( -0.210 -0.210 0.000) 0.297 4.246 ( 4.473 4.473 0.000) 6.325 4.361 ( -5.877 -5.877 0.000) 8.311 4.405 ( 2.865 2.865 0.000) 4.051 4.569 ( -3.476 -3.476 0.000) 4.915 4.769 ( 12.860 12.860 0.000) 18.187 4.883 ( -12.272 -12.272 0.000) 17.355 4.978 ( -4.308 -4.308 0.000) 6.092 5.066 ( 0.647 0.647 0.000) 0.915 5.176 ( 13.840 13.840 0.000) 19.573 5.244 ( 1.890 1.890 0.000) 2.673 5.368 ( 3.563 3.563 0.000) 5.039 5.443 ( 4.544 4.544 0.000) 6.426 5.712 ( -6.434 -6.434 0.000) 9.100 5.890 ( -1.621 -1.621 -0.000) 2.292 6.369 ( -1.026 -1.026 -0.000) 1.450 6.381 ( -0.098 -0.098 0.000) 0.138 6.385 ( -0.103 -0.103 0.000) 0.146 6.701 ( 8.886 8.886 0.000) 12.567 6.963 ( -6.674 -6.674 -0.000) 9.439 7.111 ( -0.619 -0.619 0.000) 0.876 10.992 ( -0.109 -0.109 -0.000) 0.155 10.996 ( -0.051 -0.051 0.000) 0.073 11.066 ( 0.200 0.200 0.000) 0.283 11.071 ( 0.272 0.272 0.000) 0.384 12.342 ( 0.522 0.522 0.000) 0.738 12.396 ( 2.704 2.704 0.000) 3.824 12.480 ( -2.428 -2.428 0.000) 3.433 12.533 ( -0.264 -0.264 0.000) 0.374 14.486 ( -0.343 -0.343 0.000) 0.485 14.488 ( -0.311 -0.311 -0.000) 0.440 14.581 ( -0.016 -0.016 0.000) 0.022 14.583 ( 0.026 0.026 0.000) 0.036 18.234 ( 0.214 0.214 0.000) 0.303 18.243 ( 0.451 0.451 0.000) 0.638 18.287 ( 0.021 0.021 0.000) 0.029 18.299 ( 0.320 0.320 0.000) 0.452 18.530 ( -0.363 -0.363 -0.000) 0.514 18.531 ( -0.334 -0.334 0.000) 0.472 18.564 ( -0.235 -0.235 0.000) 0.333 18.566 ( -0.212 -0.212 0.000) 0.299 19.460 ( 0.143 0.143 0.000) 0.202 19.462 ( 0.228 0.228 0.000) 0.322 19.488 ( -0.416 -0.416 0.000) 0.588 19.491 ( -0.315 -0.315 0.000) 0.445 22.565 ( -0.148 -0.148 -0.000) 0.209 22.567 ( -0.158 -0.158 0.000) 0.224 22.582 ( 0.211 0.211 0.000) 0.298 22.588 ( 0.421 0.421 0.000) 0.596 22.700 ( -0.566 -0.566 0.000) 0.800 22.730 ( -0.137 -0.137 0.000) 0.194 22.745 ( -0.011 -0.011 0.000) 0.015 22.772 ( 0.296 0.296 0.000) 0.419 22.853 ( 0.262 0.262 0.000) 0.371 22.875 ( 0.743 0.743 0.000) 1.051 23.035 ( -1.006 -1.006 -0.000) 1.423 23.054 ( -0.557 -0.557 0.000) 0.788 23.755 ( 0.364 0.364 0.000) 0.514 23.776 ( 0.844 0.844 0.000) 1.193 23.969 ( -0.611 -0.611 0.000) 0.865 23.987 ( -0.183 -0.183 -0.000) 0.259 24.692 ( -0.146 -0.146 0.000) 0.207 24.695 ( -0.116 -0.116 0.000) 0.164 24.705 ( -0.017 -0.017 -0.000) 0.024 24.709 ( 0.014 0.014 0.000) 0.019 25.387 ( -0.021 -0.021 0.000) 0.029 25.409 ( -0.457 -0.457 0.000) 0.647 25.409 ( 0.807 0.807 0.000) 1.141 25.428 ( 0.318 0.318 -0.000) 0.450 29.900 ( -0.041 -0.041 0.000) 0.058 29.902 ( -0.023 -0.023 0.000) 0.032 29.918 ( 0.118 0.118 0.000) 0.167 29.920 ( 0.151 0.151 0.000) 0.214 30.115 ( 0.009 0.009 0.000) 0.013 30.115 ( 0.021 0.021 0.000) 0.030 30.238 ( -0.114 -0.114 -0.000) 0.161 30.238 ( -0.104 -0.104 0.000) 0.147 46.435 ( 4.262 4.262 0.000) 6.027 46.635 ( 11.878 11.878 0.000) 16.798 47.192 ( -10.781 -10.781 0.000) 15.247 47.384 ( -3.329 -3.329 0.000) 4.708 55.619 ( -3.153 -3.153 0.000) 4.459 55.780 ( -5.838 -5.838 0.000) 8.257 55.843 ( 3.986 3.986 0.000) 5.637 55.939 ( 0.108 0.108 0.000) 0.153 55.994 ( 1.905 1.905 0.000) 2.694 56.067 ( 3.246 3.246 0.000) 4.590 56.473 ( 0.091 0.091 -0.000) 0.129 56.474 ( 0.099 0.099 0.000) 0.140 57.043 ( -0.004 -0.004 0.000) 0.006 57.046 ( 0.049 0.049 0.000) 0.069 57.872 ( -0.268 -0.268 0.000) 0.379 57.886 ( 0.008 0.008 0.000) 0.011 59.714 ( 0.019 0.019 0.000) 0.027 59.749 ( 1.058 1.058 0.000) 1.497 59.790 ( -0.823 -0.823 0.000) 1.164 59.817 ( 0.075 0.075 0.000) 0.106 63.340 ( -0.116 -0.116 0.000) 0.163 63.356 ( 0.253 0.253 0.000) 0.357 63.366 ( -0.209 -0.209 0.000) 0.296 63.383 ( 0.180 0.180 -0.000) 0.255 64.599 ( -0.934 -0.934 0.000) 1.320 64.642 ( -1.262 -1.262 0.000) 1.785 64.665 ( 0.807 0.807 0.000) 1.142 64.708 ( 0.487 0.487 0.000) 0.689 ======================= Grid point 139 (35/36) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 3.578 2.765 0.000) 4.522 2.000 ( -1.208 5.719 0.000) 5.845 2.105 ( 0.596 1.127 0.000) 1.275 2.119 ( 2.076 1.087 -0.000) 2.344 2.192 ( 2.309 3.904 0.000) 4.536 2.198 ( -1.211 3.185 -0.000) 3.408 2.431 ( 4.721 -7.396 0.000) 8.774 2.521 ( -3.866 -6.012 0.000) 7.148 2.541 ( 0.948 -2.579 0.000) 2.748 2.571 ( -0.309 -2.452 0.000) 2.471 2.638 ( 0.300 -1.402 -0.000) 1.433 2.639 ( -0.311 -1.187 0.000) 1.227 2.770 ( -1.739 -4.386 0.000) 4.718 2.773 ( -5.342 -10.237 0.000) 11.547 2.796 ( -1.948 -6.391 -0.000) 6.682 2.871 ( -2.453 1.494 0.000) 2.872 3.123 ( 4.133 7.156 0.000) 8.263 3.193 ( -1.064 7.205 0.000) 7.283 3.253 ( 0.991 7.474 0.000) 7.539 3.317 ( -5.603 7.920 0.000) 9.702 3.549 ( -0.223 -6.427 0.000) 6.431 3.587 ( -3.781 -6.210 0.000) 7.270 3.699 ( 4.412 0.672 0.000) 4.463 3.721 ( 4.257 1.465 0.000) 4.502 3.824 ( -0.188 0.785 0.000) 0.807 3.888 ( -6.508 4.010 0.000) 7.644 4.010 ( 4.162 7.813 0.000) 8.852 4.145 ( -6.681 10.346 0.000) 12.316 4.348 ( 5.637 -7.757 -0.000) 9.589 4.370 ( 5.688 -8.009 0.000) 9.823 4.491 ( -3.590 -12.394 -0.000) 12.904 4.594 ( -2.306 -7.486 0.000) 7.833 4.633 ( 1.830 -10.450 0.000) 10.609 4.826 ( -7.932 -1.473 0.000) 8.068 5.021 ( 8.160 7.833 0.000) 11.311 5.092 ( 1.120 4.053 0.000) 4.205 5.292 ( 0.151 12.171 0.000) 12.172 5.303 ( 1.789 5.279 0.000) 5.574 5.416 ( -3.580 -2.066 0.000) 4.133 5.433 ( -1.672 -2.616 0.000) 3.104 5.739 ( 9.839 -0.456 0.000) 9.849 5.894 ( -1.123 3.531 0.000) 3.705 6.242 ( -3.174 6.109 0.000) 6.884 6.293 ( -5.123 4.864 0.000) 7.064 6.576 ( 9.645 -9.924 0.000) 13.838 6.766 ( -7.357 -9.411 -0.000) 11.945 6.918 ( 6.718 5.223 0.000) 8.510 7.052 ( -4.841 2.637 0.000) 5.513 10.991 ( 0.044 -0.251 -0.000) 0.255 10.993 ( -0.139 -0.226 0.000) 0.265 11.072 ( 0.253 0.344 0.000) 0.427 11.074 ( 0.033 0.378 0.000) 0.379 12.370 ( 2.061 -1.079 0.000) 2.326 12.422 ( -2.615 -2.115 0.000) 3.364 12.459 ( 2.758 2.372 0.000) 3.638 12.510 ( -1.869 1.324 0.000) 2.291 14.480 ( -0.149 -0.420 0.000) 0.446 14.482 ( -0.244 -0.403 -0.000) 0.471 14.581 ( 0.056 0.051 0.000) 0.076 14.583 ( -0.063 0.075 0.000) 0.098 18.241 ( 0.419 -0.074 0.000) 0.426 18.248 ( -0.095 -0.022 0.000) 0.098 18.293 ( 0.490 0.546 0.000) 0.734 18.301 ( -0.167 0.643 0.000) 0.664 18.523 ( -0.204 -0.479 -0.000) 0.521 18.523 ( -0.251 -0.453 0.000) 0.518 18.560 ( -0.104 -0.181 0.000) 0.208 18.561 ( -0.174 -0.169 0.000) 0.243 19.465 ( 0.295 0.039 0.000) 0.298 19.468 ( 0.190 0.146 0.000) 0.240 19.479 ( -0.278 -0.276 0.000) 0.392 19.482 ( -0.427 -0.160 -0.000) 0.455 22.564 ( -0.019 -0.234 -0.000) 0.235 22.564 ( -0.065 -0.222 0.000) 0.231 22.587 ( 0.301 0.037 0.000) 0.303 22.592 ( -0.073 0.125 0.000) 0.144 22.697 ( 0.357 0.323 0.000) 0.481 22.713 ( -0.959 0.864 0.000) 1.291 22.759 ( 0.781 -0.709 0.000) 1.055 22.772 ( -0.363 -0.211 0.000) 0.419 22.866 ( 0.829 -0.405 0.000) 0.923 22.880 ( -0.289 -0.183 0.000) 0.342 23.023 ( 0.053 -0.049 0.000) 0.072 23.036 ( -0.941 0.144 0.000) 0.952 23.770 ( 0.894 -0.264 0.000) 0.932 23.784 ( -0.214 -0.036 0.000) 0.217 23.965 ( 0.264 0.214 0.000) 0.339 23.977 ( -0.700 0.410 -0.000) 0.811 24.690 ( -0.010 -0.065 0.000) 0.066 24.692 ( -0.154 -0.028 0.000) 0.157 24.706 ( 0.073 -0.119 -0.000) 0.139 24.708 ( -0.072 -0.082 0.000) 0.109 25.391 ( 0.331 -0.431 0.000) 0.544 25.399 ( -0.430 -0.579 0.000) 0.721 25.424 ( 0.555 0.845 0.000) 1.011 25.431 ( -0.063 0.666 0.000) 0.669 29.900 ( 0.017 -0.005 0.000) 0.018 29.901 ( -0.049 0.010 0.000) 0.050 29.921 ( 0.131 0.069 0.000) 0.148 29.922 ( 0.027 0.093 0.000) 0.097 30.115 ( 0.026 -0.010 0.000) 0.027 30.116 ( -0.004 -0.003 0.000) 0.005 30.236 ( -0.055 -0.076 -0.000) 0.094 30.236 ( -0.081 -0.070 0.000) 0.107 46.607 ( 11.088 -1.091 0.000) 11.142 46.829 ( -3.278 4.420 0.000) 5.503 47.017 ( 3.675 -3.616 0.000) 5.156 47.234 ( -10.256 1.794 0.000) 10.412 55.596 ( 1.055 -5.655 0.000) 5.753 55.660 ( -4.706 -6.282 0.000) 7.849 55.903 ( 1.724 1.038 0.000) 2.013 55.930 ( -0.878 0.129 0.000) 0.887 56.059 ( 3.248 4.670 0.000) 5.688 56.100 ( -0.278 5.039 0.000) 5.047 56.475 ( 0.068 0.093 -0.000) 0.116 56.475 ( 0.030 0.099 0.000) 0.104 57.044 ( 0.094 -0.109 0.000) 0.144 57.046 ( -0.071 -0.078 0.000) 0.105 57.873 ( 0.284 0.755 0.000) 0.807 57.881 ( -0.424 0.926 0.000) 1.018 59.725 ( 0.920 -0.908 0.000) 1.293 59.748 ( -1.044 -1.064 0.000) 1.491 59.793 ( 0.957 1.034 0.000) 1.409 59.811 ( -0.628 0.788 0.000) 1.008 63.341 ( 0.246 0.184 0.000) 0.307 63.349 ( -0.485 0.506 0.000) 0.701 63.374 ( 0.546 -0.475 0.000) 0.723 63.383 ( -0.241 -0.139 -0.000) 0.278 64.591 ( 0.200 -0.622 0.000) 0.653 64.608 ( -1.398 -0.397 0.000) 1.453 64.690 ( 1.133 -0.001 0.000) 1.133 64.708 ( -0.487 0.230 0.000) 0.538 ======================= Grid point 149 (36/36) ======================= q-point: ( 0.40 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.45e-05 7.45e-05 7.45e-05 7.45e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 3.714 3.714 0.000) 5.252 2.067 ( -0.230 -0.230 0.000) 0.326 2.152 ( 2.788 2.788 0.000) 3.942 2.214 ( 5.758 5.758 -0.000) 8.144 2.217 ( -1.440 -1.440 0.000) 2.037 2.285 ( 2.788 2.788 -0.000) 3.943 2.335 ( -0.206 -0.206 0.000) 0.291 2.385 ( -5.314 -5.314 0.000) 7.515 2.497 ( -0.958 -0.958 0.000) 1.354 2.513 ( -1.845 -1.845 0.000) 2.609 2.582 ( -5.584 -5.584 0.000) 7.897 2.590 ( -6.342 -6.342 -0.000) 8.969 2.605 ( -1.117 -1.117 -0.000) 1.579 2.610 ( -1.526 -1.526 0.000) 2.158 2.837 ( 3.445 3.445 -0.000) 4.872 2.890 ( -0.824 -0.824 0.000) 1.165 3.270 ( 5.332 5.332 0.000) 7.541 3.301 ( 2.511 2.511 0.000) 3.550 3.358 ( 2.224 2.224 0.000) 3.146 3.380 ( -0.517 -0.517 0.000) 0.731 3.459 ( -1.705 -1.705 0.000) 2.412 3.486 ( -3.569 -3.569 0.000) 5.048 3.724 ( 1.560 1.560 0.000) 2.206 3.747 ( 0.144 0.144 0.000) 0.204 3.865 ( 3.049 3.049 0.000) 4.312 3.927 ( -1.238 -1.238 0.000) 1.751 4.154 ( 6.116 6.116 0.000) 8.649 4.197 ( -0.502 -0.502 0.000) 0.710 4.286 ( -7.269 -7.269 0.000) 10.279 4.311 ( 3.395 3.395 0.000) 4.802 4.342 ( -9.614 -9.614 0.000) 13.596 4.361 ( 1.057 1.057 0.000) 1.495 4.586 ( 3.738 3.738 0.000) 5.286 4.727 ( -6.770 -6.770 0.000) 9.574 5.180 ( 3.999 3.999 -0.000) 5.656 5.193 ( 6.049 6.049 0.000) 8.555 5.311 ( -5.982 -5.982 0.000) 8.460 5.314 ( -4.344 -4.344 -0.000) 6.143 5.347 ( 1.525 1.525 0.000) 2.157 5.400 ( -2.077 -2.077 0.000) 2.938 5.917 ( 12.957 12.957 0.000) 18.324 6.048 ( 5.517 5.517 0.000) 7.802 6.351 ( 0.154 0.154 -0.000) 0.218 6.367 ( -0.400 -0.400 0.000) 0.565 6.371 ( -1.043 -1.043 0.000) 1.475 6.537 ( -10.929 -10.929 0.000) 15.456 7.019 ( 3.777 3.777 0.000) 5.342 7.070 ( -0.897 -0.897 0.000) 1.268 10.987 ( -0.077 -0.077 -0.000) 0.108 10.989 ( -0.178 -0.178 0.000) 0.251 11.079 ( 0.263 0.263 0.000) 0.372 11.080 ( 0.140 0.140 0.000) 0.199 12.362 ( 0.322 0.322 0.000) 0.456 12.382 ( -1.503 -1.503 0.000) 2.126 12.503 ( 1.646 1.646 0.000) 2.328 12.523 ( -0.149 -0.149 0.000) 0.211 14.473 ( -0.216 -0.216 0.000) 0.305 14.473 ( -0.270 -0.270 -0.000) 0.382 14.582 ( 0.061 0.061 0.000) 0.086 14.583 ( -0.009 -0.009 0.000) 0.013 18.242 ( 0.131 0.131 0.000) 0.185 18.245 ( -0.154 -0.154 0.000) 0.217 18.307 ( 0.565 0.565 0.000) 0.799 18.311 ( 0.184 0.184 0.000) 0.260 18.513 ( -0.286 -0.286 -0.000) 0.405 18.514 ( -0.328 -0.328 0.000) 0.464 18.557 ( -0.094 -0.094 0.000) 0.133 18.557 ( -0.134 -0.134 0.000) 0.190 19.467 ( 0.190 0.190 0.000) 0.268 19.471 ( 0.149 0.149 0.000) 0.210 19.473 ( -0.212 -0.212 0.000) 0.300 19.477 ( -0.280 -0.280 0.000) 0.395 22.560 ( -0.067 -0.067 -0.000) 0.095 22.561 ( -0.090 -0.090 0.000) 0.127 22.588 ( 0.076 0.076 0.000) 0.108 22.591 ( -0.169 -0.169 0.000) 0.239 22.712 ( 0.966 0.966 0.000) 1.366 22.729 ( 0.033 0.033 0.000) 0.047 22.746 ( 0.022 0.022 0.000) 0.031 22.761 ( -0.792 -0.792 0.000) 1.119 22.863 ( 0.149 0.149 0.000) 0.211 22.871 ( -0.533 -0.533 0.000) 0.753 23.027 ( 0.348 0.348 0.000) 0.492 23.034 ( -0.260 -0.260 0.000) 0.367 23.770 ( 0.237 0.237 0.000) 0.335 23.778 ( -0.442 -0.442 0.000) 0.625 23.974 ( 0.495 0.495 0.000) 0.700 23.981 ( -0.097 -0.097 -0.000) 0.137 24.689 ( 0.012 0.012 0.000) 0.017 24.690 ( -0.075 -0.075 0.000) 0.106 24.705 ( -0.015 -0.015 -0.000) 0.022 24.706 ( -0.103 -0.103 0.000) 0.145 25.387 ( -0.007 -0.007 0.000) 0.010 25.390 ( -0.308 -0.308 0.000) 0.435 25.438 ( 0.419 0.419 0.000) 0.593 25.440 ( 0.205 0.205 0.000) 0.290 29.900 ( 0.025 0.025 0.000) 0.036 29.901 ( -0.014 -0.014 0.000) 0.020 29.923 ( 0.078 0.078 0.000) 0.110 29.923 ( 0.015 0.015 0.000) 0.021 30.115 ( 0.006 0.006 0.000) 0.008 30.115 ( -0.013 -0.013 0.000) 0.018 30.234 ( -0.037 -0.037 -0.000) 0.053 30.235 ( -0.053 -0.053 0.000) 0.075 46.643 ( 4.216 4.216 -0.000) 5.962 46.766 ( -6.634 -6.634 0.000) 9.382 47.094 ( 6.956 6.956 0.000) 9.837 47.214 ( -3.627 -3.627 0.000) 5.129 55.519 ( -1.291 -1.291 0.000) 1.825 55.546 ( -3.700 -3.700 0.000) 5.233 55.912 ( 0.228 0.228 0.000) 0.323 55.921 ( -0.610 -0.610 0.000) 0.862 56.155 ( 3.273 3.273 0.000) 4.629 56.175 ( 1.472 1.472 0.000) 2.082 56.477 ( 0.064 0.064 -0.000) 0.090 56.477 ( 0.044 0.044 0.000) 0.063 57.043 ( -0.003 -0.003 0.000) 0.004 57.044 ( -0.097 -0.097 0.000) 0.138 57.891 ( 0.728 0.728 0.000) 1.030 57.896 ( 0.288 0.288 0.000) 0.407 59.715 ( 0.013 0.013 0.000) 0.018 59.725 ( -0.885 -0.885 0.000) 1.252 59.813 ( 0.723 0.723 0.000) 1.023 59.820 ( 0.058 0.058 0.000) 0.083 63.349 ( 0.469 0.469 0.000) 0.664 63.358 ( -0.120 -0.120 0.000) 0.170 63.366 ( 0.161 0.161 0.000) 0.228 63.376 ( -0.463 -0.463 -0.000) 0.655 64.584 ( 0.071 0.071 0.000) 0.100 64.593 ( -0.745 -0.745 0.000) 1.053 64.697 ( 0.509 0.509 0.000) 0.720 64.707 ( -0.320 -0.320 0.000) 0.453 =================== 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 3/33000 10.0 247.131 247.131 220.192 -0.000 -0.000 0.000 3/33000 20.0 63.590 63.590 63.464 -0.000 -0.000 0.000 3/33000 30.0 27.307 27.307 29.561 -0.000 -0.000 0.000 3/33000 40.0 15.540 15.540 17.615 0.000 -0.000 0.000 3/33000 50.0 10.426 10.426 12.165 0.000 -0.000 0.000 3/33000 60.0 7.749 7.749 9.215 0.000 -0.000 0.000 3/33000 70.0 6.151 6.151 7.411 0.000 -0.000 0.000 3/33000 80.0 5.101 5.101 6.204 0.000 -0.000 0.000 3/33000 90.0 4.359 4.359 5.341 0.000 -0.000 0.000 3/33000 100.0 3.808 3.808 4.692 0.000 -0.000 0.000 3/33000 110.0 3.381 3.381 4.187 0.000 -0.000 0.000 3/33000 120.0 3.040 3.040 3.782 0.000 -0.000 0.000 3/33000 130.0 2.762 2.762 3.449 0.000 -0.000 0.000 3/33000 140.0 2.530 2.530 3.170 0.000 -0.000 0.000 3/33000 150.0 2.334 2.334 2.934 0.000 -0.000 0.000 3/33000 160.0 2.165 2.165 2.731 0.000 -0.000 0.000 3/33000 170.0 2.019 2.019 2.554 0.000 -0.000 0.000 3/33000 180.0 1.891 1.891 2.399 0.000 -0.000 0.000 3/33000 190.0 1.778 1.778 2.262 0.000 -0.000 0.000 3/33000 200.0 1.678 1.678 2.139 0.000 -0.000 0.000 3/33000 210.0 1.588 1.588 2.030 0.000 -0.000 0.000 3/33000 220.0 1.507 1.507 1.931 0.000 -0.000 0.000 3/33000 230.0 1.435 1.435 1.842 0.000 -0.000 0.000 3/33000 240.0 1.368 1.368 1.761 0.000 -0.000 0.000 3/33000 250.0 1.308 1.308 1.687 0.000 -0.000 0.000 3/33000 260.0 1.253 1.253 1.619 0.000 -0.000 0.000 3/33000 270.0 1.202 1.202 1.556 0.000 -0.000 0.000 3/33000 280.0 1.155 1.155 1.498 0.000 -0.000 0.000 3/33000 290.0 1.112 1.112 1.445 0.000 -0.000 0.000 3/33000 300.0 1.072 1.072 1.395 0.000 -0.000 0.000 3/33000 310.0 1.035 1.035 1.349 0.000 -0.000 0.000 3/33000 320.0 1.000 1.000 1.306 0.000 -0.000 0.000 3/33000 330.0 0.968 0.968 1.266 0.000 -0.000 0.000 3/33000 340.0 0.938 0.938 1.229 0.000 -0.000 0.000 3/33000 350.0 0.910 0.910 1.193 0.000 -0.000 0.000 3/33000 360.0 0.884 0.884 1.160 0.000 -0.000 0.000 3/33000 370.0 0.859 0.859 1.129 0.000 -0.000 0.000 3/33000 380.0 0.835 0.835 1.100 0.000 -0.000 0.000 3/33000 390.0 0.813 0.813 1.072 0.000 -0.000 0.000 3/33000 400.0 0.793 0.793 1.046 0.000 -0.000 0.000 3/33000 410.0 0.773 0.773 1.021 0.000 -0.000 0.000 3/33000 420.0 0.754 0.754 0.998 0.000 -0.000 0.000 3/33000 430.0 0.737 0.737 0.976 -0.000 -0.000 0.000 3/33000 440.0 0.720 0.720 0.954 -0.000 -0.000 0.000 3/33000 450.0 0.704 0.704 0.934 -0.000 -0.000 0.000 3/33000 460.0 0.689 0.689 0.915 -0.000 -0.000 0.000 3/33000 470.0 0.675 0.675 0.897 -0.000 -0.000 0.000 3/33000 480.0 0.661 0.661 0.879 -0.000 -0.000 0.000 3/33000 490.0 0.648 0.648 0.863 -0.000 -0.000 0.000 3/33000 500.0 0.635 0.635 0.847 -0.000 -0.000 0.000 3/33000 510.0 0.623 0.623 0.831 -0.000 -0.000 0.000 3/33000 520.0 0.611 0.611 0.817 -0.000 -0.000 0.000 3/33000 530.0 0.600 0.600 0.803 -0.000 -0.000 0.000 3/33000 540.0 0.590 0.590 0.789 -0.000 -0.000 0.000 3/33000 550.0 0.580 0.580 0.776 -0.000 -0.000 0.000 3/33000 560.0 0.570 0.570 0.764 -0.000 -0.000 0.000 3/33000 570.0 0.560 0.560 0.752 -0.000 -0.000 0.000 3/33000 580.0 0.551 0.551 0.740 -0.000 -0.000 0.000 3/33000 590.0 0.543 0.543 0.729 -0.000 -0.000 0.000 3/33000 600.0 0.534 0.534 0.718 -0.000 -0.000 0.000 3/33000 610.0 0.526 0.526 0.708 -0.000 -0.000 0.000 3/33000 620.0 0.518 0.518 0.698 -0.000 -0.000 0.000 3/33000 630.0 0.510 0.510 0.688 -0.000 -0.000 0.000 3/33000 640.0 0.503 0.503 0.679 -0.000 -0.000 0.000 3/33000 650.0 0.496 0.496 0.670 -0.000 -0.000 0.000 3/33000 660.0 0.489 0.489 0.661 -0.000 -0.000 0.000 3/33000 670.0 0.482 0.482 0.652 -0.000 -0.000 0.000 3/33000 680.0 0.476 0.476 0.644 -0.000 -0.000 0.000 3/33000 690.0 0.470 0.470 0.636 -0.000 -0.000 0.000 3/33000 700.0 0.464 0.464 0.628 -0.000 -0.000 0.000 3/33000 710.0 0.458 0.458 0.620 -0.000 -0.000 0.000 3/33000 720.0 0.452 0.452 0.613 -0.000 -0.000 0.000 3/33000 730.0 0.446 0.446 0.606 -0.000 -0.000 0.000 3/33000 740.0 0.441 0.441 0.599 -0.000 -0.000 0.000 3/33000 750.0 0.435 0.435 0.592 -0.000 -0.000 0.000 3/33000 760.0 0.430 0.430 0.585 -0.000 -0.000 0.000 3/33000 770.0 0.425 0.425 0.579 -0.000 -0.000 0.000 3/33000 780.0 0.420 0.420 0.572 -0.000 -0.000 0.000 3/33000 790.0 0.416 0.416 0.566 -0.000 -0.000 0.000 3/33000 800.0 0.411 0.411 0.560 -0.000 -0.000 0.000 3/33000 810.0 0.406 0.406 0.554 -0.000 -0.000 0.000 3/33000 820.0 0.402 0.402 0.548 -0.000 -0.000 0.000 3/33000 830.0 0.398 0.398 0.543 -0.000 -0.000 0.000 3/33000 840.0 0.393 0.393 0.537 -0.000 -0.000 0.000 3/33000 850.0 0.389 0.389 0.532 -0.000 -0.000 0.000 3/33000 860.0 0.385 0.385 0.527 -0.000 -0.000 0.000 3/33000 870.0 0.381 0.381 0.521 -0.000 -0.000 0.000 3/33000 880.0 0.377 0.377 0.516 -0.000 -0.000 0.000 3/33000 890.0 0.374 0.374 0.511 -0.000 -0.000 0.000 3/33000 900.0 0.370 0.370 0.507 -0.000 -0.000 0.000 3/33000 910.0 0.366 0.366 0.502 -0.000 -0.000 0.000 3/33000 920.0 0.363 0.363 0.497 -0.000 -0.000 0.000 3/33000 930.0 0.359 0.359 0.493 -0.000 -0.000 0.000 3/33000 940.0 0.356 0.356 0.488 -0.000 -0.000 0.000 3/33000 950.0 0.353 0.353 0.484 -0.000 -0.000 0.000 3/33000 960.0 0.349 0.349 0.480 -0.000 -0.000 0.000 3/33000 970.0 0.346 0.346 0.475 -0.000 -0.000 0.000 3/33000 980.0 0.343 0.343 0.471 -0.000 -0.000 0.000 3/33000 990.0 0.340 0.340 0.467 -0.000 -0.000 0.000 3/33000 1000.0 0.337 0.337 0.463 -0.000 -0.000 0.000 3/33000 Thermal conductivity related properties were written into "kappa-m5510.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:37:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|