----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:20:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/m (84) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.986838430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.986838430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.342603739999999 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 2 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 *3 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 4 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 *5 K 0.50000000000000 0.00000000000000 0.15043999246742 39.098 6 K 0.00000000000000 0.50000000000000 0.65043999246742 39.098 7 K 0.50000000000000 0.00000000000000 0.84956000753258 39.098 8 K 0.00000000000000 0.50000000000000 0.34956000753258 39.098 *9 Na 0.86369366517690 0.82874429833010 0.00000000000000 22.990 10 Na 0.13630633482310 0.17125570166990 0.00000000000000 22.990 11 Na 0.17125570166990 0.86369366517690 0.50000000000000 22.990 12 Na 0.82874429833010 0.13630633482310 0.50000000000000 22.990 *13 H 0.66404351936526 0.65151657795012 0.22030583328636 1.008 14 H 0.33595648063474 0.34848342204988 0.22030583328636 1.008 15 H 0.34848342204988 0.66404351936526 0.72030583328636 1.008 16 H 0.65151657795012 0.33595648063474 0.72030583328636 1.008 17 H 0.33595648063474 0.34848342204988 0.77969416671364 1.008 18 H 0.66404351936526 0.65151657795012 0.77969416671364 1.008 19 H 0.65151657795012 0.33595648063474 0.27969416671364 1.008 20 H 0.34848342204988 0.66404351936526 0.27969416671364 1.008 *21 H 0.83232478529538 0.55640666123949 0.14875209460532 1.008 22 H 0.16767521470462 0.44359333876051 0.14875209460532 1.008 23 H 0.44359333876051 0.83232478529538 0.64875209460532 1.008 24 H 0.55640666123949 0.16767521470462 0.64875209460532 1.008 25 H 0.16767521470462 0.44359333876051 0.85124790539468 1.008 26 H 0.83232478529538 0.55640666123949 0.85124790539468 1.008 27 H 0.55640666123949 0.16767521470462 0.35124790539468 1.008 28 H 0.44359333876051 0.83232478529538 0.35124790539468 1.008 *29 H 0.20666054319488 0.74825211976757 0.06552997432011 1.008 30 H 0.79333945680512 0.25174788023243 0.06552997432011 1.008 31 H 0.25174788023243 0.20666054319488 0.56552997432011 1.008 32 H 0.74825211976757 0.79333945680512 0.56552997432011 1.008 33 H 0.79333945680512 0.25174788023243 0.93447002567989 1.008 34 H 0.20666054319488 0.74825211976757 0.93447002567989 1.008 35 H 0.74825211976757 0.79333945680512 0.43447002567989 1.008 36 H 0.25174788023243 0.20666054319488 0.43447002567989 1.008 *37 N 0.22481772805145 0.83887078518712 0.00000000000000 14.007 38 N 0.77518227194856 0.16112921481288 0.00000000000000 14.007 39 N 0.16112921481288 0.22481772805145 0.50000000000000 14.007 40 N 0.83887078518712 0.77518227194856 0.50000000000000 14.007 *41 N 0.76894263151220 0.68725110479265 0.16478824399684 14.007 42 N 0.23105736848780 0.31274889520735 0.16478824399684 14.007 43 N 0.31274889520735 0.76894263151220 0.66478824399684 14.007 44 N 0.68725110479265 0.23105736848780 0.66478824399684 14.007 45 N 0.23105736848780 0.31274889520735 0.83521175600316 14.007 46 N 0.76894263151220 0.68725110479265 0.83521175600316 14.007 47 N 0.68725110479265 0.23105736848780 0.33521175600316 14.007 48 N 0.31274889520735 0.76894263151220 0.33521175600316 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.986838430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.986838430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.342603739999999 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 > 1 2 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 > 2 *3 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 3 4 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 4 *5 K 0.50000000000000 0.00000000000000 0.15043999246742 39.098 > 5 6 K 0.00000000000000 0.50000000000000 0.65043999246742 39.098 > 6 7 K 0.50000000000000 0.00000000000000 0.84956000753258 39.098 > 7 8 K 0.00000000000000 0.50000000000000 0.34956000753258 39.098 > 8 *9 Na 0.86369366517690 0.82874429833010 0.00000000000000 22.990 > 9 10 Na 0.13630633482310 0.17125570166990 0.00000000000000 22.990 > 10 11 Na 0.17125570166990 0.86369366517690 0.50000000000000 22.990 > 11 12 Na 0.82874429833010 0.13630633482310 0.50000000000000 22.990 > 12 *13 H 0.66404351936526 0.65151657795012 0.22030583328636 1.008 > 13 14 H 0.33595648063474 0.34848342204988 0.22030583328636 1.008 > 14 15 H 0.34848342204988 0.66404351936526 0.72030583328636 1.008 > 15 16 H 0.65151657795012 0.33595648063474 0.72030583328636 1.008 > 16 17 H 0.33595648063474 0.34848342204988 0.77969416671364 1.008 > 17 18 H 0.66404351936526 0.65151657795012 0.77969416671364 1.008 > 18 19 H 0.65151657795012 0.33595648063474 0.27969416671364 1.008 > 19 20 H 0.34848342204988 0.66404351936526 0.27969416671364 1.008 > 20 *21 H 0.83232478529538 0.55640666123949 0.14875209460532 1.008 > 21 22 H 0.16767521470462 0.44359333876051 0.14875209460532 1.008 > 22 23 H 0.44359333876051 0.83232478529538 0.64875209460532 1.008 > 23 24 H 0.55640666123949 0.16767521470462 0.64875209460532 1.008 > 24 25 H 0.16767521470462 0.44359333876051 0.85124790539468 1.008 > 25 26 H 0.83232478529538 0.55640666123949 0.85124790539468 1.008 > 26 27 H 0.55640666123949 0.16767521470462 0.35124790539468 1.008 > 27 28 H 0.44359333876051 0.83232478529538 0.35124790539468 1.008 > 28 *29 H 0.20666054319488 0.74825211976757 0.06552997432011 1.008 > 29 30 H 0.79333945680512 0.25174788023243 0.06552997432011 1.008 > 30 31 H 0.25174788023243 0.20666054319488 0.56552997432011 1.008 > 31 32 H 0.74825211976757 0.79333945680512 0.56552997432011 1.008 > 32 33 H 0.79333945680512 0.25174788023243 0.93447002567989 1.008 > 33 34 H 0.20666054319488 0.74825211976757 0.93447002567989 1.008 > 34 35 H 0.74825211976757 0.79333945680512 0.43447002567989 1.008 > 35 36 H 0.25174788023243 0.20666054319488 0.43447002567989 1.008 > 36 *37 N 0.22481772805145 0.83887078518712 0.00000000000000 14.007 > 37 38 N 0.77518227194856 0.16112921481288 0.00000000000000 14.007 > 38 39 N 0.16112921481288 0.22481772805145 0.50000000000000 14.007 > 39 40 N 0.83887078518712 0.77518227194856 0.50000000000000 14.007 > 40 *41 N 0.76894263151220 0.68725110479265 0.16478824399684 14.007 > 41 42 N 0.23105736848780 0.31274889520735 0.16478824399684 14.007 > 42 43 N 0.31274889520735 0.76894263151220 0.66478824399684 14.007 > 43 44 N 0.68725110479265 0.23105736848780 0.66478824399684 14.007 > 44 45 N 0.23105736848780 0.31274889520735 0.83521175600316 14.007 > 45 46 N 0.76894263151220 0.68725110479265 0.83521175600316 14.007 > 46 47 N 0.68725110479265 0.23105736848780 0.33521175600316 14.007 > 47 48 N 0.31274889520735 0.76894263151220 0.33521175600316 14.007 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.986838430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.986838430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.342603739999999 Atomic positions (fractional): *1 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 > 1 2 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 > 2 *3 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 3 4 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 4 *5 K 0.50000000000000 0.00000000000000 0.15043999246742 39.098 > 5 6 K 0.00000000000000 0.50000000000000 0.65043999246742 39.098 > 6 7 K 0.50000000000000 0.00000000000000 0.84956000753258 39.098 > 7 8 K 0.00000000000000 0.50000000000000 0.34956000753258 39.098 > 8 *9 Na 0.86369366517690 0.82874429833010 0.00000000000000 22.990 > 9 10 Na 0.13630633482310 0.17125570166990 0.00000000000000 22.990 > 10 11 Na 0.17125570166990 0.86369366517690 0.50000000000000 22.990 > 11 12 Na 0.82874429833010 0.13630633482310 0.50000000000000 22.990 > 12 *13 H 0.66404351936526 0.65151657795012 0.22030583328636 1.008 > 13 14 H 0.33595648063474 0.34848342204988 0.22030583328636 1.008 > 14 15 H 0.34848342204988 0.66404351936526 0.72030583328636 1.008 > 15 16 H 0.65151657795012 0.33595648063474 0.72030583328636 1.008 > 16 17 H 0.33595648063474 0.34848342204988 0.77969416671364 1.008 > 17 18 H 0.66404351936526 0.65151657795012 0.77969416671364 1.008 > 18 19 H 0.65151657795012 0.33595648063474 0.27969416671364 1.008 > 19 20 H 0.34848342204988 0.66404351936526 0.27969416671364 1.008 > 20 *21 H 0.83232478529538 0.55640666123949 0.14875209460532 1.008 > 21 22 H 0.16767521470462 0.44359333876051 0.14875209460532 1.008 > 22 23 H 0.44359333876051 0.83232478529538 0.64875209460532 1.008 > 23 24 H 0.55640666123949 0.16767521470462 0.64875209460532 1.008 > 24 25 H 0.16767521470462 0.44359333876051 0.85124790539468 1.008 > 25 26 H 0.83232478529538 0.55640666123949 0.85124790539468 1.008 > 26 27 H 0.55640666123949 0.16767521470462 0.35124790539468 1.008 > 27 28 H 0.44359333876051 0.83232478529538 0.35124790539468 1.008 > 28 *29 H 0.20666054319488 0.74825211976757 0.06552997432011 1.008 > 29 30 H 0.79333945680512 0.25174788023243 0.06552997432011 1.008 > 30 31 H 0.25174788023243 0.20666054319488 0.56552997432011 1.008 > 31 32 H 0.74825211976757 0.79333945680512 0.56552997432011 1.008 > 32 33 H 0.79333945680512 0.25174788023243 0.93447002567989 1.008 > 33 34 H 0.20666054319488 0.74825211976757 0.93447002567989 1.008 > 34 35 H 0.74825211976757 0.79333945680512 0.43447002567989 1.008 > 35 36 H 0.25174788023243 0.20666054319488 0.43447002567989 1.008 > 36 *37 N 0.22481772805145 0.83887078518712 0.00000000000000 14.007 > 37 38 N 0.77518227194856 0.16112921481288 0.00000000000000 14.007 > 38 39 N 0.16112921481288 0.22481772805145 0.50000000000000 14.007 > 39 40 N 0.83887078518712 0.77518227194856 0.50000000000000 14.007 > 40 *41 N 0.76894263151220 0.68725110479265 0.16478824399684 14.007 > 41 42 N 0.23105736848780 0.31274889520735 0.16478824399684 14.007 > 42 43 N 0.31274889520735 0.76894263151220 0.66478824399684 14.007 > 43 44 N 0.68725110479265 0.23105736848780 0.66478824399684 14.007 > 44 45 N 0.23105736848780 0.31274889520735 0.83521175600316 14.007 > 45 46 N 0.76894263151220 0.68725110479265 0.83521175600316 14.007 > 46 47 N 0.68725110479265 0.23105736848780 0.33521175600316 14.007 > 47 48 N 0.31274889520735 0.76894263151220 0.33521175600316 14.007 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7076839 -0.0000000 0.0000000 0.0000000 2.7076839 0.0000000 0.0000000 0.0000000 2.6411551 -------------------------- Born effective charges -------------------------- 1 K 1.1339935 -0.0183811 0.0000000 0.0183811 1.1339935 0.0000000 0.0000000 0.0000000 1.0470268 2 K 1.1339935 -0.0183811 0.0000000 0.0183811 1.1339935 0.0000000 0.0000000 0.0000000 1.0470268 3 K 0.9898775 0.0096486 0.0000000 -0.0105639 1.0414661 0.0000000 0.0000000 0.0000000 1.0387321 4 K 1.0414661 0.0105639 0.0000000 -0.0096486 0.9898775 0.0000000 0.0000000 0.0000000 1.0387321 5 K 1.1011967 -0.0545878 0.0000000 -0.0564393 1.1467757 0.0000000 0.0000000 0.0000000 1.0574410 6 K 1.1467757 0.0564393 0.0000000 0.0545878 1.1011967 0.0000000 0.0000000 0.0000000 1.0574410 7 K 1.1011967 -0.0545878 0.0000000 -0.0564393 1.1467757 0.0000000 0.0000000 0.0000000 1.0574410 8 K 1.1467757 0.0564393 0.0000000 0.0545878 1.1011967 0.0000000 0.0000000 0.0000000 1.0574410 9 Na 0.9152414 0.0132794 0.0000000 0.0009457 0.9475674 0.0000000 0.0000000 0.0000000 0.9871101 10 Na 0.9152414 0.0132794 0.0000000 0.0009457 0.9475674 0.0000000 0.0000000 0.0000000 0.9871101 11 Na 0.9475674 -0.0009457 0.0000000 -0.0132794 0.9152414 0.0000000 0.0000000 0.0000000 0.9871101 12 Na 0.9475674 -0.0009457 0.0000000 -0.0132794 0.9152414 0.0000000 0.0000000 0.0000000 0.9871101 13 H 0.0507221 -0.1341224 0.1814355 -0.1242471 0.1180276 0.1310971 0.1842083 0.1177482 0.0382958 14 H 0.0507221 -0.1341224 -0.1814355 -0.1242471 0.1180276 -0.1310971 -0.1842083 -0.1177482 0.0382958 15 H 0.1180276 0.1242471 -0.1310971 0.1341224 0.0507221 0.1814355 -0.1177482 0.1842083 0.0382958 16 H 0.1180276 0.1242471 0.1310971 0.1341224 0.0507221 -0.1814355 0.1177482 -0.1842083 0.0382958 17 H 0.0507221 -0.1341224 0.1814355 -0.1242471 0.1180276 0.1310971 0.1842083 0.1177482 0.0382958 18 H 0.0507221 -0.1341224 -0.1814355 -0.1242471 0.1180276 -0.1310971 -0.1842083 -0.1177482 0.0382958 19 H 0.1180276 0.1242471 -0.1310971 0.1341224 0.0507221 0.1814355 -0.1177482 0.1842083 0.0382958 20 H 0.1180276 0.1242471 0.1310971 0.1341224 0.0507221 -0.1814355 0.1177482 -0.1842083 0.0382958 21 H 0.1924077 0.1569335 0.0942913 0.1535352 -0.2319759 -0.0208225 0.0690908 -0.0389065 0.2229532 22 H 0.1924077 0.1569335 -0.0942913 0.1535352 -0.2319759 0.0208225 -0.0690908 0.0389065 0.2229532 23 H -0.2319759 -0.1535352 0.0208225 -0.1569335 0.1924077 0.0942913 0.0389065 0.0690908 0.2229532 24 H -0.2319759 -0.1535352 -0.0208225 -0.1569335 0.1924077 -0.0942913 -0.0389065 -0.0690908 0.2229532 25 H 0.1924077 0.1569335 0.0942913 0.1535352 -0.2319759 -0.0208225 0.0690908 -0.0389065 0.2229532 26 H 0.1924077 0.1569335 -0.0942913 0.1535352 -0.2319759 0.0208225 -0.0690908 0.0389065 0.2229532 27 H -0.2319759 -0.1535352 0.0208225 -0.1569335 0.1924077 0.0942913 0.0389065 0.0690908 0.2229532 28 H -0.2319759 -0.1535352 -0.0208225 -0.1569335 0.1924077 -0.0942913 -0.0389065 -0.0690908 0.2229532 29 H 0.2649017 -0.0610149 0.0283192 -0.0614094 -0.0340634 0.1895186 0.0518601 0.2099719 0.0113515 30 H 0.2649017 -0.0610149 -0.0283192 -0.0614094 -0.0340634 -0.1895186 -0.0518601 -0.2099719 0.0113515 31 H -0.0340634 0.0614094 -0.1895186 0.0610149 0.2649017 0.0283192 -0.2099719 0.0518601 0.0113515 32 H -0.0340634 0.0614094 0.1895186 0.0610149 0.2649017 -0.0283192 0.2099719 -0.0518601 0.0113515 33 H 0.2649017 -0.0610149 0.0283192 -0.0614094 -0.0340634 0.1895186 0.0518601 0.2099719 0.0113515 34 H 0.2649017 -0.0610149 -0.0283192 -0.0614094 -0.0340634 -0.1895186 -0.0518601 -0.2099719 0.0113515 35 H -0.0340634 0.0614094 -0.1895186 0.0610149 0.2649017 0.0283192 -0.2099719 0.0518601 0.0113515 36 H -0.0340634 0.0614094 0.1895186 0.0610149 0.2649017 -0.0283192 0.2099719 -0.0518601 0.0113515 37 N -1.4946856 0.1420734 0.0000000 0.1089981 -0.9667831 0.0000000 0.0000000 0.0000000 -1.0848476 38 N -1.4946856 0.1420734 0.0000000 0.1089981 -0.9667831 0.0000000 0.0000000 0.0000000 -1.0848476 39 N -0.9667831 -0.1089981 0.0000000 -0.1420734 -1.4946856 0.0000000 0.0000000 0.0000000 -1.0848476 40 N -0.9667831 -0.1089981 0.0000000 -0.1420734 -1.4946856 0.0000000 0.0000000 0.0000000 -1.0848476 41 N -1.2729268 -0.0240189 -0.2523495 -0.0106085 -0.9865818 -0.0840321 -0.2326120 -0.0885223 -1.2738919 42 N -1.2729268 -0.0240189 0.2523495 -0.0106085 -0.9865818 0.0840321 0.2326120 0.0885223 -1.2738919 43 N -0.9865818 0.0106085 0.0840321 0.0240189 -1.2729268 -0.2523495 0.0885223 -0.2326120 -1.2738919 44 N -0.9865818 0.0106085 -0.0840321 0.0240189 -1.2729268 0.2523495 -0.0885223 0.2326120 -1.2738919 45 N -1.2729268 -0.0240189 -0.2523495 -0.0106085 -0.9865818 -0.0840321 -0.2326120 -0.0885223 -1.2738919 46 N -1.2729268 -0.0240189 0.2523495 -0.0106085 -0.9865818 0.0840321 0.2326120 0.0885223 -1.2738919 47 N -0.9865818 0.0106085 0.0840321 0.0240189 -1.2729268 -0.2523495 0.0885223 -0.2326120 -1.2738919 48 N -0.9865818 0.0106085 -0.0840321 0.0240189 -1.2729268 0.2523495 -0.0885223 0.2326120 -1.2738919 ---------------------------------------------------------------------------- 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: 144/144 Permutation basis: 10296/10296 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1343 Number of blocks in projector: 1343 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: 536 Use submatrix version of eigh solver. (1) Block: 536 / 536 (2) Block: 250 / 536 (2) 234 eigenvectors found. (2) Block: 536 / 536 (2) 270 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 333 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 305 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 169 Use standard eigh solver. Tree of FC basis block matrices: - (1343, 1285), data: False |-- (169, 160), data: True |-- (305, 289), data: True |-- (333, 316), data: True |-- (536, 520), data: False |-- (536, 520), data: False |-- (536, 16), data: (536, 32) @ (32, 16) |-- (286, 270), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 48 / 48 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 720 - Time: 0.728 Solver_block: 200 / 720 - Time: 0.722 Solver_block: 300 / 720 - Time: 0.720 Solver_block: 400 / 720 - Time: 0.721 Solver_block: 500 / 720 - Time: 0.721 Solver_block: 600 / 720 - Time: 0.720 Solver_block: 700 / 720 - Time: 0.721 Solver_block: 720 / 720 - Time: 0.175 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.256 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 144/144 Permutation basis: 10296/10296 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1343 Number of blocks in projector: 1343 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: 536 Use submatrix version of eigh solver. (1) Block: 536 / 536 (2) Block: 250 / 536 (2) 234 eigenvectors found. (2) Block: 536 / 536 (2) 270 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 4 --- Block_size: 333 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 305 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 169 Use standard eigh solver. Tree of FC basis block matrices: - (1343, 1285), data: False |-- (169, 160), data: True |-- (305, 289), data: True |-- (333, 316), data: True |-- (536, 520), data: False |-- (536, 520), data: False |-- (536, 16), data: (536, 32) @ (32, 16) |-- (286, 270), data: True |-- (250, 234), 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 04:20:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:20:53]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/m (84) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.986838430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.986838430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.342603739999999 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 2 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 3 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 4 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 5 K 0.50000000000000 0.00000000000000 0.15043999246742 39.098 6 K 0.00000000000000 0.50000000000000 0.65043999246742 39.098 7 K 0.50000000000000 0.00000000000000 0.84956000753258 39.098 8 K 0.00000000000000 0.50000000000000 0.34956000753258 39.098 9 Na 0.86369366517690 0.82874429833010 0.00000000000000 22.990 10 Na 0.13630633482310 0.17125570166990 0.00000000000000 22.990 11 Na 0.17125570166990 0.86369366517690 0.50000000000000 22.990 12 Na 0.82874429833010 0.13630633482310 0.50000000000000 22.990 13 H 0.66404351936526 0.65151657795012 0.22030583328636 1.008 14 H 0.33595648063474 0.34848342204988 0.22030583328636 1.008 15 H 0.34848342204988 0.66404351936526 0.72030583328636 1.008 16 H 0.65151657795012 0.33595648063474 0.72030583328636 1.008 17 H 0.33595648063474 0.34848342204988 0.77969416671364 1.008 18 H 0.66404351936526 0.65151657795012 0.77969416671364 1.008 19 H 0.65151657795012 0.33595648063474 0.27969416671364 1.008 20 H 0.34848342204988 0.66404351936526 0.27969416671364 1.008 21 H 0.83232478529538 0.55640666123949 0.14875209460532 1.008 22 H 0.16767521470462 0.44359333876051 0.14875209460532 1.008 23 H 0.44359333876051 0.83232478529538 0.64875209460532 1.008 24 H 0.55640666123949 0.16767521470462 0.64875209460532 1.008 25 H 0.16767521470462 0.44359333876051 0.85124790539468 1.008 26 H 0.83232478529538 0.55640666123949 0.85124790539468 1.008 27 H 0.55640666123949 0.16767521470462 0.35124790539468 1.008 28 H 0.44359333876051 0.83232478529538 0.35124790539468 1.008 29 H 0.20666054319488 0.74825211976757 0.06552997432011 1.008 30 H 0.79333945680512 0.25174788023243 0.06552997432011 1.008 31 H 0.25174788023243 0.20666054319488 0.56552997432011 1.008 32 H 0.74825211976757 0.79333945680512 0.56552997432011 1.008 33 H 0.79333945680512 0.25174788023243 0.93447002567989 1.008 34 H 0.20666054319488 0.74825211976757 0.93447002567989 1.008 35 H 0.74825211976757 0.79333945680512 0.43447002567989 1.008 36 H 0.25174788023243 0.20666054319488 0.43447002567989 1.008 37 N 0.22481772805145 0.83887078518712 0.00000000000000 14.007 38 N 0.77518227194856 0.16112921481288 0.00000000000000 14.007 39 N 0.16112921481288 0.22481772805145 0.50000000000000 14.007 40 N 0.83887078518712 0.77518227194856 0.50000000000000 14.007 41 N 0.76894263151220 0.68725110479265 0.16478824399684 14.007 42 N 0.23105736848780 0.31274889520735 0.16478824399684 14.007 43 N 0.31274889520735 0.76894263151220 0.66478824399684 14.007 44 N 0.68725110479265 0.23105736848780 0.66478824399684 14.007 45 N 0.23105736848780 0.31274889520735 0.83521175600316 14.007 46 N 0.76894263151220 0.68725110479265 0.83521175600316 14.007 47 N 0.68725110479265 0.23105736848780 0.33521175600316 14.007 48 N 0.31274889520735 0.76894263151220 0.33521175600316 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.986838430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.986838430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.342603739999999 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 > 1 2 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 > 2 3 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 3 4 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 4 5 K 0.50000000000000 0.00000000000000 0.15043999246742 39.098 > 5 6 K 0.00000000000000 0.50000000000000 0.65043999246742 39.098 > 6 7 K 0.50000000000000 0.00000000000000 0.84956000753258 39.098 > 7 8 K 0.00000000000000 0.50000000000000 0.34956000753258 39.098 > 8 9 Na 0.86369366517690 0.82874429833010 0.00000000000000 22.990 > 9 10 Na 0.13630633482310 0.17125570166990 0.00000000000000 22.990 > 10 11 Na 0.17125570166990 0.86369366517690 0.50000000000000 22.990 > 11 12 Na 0.82874429833010 0.13630633482310 0.50000000000000 22.990 > 12 13 H 0.66404351936526 0.65151657795012 0.22030583328636 1.008 > 13 14 H 0.33595648063474 0.34848342204988 0.22030583328636 1.008 > 14 15 H 0.34848342204988 0.66404351936526 0.72030583328636 1.008 > 15 16 H 0.65151657795012 0.33595648063474 0.72030583328636 1.008 > 16 17 H 0.33595648063474 0.34848342204988 0.77969416671364 1.008 > 17 18 H 0.66404351936526 0.65151657795012 0.77969416671364 1.008 > 18 19 H 0.65151657795012 0.33595648063474 0.27969416671364 1.008 > 19 20 H 0.34848342204988 0.66404351936526 0.27969416671364 1.008 > 20 21 H 0.83232478529538 0.55640666123949 0.14875209460532 1.008 > 21 22 H 0.16767521470462 0.44359333876051 0.14875209460532 1.008 > 22 23 H 0.44359333876051 0.83232478529538 0.64875209460532 1.008 > 23 24 H 0.55640666123949 0.16767521470462 0.64875209460532 1.008 > 24 25 H 0.16767521470462 0.44359333876051 0.85124790539468 1.008 > 25 26 H 0.83232478529538 0.55640666123949 0.85124790539468 1.008 > 26 27 H 0.55640666123949 0.16767521470462 0.35124790539468 1.008 > 27 28 H 0.44359333876051 0.83232478529538 0.35124790539468 1.008 > 28 29 H 0.20666054319488 0.74825211976757 0.06552997432011 1.008 > 29 30 H 0.79333945680512 0.25174788023243 0.06552997432011 1.008 > 30 31 H 0.25174788023243 0.20666054319488 0.56552997432011 1.008 > 31 32 H 0.74825211976757 0.79333945680512 0.56552997432011 1.008 > 32 33 H 0.79333945680512 0.25174788023243 0.93447002567989 1.008 > 33 34 H 0.20666054319488 0.74825211976757 0.93447002567989 1.008 > 34 35 H 0.74825211976757 0.79333945680512 0.43447002567989 1.008 > 35 36 H 0.25174788023243 0.20666054319488 0.43447002567989 1.008 > 36 37 N 0.22481772805145 0.83887078518712 0.00000000000000 14.007 > 37 38 N 0.77518227194856 0.16112921481288 0.00000000000000 14.007 > 38 39 N 0.16112921481288 0.22481772805145 0.50000000000000 14.007 > 39 40 N 0.83887078518712 0.77518227194856 0.50000000000000 14.007 > 40 41 N 0.76894263151220 0.68725110479265 0.16478824399684 14.007 > 41 42 N 0.23105736848780 0.31274889520735 0.16478824399684 14.007 > 42 43 N 0.31274889520735 0.76894263151220 0.66478824399684 14.007 > 43 44 N 0.68725110479265 0.23105736848780 0.66478824399684 14.007 > 44 45 N 0.23105736848780 0.31274889520735 0.83521175600316 14.007 > 45 46 N 0.76894263151220 0.68725110479265 0.83521175600316 14.007 > 46 47 N 0.68725110479265 0.23105736848780 0.33521175600316 14.007 > 47 48 N 0.31274889520735 0.76894263151220 0.33521175600316 14.007 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7076839 -0.0000000 0.0000000 0.0000000 2.7076839 0.0000000 0.0000000 0.0000000 2.6411551 -------------------------- Born effective charges -------------------------- 1 K 1.1339935 -0.0183811 0.0000000 0.0183811 1.1339935 0.0000000 0.0000000 0.0000000 1.0470268 2 K 1.1339935 -0.0183811 0.0000000 0.0183811 1.1339935 0.0000000 0.0000000 0.0000000 1.0470268 3 K 0.9898775 0.0096486 0.0000000 -0.0105639 1.0414661 0.0000000 0.0000000 0.0000000 1.0387321 4 K 1.0414661 0.0105639 0.0000000 -0.0096486 0.9898775 0.0000000 0.0000000 0.0000000 1.0387321 5 K 1.1011967 -0.0545878 0.0000000 -0.0564393 1.1467757 0.0000000 0.0000000 0.0000000 1.0574410 6 K 1.1467757 0.0564393 0.0000000 0.0545878 1.1011967 0.0000000 0.0000000 0.0000000 1.0574410 7 K 1.1011967 -0.0545878 0.0000000 -0.0564393 1.1467757 0.0000000 0.0000000 0.0000000 1.0574410 8 K 1.1467757 0.0564393 0.0000000 0.0545878 1.1011967 0.0000000 0.0000000 0.0000000 1.0574410 9 Na 0.9152414 0.0132794 0.0000000 0.0009457 0.9475674 0.0000000 0.0000000 0.0000000 0.9871101 10 Na 0.9152414 0.0132794 0.0000000 0.0009457 0.9475674 0.0000000 0.0000000 0.0000000 0.9871101 11 Na 0.9475674 -0.0009457 0.0000000 -0.0132794 0.9152414 0.0000000 0.0000000 0.0000000 0.9871101 12 Na 0.9475674 -0.0009457 0.0000000 -0.0132794 0.9152414 0.0000000 0.0000000 0.0000000 0.9871101 13 H 0.0507221 -0.1341224 0.1814355 -0.1242471 0.1180276 0.1310971 0.1842083 0.1177482 0.0382958 14 H 0.0507221 -0.1341224 -0.1814355 -0.1242471 0.1180276 -0.1310971 -0.1842083 -0.1177482 0.0382958 15 H 0.1180276 0.1242471 -0.1310971 0.1341224 0.0507221 0.1814355 -0.1177482 0.1842083 0.0382958 16 H 0.1180276 0.1242471 0.1310971 0.1341224 0.0507221 -0.1814355 0.1177482 -0.1842083 0.0382958 17 H 0.0507221 -0.1341224 0.1814355 -0.1242471 0.1180276 0.1310971 0.1842083 0.1177482 0.0382958 18 H 0.0507221 -0.1341224 -0.1814355 -0.1242471 0.1180276 -0.1310971 -0.1842083 -0.1177482 0.0382958 19 H 0.1180276 0.1242471 -0.1310971 0.1341224 0.0507221 0.1814355 -0.1177482 0.1842083 0.0382958 20 H 0.1180276 0.1242471 0.1310971 0.1341224 0.0507221 -0.1814355 0.1177482 -0.1842083 0.0382958 21 H 0.1924077 0.1569335 0.0942913 0.1535352 -0.2319759 -0.0208225 0.0690908 -0.0389065 0.2229532 22 H 0.1924077 0.1569335 -0.0942913 0.1535352 -0.2319759 0.0208225 -0.0690908 0.0389065 0.2229532 23 H -0.2319759 -0.1535352 0.0208225 -0.1569335 0.1924077 0.0942913 0.0389065 0.0690908 0.2229532 24 H -0.2319759 -0.1535352 -0.0208225 -0.1569335 0.1924077 -0.0942913 -0.0389065 -0.0690908 0.2229532 25 H 0.1924077 0.1569335 0.0942913 0.1535352 -0.2319759 -0.0208225 0.0690908 -0.0389065 0.2229532 26 H 0.1924077 0.1569335 -0.0942913 0.1535352 -0.2319759 0.0208225 -0.0690908 0.0389065 0.2229532 27 H -0.2319759 -0.1535352 0.0208225 -0.1569335 0.1924077 0.0942913 0.0389065 0.0690908 0.2229532 28 H -0.2319759 -0.1535352 -0.0208225 -0.1569335 0.1924077 -0.0942913 -0.0389065 -0.0690908 0.2229532 29 H 0.2649017 -0.0610149 0.0283192 -0.0614094 -0.0340634 0.1895186 0.0518601 0.2099719 0.0113515 30 H 0.2649017 -0.0610149 -0.0283192 -0.0614094 -0.0340634 -0.1895186 -0.0518601 -0.2099719 0.0113515 31 H -0.0340634 0.0614094 -0.1895186 0.0610149 0.2649017 0.0283192 -0.2099719 0.0518601 0.0113515 32 H -0.0340634 0.0614094 0.1895186 0.0610149 0.2649017 -0.0283192 0.2099719 -0.0518601 0.0113515 33 H 0.2649017 -0.0610149 0.0283192 -0.0614094 -0.0340634 0.1895186 0.0518601 0.2099719 0.0113515 34 H 0.2649017 -0.0610149 -0.0283192 -0.0614094 -0.0340634 -0.1895186 -0.0518601 -0.2099719 0.0113515 35 H -0.0340634 0.0614094 -0.1895186 0.0610149 0.2649017 0.0283192 -0.2099719 0.0518601 0.0113515 36 H -0.0340634 0.0614094 0.1895186 0.0610149 0.2649017 -0.0283192 0.2099719 -0.0518601 0.0113515 37 N -1.4946856 0.1420734 0.0000000 0.1089981 -0.9667831 0.0000000 0.0000000 0.0000000 -1.0848476 38 N -1.4946856 0.1420734 0.0000000 0.1089981 -0.9667831 0.0000000 0.0000000 0.0000000 -1.0848476 39 N -0.9667831 -0.1089981 0.0000000 -0.1420734 -1.4946856 0.0000000 0.0000000 0.0000000 -1.0848476 40 N -0.9667831 -0.1089981 0.0000000 -0.1420734 -1.4946856 0.0000000 0.0000000 0.0000000 -1.0848476 41 N -1.2729268 -0.0240189 -0.2523495 -0.0106085 -0.9865818 -0.0840321 -0.2326120 -0.0885223 -1.2738919 42 N -1.2729268 -0.0240189 0.2523495 -0.0106085 -0.9865818 0.0840321 0.2326120 0.0885223 -1.2738919 43 N -0.9865818 0.0106085 0.0840321 0.0240189 -1.2729268 -0.2523495 0.0885223 -0.2326120 -1.2738919 44 N -0.9865818 0.0106085 -0.0840321 0.0240189 -1.2729268 0.2523495 -0.0885223 0.2326120 -1.2738919 45 N -1.2729268 -0.0240189 -0.2523495 -0.0106085 -0.9865818 -0.0840321 -0.2326120 -0.0885223 -1.2738919 46 N -1.2729268 -0.0240189 0.2523495 -0.0106085 -0.9865818 0.0840321 0.2326120 0.0885223 -1.2738919 47 N -0.9865818 0.0106085 0.0840321 0.0240189 -1.2729268 -0.2523495 0.0885223 -0.2326120 -1.2738919 48 N -0.9865818 0.0106085 -0.0840321 0.0240189 -1.2729268 0.2523495 -0.0885223 0.2326120 -1.2738919 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, 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[ 21, 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[ 29, 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[ 37, 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[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) 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 04:21:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:21:04]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P4_2/m (84) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.986838430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.986838430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.342603739999999 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 2 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 3 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 4 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 5 K 0.50000000000000 0.00000000000000 0.15043999246742 39.098 6 K 0.00000000000000 0.50000000000000 0.65043999246742 39.098 7 K 0.50000000000000 0.00000000000000 0.84956000753258 39.098 8 K 0.00000000000000 0.50000000000000 0.34956000753258 39.098 9 Na 0.86369366517690 0.82874429833010 0.00000000000000 22.990 10 Na 0.13630633482310 0.17125570166990 0.00000000000000 22.990 11 Na 0.17125570166990 0.86369366517690 0.50000000000000 22.990 12 Na 0.82874429833010 0.13630633482310 0.50000000000000 22.990 13 H 0.66404351936526 0.65151657795012 0.22030583328636 1.008 14 H 0.33595648063474 0.34848342204988 0.22030583328636 1.008 15 H 0.34848342204988 0.66404351936526 0.72030583328636 1.008 16 H 0.65151657795012 0.33595648063474 0.72030583328636 1.008 17 H 0.33595648063474 0.34848342204988 0.77969416671364 1.008 18 H 0.66404351936526 0.65151657795012 0.77969416671364 1.008 19 H 0.65151657795012 0.33595648063474 0.27969416671364 1.008 20 H 0.34848342204988 0.66404351936526 0.27969416671364 1.008 21 H 0.83232478529538 0.55640666123949 0.14875209460532 1.008 22 H 0.16767521470462 0.44359333876051 0.14875209460532 1.008 23 H 0.44359333876051 0.83232478529538 0.64875209460532 1.008 24 H 0.55640666123949 0.16767521470462 0.64875209460532 1.008 25 H 0.16767521470462 0.44359333876051 0.85124790539468 1.008 26 H 0.83232478529538 0.55640666123949 0.85124790539468 1.008 27 H 0.55640666123949 0.16767521470462 0.35124790539468 1.008 28 H 0.44359333876051 0.83232478529538 0.35124790539468 1.008 29 H 0.20666054319488 0.74825211976757 0.06552997432011 1.008 30 H 0.79333945680512 0.25174788023243 0.06552997432011 1.008 31 H 0.25174788023243 0.20666054319488 0.56552997432011 1.008 32 H 0.74825211976757 0.79333945680512 0.56552997432011 1.008 33 H 0.79333945680512 0.25174788023243 0.93447002567989 1.008 34 H 0.20666054319488 0.74825211976757 0.93447002567989 1.008 35 H 0.74825211976757 0.79333945680512 0.43447002567989 1.008 36 H 0.25174788023243 0.20666054319488 0.43447002567989 1.008 37 N 0.22481772805145 0.83887078518712 0.00000000000000 14.007 38 N 0.77518227194856 0.16112921481288 0.00000000000000 14.007 39 N 0.16112921481288 0.22481772805145 0.50000000000000 14.007 40 N 0.83887078518712 0.77518227194856 0.50000000000000 14.007 41 N 0.76894263151220 0.68725110479265 0.16478824399684 14.007 42 N 0.23105736848780 0.31274889520735 0.16478824399684 14.007 43 N 0.31274889520735 0.76894263151220 0.66478824399684 14.007 44 N 0.68725110479265 0.23105736848780 0.66478824399684 14.007 45 N 0.23105736848780 0.31274889520735 0.83521175600316 14.007 46 N 0.76894263151220 0.68725110479265 0.83521175600316 14.007 47 N 0.68725110479265 0.23105736848780 0.33521175600316 14.007 48 N 0.31274889520735 0.76894263151220 0.33521175600316 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.986838430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.986838430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.342603739999999 Atomic positions (fractional): 1 K 0.00000000000000 0.00000000000000 0.25000000000000 39.098 > 1 2 K 0.00000000000000 0.00000000000000 0.75000000000000 39.098 > 2 3 K 0.50000000000000 0.50000000000000 0.00000000000000 39.098 > 3 4 K 0.50000000000000 0.50000000000000 0.50000000000000 39.098 > 4 5 K 0.50000000000000 0.00000000000000 0.15043999246742 39.098 > 5 6 K 0.00000000000000 0.50000000000000 0.65043999246742 39.098 > 6 7 K 0.50000000000000 0.00000000000000 0.84956000753258 39.098 > 7 8 K 0.00000000000000 0.50000000000000 0.34956000753258 39.098 > 8 9 Na 0.86369366517690 0.82874429833010 0.00000000000000 22.990 > 9 10 Na 0.13630633482310 0.17125570166990 0.00000000000000 22.990 > 10 11 Na 0.17125570166990 0.86369366517690 0.50000000000000 22.990 > 11 12 Na 0.82874429833010 0.13630633482310 0.50000000000000 22.990 > 12 13 H 0.66404351936526 0.65151657795012 0.22030583328636 1.008 > 13 14 H 0.33595648063474 0.34848342204988 0.22030583328636 1.008 > 14 15 H 0.34848342204988 0.66404351936526 0.72030583328636 1.008 > 15 16 H 0.65151657795012 0.33595648063474 0.72030583328636 1.008 > 16 17 H 0.33595648063474 0.34848342204988 0.77969416671364 1.008 > 17 18 H 0.66404351936526 0.65151657795012 0.77969416671364 1.008 > 18 19 H 0.65151657795012 0.33595648063474 0.27969416671364 1.008 > 19 20 H 0.34848342204988 0.66404351936526 0.27969416671364 1.008 > 20 21 H 0.83232478529538 0.55640666123949 0.14875209460532 1.008 > 21 22 H 0.16767521470462 0.44359333876051 0.14875209460532 1.008 > 22 23 H 0.44359333876051 0.83232478529538 0.64875209460532 1.008 > 23 24 H 0.55640666123949 0.16767521470462 0.64875209460532 1.008 > 24 25 H 0.16767521470462 0.44359333876051 0.85124790539468 1.008 > 25 26 H 0.83232478529538 0.55640666123949 0.85124790539468 1.008 > 26 27 H 0.55640666123949 0.16767521470462 0.35124790539468 1.008 > 27 28 H 0.44359333876051 0.83232478529538 0.35124790539468 1.008 > 28 29 H 0.20666054319488 0.74825211976757 0.06552997432011 1.008 > 29 30 H 0.79333945680512 0.25174788023243 0.06552997432011 1.008 > 30 31 H 0.25174788023243 0.20666054319488 0.56552997432011 1.008 > 31 32 H 0.74825211976757 0.79333945680512 0.56552997432011 1.008 > 32 33 H 0.79333945680512 0.25174788023243 0.93447002567989 1.008 > 33 34 H 0.20666054319488 0.74825211976757 0.93447002567989 1.008 > 34 35 H 0.74825211976757 0.79333945680512 0.43447002567989 1.008 > 35 36 H 0.25174788023243 0.20666054319488 0.43447002567989 1.008 > 36 37 N 0.22481772805145 0.83887078518712 0.00000000000000 14.007 > 37 38 N 0.77518227194856 0.16112921481288 0.00000000000000 14.007 > 38 39 N 0.16112921481288 0.22481772805145 0.50000000000000 14.007 > 39 40 N 0.83887078518712 0.77518227194856 0.50000000000000 14.007 > 40 41 N 0.76894263151220 0.68725110479265 0.16478824399684 14.007 > 41 42 N 0.23105736848780 0.31274889520735 0.16478824399684 14.007 > 42 43 N 0.31274889520735 0.76894263151220 0.66478824399684 14.007 > 43 44 N 0.68725110479265 0.23105736848780 0.66478824399684 14.007 > 44 45 N 0.23105736848780 0.31274889520735 0.83521175600316 14.007 > 45 46 N 0.76894263151220 0.68725110479265 0.83521175600316 14.007 > 46 47 N 0.68725110479265 0.23105736848780 0.33521175600316 14.007 > 47 48 N 0.31274889520735 0.76894263151220 0.33521175600316 14.007 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7076839 -0.0000000 0.0000000 0.0000000 2.7076839 0.0000000 0.0000000 0.0000000 2.6411551 -------------------------- Born effective charges -------------------------- 1 K 1.1339935 -0.0183811 0.0000000 0.0183811 1.1339935 0.0000000 0.0000000 0.0000000 1.0470268 2 K 1.1339935 -0.0183811 0.0000000 0.0183811 1.1339935 0.0000000 0.0000000 0.0000000 1.0470268 3 K 0.9898775 0.0096486 0.0000000 -0.0105639 1.0414661 0.0000000 0.0000000 0.0000000 1.0387321 4 K 1.0414661 0.0105639 0.0000000 -0.0096486 0.9898775 0.0000000 0.0000000 0.0000000 1.0387321 5 K 1.1011967 -0.0545878 0.0000000 -0.0564393 1.1467757 0.0000000 0.0000000 0.0000000 1.0574410 6 K 1.1467757 0.0564393 0.0000000 0.0545878 1.1011967 0.0000000 0.0000000 0.0000000 1.0574410 7 K 1.1011967 -0.0545878 0.0000000 -0.0564393 1.1467757 0.0000000 0.0000000 0.0000000 1.0574410 8 K 1.1467757 0.0564393 0.0000000 0.0545878 1.1011967 0.0000000 0.0000000 0.0000000 1.0574410 9 Na 0.9152414 0.0132794 0.0000000 0.0009457 0.9475674 0.0000000 0.0000000 0.0000000 0.9871101 10 Na 0.9152414 0.0132794 0.0000000 0.0009457 0.9475674 0.0000000 0.0000000 0.0000000 0.9871101 11 Na 0.9475674 -0.0009457 0.0000000 -0.0132794 0.9152414 0.0000000 0.0000000 0.0000000 0.9871101 12 Na 0.9475674 -0.0009457 0.0000000 -0.0132794 0.9152414 0.0000000 0.0000000 0.0000000 0.9871101 13 H 0.0507221 -0.1341224 0.1814355 -0.1242471 0.1180276 0.1310971 0.1842083 0.1177482 0.0382958 14 H 0.0507221 -0.1341224 -0.1814355 -0.1242471 0.1180276 -0.1310971 -0.1842083 -0.1177482 0.0382958 15 H 0.1180276 0.1242471 -0.1310971 0.1341224 0.0507221 0.1814355 -0.1177482 0.1842083 0.0382958 16 H 0.1180276 0.1242471 0.1310971 0.1341224 0.0507221 -0.1814355 0.1177482 -0.1842083 0.0382958 17 H 0.0507221 -0.1341224 0.1814355 -0.1242471 0.1180276 0.1310971 0.1842083 0.1177482 0.0382958 18 H 0.0507221 -0.1341224 -0.1814355 -0.1242471 0.1180276 -0.1310971 -0.1842083 -0.1177482 0.0382958 19 H 0.1180276 0.1242471 -0.1310971 0.1341224 0.0507221 0.1814355 -0.1177482 0.1842083 0.0382958 20 H 0.1180276 0.1242471 0.1310971 0.1341224 0.0507221 -0.1814355 0.1177482 -0.1842083 0.0382958 21 H 0.1924077 0.1569335 0.0942913 0.1535352 -0.2319759 -0.0208225 0.0690908 -0.0389065 0.2229532 22 H 0.1924077 0.1569335 -0.0942913 0.1535352 -0.2319759 0.0208225 -0.0690908 0.0389065 0.2229532 23 H -0.2319759 -0.1535352 0.0208225 -0.1569335 0.1924077 0.0942913 0.0389065 0.0690908 0.2229532 24 H -0.2319759 -0.1535352 -0.0208225 -0.1569335 0.1924077 -0.0942913 -0.0389065 -0.0690908 0.2229532 25 H 0.1924077 0.1569335 0.0942913 0.1535352 -0.2319759 -0.0208225 0.0690908 -0.0389065 0.2229532 26 H 0.1924077 0.1569335 -0.0942913 0.1535352 -0.2319759 0.0208225 -0.0690908 0.0389065 0.2229532 27 H -0.2319759 -0.1535352 0.0208225 -0.1569335 0.1924077 0.0942913 0.0389065 0.0690908 0.2229532 28 H -0.2319759 -0.1535352 -0.0208225 -0.1569335 0.1924077 -0.0942913 -0.0389065 -0.0690908 0.2229532 29 H 0.2649017 -0.0610149 0.0283192 -0.0614094 -0.0340634 0.1895186 0.0518601 0.2099719 0.0113515 30 H 0.2649017 -0.0610149 -0.0283192 -0.0614094 -0.0340634 -0.1895186 -0.0518601 -0.2099719 0.0113515 31 H -0.0340634 0.0614094 -0.1895186 0.0610149 0.2649017 0.0283192 -0.2099719 0.0518601 0.0113515 32 H -0.0340634 0.0614094 0.1895186 0.0610149 0.2649017 -0.0283192 0.2099719 -0.0518601 0.0113515 33 H 0.2649017 -0.0610149 0.0283192 -0.0614094 -0.0340634 0.1895186 0.0518601 0.2099719 0.0113515 34 H 0.2649017 -0.0610149 -0.0283192 -0.0614094 -0.0340634 -0.1895186 -0.0518601 -0.2099719 0.0113515 35 H -0.0340634 0.0614094 -0.1895186 0.0610149 0.2649017 0.0283192 -0.2099719 0.0518601 0.0113515 36 H -0.0340634 0.0614094 0.1895186 0.0610149 0.2649017 -0.0283192 0.2099719 -0.0518601 0.0113515 37 N -1.4946856 0.1420734 0.0000000 0.1089981 -0.9667831 0.0000000 0.0000000 0.0000000 -1.0848476 38 N -1.4946856 0.1420734 0.0000000 0.1089981 -0.9667831 0.0000000 0.0000000 0.0000000 -1.0848476 39 N -0.9667831 -0.1089981 0.0000000 -0.1420734 -1.4946856 0.0000000 0.0000000 0.0000000 -1.0848476 40 N -0.9667831 -0.1089981 0.0000000 -0.1420734 -1.4946856 0.0000000 0.0000000 0.0000000 -1.0848476 41 N -1.2729268 -0.0240189 -0.2523495 -0.0106085 -0.9865818 -0.0840321 -0.2326120 -0.0885223 -1.2738919 42 N -1.2729268 -0.0240189 0.2523495 -0.0106085 -0.9865818 0.0840321 0.2326120 0.0885223 -1.2738919 43 N -0.9865818 0.0106085 0.0840321 0.0240189 -1.2729268 -0.2523495 0.0885223 -0.2326120 -1.2738919 44 N -0.9865818 0.0106085 -0.0840321 0.0240189 -1.2729268 0.2523495 -0.0885223 0.2326120 -1.2738919 45 N -1.2729268 -0.0240189 -0.2523495 -0.0106085 -0.9865818 -0.0840321 -0.2326120 -0.0885223 -1.2738919 46 N -1.2729268 -0.0240189 0.2523495 -0.0106085 -0.9865818 0.0840321 0.2326120 0.0885223 -1.2738919 47 N -0.9865818 0.0106085 0.0840321 0.0240189 -1.2729268 -0.2523495 0.0885223 -0.2326120 -1.2738919 48 N -0.9865818 0.0106085 -0.0840321 0.0240189 -1.2729268 0.2523495 -0.0885223 0.2326120 -1.2738919 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (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 ... [ 7 7 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 297, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/39) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.924 ( 0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.389 ( 0.000 0.000 0.000) 0.000 2.414 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.823 ( 0.000 0.000 0.000) 0.000 2.823 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.034 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.437 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.924 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.051 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.156 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.413 ( 0.000 0.000 0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.734 ( 0.000 0.000 0.000) 0.000 6.133 ( 0.000 0.000 0.000) 0.000 6.240 ( 0.000 0.000 0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.619 ( 0.000 0.000 0.000) 0.000 6.783 ( 0.000 0.000 0.000) 0.000 6.983 ( 0.000 0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 7.351 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.081 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.608 ( 0.000 0.000 0.000) 0.000 8.614 ( 0.000 0.000 0.000) 0.000 8.836 ( 0.000 0.000 0.000) 0.000 9.217 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.272 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 10.113 ( 0.000 0.000 0.000) 0.000 10.196 ( 0.000 0.000 0.000) 0.000 10.226 ( 0.000 0.000 0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 10.734 ( 0.000 0.000 0.000) 0.000 10.937 ( 0.000 0.000 0.000) 0.000 11.364 ( 0.000 0.000 0.000) 0.000 11.541 ( 0.000 0.000 0.000) 0.000 11.638 ( 0.000 0.000 0.000) 0.000 12.391 ( 0.000 0.000 0.000) 0.000 12.391 ( 0.000 0.000 0.000) 0.000 12.429 ( 0.000 0.000 0.000) 0.000 12.429 ( 0.000 0.000 0.000) 0.000 13.498 ( 0.000 0.000 0.000) 0.000 13.498 ( 0.000 0.000 0.000) 0.000 14.276 ( 0.000 0.000 0.000) 0.000 14.276 ( 0.000 0.000 0.000) 0.000 14.574 ( 0.000 0.000 0.000) 0.000 14.665 ( 0.000 0.000 0.000) 0.000 15.599 ( 0.000 0.000 0.000) 0.000 15.682 ( 0.000 0.000 0.000) 0.000 15.882 ( 0.000 0.000 0.000) 0.000 15.882 ( 0.000 0.000 0.000) 0.000 16.030 ( 0.000 0.000 0.000) 0.000 16.030 ( 0.000 0.000 0.000) 0.000 16.336 ( 0.000 0.000 0.000) 0.000 16.415 ( 0.000 0.000 0.000) 0.000 16.768 ( 0.000 0.000 0.000) 0.000 16.827 ( 0.000 0.000 0.000) 0.000 16.963 ( 0.000 0.000 0.000) 0.000 17.391 ( 0.000 0.000 0.000) 0.000 43.682 ( 0.000 0.000 0.000) 0.000 43.739 ( 0.000 0.000 0.000) 0.000 44.129 ( 0.000 0.000 0.000) 0.000 44.129 ( 0.000 0.000 0.000) 0.000 44.167 ( 0.000 0.000 0.000) 0.000 44.167 ( 0.000 0.000 0.000) 0.000 44.403 ( 0.000 0.000 0.000) 0.000 44.403 ( 0.000 0.000 0.000) 0.000 44.422 ( 0.000 0.000 0.000) 0.000 44.433 ( 0.000 0.000 0.000) 0.000 45.025 ( 0.000 0.000 0.000) 0.000 45.244 ( 0.000 0.000 0.000) 0.000 97.969 ( 0.000 0.000 0.000) 0.000 97.991 ( 0.000 0.000 0.000) 0.000 97.991 ( 0.000 0.000 0.000) 0.000 98.009 ( 0.000 0.000 0.000) 0.000 98.135 ( 0.000 0.000 0.000) 0.000 98.189 ( 0.000 0.000 0.000) 0.000 98.271 ( 0.000 0.000 0.000) 0.000 98.271 ( 0.000 0.000 0.000) 0.000 98.282 ( 0.000 0.000 0.000) 0.000 98.282 ( 0.000 0.000 0.000) 0.000 98.304 ( 0.000 0.000 0.000) 0.000 98.315 ( 0.000 0.000 0.000) 0.000 100.767 ( 0.000 0.000 0.000) 0.000 100.799 ( 0.000 0.000 0.000) 0.000 100.800 ( 0.000 0.000 0.000) 0.000 100.800 ( 0.000 0.000 0.000) 0.000 100.936 ( 0.000 0.000 0.000) 0.000 100.946 ( 0.000 0.000 0.000) 0.000 100.979 ( 0.000 0.000 0.000) 0.000 100.979 ( 0.000 0.000 0.000) 0.000 100.998 ( 0.000 0.000 0.000) 0.000 100.998 ( 0.000 0.000 0.000) 0.000 101.015 ( 0.000 0.000 0.000) 0.000 101.021 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/39) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 22.395 0.198 0.000) 22.396 0.505 ( 24.282 1.922 0.000) 24.358 0.911 ( 43.555 -0.811 0.000) 43.563 1.813 ( 6.244 2.550 0.000) 6.744 1.824 ( -1.683 0.828 0.000) 1.875 1.868 ( 0.699 -1.677 0.000) 1.817 1.897 ( 13.359 -2.459 0.000) 13.583 1.997 ( 3.174 1.124 0.000) 3.367 2.254 ( -5.368 0.711 0.000) 5.415 2.267 ( -3.817 -0.414 0.000) 3.839 2.328 ( -1.588 -7.734 0.000) 7.896 2.410 ( -3.269 7.780 0.000) 8.439 2.585 ( 6.128 -1.475 0.000) 6.303 2.639 ( 6.704 0.475 0.000) 6.721 2.791 ( -3.698 -0.872 0.000) 3.800 2.857 ( 2.696 0.994 0.000) 2.874 3.000 ( -2.682 2.121 0.000) 3.419 3.067 ( 2.591 -1.778 0.000) 3.142 3.136 ( -2.366 -2.433 0.000) 3.394 3.199 ( 1.220 2.829 0.000) 3.081 3.380 ( -1.573 -4.370 0.000) 4.645 3.400 ( -3.510 0.322 0.000) 3.524 3.433 ( -0.869 1.612 0.000) 1.832 3.450 ( -3.855 0.616 0.000) 3.904 3.459 ( 2.711 -0.751 0.000) 2.813 3.563 ( -0.731 -0.029 0.000) 0.732 3.750 ( -4.744 -2.540 0.000) 5.382 3.775 ( -2.410 -0.311 0.000) 2.430 3.782 ( -0.778 -0.685 0.000) 1.037 3.833 ( -1.375 3.635 0.000) 3.887 3.929 ( -0.126 -1.636 0.000) 1.641 3.968 ( 4.806 -0.896 0.000) 4.889 4.123 ( -2.655 2.028 0.000) 3.341 4.193 ( 2.351 5.262 0.000) 5.763 4.196 ( -4.084 -3.918 0.000) 5.660 4.276 ( 1.534 1.554 0.000) 2.184 4.382 ( -4.622 4.082 0.000) 6.167 4.422 ( -4.778 -0.863 0.000) 4.855 4.599 ( 7.850 -3.188 0.000) 8.473 4.602 ( -3.825 1.839 0.000) 4.244 4.705 ( 3.581 -0.167 0.000) 3.585 4.749 ( -6.279 -1.517 0.000) 6.460 4.944 ( 4.508 4.424 0.000) 6.317 4.997 ( 1.127 -2.723 0.000) 2.947 5.071 ( 1.760 1.282 0.000) 2.178 5.148 ( 6.674 -0.478 0.000) 6.691 5.176 ( 1.711 -5.127 0.000) 5.405 5.306 ( 10.287 2.808 0.000) 10.664 5.345 ( -5.478 2.364 0.000) 5.967 5.650 ( -0.200 -1.282 0.000) 1.298 5.733 ( -1.210 -7.469 0.000) 7.566 5.846 ( -0.922 6.257 0.000) 6.325 6.097 ( -3.435 -0.183 0.000) 3.440 6.267 ( 2.250 0.454 0.000) 2.295 6.316 ( 0.890 0.268 0.000) 0.929 6.325 ( -5.071 0.108 0.000) 5.072 6.611 ( -0.886 0.780 0.000) 1.180 6.774 ( -1.752 -0.268 0.000) 1.772 6.977 ( 0.547 -2.330 0.000) 2.393 7.174 ( 2.355 0.536 0.000) 2.415 7.282 ( -5.941 2.182 0.000) 6.329 7.413 ( 1.221 -0.648 0.000) 1.382 7.910 ( -8.449 -0.072 0.000) 8.449 7.992 ( -2.862 -3.617 0.000) 4.612 8.018 ( 3.091 0.580 0.000) 3.145 8.032 ( 1.463 0.074 0.000) 1.465 8.109 ( 2.381 2.808 0.000) 3.681 8.500 ( 0.571 -0.366 0.000) 0.678 8.519 ( -2.697 -1.308 0.000) 2.997 8.624 ( 0.994 0.019 0.000) 0.994 8.650 ( 2.364 0.485 0.000) 2.413 8.816 ( -2.305 -0.280 0.000) 2.321 9.129 ( -3.269 4.539 0.000) 5.594 9.264 ( -0.598 -7.638 0.000) 7.661 9.436 ( 10.269 3.022 0.000) 10.705 9.660 ( -2.821 4.571 0.000) 5.372 10.110 ( -0.403 0.029 0.000) 0.404 10.160 ( -3.215 -0.035 0.000) 3.215 10.278 ( 4.635 -1.470 0.000) 4.863 10.626 ( -1.108 -1.248 0.000) 1.669 10.731 ( -0.199 0.266 0.000) 0.332 10.738 ( 0.365 -0.435 0.000) 0.568 10.920 ( -1.584 0.160 0.000) 1.592 11.351 ( -1.914 0.033 0.000) 1.914 11.552 ( 0.999 0.008 0.000) 0.999 11.564 ( -5.661 -0.020 0.000) 5.661 12.406 ( 1.301 -0.645 0.000) 1.452 12.415 ( -1.303 0.936 0.000) 1.605 12.451 ( 5.079 0.621 0.000) 5.116 12.687 ( 2.865 -2.833 0.000) 4.029 13.493 ( -0.503 -1.890 0.000) 1.956 13.511 ( 1.161 1.865 0.000) 2.197 14.199 ( -6.743 -3.780 0.000) 7.730 14.379 ( -2.228 5.418 0.000) 5.858 14.625 ( 4.955 0.004 0.000) 4.955 14.790 ( 9.522 -0.576 0.000) 9.540 15.600 ( 0.082 -0.038 0.000) 0.091 15.638 ( -3.984 0.519 0.000) 4.018 15.862 ( -1.864 -3.278 0.000) 3.771 15.916 ( 2.786 2.911 0.000) 4.029 16.017 ( -1.212 -0.772 0.000) 1.437 16.268 ( -4.636 -0.706 0.000) 4.689 16.301 ( -3.127 -0.135 0.000) 3.130 16.447 ( 2.101 0.925 0.000) 2.295 16.754 ( -1.327 0.464 0.000) 1.406 16.821 ( -0.328 -0.138 0.000) 0.356 16.964 ( 0.224 -0.048 0.000) 0.229 17.360 ( -2.947 0.038 0.000) 2.948 43.673 ( -0.778 -0.000 0.000) 0.778 43.735 ( -0.397 0.001 0.000) 0.397 44.129 ( 0.064 0.057 0.000) 0.086 44.154 ( 2.290 -0.057 0.000) 2.290 44.169 ( 0.056 0.331 0.000) 0.336 44.180 ( 0.310 -0.190 0.000) 0.364 44.374 ( -1.484 0.879 0.000) 1.725 44.430 ( 0.172 -0.539 0.000) 0.566 44.438 ( 0.145 -1.493 0.000) 1.500 44.485 ( 3.307 1.010 0.000) 3.458 45.012 ( -1.234 0.000 0.000) 1.234 45.223 ( -1.983 -0.001 0.000) 1.983 97.967 ( -0.176 0.001 0.000) 0.176 97.992 ( 0.032 0.065 0.000) 0.072 97.997 ( 0.131 -0.039 0.000) 0.137 98.009 ( -0.038 -0.038 0.000) 0.054 98.136 ( 0.148 -0.000 0.000) 0.148 98.190 ( 0.081 -0.000 0.000) 0.081 98.262 ( -0.717 0.020 0.000) 0.718 98.273 ( 0.212 -0.022 0.000) 0.213 98.274 ( -0.619 0.179 0.000) 0.645 98.312 ( 0.572 -0.445 0.000) 0.725 98.322 ( 0.556 0.002 0.000) 0.556 98.326 ( 0.086 0.264 0.000) 0.278 100.767 ( -0.006 0.002 0.000) 0.007 100.796 ( -0.144 -0.014 0.000) 0.145 100.799 ( -0.018 0.009 0.000) 0.020 100.803 ( 0.163 0.003 0.000) 0.163 100.937 ( 0.163 -0.001 0.000) 0.163 100.947 ( 0.057 -0.000 0.000) 0.057 100.979 ( -0.032 -0.058 0.000) 0.066 100.981 ( -0.079 0.090 0.000) 0.120 100.994 ( -0.303 0.006 0.000) 0.303 100.998 ( -0.012 -0.005 0.000) 0.013 101.015 ( 0.028 -0.010 0.000) 0.030 101.023 ( 0.183 -0.000 0.000) 0.183 ======================= Grid point 2 (3/39) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 20.662 0.994 0.000) 20.686 0.986 ( 22.575 1.711 0.000) 22.640 1.756 ( 38.228 -0.067 0.000) 38.228 1.761 ( -5.241 1.700 0.000) 5.509 1.840 ( -3.936 -4.194 0.000) 5.752 1.959 ( 4.416 3.139 0.000) 5.417 2.002 ( -0.485 1.112 0.000) 1.213 2.113 ( -1.328 -4.673 0.000) 4.858 2.190 ( -0.715 -2.962 0.000) 3.047 2.262 ( 12.873 4.038 0.000) 13.492 2.346 ( -2.023 3.498 0.000) 4.041 2.426 ( 8.023 -2.013 0.000) 8.272 2.697 ( 4.639 -0.504 0.000) 4.667 2.731 ( 1.745 5.380 0.000) 5.656 2.735 ( -0.271 -4.222 0.000) 4.230 2.935 ( 4.717 2.169 0.000) 5.192 2.963 ( -0.089 0.855 0.000) 0.860 3.078 ( -3.879 -3.460 0.000) 5.198 3.120 ( 2.609 -1.531 0.000) 3.025 3.196 ( -1.855 1.337 0.000) 2.287 3.256 ( -9.065 -2.414 0.000) 9.381 3.316 ( -4.822 -1.118 0.000) 4.950 3.369 ( -4.997 2.433 0.000) 5.558 3.435 ( 0.607 -3.123 0.000) 3.182 3.505 ( 1.866 -2.092 0.000) 2.803 3.529 ( -1.916 0.745 0.000) 2.056 3.670 ( -3.947 -2.900 0.000) 4.898 3.698 ( -4.071 -0.246 0.000) 4.078 3.759 ( -1.456 0.362 0.000) 1.500 3.815 ( -0.328 4.995 0.000) 5.006 3.893 ( -3.734 -0.740 0.000) 3.806 4.008 ( -0.879 -1.282 0.000) 1.554 4.065 ( -6.662 -6.169 0.000) 9.079 4.150 ( 1.272 5.306 0.000) 5.456 4.251 ( 0.797 -0.129 0.000) 0.807 4.281 ( -3.509 5.237 0.000) 6.304 4.345 ( 4.764 -1.073 0.000) 4.883 4.378 ( 3.211 4.829 0.000) 5.799 4.529 ( -2.058 1.646 0.000) 2.635 4.599 ( -3.000 -3.065 0.000) 4.288 4.751 ( 2.356 5.949 0.000) 6.399 4.783 ( 3.903 -5.707 0.000) 6.914 5.009 ( 0.421 1.538 0.000) 1.595 5.076 ( 6.691 2.238 0.000) 7.055 5.079 ( -2.247 0.307 0.000) 2.268 5.219 ( 2.465 -3.638 0.000) 4.395 5.229 ( -1.904 0.013 0.000) 1.904 5.308 ( 4.554 -1.028 0.000) 4.668 5.511 ( 9.291 2.091 0.000) 9.523 5.621 ( -2.918 -4.302 0.000) 5.199 5.707 ( 0.998 -1.121 0.000) 1.501 5.862 ( 1.891 1.820 0.000) 2.624 6.003 ( -5.372 -0.930 0.000) 5.452 6.185 ( -7.968 0.565 0.000) 7.988 6.303 ( 0.131 3.378 0.000) 3.381 6.339 ( 1.480 -1.772 0.000) 2.309 6.568 ( -3.533 3.402 0.000) 4.905 6.708 ( -3.278 -3.571 0.000) 4.847 7.038 ( 4.879 -3.389 0.000) 5.941 7.148 ( -5.926 4.231 0.000) 7.281 7.226 ( 1.969 -0.009 0.000) 1.969 7.448 ( 2.092 -0.707 0.000) 2.208 7.739 ( -7.261 -0.196 0.000) 7.263 7.897 ( -5.904 0.148 0.000) 5.906 8.063 ( 1.305 0.294 0.000) 1.338 8.094 ( 4.031 -1.151 0.000) 4.192 8.167 ( 2.868 0.760 0.000) 2.967 8.461 ( -3.369 -0.758 0.000) 3.453 8.514 ( 0.734 -0.937 0.000) 1.190 8.639 ( 0.190 -0.128 0.000) 0.229 8.676 ( 0.068 1.227 0.000) 1.228 8.748 ( -3.335 0.120 0.000) 3.337 9.101 ( 0.306 8.123 0.000) 8.128 9.255 ( -0.249 -10.824 0.000) 10.827 9.608 ( -1.958 4.095 0.000) 4.540 9.648 ( 9.941 2.481 0.000) 10.246 10.089 ( -1.806 0.119 0.000) 1.810 10.093 ( -2.837 0.116 0.000) 2.840 10.381 ( 4.858 -1.462 0.000) 5.073 10.591 ( -2.312 -1.181 0.000) 2.596 10.730 ( 0.099 -0.381 0.000) 0.394 10.752 ( 0.998 -0.551 0.000) 1.140 10.880 ( -1.917 0.918 0.000) 2.126 11.244 ( -8.218 0.117 0.000) 8.219 11.490 ( -0.991 -0.163 0.000) 1.004 11.578 ( 1.329 0.035 0.000) 1.330 12.381 ( -1.758 0.408 0.000) 1.804 12.436 ( 1.456 -0.779 0.000) 1.651 12.563 ( 5.155 0.763 0.000) 5.211 12.766 ( 4.363 -2.792 0.000) 5.180 13.479 ( -0.818 -2.387 0.000) 2.524 13.538 ( 1.223 2.266 0.000) 2.575 14.050 ( -6.943 -1.330 0.000) 7.069 14.345 ( -1.222 2.377 0.000) 2.673 14.771 ( 8.931 0.005 0.000) 8.931 14.994 ( 9.711 0.600 0.000) 9.730 15.524 ( -7.212 1.154 0.000) 7.304 15.600 ( -0.225 -0.240 0.000) 0.329 15.817 ( -2.203 -3.807 0.000) 4.399 15.979 ( 3.211 3.503 0.000) 4.752 15.986 ( -1.592 -0.993 0.000) 1.876 16.155 ( -6.002 -0.646 0.000) 6.037 16.222 ( -4.254 -0.749 0.000) 4.319 16.481 ( 1.047 0.691 0.000) 1.254 16.720 ( -1.690 0.924 0.000) 1.926 16.822 ( 0.421 -0.346 0.000) 0.545 16.983 ( 1.949 -0.276 0.000) 1.969 17.277 ( -4.886 0.216 0.000) 4.890 43.655 ( -0.807 -0.001 0.000) 0.807 43.726 ( -0.417 0.004 0.000) 0.417 44.131 ( 0.053 0.068 0.000) 0.087 44.167 ( -0.171 0.260 0.000) 0.311 44.189 ( 0.469 -0.102 0.000) 0.480 44.210 ( 2.850 -0.069 0.000) 2.851 44.350 ( -0.831 0.337 0.000) 0.896 44.434 ( 0.175 0.406 0.000) 0.442 44.440 ( 0.055 -1.114 0.000) 1.115 44.561 ( 3.792 0.207 0.000) 3.797 44.980 ( -1.707 0.001 0.000) 1.707 45.170 ( -2.922 -0.001 0.000) 2.922 97.963 ( -0.162 0.001 0.000) 0.162 97.992 ( -0.051 0.060 0.000) 0.079 98.001 ( 0.202 -0.012 0.000) 0.203 98.008 ( -0.051 -0.065 0.000) 0.082 98.140 ( 0.215 -0.002 0.000) 0.215 98.192 ( 0.111 -0.001 0.000) 0.111 98.247 ( -0.704 0.023 0.000) 0.705 98.262 ( -0.502 0.125 0.000) 0.517 98.278 ( 0.238 -0.025 0.000) 0.239 98.323 ( 0.428 -0.883 0.000) 0.981 98.328 ( 0.097 0.756 0.000) 0.762 98.333 ( 0.473 0.003 0.000) 0.473 100.767 ( -0.008 0.008 0.000) 0.011 100.794 ( -0.063 -0.030 0.000) 0.070 100.799 ( -0.042 0.012 0.000) 0.044 100.806 ( 0.106 0.011 0.000) 0.107 100.942 ( 0.245 -0.003 0.000) 0.245 100.948 ( 0.083 -0.001 0.000) 0.083 100.977 ( -0.137 -0.046 0.000) 0.145 100.980 ( -0.006 0.086 0.000) 0.086 100.987 ( -0.355 0.011 0.000) 0.355 100.997 ( -0.015 -0.007 0.000) 0.016 101.016 ( 0.034 -0.011 0.000) 0.036 101.027 ( 0.163 -0.001 0.000) 0.163 ======================= Grid point 3 (4/39) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 15.174 1.864 0.000) 15.288 1.422 ( 19.939 1.080 0.000) 19.969 1.611 ( -9.041 -0.660 0.000) 9.065 1.749 ( -3.231 -1.575 0.000) 3.594 1.791 ( -15.487 -0.115 0.000) 15.487 1.997 ( -0.201 -1.455 0.000) 1.469 2.188 ( 4.871 -1.137 0.000) 5.002 2.228 ( 3.480 -0.499 0.000) 3.515 2.306 ( -2.319 2.006 0.000) 3.066 2.393 ( 17.147 3.043 0.000) 17.415 2.528 ( 1.046 -1.041 0.000) 1.476 2.548 ( 14.529 3.442 0.000) 14.931 2.763 ( 1.899 0.216 0.000) 1.912 2.767 ( 1.971 3.707 0.000) 4.199 2.814 ( 7.391 -4.910 0.000) 8.873 2.938 ( -7.689 -5.084 0.000) 9.217 3.003 ( 3.964 0.647 0.000) 4.017 3.031 ( 3.517 2.249 0.000) 4.175 3.111 ( -4.014 1.961 0.000) 4.467 3.126 ( -7.615 -1.503 0.000) 7.762 3.170 ( 0.545 -3.364 0.000) 3.407 3.197 ( -5.156 0.837 0.000) 5.223 3.246 ( -4.673 0.328 0.000) 4.685 3.407 ( -0.649 -1.971 0.000) 2.075 3.508 ( -8.464 -0.215 0.000) 8.466 3.536 ( -0.350 0.491 0.000) 0.603 3.549 ( 2.763 -4.950 0.000) 5.669 3.624 ( -3.503 3.991 0.000) 5.310 3.723 ( -1.523 0.870 0.000) 1.754 3.820 ( 0.925 1.793 0.000) 2.018 3.840 ( -0.834 0.186 0.000) 0.855 3.984 ( -0.865 -0.937 0.000) 1.275 3.987 ( 0.403 -5.939 0.000) 5.953 4.080 ( -5.719 5.270 0.000) 7.777 4.251 ( 0.067 -1.861 0.000) 1.862 4.289 ( 1.625 1.833 0.000) 2.449 4.442 ( 1.011 6.229 0.000) 6.311 4.443 ( 3.418 -1.100 0.000) 3.590 4.554 ( 2.897 -1.396 0.000) 3.215 4.563 ( -0.742 -0.905 0.000) 1.170 4.780 ( 0.685 3.905 0.000) 3.965 4.842 ( 1.428 -3.705 0.000) 3.971 4.990 ( -2.075 4.577 0.000) 5.025 5.040 ( -0.100 -2.374 0.000) 2.377 5.167 ( 1.992 -0.819 0.000) 2.154 5.199 ( -0.984 -0.471 0.000) 1.091 5.275 ( 2.340 0.497 0.000) 2.392 5.346 ( -0.576 -2.312 0.000) 2.383 5.592 ( 0.251 -0.239 0.000) 0.346 5.668 ( 5.315 0.778 0.000) 5.372 5.751 ( 1.679 0.188 0.000) 1.689 5.898 ( -4.004 -0.893 0.000) 4.103 5.920 ( 3.468 -1.640 0.000) 3.836 6.039 ( -4.869 0.506 0.000) 4.896 6.240 ( -4.864 3.386 0.000) 5.926 6.368 ( 0.928 -1.517 0.000) 1.779 6.517 ( -0.616 2.107 0.000) 2.196 6.666 ( -1.001 -2.564 0.000) 2.753 7.051 ( -2.384 0.446 0.000) 2.426 7.153 ( 4.745 -1.109 0.000) 4.873 7.236 ( -1.366 1.380 0.000) 1.942 7.492 ( 1.756 -0.657 0.000) 1.875 7.637 ( -2.532 -0.117 0.000) 2.535 7.790 ( -3.451 0.867 0.000) 3.559 8.080 ( 0.401 0.202 0.000) 0.449 8.173 ( 3.340 -1.878 0.000) 3.832 8.207 ( 0.511 0.666 0.000) 0.840 8.379 ( -3.580 0.479 0.000) 3.612 8.526 ( 0.328 -0.537 0.000) 0.629 8.628 ( -0.656 -0.102 0.000) 0.664 8.667 ( -0.522 0.696 0.000) 0.870 8.715 ( -0.273 0.111 0.000) 0.295 9.124 ( 1.226 5.086 0.000) 5.231 9.249 ( -0.395 -6.117 0.000) 6.130 9.583 ( -0.586 1.391 0.000) 1.509 9.819 ( 5.828 0.967 0.000) 5.908 10.037 ( -2.752 0.016 0.000) 2.752 10.055 ( -0.890 0.057 0.000) 0.892 10.467 ( 3.452 -0.633 0.000) 3.510 10.537 ( -2.779 -0.344 0.000) 2.800 10.733 ( 0.151 -0.459 0.000) 0.483 10.768 ( 0.187 -0.505 0.000) 0.539 10.868 ( 0.923 1.084 0.000) 1.424 11.083 ( -5.736 -0.103 0.000) 5.737 11.489 ( 0.213 -0.086 0.000) 0.229 11.599 ( 0.622 0.026 0.000) 0.622 12.354 ( -0.760 0.030 0.000) 0.761 12.458 ( 0.591 -0.339 0.000) 0.682 12.640 ( 2.089 0.358 0.000) 2.119 12.840 ( 2.241 -1.118 0.000) 2.505 13.464 ( -0.442 -1.077 0.000) 1.165 13.556 ( 0.484 0.980 0.000) 1.093 13.943 ( -2.993 -0.186 0.000) 2.999 14.328 ( -0.421 0.592 0.000) 0.726 14.959 ( 7.736 -0.055 0.000) 7.736 15.155 ( 4.859 0.574 0.000) 4.892 15.362 ( -7.054 0.563 0.000) 7.076 15.590 ( -0.526 -0.297 0.000) 0.604 15.784 ( -0.825 -1.478 0.000) 1.693 15.961 ( -0.702 -0.444 0.000) 0.831 16.046 ( 3.134 2.424 0.000) 3.962 16.051 ( -3.215 -0.271 0.000) 3.226 16.138 ( -3.698 -1.371 0.000) 3.944 16.490 ( 0.065 0.197 0.000) 0.208 16.695 ( -0.622 0.490 0.000) 0.792 16.832 ( 0.387 -0.158 0.000) 0.418 17.044 ( 3.550 -0.420 0.000) 3.575 17.173 ( -4.681 0.370 0.000) 4.696 43.643 ( -0.316 -0.001 0.000) 0.316 43.720 ( -0.163 0.003 0.000) 0.163 44.131 ( 0.016 0.029 0.000) 0.033 44.164 ( -0.094 0.093 0.000) 0.132 44.196 ( 0.181 -0.028 0.000) 0.183 44.256 ( 1.303 -0.030 0.000) 1.303 44.339 ( -0.261 0.082 0.000) 0.274 44.437 ( 0.104 0.491 0.000) 0.502 44.440 ( -0.012 -0.673 0.000) 0.673 44.624 ( 1.893 0.032 0.000) 1.894 44.951 ( -0.840 0.001 0.000) 0.840 45.119 ( -1.585 -0.000 0.000) 1.585 97.961 ( -0.060 0.000 0.000) 0.060 97.991 ( -0.032 0.024 0.000) 0.040 98.004 ( 0.141 0.030 0.000) 0.144 98.007 ( -0.076 -0.061 0.000) 0.097 98.144 ( 0.112 -0.001 0.000) 0.112 98.194 ( 0.054 -0.001 0.000) 0.054 98.236 ( -0.293 0.010 0.000) 0.293 98.254 ( -0.190 0.043 0.000) 0.194 98.282 ( 0.098 -0.011 0.000) 0.098 98.328 ( 0.077 -0.902 0.000) 0.905 98.330 ( 0.113 0.858 0.000) 0.866 98.340 ( 0.175 0.001 0.000) 0.175 100.767 ( -0.005 0.005 0.000) 0.007 100.793 ( -0.005 -0.019 0.000) 0.020 100.798 ( -0.030 0.008 0.000) 0.031 100.807 ( 0.036 0.006 0.000) 0.037 100.946 ( 0.138 -0.003 0.000) 0.138 100.950 ( 0.043 -0.001 0.000) 0.043 100.974 ( -0.072 -0.008 0.000) 0.073 100.980 ( 0.005 0.026 0.000) 0.027 100.981 ( -0.175 0.007 0.000) 0.176 100.997 ( -0.006 -0.003 0.000) 0.007 101.016 ( 0.015 -0.005 0.000) 0.016 101.029 ( 0.060 -0.000 0.000) 0.060 ======================= Grid point 8 (5/39) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 15.283 14.645 0.000) 21.167 0.849 ( 21.509 17.733 0.000) 27.876 1.162 ( 25.167 27.236 0.000) 37.083 1.792 ( -1.691 -2.424 0.000) 2.956 1.867 ( 7.116 3.365 0.000) 7.871 1.889 ( -0.851 2.140 0.000) 2.303 2.019 ( 8.858 12.259 0.000) 15.124 2.065 ( 6.652 2.431 0.000) 7.083 2.157 ( -8.910 -5.187 0.000) 10.310 2.251 ( -1.641 -1.885 0.000) 2.499 2.268 ( -1.187 0.727 0.000) 1.392 2.515 ( 4.719 -0.107 0.000) 4.720 2.580 ( 2.454 4.472 0.000) 5.101 2.700 ( 3.861 2.505 0.000) 4.602 2.796 ( -4.745 1.120 0.000) 4.875 2.848 ( 3.815 -1.469 0.000) 4.088 2.987 ( 1.111 -4.464 0.000) 4.600 3.054 ( -2.369 2.575 0.000) 3.499 3.104 ( -3.257 -0.217 0.000) 3.265 3.236 ( 2.550 -1.013 0.000) 2.743 3.317 ( -7.378 -3.649 0.000) 8.231 3.387 ( -1.763 -1.526 0.000) 2.332 3.406 ( -3.304 -1.354 0.000) 3.571 3.465 ( 2.133 1.053 0.000) 2.379 3.475 ( 0.615 2.055 0.000) 2.145 3.572 ( -0.187 -0.386 0.000) 0.429 3.698 ( -3.886 -0.518 0.000) 3.921 3.710 ( -2.989 -2.616 0.000) 3.972 3.844 ( 0.252 2.928 0.000) 2.939 3.891 ( 4.617 -3.330 0.000) 5.693 3.951 ( 0.269 3.112 0.000) 3.124 3.996 ( 1.492 6.196 0.000) 6.373 4.051 ( -1.133 -4.432 0.000) 4.574 4.198 ( -4.820 0.142 0.000) 4.822 4.209 ( 4.606 -3.811 0.000) 5.978 4.288 ( -0.918 0.126 0.000) 0.927 4.355 ( 5.240 -5.582 0.000) 7.656 4.396 ( -2.100 -1.406 0.000) 2.527 4.566 ( -1.217 -4.328 0.000) 4.496 4.597 ( -0.690 1.617 0.000) 1.758 4.743 ( -5.214 5.316 0.000) 7.446 4.821 ( 5.361 2.288 0.000) 5.829 4.895 ( 6.099 -1.127 0.000) 6.203 4.999 ( -2.062 0.071 0.000) 2.064 5.136 ( 5.992 1.833 0.000) 6.266 5.182 ( 3.095 5.932 0.000) 6.691 5.254 ( -0.861 8.392 0.000) 8.437 5.359 ( 9.274 2.294 0.000) 9.554 5.362 ( 0.717 -3.762 0.000) 3.830 5.610 ( -7.801 1.696 0.000) 7.984 5.683 ( -1.408 1.685 0.000) 2.196 5.859 ( 2.054 -3.779 0.000) 4.301 6.052 ( -4.483 -3.895 0.000) 5.938 6.233 ( -1.437 -2.622 0.000) 2.990 6.280 ( -4.111 -4.445 0.000) 6.054 6.318 ( 0.875 0.602 0.000) 1.062 6.649 ( 2.189 -0.192 0.000) 2.197 6.783 ( -0.252 0.123 0.000) 0.281 6.955 ( -4.103 2.608 0.000) 4.862 7.115 ( 0.399 -3.412 0.000) 3.435 7.314 ( 2.310 -4.786 0.000) 5.314 7.360 ( -4.269 1.818 0.000) 4.640 7.851 ( -4.943 -4.002 0.000) 6.360 7.885 ( -4.345 -3.909 0.000) 5.845 7.994 ( -0.940 -1.424 0.000) 1.706 8.063 ( 2.454 3.075 0.000) 3.935 8.240 ( 4.753 3.002 0.000) 5.621 8.504 ( -0.147 0.864 0.000) 0.876 8.542 ( -1.786 0.943 0.000) 2.019 8.646 ( 1.402 1.321 0.000) 1.927 8.647 ( 0.283 -1.075 0.000) 1.111 8.797 ( -2.358 -1.991 0.000) 3.086 9.080 ( -0.464 -5.639 0.000) 5.658 9.340 ( -2.070 10.790 0.000) 10.987 9.465 ( -5.811 -11.705 0.000) 13.068 9.493 ( 9.929 2.503 0.000) 10.240 10.107 ( -0.340 -0.437 0.000) 0.553 10.247 ( 4.035 -0.339 0.000) 4.049 10.330 ( 1.470 6.139 0.000) 6.313 10.599 ( -2.821 -0.517 0.000) 2.868 10.721 ( -0.512 -0.392 0.000) 0.645 10.746 ( 0.101 0.567 0.000) 0.576 10.905 ( -1.159 -1.716 0.000) 2.070 11.325 ( -3.086 -3.215 0.000) 4.457 11.524 ( -2.798 -2.683 0.000) 3.876 11.561 ( 0.854 0.828 0.000) 1.189 12.424 ( 0.890 2.250 0.000) 2.420 12.479 ( 4.084 0.594 0.000) 4.127 12.489 ( 4.110 2.797 0.000) 4.972 12.645 ( -3.618 3.114 0.000) 4.774 13.444 ( -2.861 -1.944 0.000) 3.459 13.573 ( 3.879 3.048 0.000) 4.933 14.219 ( -8.255 1.489 0.000) 8.388 14.333 ( 4.173 -7.739 0.000) 8.793 14.670 ( 4.376 4.365 0.000) 6.181 14.842 ( 6.679 6.924 0.000) 9.620 15.600 ( -0.141 0.001 0.000) 0.141 15.618 ( -1.328 -2.989 0.000) 3.271 15.819 ( -5.682 -0.746 0.000) 5.730 15.950 ( 4.263 0.444 0.000) 4.286 15.995 ( -2.425 -1.105 0.000) 2.665 16.263 ( -3.893 -1.862 0.000) 4.315 16.271 ( -3.021 -2.540 0.000) 3.947 16.405 ( 0.376 -1.941 0.000) 1.977 16.746 ( -0.251 -1.372 0.000) 1.395 16.811 ( -0.936 -0.405 0.000) 1.020 16.963 ( 0.068 0.243 0.000) 0.253 17.330 ( -2.784 -2.919 0.000) 4.034 43.664 ( -0.749 -0.748 0.000) 1.059 43.731 ( -0.365 -0.369 0.000) 0.519 44.151 ( 1.345 0.710 0.000) 1.521 44.158 ( 0.952 1.588 0.000) 1.852 44.171 ( 0.456 -0.173 0.000) 0.488 44.181 ( -0.091 0.305 0.000) 0.319 44.367 ( -0.482 -1.799 0.000) 1.863 44.401 ( -0.663 0.670 0.000) 0.942 44.480 ( 0.620 2.857 0.000) 2.924 44.502 ( 2.594 0.580 0.000) 2.658 44.998 ( -1.245 -1.246 0.000) 1.762 45.202 ( -1.941 -1.940 0.000) 2.744 97.965 ( -0.130 -0.132 0.000) 0.185 97.991 ( -0.040 -0.123 0.000) 0.129 97.999 ( 0.142 0.176 0.000) 0.226 98.009 ( -0.047 0.022 0.000) 0.052 98.138 ( 0.154 0.156 0.000) 0.219 98.191 ( 0.091 0.091 0.000) 0.128 98.262 ( -0.243 -0.424 0.000) 0.489 98.266 ( -0.330 -0.146 0.000) 0.360 98.279 ( 0.291 -0.577 0.000) 0.646 98.290 ( -0.891 0.050 0.000) 0.892 98.330 ( 0.587 0.584 0.000) 0.828 98.342 ( 0.622 0.553 0.000) 0.833 100.768 ( 0.029 0.022 0.000) 0.036 100.794 ( -0.146 -0.123 0.000) 0.191 100.801 ( 0.075 0.078 0.000) 0.109 100.803 ( 0.034 0.015 0.000) 0.037 100.939 ( 0.160 0.162 0.000) 0.228 100.947 ( 0.060 0.061 0.000) 0.085 100.978 ( -0.092 -0.014 0.000) 0.093 100.981 ( -0.009 -0.141 0.000) 0.142 100.993 ( -0.170 -0.200 0.000) 0.262 100.995 ( -0.124 -0.098 0.000) 0.158 101.016 ( 0.045 0.060 0.000) 0.075 101.025 ( 0.167 0.168 0.000) 0.237 ======================= Grid point 9 (6/39) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 18.519 7.595 0.000) 20.016 1.233 ( 17.639 17.979 0.000) 25.187 1.740 ( -3.750 -3.333 0.000) 5.017 1.793 ( 29.995 4.884 0.000) 30.390 1.838 ( -4.458 3.850 0.000) 5.890 1.985 ( -5.180 -3.091 0.000) 6.032 2.043 ( 8.869 0.186 0.000) 8.871 2.120 ( -2.108 9.668 0.000) 9.895 2.208 ( 4.997 2.236 0.000) 5.475 2.300 ( 3.364 0.289 0.000) 3.376 2.338 ( 13.219 1.655 0.000) 13.322 2.491 ( -2.439 2.430 0.000) 3.443 2.702 ( -3.008 1.230 0.000) 3.249 2.724 ( 5.907 -1.619 0.000) 6.125 2.760 ( 2.679 1.525 0.000) 3.083 2.896 ( -1.976 -5.386 0.000) 5.737 3.003 ( -1.731 2.591 0.000) 3.116 3.040 ( 3.725 -4.887 0.000) 6.145 3.046 ( -0.597 0.811 0.000) 1.007 3.149 ( -5.627 -3.220 0.000) 6.483 3.227 ( -5.348 -3.237 0.000) 6.252 3.324 ( -3.963 1.840 0.000) 4.369 3.369 ( -0.606 -0.502 0.000) 0.787 3.449 ( -3.727 3.496 0.000) 5.110 3.467 ( -1.351 -1.270 0.000) 1.854 3.566 ( 0.837 2.077 0.000) 2.239 3.664 ( -1.306 2.522 0.000) 2.840 3.675 ( -0.218 -1.594 0.000) 1.609 3.815 ( -1.428 4.628 0.000) 4.843 3.925 ( -0.876 0.210 0.000) 0.901 3.944 ( -2.427 5.300 0.000) 5.829 3.980 ( -6.988 -2.677 0.000) 7.483 4.003 ( -0.163 3.608 0.000) 3.612 4.202 ( 5.355 -2.760 0.000) 6.024 4.253 ( 1.984 2.608 0.000) 3.277 4.258 ( -1.372 -2.067 0.000) 2.481 4.421 ( -0.693 6.212 0.000) 6.251 4.438 ( 4.725 -1.092 0.000) 4.849 4.541 ( -1.320 -1.527 0.000) 2.018 4.611 ( -1.702 0.539 0.000) 1.785 4.671 ( 4.473 0.223 0.000) 4.479 4.898 ( 0.630 3.645 0.000) 3.699 4.979 ( 0.386 -1.507 0.000) 1.556 5.035 ( 6.611 0.006 0.000) 6.611 5.194 ( -1.993 5.948 0.000) 6.273 5.262 ( 1.069 1.313 0.000) 1.693 5.282 ( 3.215 5.887 0.000) 6.708 5.293 ( -3.318 1.274 0.000) 3.554 5.532 ( 7.427 -0.196 0.000) 7.430 5.549 ( 3.129 -0.718 0.000) 3.210 5.676 ( 0.066 -1.429 0.000) 1.431 5.868 ( -0.213 -1.297 0.000) 1.314 5.935 ( -6.174 -5.127 0.000) 8.025 6.162 ( -7.148 -3.042 0.000) 7.768 6.227 ( 0.783 -5.925 0.000) 5.976 6.325 ( -1.179 -2.741 0.000) 2.984 6.651 ( -1.325 3.624 0.000) 3.858 6.742 ( -4.514 4.783 0.000) 6.577 6.923 ( 2.468 -5.651 0.000) 6.166 7.155 ( 0.560 -3.342 0.000) 3.388 7.255 ( -2.385 2.588 0.000) 3.519 7.378 ( 2.404 -5.138 0.000) 5.673 7.755 ( -6.396 1.538 0.000) 6.578 7.788 ( -2.176 -5.184 0.000) 5.622 8.013 ( 1.568 -4.645 0.000) 4.903 8.113 ( 2.120 0.928 0.000) 2.314 8.293 ( 1.200 6.207 0.000) 6.322 8.470 ( -4.179 1.703 0.000) 4.512 8.501 ( 0.064 -0.065 0.000) 0.091 8.651 ( -0.189 -3.081 0.000) 3.086 8.664 ( 0.244 2.231 0.000) 2.244 8.731 ( -3.300 -1.252 0.000) 3.530 9.062 ( -1.830 -7.455 0.000) 7.676 9.336 ( 2.241 13.282 0.000) 13.469 9.404 ( -1.587 -17.237 0.000) 17.310 9.697 ( 9.144 2.024 0.000) 9.365 10.088 ( -1.786 -0.387 0.000) 1.827 10.263 ( -2.637 9.758 0.000) 10.108 10.378 ( 4.246 1.111 0.000) 4.388 10.555 ( -1.519 -1.650 0.000) 2.243 10.712 ( -0.239 -0.711 0.000) 0.751 10.747 ( 0.204 -0.178 0.000) 0.271 10.881 ( -1.017 -1.027 0.000) 1.445 11.209 ( -7.588 -3.453 0.000) 8.337 11.492 ( -0.260 0.435 0.000) 0.507 11.583 ( 1.145 0.481 0.000) 1.242 12.449 ( 1.511 2.105 0.000) 2.591 12.473 ( -3.070 7.721 0.000) 8.309 12.581 ( 4.220 0.905 0.000) 4.316 12.685 ( 6.021 -3.895 0.000) 7.171 13.394 ( -1.938 -3.914 0.000) 4.367 13.643 ( 2.736 5.893 0.000) 6.497 14.060 ( -7.018 0.866 0.000) 7.071 14.354 ( -0.653 -1.450 0.000) 1.590 14.802 ( 8.286 3.100 0.000) 8.847 15.036 ( 10.377 3.836 0.000) 11.063 15.554 ( -6.349 1.467 0.000) 6.517 15.591 ( -0.764 -0.471 0.000) 0.897 15.719 ( -2.397 -5.424 0.000) 5.930 15.945 ( -2.093 -2.488 0.000) 3.251 16.030 ( 3.342 1.107 0.000) 3.520 16.146 ( -6.298 -0.557 0.000) 6.322 16.190 ( -4.504 -2.084 0.000) 4.962 16.427 ( 0.642 -5.128 0.000) 5.167 16.736 ( -1.041 0.390 0.000) 1.111 16.798 ( 0.106 -1.634 0.000) 1.638 16.976 ( 1.457 -0.198 0.000) 1.470 17.253 ( -4.479 -2.527 0.000) 5.142 43.647 ( -0.781 -0.698 0.000) 1.047 43.722 ( -0.384 -0.309 0.000) 0.493 44.156 ( 0.032 2.213 0.000) 2.213 44.174 ( -0.251 0.313 0.000) 0.401 44.184 ( 0.479 -0.309 0.000) 0.570 44.209 ( 2.825 -0.009 0.000) 2.825 44.348 ( -0.959 -0.778 0.000) 1.235 44.408 ( 0.748 -0.051 0.000) 0.750 44.486 ( 0.043 3.065 0.000) 3.065 44.565 ( 3.340 0.049 0.000) 3.340 44.966 ( -1.726 -1.279 0.000) 2.148 45.150 ( -2.872 -1.848 0.000) 3.415 97.962 ( -0.136 -0.070 0.000) 0.153 97.990 ( -0.060 -0.191 0.000) 0.200 98.002 ( 0.188 0.134 0.000) 0.230 98.008 ( -0.063 0.037 0.000) 0.073 98.142 ( 0.225 0.174 0.000) 0.285 98.193 ( 0.122 0.113 0.000) 0.166 98.248 ( -0.730 0.108 0.000) 0.738 98.268 ( 0.181 -0.791 0.000) 0.811 98.268 ( -0.697 0.387 0.000) 0.798 98.294 ( 0.419 -1.355 0.000) 1.418 98.341 ( 0.502 0.638 0.000) 0.812 98.351 ( 0.291 0.939 0.000) 0.983 100.768 ( 0.036 0.101 0.000) 0.107 100.792 ( -0.075 -0.144 0.000) 0.163 100.801 ( -0.077 0.107 0.000) 0.132 100.805 ( 0.106 -0.076 0.000) 0.131 100.943 ( 0.241 0.157 0.000) 0.288 100.949 ( 0.086 0.067 0.000) 0.109 100.976 ( -0.102 -0.046 0.000) 0.112 100.980 ( -0.042 -0.117 0.000) 0.124 100.987 ( -0.335 -0.017 0.000) 0.335 100.994 ( -0.021 -0.256 0.000) 0.257 101.017 ( 0.044 0.093 0.000) 0.103 101.028 ( 0.155 0.151 0.000) 0.216 ======================= Grid point 10 (7/39) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 13.623 4.074 0.000) 14.220 1.582 ( 16.208 12.670 0.000) 20.573 1.605 ( -8.972 -0.105 0.000) 8.973 1.757 ( -1.377 2.580 0.000) 2.925 1.867 ( -12.979 6.304 0.000) 14.428 1.961 ( 2.021 -1.736 0.000) 2.664 2.219 ( 5.955 4.262 0.000) 7.323 2.283 ( 1.460 5.412 0.000) 5.605 2.342 ( 1.597 -1.562 0.000) 2.234 2.359 ( 12.524 -4.672 0.000) 13.367 2.434 ( -3.819 -3.186 0.000) 4.973 2.595 ( 3.566 -0.539 0.000) 3.606 2.662 ( 2.862 -8.965 0.000) 9.411 2.721 ( -3.230 -6.957 0.000) 7.670 2.852 ( 4.510 -2.200 0.000) 5.018 2.856 ( 3.402 7.064 0.000) 7.841 3.014 ( 2.028 -0.522 0.000) 2.094 3.063 ( -5.515 -1.835 0.000) 5.813 3.087 ( -1.313 2.534 0.000) 2.854 3.107 ( 2.102 -2.385 0.000) 3.179 3.142 ( 5.453 0.725 0.000) 5.501 3.250 ( -2.133 3.182 0.000) 3.830 3.310 ( -7.249 4.258 0.000) 8.407 3.384 ( 0.370 0.858 0.000) 0.934 3.452 ( 1.167 -3.609 0.000) 3.793 3.536 ( -7.070 2.722 0.000) 7.576 3.617 ( 1.248 5.939 0.000) 6.069 3.701 ( 2.310 1.993 0.000) 3.051 3.744 ( -6.487 1.549 0.000) 6.669 3.891 ( -1.236 3.757 0.000) 3.955 3.908 ( -1.028 2.961 0.000) 3.134 3.910 ( 1.630 -0.904 0.000) 1.864 4.026 ( 1.798 6.775 0.000) 7.009 4.185 ( -4.048 3.020 0.000) 5.050 4.319 ( 3.942 7.686 0.000) 8.638 4.340 ( 5.049 -4.910 0.000) 7.043 4.364 ( -3.317 5.019 0.000) 6.016 4.409 ( -6.345 -5.478 0.000) 8.383 4.585 ( 2.865 1.047 0.000) 3.050 4.606 ( 0.901 2.140 0.000) 2.322 4.777 ( 2.291 0.703 0.000) 2.397 4.891 ( 1.055 4.695 0.000) 4.812 4.968 ( -3.615 -2.939 0.000) 4.659 5.087 ( -3.215 1.893 0.000) 3.731 5.143 ( 3.082 -0.729 0.000) 3.167 5.226 ( -0.935 2.848 0.000) 2.998 5.333 ( 1.091 4.087 0.000) 4.230 5.335 ( 3.663 2.422 0.000) 4.392 5.601 ( 0.341 1.551 0.000) 1.588 5.657 ( 4.175 -1.985 0.000) 4.623 5.739 ( 4.394 -1.543 0.000) 4.657 5.833 ( -3.026 -5.169 0.000) 5.989 5.870 ( 1.594 -2.863 0.000) 3.277 6.018 ( -5.419 -2.569 0.000) 5.997 6.215 ( -6.117 -3.526 0.000) 7.061 6.282 ( 1.210 -6.687 0.000) 6.796 6.589 ( -3.762 4.324 0.000) 5.732 6.712 ( 2.031 4.681 0.000) 5.102 6.976 ( 1.205 -6.231 0.000) 6.347 7.127 ( -0.358 -2.264 0.000) 2.292 7.259 ( -0.256 1.083 0.000) 1.113 7.419 ( 1.753 -5.581 0.000) 5.849 7.664 ( -2.159 2.608 0.000) 3.385 7.743 ( -2.167 -3.016 0.000) 3.714 8.034 ( 0.252 -4.550 0.000) 4.557 8.155 ( 2.277 -1.401 0.000) 2.673 8.306 ( 0.064 6.687 0.000) 6.687 8.395 ( -2.481 1.483 0.000) 2.891 8.508 ( 0.635 -0.836 0.000) 1.050 8.636 ( -1.106 -3.063 0.000) 3.257 8.641 ( -1.676 0.847 0.000) 1.878 8.701 ( -0.092 -0.514 0.000) 0.522 9.020 ( -1.900 -7.213 0.000) 7.459 9.378 ( -1.156 -16.543 0.000) 16.583 9.407 ( 3.859 12.637 0.000) 13.213 9.846 ( 4.586 1.569 0.000) 4.847 10.032 ( -3.024 -0.531 0.000) 3.071 10.208 ( -2.005 10.228 0.000) 10.422 10.463 ( 3.797 -0.086 0.000) 3.798 10.526 ( -1.467 -0.327 0.000) 1.503 10.715 ( 0.494 -0.899 0.000) 1.026 10.757 ( 0.746 -0.678 0.000) 1.008 10.869 ( -0.515 -1.000 0.000) 1.125 11.066 ( -4.837 -1.706 0.000) 5.129 11.497 ( 0.352 0.852 0.000) 0.922 11.601 ( 0.499 0.193 0.000) 0.535 12.425 ( -1.254 6.619 0.000) 6.737 12.479 ( 1.163 2.276 0.000) 2.556 12.640 ( 1.220 -0.306 0.000) 1.258 12.802 ( 4.335 -2.266 0.000) 4.891 13.371 ( -0.258 -5.073 0.000) 5.079 13.678 ( 0.605 7.733 0.000) 7.757 13.950 ( -3.044 0.318 0.000) 3.061 14.337 ( -0.831 0.375 0.000) 0.912 14.981 ( 7.619 2.238 0.000) 7.941 15.205 ( 4.638 4.272 0.000) 6.305 15.381 ( -8.194 1.240 0.000) 8.287 15.573 ( -0.516 -1.215 0.000) 1.320 15.721 ( 1.584 -4.719 0.000) 4.977 15.920 ( -0.281 -3.188 0.000) 3.200 16.041 ( -3.014 -0.795 0.000) 3.117 16.071 ( -0.961 -0.356 0.000) 1.024 16.113 ( -0.882 -0.449 0.000) 0.990 16.428 ( -0.340 -5.925 0.000) 5.935 16.709 ( -1.257 0.829 0.000) 1.506 16.811 ( 0.720 -1.779 0.000) 1.919 17.028 ( 3.390 -0.965 0.000) 3.525 17.157 ( -4.512 -1.903 0.000) 4.897 43.636 ( -0.306 -0.667 0.000) 0.734 43.717 ( -0.154 -0.268 0.000) 0.309 44.156 ( -0.037 2.187 0.000) 2.188 44.169 ( -0.233 0.275 0.000) 0.361 44.192 ( 0.215 -0.350 0.000) 0.411 44.255 ( 1.344 -0.031 0.000) 1.344 44.334 ( -0.367 -0.577 0.000) 0.684 44.421 ( 0.423 0.140 0.000) 0.445 44.486 ( -0.021 2.903 0.000) 2.903 44.622 ( 1.763 -0.219 0.000) 1.776 44.937 ( -0.853 -1.313 0.000) 1.566 45.100 ( -1.564 -1.779 0.000) 2.369 97.960 ( -0.053 -0.041 0.000) 0.067 97.989 ( -0.054 -0.191 0.000) 0.199 98.005 ( 0.093 0.074 0.000) 0.119 98.007 ( -0.008 0.053 0.000) 0.053 98.146 ( 0.119 0.192 0.000) 0.226 98.195 ( 0.061 0.132 0.000) 0.145 98.237 ( -0.320 0.071 0.000) 0.328 98.257 ( -0.303 0.222 0.000) 0.375 98.271 ( 0.097 -0.862 0.000) 0.868 98.300 ( 0.204 -1.328 0.000) 1.344 98.349 ( 0.185 0.672 0.000) 0.697 98.355 ( 0.089 1.062 0.000) 1.065 100.769 ( 0.006 0.165 0.000) 0.165 100.791 ( 0.012 -0.157 0.000) 0.157 100.799 ( -0.052 0.039 0.000) 0.066 100.807 ( 0.030 -0.063 0.000) 0.070 100.948 ( 0.141 0.155 0.000) 0.209 100.950 ( 0.046 0.073 0.000) 0.086 100.974 ( -0.053 -0.031 0.000) 0.061 100.979 ( -0.037 -0.133 0.000) 0.138 100.981 ( -0.182 0.003 0.000) 0.182 100.994 ( -0.002 -0.265 0.000) 0.265 101.018 ( 0.023 0.107 0.000) 0.109 101.031 ( 0.059 0.144 0.000) 0.155 ======================= Grid point 11 (8/39) ======================= q-point: (-0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -14.011 2.744 0.000) 14.277 1.546 ( -17.208 11.572 0.000) 20.737 1.631 ( 6.181 0.918 0.000) 6.249 1.798 ( 5.543 2.350 0.000) 6.020 1.884 ( 12.707 8.487 0.000) 15.280 2.018 ( 1.254 1.013 0.000) 1.612 2.232 ( -6.849 1.714 0.000) 7.061 2.259 ( -2.167 1.633 0.000) 2.713 2.287 ( -12.063 -4.994 0.000) 13.056 2.328 ( -2.643 2.966 0.000) 3.972 2.434 ( 4.279 -6.356 0.000) 7.663 2.492 ( -12.217 -1.097 0.000) 12.266 2.632 ( -4.647 -6.720 0.000) 8.170 2.785 ( 4.574 -8.424 0.000) 9.585 2.868 ( -2.654 7.320 0.000) 7.786 2.901 ( -0.240 -4.976 0.000) 4.982 2.991 ( -2.795 -0.546 0.000) 2.848 3.074 ( 3.760 2.299 0.000) 4.407 3.104 ( 2.632 1.959 0.000) 3.281 3.146 ( -0.356 -2.255 0.000) 2.283 3.164 ( -4.440 2.724 0.000) 5.209 3.268 ( 4.121 2.607 0.000) 4.876 3.283 ( 4.713 3.189 0.000) 5.691 3.445 ( 3.246 2.676 0.000) 4.207 3.521 ( 10.146 1.858 0.000) 10.314 3.526 ( 4.056 -2.634 0.000) 4.836 3.619 ( -3.764 -2.287 0.000) 4.404 3.623 ( -1.782 5.678 0.000) 5.951 3.754 ( 2.804 5.596 0.000) 6.259 3.851 ( -3.034 4.053 0.000) 5.062 3.907 ( 1.726 5.057 0.000) 5.343 3.981 ( 4.395 -3.229 0.000) 5.454 4.065 ( 1.860 7.728 0.000) 7.949 4.124 ( -1.199 3.095 0.000) 3.320 4.264 ( -6.718 -7.961 0.000) 10.417 4.296 ( -3.034 4.672 0.000) 5.570 4.377 ( 0.977 7.986 0.000) 8.045 4.385 ( -1.053 -3.631 0.000) 3.780 4.575 ( -3.454 0.480 0.000) 3.487 4.626 ( 0.852 0.781 0.000) 1.156 4.751 ( -2.429 4.667 0.000) 5.261 4.889 ( -0.904 -4.298 0.000) 4.392 4.942 ( 1.286 4.636 0.000) 4.811 5.079 ( 0.939 0.467 0.000) 1.049 5.126 ( -4.373 -3.184 0.000) 5.410 5.251 ( 2.790 4.006 0.000) 4.882 5.346 ( 0.661 5.497 0.000) 5.537 5.410 ( 1.758 4.000 0.000) 4.370 5.591 ( -0.162 -0.515 0.000) 0.540 5.631 ( -6.510 -2.716 0.000) 7.054 5.745 ( -2.004 -0.102 0.000) 2.007 5.850 ( 4.202 -5.685 0.000) 7.069 5.929 ( -1.319 -0.932 0.000) 1.615 6.012 ( 4.800 -2.054 0.000) 5.221 6.100 ( 0.016 -7.985 0.000) 7.985 6.323 ( 1.442 -4.836 0.000) 5.046 6.544 ( -0.197 3.608 0.000) 3.614 6.770 ( 2.717 4.763 0.000) 5.483 6.985 ( 0.803 -3.720 0.000) 3.805 7.132 ( -1.247 -4.620 0.000) 4.785 7.228 ( -1.268 1.464 0.000) 1.936 7.437 ( -0.455 -5.594 0.000) 5.613 7.669 ( 2.619 2.921 0.000) 3.923 7.721 ( 0.737 -3.136 0.000) 3.222 8.025 ( -0.939 -4.950 0.000) 5.039 8.185 ( -0.564 -1.369 0.000) 1.481 8.295 ( -0.828 4.580 0.000) 4.654 8.408 ( 4.271 5.716 0.000) 7.135 8.525 ( 0.859 -0.434 0.000) 0.962 8.613 ( -0.873 -3.592 0.000) 3.697 8.631 ( 0.953 -1.562 0.000) 1.829 8.696 ( -0.490 -0.211 0.000) 0.533 8.992 ( -0.695 -5.460 0.000) 5.504 9.353 ( -1.193 -16.019 0.000) 16.063 9.471 ( 2.174 12.060 0.000) 12.254 9.812 ( -7.485 0.361 0.000) 7.494 10.033 ( 2.757 -0.357 0.000) 2.780 10.190 ( 0.213 8.984 0.000) 8.987 10.489 ( -2.285 1.178 0.000) 2.571 10.532 ( 2.947 -0.748 0.000) 3.040 10.728 ( 0.566 -0.648 0.000) 0.860 10.775 ( 0.469 -0.068 0.000) 0.474 10.833 ( -1.761 -1.968 0.000) 2.641 11.070 ( 4.802 -1.559 0.000) 5.049 11.499 ( -0.159 0.861 0.000) 0.875 11.601 ( -0.556 0.185 0.000) 0.586 12.422 ( 0.751 6.238 0.000) 6.283 12.491 ( -0.096 2.704 0.000) 2.706 12.627 ( -2.330 -0.770 0.000) 2.454 12.834 ( -1.394 -1.751 0.000) 2.238 13.381 ( 1.153 -5.305 0.000) 5.429 13.670 ( -1.279 8.021 0.000) 8.122 13.957 ( 3.895 0.474 0.000) 3.923 14.320 ( -0.906 0.197 0.000) 0.927 14.983 ( -7.654 2.335 0.000) 8.002 15.186 ( -5.868 3.754 0.000) 6.966 15.361 ( 6.519 0.525 0.000) 6.540 15.585 ( 1.117 -0.751 0.000) 1.346 15.763 ( 2.312 -4.161 0.000) 4.760 15.931 ( 1.283 -3.131 0.000) 3.384 16.009 ( -3.204 -0.335 0.000) 3.221 16.051 ( 3.912 -0.516 0.000) 3.945 16.149 ( 2.669 -0.456 0.000) 2.708 16.420 ( -0.447 -6.227 0.000) 6.243 16.694 ( -0.030 0.505 0.000) 0.506 16.818 ( -0.099 -1.460 0.000) 1.464 17.042 ( -3.182 -0.593 0.000) 3.237 17.145 ( 4.422 -2.239 0.000) 4.957 43.636 ( 0.308 -0.667 0.000) 0.735 43.716 ( 0.147 -0.269 0.000) 0.307 44.155 ( -0.058 2.153 0.000) 2.153 44.166 ( -0.017 0.236 0.000) 0.236 44.193 ( -0.112 -0.313 0.000) 0.333 44.256 ( -1.248 0.005 0.000) 1.248 44.332 ( 0.179 -0.556 0.000) 0.584 44.423 ( -0.236 0.171 0.000) 0.292 44.488 ( 0.290 2.870 0.000) 2.884 44.621 ( -1.875 -0.233 0.000) 1.889 44.937 ( 0.850 -1.314 0.000) 1.565 45.100 ( 1.565 -1.779 0.000) 2.369 97.960 ( 0.053 -0.040 0.000) 0.067 97.988 ( 0.005 -0.189 0.000) 0.190 98.005 ( -0.095 0.066 0.000) 0.116 98.008 ( 0.073 0.059 0.000) 0.094 98.146 ( -0.116 0.193 0.000) 0.225 98.195 ( -0.059 0.133 0.000) 0.145 98.236 ( 0.288 0.059 0.000) 0.294 98.256 ( 0.162 0.177 0.000) 0.240 98.271 ( -0.064 -0.852 0.000) 0.854 98.302 ( -0.036 -1.309 0.000) 1.309 98.349 ( -0.186 0.673 0.000) 0.698 98.354 ( -0.116 1.086 0.000) 1.092 100.769 ( -0.019 0.159 0.000) 0.161 100.791 ( 0.021 -0.152 0.000) 0.154 100.799 ( 0.051 0.044 0.000) 0.067 100.806 ( -0.048 -0.068 0.000) 0.083 100.948 ( -0.135 0.157 0.000) 0.207 100.950 ( -0.043 0.073 0.000) 0.085 100.974 ( 0.086 -0.022 0.000) 0.088 100.979 ( -0.035 -0.143 0.000) 0.147 100.981 ( 0.163 -0.005 0.000) 0.163 100.994 ( 0.013 -0.260 0.000) 0.260 101.018 ( -0.013 0.106 0.000) 0.107 101.031 ( -0.058 0.144 0.000) 0.155 ======================= Grid point 12 (9/39) ======================= q-point: (-0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -16.547 7.382 0.000) 18.119 1.190 ( -17.129 17.994 0.000) 24.843 1.726 ( 3.949 -1.751 0.000) 4.320 1.809 ( -31.209 6.158 0.000) 31.811 1.931 ( 3.262 3.546 0.000) 4.818 1.980 ( 0.234 -1.997 0.000) 2.010 1.982 ( -6.354 4.614 0.000) 7.852 2.160 ( 5.397 0.450 0.000) 5.416 2.211 ( -4.245 -4.184 0.000) 5.960 2.278 ( -10.860 5.243 0.000) 12.059 2.290 ( -1.005 5.438 0.000) 5.530 2.517 ( 0.391 3.600 0.000) 3.621 2.598 ( 3.647 -6.547 0.000) 7.495 2.761 ( -6.198 5.521 0.000) 8.300 2.826 ( 0.377 0.596 0.000) 0.705 2.848 ( -3.775 -3.118 0.000) 4.897 2.953 ( -0.914 -0.048 0.000) 0.915 3.104 ( -2.457 -2.236 0.000) 3.323 3.109 ( -0.136 -2.079 0.000) 2.083 3.168 ( 4.632 -1.822 0.000) 4.977 3.207 ( 5.893 -3.989 0.000) 7.116 3.352 ( 2.690 1.323 0.000) 2.997 3.363 ( 3.286 0.708 0.000) 3.362 3.497 ( 0.346 2.160 0.000) 2.188 3.514 ( -2.160 -1.296 0.000) 2.519 3.561 ( -1.497 2.657 0.000) 3.050 3.650 ( 3.410 -3.284 0.000) 4.734 3.733 ( 1.647 2.169 0.000) 2.724 3.783 ( 2.369 2.039 0.000) 3.126 3.833 ( 4.219 5.535 0.000) 6.959 3.963 ( 2.272 4.862 0.000) 5.367 4.037 ( -1.583 -4.781 0.000) 5.036 4.103 ( 0.032 8.981 0.000) 8.981 4.142 ( 4.503 -3.894 0.000) 5.953 4.157 ( -2.724 -5.189 0.000) 5.860 4.270 ( 1.012 6.742 0.000) 6.817 4.326 ( -3.227 0.438 0.000) 3.257 4.384 ( 0.172 1.161 0.000) 1.174 4.506 ( -0.577 0.232 0.000) 0.621 4.627 ( -1.074 -3.668 0.000) 3.822 4.738 ( 2.023 8.456 0.000) 8.694 4.894 ( -5.449 -1.560 0.000) 5.668 4.944 ( 4.364 -2.390 0.000) 4.976 5.012 ( -6.565 2.683 0.000) 7.092 5.115 ( 2.515 1.902 0.000) 3.153 5.301 ( 1.168 5.472 0.000) 5.595 5.339 ( -6.674 2.205 0.000) 7.029 5.352 ( -0.583 5.792 0.000) 5.822 5.466 ( -8.490 -1.122 0.000) 8.564 5.626 ( 1.196 -4.205 0.000) 4.372 5.727 ( 0.729 -0.265 0.000) 0.776 5.825 ( -4.523 -0.257 0.000) 4.531 5.953 ( 5.342 -5.565 0.000) 7.714 6.153 ( 7.516 -2.664 0.000) 7.974 6.174 ( 3.684 -6.419 0.000) 7.400 6.331 ( -0.400 -2.513 0.000) 2.544 6.586 ( 3.905 4.151 0.000) 5.699 6.798 ( -0.299 2.029 0.000) 2.051 7.013 ( 0.083 -2.513 0.000) 2.515 7.074 ( -1.576 -3.737 0.000) 4.056 7.236 ( 1.902 1.742 0.000) 2.579 7.406 ( -2.139 -4.523 0.000) 5.003 7.764 ( 6.216 1.941 0.000) 6.512 7.775 ( 3.773 -5.699 0.000) 6.835 8.002 ( -1.208 -5.093 0.000) 5.235 8.135 ( -3.508 0.753 0.000) 3.588 8.274 ( -1.192 5.792 0.000) 5.914 8.514 ( 3.915 4.047 0.000) 5.631 8.527 ( -0.929 0.054 0.000) 0.931 8.616 ( 1.312 -3.193 0.000) 3.452 8.663 ( -0.097 1.670 0.000) 1.672 8.714 ( 4.457 -2.687 0.000) 5.204 9.002 ( 1.976 -2.749 0.000) 3.385 9.344 ( 1.193 -14.982 0.000) 15.029 9.486 ( -1.239 10.595 0.000) 10.667 9.614 ( -10.513 0.045 0.000) 10.513 10.085 ( 1.850 -0.347 0.000) 1.882 10.214 ( 1.917 7.429 0.000) 7.673 10.428 ( -3.767 2.402 0.000) 4.468 10.581 ( 1.680 -2.134 0.000) 2.716 10.726 ( -0.710 -0.471 0.000) 0.852 10.758 ( -0.823 -0.412 0.000) 0.920 10.856 ( 2.683 -1.070 0.000) 2.889 11.208 ( 7.448 -3.333 0.000) 8.160 11.496 ( 0.166 0.377 0.000) 0.412 11.582 ( -1.107 0.485 0.000) 1.209 12.450 ( 1.866 6.333 0.000) 6.603 12.471 ( -1.823 2.239 0.000) 2.887 12.559 ( -3.840 0.731 0.000) 3.910 12.756 ( -5.575 -3.532 0.000) 6.599 13.410 ( 1.530 -4.625 0.000) 4.872 13.630 ( -2.488 6.607 0.000) 7.059 14.097 ( 9.062 0.525 0.000) 9.078 14.297 ( -1.367 -0.552 0.000) 1.475 14.802 ( -8.334 3.120 0.000) 8.899 15.019 ( -9.304 3.755 0.000) 10.033 15.515 ( 6.869 0.371 0.000) 6.879 15.598 ( 0.237 -0.371 0.000) 0.440 15.805 ( 1.387 -6.264 0.000) 6.416 15.960 ( -1.318 2.929 0.000) 3.212 15.965 ( 1.779 -2.906 0.000) 3.407 16.167 ( 6.343 -0.278 0.000) 6.349 16.210 ( 3.157 -1.993 0.000) 3.733 16.406 ( -0.906 -5.332 0.000) 5.408 16.711 ( 1.604 0.236 0.000) 1.622 16.811 ( -0.333 -1.249 0.000) 1.293 16.984 ( -1.954 -0.152 0.000) 1.959 17.247 ( 4.887 -2.564 0.000) 5.519 43.647 ( 0.781 -0.698 0.000) 1.047 43.722 ( 0.388 -0.309 0.000) 0.496 44.154 ( -0.057 2.137 0.000) 2.138 44.167 ( 0.149 0.286 0.000) 0.322 44.188 ( -0.346 -0.207 0.000) 0.403 44.212 ( -2.802 0.067 0.000) 2.803 44.342 ( 0.783 -0.514 0.000) 0.936 44.414 ( -0.571 -0.242 0.000) 0.620 44.495 ( 0.293 2.967 0.000) 2.981 44.559 ( -3.711 -0.002 0.000) 3.711 44.966 ( 1.728 -1.279 0.000) 2.150 45.150 ( 2.872 -1.848 0.000) 3.415 97.962 ( 0.135 -0.068 0.000) 0.152 97.989 ( 0.071 -0.158 0.000) 0.173 98.002 ( -0.154 0.114 0.000) 0.192 98.009 ( 0.014 0.016 0.000) 0.022 98.142 ( -0.228 0.174 0.000) 0.286 98.193 ( -0.124 0.113 0.000) 0.168 98.247 ( 0.722 0.084 0.000) 0.727 98.264 ( 0.611 0.297 0.000) 0.680 98.269 ( -0.185 -0.786 0.000) 0.807 98.298 ( -0.320 -1.311 0.000) 1.350 98.341 ( -0.503 0.641 0.000) 0.814 98.350 ( -0.290 1.001 0.000) 1.042 100.768 ( -0.027 0.100 0.000) 0.103 100.792 ( 0.056 -0.153 0.000) 0.163 100.801 ( 0.083 0.128 0.000) 0.152 100.805 ( -0.102 -0.087 0.000) 0.134 100.944 ( -0.245 0.157 0.000) 0.291 100.949 ( -0.087 0.067 0.000) 0.110 100.977 ( 0.165 -0.041 0.000) 0.170 100.978 ( -0.009 -0.104 0.000) 0.104 100.987 ( 0.340 -0.026 0.000) 0.341 100.995 ( 0.022 -0.247 0.000) 0.248 101.017 ( -0.046 0.087 0.000) 0.098 101.029 ( -0.155 0.150 0.000) 0.216 ======================= Grid point 16 (10/39) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 12.559 9.881 0.000) 15.980 1.565 ( 16.569 13.322 0.000) 21.261 1.683 ( -2.741 -2.214 0.000) 3.523 1.882 ( -4.642 -3.122 0.000) 5.594 1.966 ( -0.818 5.050 0.000) 5.116 1.988 ( 7.235 12.710 0.000) 14.625 2.088 ( 6.869 4.923 0.000) 8.451 2.216 ( 1.549 0.516 0.000) 1.633 2.254 ( 8.663 -3.511 0.000) 9.347 2.385 ( 3.947 8.508 0.000) 9.379 2.395 ( 4.515 4.517 0.000) 6.387 2.475 ( -4.907 -5.395 0.000) 7.293 2.564 ( 1.204 -6.653 0.000) 6.761 2.741 ( -3.459 -5.234 0.000) 6.274 2.764 ( -8.004 -0.380 0.000) 8.013 2.892 ( 6.024 6.806 0.000) 9.089 2.975 ( 2.611 -0.530 0.000) 2.664 3.060 ( -1.561 3.144 0.000) 3.510 3.086 ( -0.224 0.808 0.000) 0.838 3.132 ( -4.121 -3.247 0.000) 5.246 3.138 ( 1.936 3.658 0.000) 4.139 3.340 ( -2.024 -2.003 0.000) 2.848 3.373 ( 0.175 -0.174 0.000) 0.247 3.453 ( -4.470 0.924 0.000) 4.564 3.541 ( -0.154 4.779 0.000) 4.782 3.588 ( 1.594 0.372 0.000) 1.637 3.635 ( 2.395 -2.769 0.000) 3.661 3.760 ( -0.157 3.400 0.000) 3.404 3.842 ( 2.554 -4.260 0.000) 4.967 3.905 ( -2.213 1.682 0.000) 2.780 3.929 ( -3.844 -2.308 0.000) 4.483 4.004 ( -2.971 0.252 0.000) 2.982 4.099 ( 2.202 2.409 0.000) 3.264 4.114 ( 3.804 -1.627 0.000) 4.138 4.264 ( -1.913 0.929 0.000) 2.127 4.331 ( 10.123 1.736 0.000) 10.271 4.393 ( 0.862 -0.362 0.000) 0.934 4.506 ( 8.329 1.805 0.000) 8.522 4.534 ( 1.839 3.870 0.000) 4.285 4.601 ( 1.233 1.185 0.000) 1.710 4.791 ( -3.835 7.989 0.000) 8.862 4.905 ( 6.814 -0.007 0.000) 6.814 4.913 ( -0.749 -5.097 0.000) 5.152 5.117 ( 3.729 4.110 0.000) 5.549 5.150 ( -0.107 -4.672 0.000) 4.673 5.333 ( -3.301 0.603 0.000) 3.356 5.394 ( 0.757 4.463 0.000) 4.527 5.409 ( 2.918 8.682 0.000) 9.159 5.514 ( 3.705 -0.597 0.000) 3.753 5.564 ( 2.876 0.764 0.000) 2.975 5.695 ( -2.086 3.053 0.000) 3.698 5.814 ( -6.866 -6.247 0.000) 9.282 5.838 ( 0.364 0.225 0.000) 0.428 6.065 ( -5.878 -6.048 0.000) 8.434 6.089 ( -1.332 -7.580 0.000) 7.696 6.269 ( -4.013 -2.416 0.000) 4.684 6.661 ( 2.091 -3.321 0.000) 3.924 6.778 ( -1.071 0.900 0.000) 1.399 6.928 ( -6.156 4.120 0.000) 7.407 7.073 ( 1.946 -4.256 0.000) 4.680 7.270 ( 0.133 -2.256 0.000) 2.260 7.312 ( -1.863 0.589 0.000) 1.953 7.712 ( -1.146 -2.493 0.000) 2.744 7.780 ( -1.626 -0.035 0.000) 1.626 7.915 ( -1.521 -3.391 0.000) 3.717 8.135 ( -0.686 1.040 0.000) 1.246 8.349 ( 2.657 0.382 0.000) 2.684 8.514 ( -0.974 1.146 0.000) 1.504 8.516 ( -4.754 2.236 0.000) 5.254 8.580 ( -0.655 -3.296 0.000) 3.361 8.677 ( 1.409 -3.229 0.000) 3.523 8.716 ( 0.743 0.191 0.000) 0.767 8.946 ( -2.926 -4.065 0.000) 5.009 9.106 ( -7.413 -9.036 0.000) 11.688 9.600 ( 2.463 11.378 0.000) 11.642 9.729 ( 8.810 1.456 0.000) 8.929 10.067 ( -1.660 -1.728 0.000) 2.396 10.345 ( 5.115 0.213 0.000) 5.119 10.446 ( -1.124 3.798 0.000) 3.961 10.536 ( -1.085 -0.363 0.000) 1.145 10.718 ( -0.308 1.246 0.000) 1.283 10.739 ( -0.929 -0.506 0.000) 1.058 10.842 ( -0.360 -2.455 0.000) 2.481 11.114 ( -5.534 -5.415 0.000) 7.742 11.507 ( 0.676 0.850 0.000) 1.086 11.595 ( 0.711 0.656 0.000) 0.968 12.511 ( 1.633 3.423 0.000) 3.793 12.596 ( 2.415 0.560 0.000) 2.479 12.604 ( 7.210 -0.278 0.000) 7.215 12.667 ( -3.432 6.299 0.000) 7.173 13.326 ( -3.410 -2.759 0.000) 4.386 13.759 ( 5.449 5.037 0.000) 7.420 14.028 ( -5.532 -4.291 0.000) 7.001 14.329 ( 1.995 -0.041 0.000) 1.995 14.901 ( 6.551 6.617 0.000) 9.312 15.156 ( 8.855 7.434 0.000) 11.562 15.537 ( 1.433 -5.520 0.000) 5.703 15.583 ( -1.239 -0.403 0.000) 1.303 15.628 ( -9.846 -1.322 0.000) 9.934 15.894 ( -3.403 -2.461 0.000) 4.199 16.031 ( 3.097 -0.544 0.000) 3.145 16.113 ( -4.766 -3.195 0.000) 5.738 16.150 ( -3.427 -1.631 0.000) 3.795 16.316 ( -3.003 -4.512 0.000) 5.420 16.728 ( 1.140 -1.029 0.000) 1.536 16.778 ( -1.695 -0.103 0.000) 1.698 16.985 ( 0.494 1.194 0.000) 1.292 17.181 ( -3.731 -4.297 0.000) 5.690 43.631 ( -0.736 -0.735 0.000) 1.040 43.715 ( -0.321 -0.328 0.000) 0.459 44.176 ( 0.370 -0.227 0.000) 0.435 44.182 ( -0.296 0.170 0.000) 0.341 44.204 ( 1.813 1.072 0.000) 2.106 44.215 ( 0.974 1.717 0.000) 1.974 44.330 ( -0.581 -0.729 0.000) 0.932 44.422 ( 0.773 0.956 0.000) 1.229 44.554 ( 0.840 2.546 0.000) 2.681 44.563 ( 2.119 0.520 0.000) 2.182 44.933 ( -1.781 -1.784 0.000) 2.520 45.101 ( -2.764 -2.764 0.000) 3.909 97.960 ( -0.087 -0.086 0.000) 0.122 97.986 ( -0.104 -0.145 0.000) 0.178 98.005 ( 0.133 0.107 0.000) 0.171 98.009 ( -0.044 0.037 0.000) 0.057 98.147 ( 0.254 0.258 0.000) 0.362 98.196 ( 0.152 0.155 0.000) 0.217 98.248 ( -0.209 -0.412 0.000) 0.462 98.253 ( -0.464 -0.262 0.000) 0.533 98.271 ( 0.344 -0.810 0.000) 0.880 98.275 ( -0.905 0.258 0.000) 0.941 98.354 ( 0.549 0.549 0.000) 0.776 98.365 ( 0.513 0.503 0.000) 0.718 100.771 ( 0.156 0.138 0.000) 0.208 100.789 ( -0.110 -0.075 0.000) 0.133 100.800 ( -0.156 -0.151 0.000) 0.217 100.805 ( 0.094 0.072 0.000) 0.119 100.948 ( 0.238 0.244 0.000) 0.341 100.951 ( 0.094 0.097 0.000) 0.135 100.975 ( -0.109 -0.023 0.000) 0.111 100.977 ( -0.045 -0.167 0.000) 0.173 100.986 ( -0.133 -0.185 0.000) 0.228 100.989 ( -0.208 -0.164 0.000) 0.265 101.019 ( 0.074 0.082 0.000) 0.110 101.032 ( 0.145 0.146 0.000) 0.206 ======================= Grid point 17 (11/39) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 8.102 2.861 0.000) 8.592 1.608 ( -3.591 0.525 0.000) 3.629 1.843 ( -0.130 5.082 0.000) 5.084 1.854 ( 11.670 12.197 0.000) 16.881 1.941 ( 1.203 0.351 0.000) 1.253 1.994 ( -4.420 5.636 0.000) 7.162 2.214 ( -1.364 -7.635 0.000) 7.756 2.277 ( 7.066 -2.171 0.000) 7.392 2.335 ( -1.777 4.951 0.000) 5.260 2.372 ( -4.384 -0.602 0.000) 4.425 2.464 ( 0.905 4.409 0.000) 4.501 2.475 ( 3.769 -8.091 0.000) 8.926 2.526 ( -8.059 -5.862 0.000) 9.965 2.583 ( 0.211 -4.074 0.000) 4.079 2.833 ( 5.477 0.328 0.000) 5.487 2.968 ( 2.214 -0.404 0.000) 2.251 3.034 ( -1.412 5.242 0.000) 5.429 3.043 ( -3.175 2.931 0.000) 4.321 3.065 ( 4.480 -0.310 0.000) 4.491 3.161 ( 9.412 1.389 0.000) 9.514 3.214 ( 3.464 7.096 0.000) 7.897 3.295 ( -2.585 1.575 0.000) 3.027 3.367 ( -0.578 1.444 0.000) 1.555 3.400 ( 1.897 -1.318 0.000) 2.310 3.445 ( -8.302 4.253 0.000) 9.328 3.602 ( -1.540 2.964 0.000) 3.340 3.683 ( -3.048 -3.692 0.000) 4.787 3.732 ( -0.932 4.904 0.000) 4.992 3.776 ( -0.942 -0.256 0.000) 0.976 3.875 ( 1.581 -4.531 0.000) 4.799 3.932 ( 0.141 2.785 0.000) 2.789 3.982 ( 0.740 2.042 0.000) 2.172 4.140 ( 0.450 0.462 0.000) 0.645 4.215 ( -2.580 0.906 0.000) 2.735 4.231 ( 5.086 -3.439 0.000) 6.140 4.349 ( -3.558 4.290 0.000) 5.574 4.532 ( 7.870 8.456 0.000) 11.552 4.536 ( -2.097 8.926 0.000) 9.169 4.568 ( 0.531 0.230 0.000) 0.579 4.640 ( 0.835 2.303 0.000) 2.449 4.843 ( 5.992 4.131 0.000) 7.278 4.890 ( -2.970 -4.389 0.000) 5.300 4.994 ( 2.241 5.143 0.000) 5.610 5.081 ( -4.001 -1.975 0.000) 4.461 5.137 ( -1.425 0.602 0.000) 1.547 5.265 ( -1.048 0.348 0.000) 1.104 5.419 ( 1.132 3.572 0.000) 3.747 5.468 ( 3.124 9.319 0.000) 9.829 5.585 ( 3.684 -4.847 0.000) 6.088 5.657 ( -1.743 3.597 0.000) 3.997 5.702 ( -4.464 -7.002 0.000) 8.304 5.706 ( 8.150 -0.480 0.000) 8.164 5.824 ( -1.641 -1.192 0.000) 2.029 5.942 ( -4.443 -4.571 0.000) 6.375 6.119 ( 3.733 -8.578 0.000) 9.355 6.146 ( -8.005 -3.706 0.000) 8.822 6.651 ( -3.109 0.971 0.000) 3.257 6.775 ( 0.916 0.898 0.000) 1.282 6.874 ( 1.812 -2.221 0.000) 2.866 7.052 ( -2.729 -5.383 0.000) 6.035 7.280 ( 0.463 0.929 0.000) 1.038 7.315 ( 0.698 -3.271 0.000) 3.344 7.699 ( -0.593 -1.422 0.000) 1.540 7.731 ( -1.480 3.591 0.000) 3.884 7.918 ( 0.225 -5.931 0.000) 5.935 8.124 ( 0.191 -1.392 0.000) 1.405 8.379 ( -1.770 0.637 0.000) 1.881 8.444 ( 1.556 2.624 0.000) 3.051 8.502 ( 0.040 0.299 0.000) 0.302 8.569 ( -0.677 -3.047 0.000) 3.121 8.667 ( -3.911 2.138 0.000) 4.457 8.714 ( 0.811 1.104 0.000) 1.370 8.895 ( -1.586 -5.021 0.000) 5.266 9.035 ( -0.773 -15.157 0.000) 15.176 9.655 ( 2.764 10.927 0.000) 11.271 9.877 ( 4.668 1.250 0.000) 4.833 10.012 ( -3.243 -1.481 0.000) 3.565 10.376 ( -1.826 5.688 0.000) 5.974 10.452 ( 2.460 -0.841 0.000) 2.600 10.532 ( 0.075 0.719 0.000) 0.722 10.711 ( -0.131 0.583 0.000) 0.598 10.741 ( 1.106 -0.581 0.000) 1.249 10.835 ( -0.868 -2.058 0.000) 2.234 11.010 ( -3.368 -3.647 0.000) 4.964 11.519 ( 0.423 1.175 0.000) 1.249 11.607 ( 0.317 0.324 0.000) 0.453 12.542 ( 1.322 3.552 0.000) 3.790 12.593 ( -1.802 8.704 0.000) 8.888 12.631 ( 0.544 -0.514 0.000) 0.748 12.756 ( 4.886 -2.005 0.000) 5.281 13.278 ( -1.078 -3.837 0.000) 3.986 13.837 ( 1.943 7.249 0.000) 7.505 13.931 ( -2.946 -2.413 0.000) 3.808 14.351 ( 0.264 1.138 0.000) 1.168 15.053 ( 7.037 4.902 0.000) 8.576 15.324 ( 5.465 7.054 0.000) 8.923 15.408 ( -9.041 1.199 0.000) 9.120 15.550 ( -1.266 -0.800 0.000) 1.497 15.590 ( 2.153 -7.908 0.000) 8.196 15.846 ( -1.015 -3.706 0.000) 3.842 16.019 ( -3.078 -1.395 0.000) 3.379 16.050 ( -1.613 -1.337 0.000) 2.095 16.111 ( 0.423 0.123 0.000) 0.441 16.274 ( -1.245 -8.202 0.000) 8.296 16.728 ( -1.089 0.956 0.000) 1.449 16.770 ( 0.777 -1.948 0.000) 2.098 17.013 ( 2.323 -0.330 0.000) 2.347 17.103 ( -3.631 -3.090 0.000) 4.768 43.620 ( -0.290 -0.707 0.000) 0.764 43.710 ( -0.127 -0.282 0.000) 0.310 44.174 ( -0.229 0.245 0.000) 0.335 44.183 ( 0.188 -0.406 0.000) 0.448 44.210 ( -0.043 2.777 0.000) 2.778 44.255 ( 1.335 -0.013 0.000) 1.335 44.321 ( -0.244 -0.576 0.000) 0.625 44.437 ( 0.515 1.087 0.000) 1.203 44.551 ( -0.187 3.252 0.000) 3.257 44.615 ( 1.668 -0.486 0.000) 1.737 44.903 ( -0.885 -1.843 0.000) 2.045 45.052 ( -1.524 -2.690 0.000) 3.091 97.959 ( -0.038 -0.056 0.000) 0.068 97.985 ( -0.049 -0.172 0.000) 0.179 98.007 ( 0.054 0.071 0.000) 0.089 98.008 ( -0.002 0.047 0.000) 0.047 98.151 ( 0.136 0.289 0.000) 0.319 98.199 ( 0.076 0.184 0.000) 0.199 98.238 ( -0.346 0.076 0.000) 0.354 98.253 ( 0.063 -0.853 0.000) 0.855 98.262 ( -0.380 0.193 0.000) 0.426 98.277 ( 0.187 -0.916 0.000) 0.934 98.362 ( 0.202 0.577 0.000) 0.611 98.372 ( 0.159 0.632 0.000) 0.652 100.773 ( 0.070 0.284 0.000) 0.293 100.788 ( 0.002 -0.115 0.000) 0.115 100.797 ( -0.117 -0.239 0.000) 0.266 100.806 ( 0.037 0.048 0.000) 0.061 100.952 ( 0.143 0.249 0.000) 0.288 100.952 ( 0.050 0.105 0.000) 0.116 100.973 ( -0.048 -0.026 0.000) 0.055 100.976 ( -0.036 -0.171 0.000) 0.174 100.981 ( -0.172 -0.003 0.000) 0.172 100.987 ( -0.009 -0.344 0.000) 0.344 101.020 ( 0.030 0.102 0.000) 0.106 101.034 ( 0.056 0.142 0.000) 0.153 ======================= Grid point 18 (12/39) ======================= q-point: (-0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -8.675 5.440 0.000) 10.240 1.633 ( 3.234 -0.770 0.000) 3.324 1.806 ( -10.638 12.282 0.000) 16.248 1.831 ( 0.545 1.867 0.000) 1.945 2.046 ( 1.915 1.083 0.000) 2.200 2.090 ( 8.886 9.010 0.000) 12.655 2.199 ( 2.636 -9.283 0.000) 9.650 2.220 ( -7.563 0.392 0.000) 7.573 2.241 ( -8.530 -1.016 0.000) 8.590 2.306 ( 0.400 0.702 0.000) 0.808 2.477 ( 0.080 4.998 0.000) 4.999 2.501 ( 1.935 -0.979 0.000) 2.168 2.547 ( -2.888 -0.901 0.000) 3.025 2.577 ( 5.295 -10.167 0.000) 11.463 2.823 ( -3.903 -0.702 0.000) 3.966 2.984 ( -3.086 1.860 0.000) 3.603 2.990 ( -0.503 0.778 0.000) 0.927 3.052 ( 2.425 0.783 0.000) 2.548 3.118 ( -0.466 0.856 0.000) 0.974 3.191 ( -7.108 1.343 0.000) 7.234 3.234 ( -3.556 5.588 0.000) 6.624 3.276 ( 1.950 -0.101 0.000) 1.953 3.348 ( 1.522 2.592 0.000) 3.005 3.509 ( 11.097 2.905 0.000) 11.471 3.511 ( 3.115 -0.294 0.000) 3.129 3.544 ( -2.376 -3.011 0.000) 3.835 3.595 ( 3.057 4.093 0.000) 5.108 3.683 ( -3.724 0.993 0.000) 3.854 3.856 ( 4.756 -2.469 0.000) 5.359 3.909 ( -0.319 0.538 0.000) 0.626 3.920 ( -1.085 2.272 0.000) 2.517 3.993 ( -0.880 -1.495 0.000) 1.735 4.106 ( -0.550 -0.429 0.000) 0.698 4.150 ( -3.248 1.510 0.000) 3.582 4.283 ( -0.192 -3.075 0.000) 3.081 4.312 ( 0.122 11.466 0.000) 11.467 4.487 ( -6.286 1.595 0.000) 6.486 4.516 ( 0.150 10.950 0.000) 10.951 4.637 ( -1.333 1.784 0.000) 2.227 4.640 ( -1.718 5.870 0.000) 6.117 4.820 ( 0.919 -2.300 0.000) 2.477 4.891 ( -0.765 4.861 0.000) 4.920 4.976 ( -5.897 1.031 0.000) 5.987 5.074 ( 2.456 -1.042 0.000) 2.667 5.129 ( 2.220 3.319 0.000) 3.993 5.296 ( 3.095 -0.923 0.000) 3.229 5.436 ( 0.063 2.342 0.000) 2.343 5.516 ( -0.024 6.289 0.000) 6.289 5.569 ( -5.468 -2.861 0.000) 6.172 5.602 ( -3.324 3.226 0.000) 4.632 5.696 ( 4.841 -8.173 0.000) 9.499 5.746 ( -2.904 -0.040 0.000) 2.904 5.885 ( 4.275 -2.479 0.000) 4.942 5.946 ( 4.409 -4.436 0.000) 6.254 5.978 ( -4.431 -3.699 0.000) 5.772 6.209 ( 3.944 -6.432 0.000) 7.545 6.609 ( 0.347 2.391 0.000) 2.416 6.791 ( 0.031 -1.158 0.000) 1.159 6.960 ( 4.668 -0.685 0.000) 4.718 7.005 ( -1.318 -7.085 0.000) 7.206 7.259 ( -1.377 1.264 0.000) 1.869 7.327 ( -0.136 -3.255 0.000) 3.258 7.688 ( -0.064 -0.603 0.000) 0.607 7.742 ( 2.237 3.601 0.000) 4.239 7.905 ( -1.119 -5.802 0.000) 5.909 8.141 ( 0.688 -2.509 0.000) 2.601 8.347 ( -0.266 1.872 0.000) 1.890 8.519 ( 1.388 -0.070 0.000) 1.390 8.536 ( 5.035 -1.138 0.000) 5.162 8.549 ( -0.971 -2.430 0.000) 2.617 8.587 ( -1.924 4.310 0.000) 4.719 8.722 ( -0.095 1.604 0.000) 1.607 8.892 ( 1.268 -4.478 0.000) 4.654 9.033 ( 0.474 -14.111 0.000) 14.119 9.697 ( 0.832 9.361 0.000) 9.398 9.836 ( -7.423 1.983 0.000) 7.683 10.017 ( 2.878 -1.350 0.000) 3.179 10.348 ( -0.599 6.082 0.000) 6.111 10.484 ( 0.142 -1.664 0.000) 1.670 10.532 ( 0.003 0.794 0.000) 0.794 10.718 ( 0.725 -0.252 0.000) 0.767 10.762 ( -0.802 -0.810 0.000) 1.140 10.802 ( -0.074 -0.896 0.000) 0.899 11.015 ( 3.432 -3.756 0.000) 5.088 11.520 ( -0.355 1.091 0.000) 1.147 11.607 ( -0.342 0.353 0.000) 0.492 12.557 ( -0.368 3.306 0.000) 3.326 12.581 ( 0.551 8.521 0.000) 8.539 12.616 ( -1.540 -0.229 0.000) 1.557 12.781 ( -2.745 -2.896 0.000) 3.990 13.283 ( 1.344 -4.169 0.000) 4.380 13.834 ( -2.094 7.457 0.000) 7.745 13.934 ( 3.271 -2.728 0.000) 4.260 14.343 ( -0.895 1.827 0.000) 2.034 15.056 ( -7.113 4.864 0.000) 8.617 15.306 ( -6.037 7.624 0.000) 9.724 15.382 ( 6.908 1.448 0.000) 7.058 15.565 ( 1.582 -1.043 0.000) 1.895 15.622 ( 0.678 -8.956 0.000) 8.982 15.851 ( 1.396 -4.163 0.000) 4.391 16.025 ( -0.310 0.966 0.000) 1.015 16.027 ( 3.695 -1.804 0.000) 4.112 16.126 ( 0.778 -1.237 0.000) 1.461 16.267 ( 0.660 -7.860 0.000) 7.887 16.714 ( 0.005 1.317 0.000) 1.317 16.780 ( 0.069 -2.013 0.000) 2.014 17.025 ( -2.483 -0.826 0.000) 2.617 17.092 ( 3.856 -2.663 0.000) 4.687 43.620 ( 0.291 -0.707 0.000) 0.765 43.710 ( 0.124 -0.279 0.000) 0.305 44.172 ( 0.050 0.318 0.000) 0.322 44.185 ( -0.059 -0.419 0.000) 0.423 44.209 ( -0.071 2.792 0.000) 2.792 44.256 ( -1.220 -0.029 0.000) 1.221 44.320 ( 0.199 -0.519 0.000) 0.556 44.438 ( -0.453 1.015 0.000) 1.112 44.552 ( 0.308 3.172 0.000) 3.187 44.614 ( -1.752 -0.457 0.000) 1.811 44.903 ( 0.884 -1.842 0.000) 2.043 45.052 ( 1.524 -2.690 0.000) 3.091 97.959 ( 0.038 -0.056 0.000) 0.068 97.985 ( 0.033 -0.153 0.000) 0.156 98.006 ( -0.060 0.094 0.000) 0.112 98.009 ( 0.030 -0.002 0.000) 0.030 98.151 ( -0.135 0.287 0.000) 0.317 98.199 ( -0.075 0.182 0.000) 0.197 98.238 ( 0.307 0.081 0.000) 0.318 98.253 ( -0.026 -0.857 0.000) 0.858 98.260 ( 0.224 0.218 0.000) 0.313 98.278 ( -0.030 -0.945 0.000) 0.945 98.362 ( -0.202 0.577 0.000) 0.611 98.372 ( -0.161 0.637 0.000) 0.657 100.773 ( -0.079 0.290 0.000) 0.300 100.788 ( 0.015 -0.127 0.000) 0.128 100.797 ( 0.116 -0.241 0.000) 0.267 100.806 ( -0.044 0.057 0.000) 0.072 100.952 ( -0.049 0.105 0.000) 0.116 100.952 ( -0.140 0.245 0.000) 0.282 100.974 ( 0.082 -0.031 0.000) 0.087 100.975 ( -0.011 -0.149 0.000) 0.149 100.981 ( 0.152 0.001 0.000) 0.152 100.988 ( 0.025 -0.344 0.000) 0.345 101.020 ( -0.027 0.098 0.000) 0.102 101.034 ( -0.056 0.142 0.000) 0.152 ======================= Grid point 24 (13/39) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 1.730 1.136 0.000) 2.069 1.618 ( -0.208 0.169 0.000) 0.268 1.920 ( 6.825 2.688 0.000) 7.335 2.007 ( -5.092 5.129 0.000) 7.227 2.031 ( 9.566 5.304 0.000) 10.938 2.076 ( -1.837 -6.235 0.000) 6.500 2.117 ( -3.209 4.891 0.000) 5.850 2.250 ( 2.217 -0.213 0.000) 2.227 2.260 ( -4.072 -5.776 0.000) 7.068 2.323 ( 3.626 -4.812 0.000) 6.025 2.389 ( -6.781 -1.761 0.000) 7.006 2.415 ( -4.670 -2.854 0.000) 5.473 2.548 ( 1.782 2.007 0.000) 2.684 2.582 ( 2.344 1.978 0.000) 3.067 2.862 ( 1.906 1.671 0.000) 2.535 2.968 ( -0.820 1.032 0.000) 1.318 2.995 ( -0.897 -3.028 0.000) 3.158 3.146 ( 3.444 2.500 0.000) 4.255 3.156 ( 1.308 2.081 0.000) 2.458 3.244 ( 8.007 9.175 0.000) 12.178 3.327 ( 2.939 3.314 0.000) 4.429 3.338 ( 5.232 2.275 0.000) 5.705 3.378 ( 0.578 -0.001 0.000) 0.578 3.446 ( -2.276 6.492 0.000) 6.880 3.526 ( -7.852 1.384 0.000) 7.973 3.553 ( -0.202 -8.245 0.000) 8.247 3.561 ( -0.136 -7.897 0.000) 7.898 3.717 ( -5.947 -3.639 0.000) 6.972 3.759 ( 3.867 0.135 0.000) 3.869 3.880 ( -3.550 6.048 0.000) 7.013 3.922 ( 0.734 -5.628 0.000) 5.676 4.006 ( 2.775 2.807 0.000) 3.947 4.111 ( -2.036 -2.607 0.000) 3.308 4.202 ( 2.896 0.255 0.000) 2.907 4.231 ( -2.163 0.194 0.000) 2.172 4.506 ( 3.189 7.326 0.000) 7.990 4.543 ( 6.359 0.283 0.000) 6.366 4.666 ( 2.752 2.939 0.000) 4.027 4.688 ( 1.782 1.410 0.000) 2.272 4.706 ( 0.765 5.204 0.000) 5.260 4.796 ( -1.312 -4.707 0.000) 4.886 4.924 ( 2.466 3.398 0.000) 4.199 5.037 ( -1.701 -1.604 0.000) 2.338 5.085 ( 6.004 4.219 0.000) 7.338 5.166 ( -1.351 0.044 0.000) 1.352 5.238 ( -2.616 -2.036 0.000) 3.315 5.423 ( -2.231 -2.687 0.000) 3.492 5.533 ( -0.389 1.304 0.000) 1.361 5.577 ( -2.953 -4.640 0.000) 5.500 5.650 ( 5.492 6.409 0.000) 8.440 5.723 ( 6.836 1.840 0.000) 7.080 5.742 ( -0.022 3.631 0.000) 3.631 5.841 ( -3.472 1.427 0.000) 3.754 5.854 ( -3.294 -3.144 0.000) 4.554 5.948 ( 2.149 -5.005 0.000) 5.447 6.054 ( -8.423 -5.676 0.000) 10.157 6.649 ( 1.350 0.170 0.000) 1.361 6.784 ( 0.316 0.347 0.000) 0.469 6.870 ( -3.753 1.129 0.000) 3.919 6.915 ( -3.081 -6.648 0.000) 7.327 7.290 ( 1.525 0.625 0.000) 1.648 7.302 ( -0.430 0.291 0.000) 0.520 7.681 ( -0.255 -0.404 0.000) 0.478 7.787 ( 0.166 0.851 0.000) 0.867 7.829 ( -0.901 -1.619 0.000) 1.853 8.101 ( -1.007 -0.770 0.000) 1.268 8.362 ( -0.542 -1.029 0.000) 1.163 8.510 ( 1.241 2.987 0.000) 3.234 8.515 ( -0.555 0.624 0.000) 0.835 8.522 ( -0.096 -1.319 0.000) 1.322 8.686 ( 2.764 -1.232 0.000) 3.027 8.724 ( -2.317 -0.084 0.000) 2.319 8.819 ( -2.125 -2.129 0.000) 3.008 8.824 ( -4.498 -4.153 0.000) 6.122 9.829 ( 3.255 4.919 0.000) 5.898 9.896 ( 3.680 1.399 0.000) 3.937 9.972 ( -3.115 -2.455 0.000) 3.966 10.434 ( 2.276 0.345 0.000) 2.302 10.450 ( -1.212 0.753 0.000) 1.427 10.544 ( 0.324 0.320 0.000) 0.455 10.711 ( -0.407 -0.416 0.000) 0.582 10.765 ( 1.033 2.375 0.000) 2.590 10.796 ( 0.078 -1.435 0.000) 1.438 10.933 ( -3.321 -3.129 0.000) 4.563 11.538 ( 0.501 0.512 0.000) 0.716 11.613 ( 0.185 0.180 0.000) 0.258 12.605 ( 1.093 2.014 0.000) 2.292 12.621 ( 0.541 -0.398 0.000) 0.671 12.727 ( 4.409 -0.498 0.000) 4.437 12.734 ( -1.300 3.757 0.000) 3.976 13.220 ( -1.681 -1.633 0.000) 2.344 13.874 ( -2.146 -2.122 0.000) 3.018 13.948 ( 3.107 3.088 0.000) 4.381 14.375 ( 0.897 0.819 0.000) 1.214 15.177 ( 6.222 6.430 0.000) 8.947 15.405 ( -1.524 -4.854 0.000) 5.087 15.438 ( -5.754 -2.541 0.000) 6.290 15.464 ( 6.332 5.435 0.000) 8.345 15.542 ( -1.295 -0.384 0.000) 1.351 15.780 ( -2.385 -2.360 0.000) 3.356 15.983 ( -1.949 -1.810 0.000) 2.660 16.024 ( -0.648 -0.861 0.000) 1.077 16.119 ( 0.277 0.375 0.000) 0.466 16.140 ( -3.511 -3.664 0.000) 5.074 16.738 ( 0.718 -0.265 0.000) 0.765 16.746 ( -0.975 -0.032 0.000) 0.975 17.017 ( 0.302 0.760 0.000) 0.818 17.045 ( -1.840 -2.281 0.000) 2.931 43.610 ( -0.280 -0.280 0.000) 0.397 43.706 ( -0.108 -0.108 0.000) 0.153 44.177 ( 0.106 -0.091 0.000) 0.140 44.178 ( -0.173 0.017 0.000) 0.173 44.254 ( 0.911 0.595 0.000) 1.088 44.256 ( 0.384 0.701 0.000) 0.800 44.313 ( -0.185 -0.189 0.000) 0.264 44.456 ( 0.561 0.570 0.000) 0.800 44.605 ( 0.037 1.367 0.000) 1.368 44.606 ( 1.326 -0.000 0.000) 1.326 44.872 ( -0.921 -0.922 0.000) 1.303 45.005 ( -1.505 -1.505 0.000) 2.129 97.958 ( -0.027 -0.027 0.000) 0.038 97.983 ( -0.053 -0.056 0.000) 0.077 98.008 ( 0.053 0.027 0.000) 0.060 98.008 ( -0.019 0.010 0.000) 0.022 98.156 ( 0.156 0.156 0.000) 0.220 98.202 ( 0.092 0.093 0.000) 0.131 98.239 ( -0.082 -0.167 0.000) 0.186 98.240 ( -0.248 -0.163 0.000) 0.297 98.264 ( 0.097 -0.292 0.000) 0.307 98.265 ( -0.358 0.030 0.000) 0.360 98.370 ( 0.212 0.212 0.000) 0.300 98.381 ( 0.206 0.206 0.000) 0.291 100.779 ( 0.268 0.260 0.000) 0.373 100.787 ( -0.041 -0.024 0.000) 0.047 100.791 ( -0.271 -0.279 0.000) 0.389 100.807 ( 0.034 0.034 0.000) 0.048 100.954 ( 0.054 0.055 0.000) 0.077 100.957 ( 0.155 0.157 0.000) 0.221 100.973 ( -0.046 -0.014 0.000) 0.048 100.973 ( -0.038 -0.073 0.000) 0.082 100.981 ( -0.045 -0.072 0.000) 0.085 100.982 ( -0.146 -0.120 0.000) 0.189 101.021 ( 0.037 0.037 0.000) 0.053 101.036 ( 0.055 0.055 0.000) 0.078 ======================= Grid point 49 (14/39) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 0.000 0.000 23.429) 23.429 0.482 ( 0.000 0.000 23.429) 23.429 0.828 ( -0.000 0.000 39.895) 39.895 1.407 ( 0.000 -0.000 -20.180) 20.180 1.407 ( 0.000 0.000 -20.180) 20.180 2.102 ( -0.000 0.000 2.356) 2.356 2.110 ( 0.000 0.000 12.048) 12.048 2.110 ( 0.000 0.000 12.048) 12.048 2.172 ( 0.000 0.000 -17.292) 17.292 2.305 ( 0.000 -0.000 -12.110) 12.110 2.377 ( 0.000 0.000 -1.192) 1.192 2.377 ( 0.000 -0.000 -1.192) 1.192 2.503 ( -0.000 0.000 4.831) 4.831 2.665 ( 0.000 0.000 -1.952) 1.952 2.806 ( -0.000 -0.000 -1.157) 1.157 2.806 ( 0.000 -0.000 -1.157) 1.157 2.997 ( 0.000 0.000 -2.698) 2.698 2.997 ( -0.000 0.000 -2.698) 2.698 3.219 ( 0.000 0.000 3.815) 3.815 3.219 ( 0.000 0.000 3.815) 3.815 3.417 ( 0.000 0.000 2.332) 2.332 3.453 ( -0.000 0.000 1.308) 1.308 3.456 ( 0.000 0.000 -1.070) 1.070 3.456 ( -0.000 0.000 -1.070) 1.070 3.517 ( 0.000 0.000 5.563) 5.563 3.652 ( -0.000 0.000 -4.281) 4.281 3.796 ( 0.000 -0.000 -2.104) 2.104 3.796 ( 0.000 0.000 -2.104) 2.104 3.864 ( 0.000 -0.000 3.544) 3.544 3.864 ( 0.000 0.000 3.544) 3.544 3.873 ( 0.000 0.000 1.905) 1.905 3.894 ( 0.000 0.000 -1.541) 1.541 4.120 ( 0.000 0.000 -3.752) 3.752 4.120 ( 0.000 0.000 -3.752) 3.752 4.256 ( 0.000 0.000 1.267) 1.267 4.256 ( 0.000 0.000 1.267) 1.267 4.300 ( -0.000 0.000 2.765) 2.765 4.440 ( 0.000 0.000 0.131) 0.131 4.440 ( 0.000 -0.000 0.131) 0.131 4.445 ( 0.000 0.000 -3.464) 3.464 4.712 ( -0.000 0.000 5.201) 5.201 4.892 ( 0.000 0.000 -2.956) 2.956 4.923 ( 0.000 0.000 7.622) 7.622 5.039 ( 0.000 0.000 -0.825) 0.825 5.039 ( 0.000 0.000 -0.825) 0.825 5.168 ( 0.000 0.000 0.872) 0.872 5.168 ( 0.000 0.000 0.872) 0.872 5.403 ( 0.000 0.000 -0.843) 0.843 5.403 ( 0.000 -0.000 -0.843) 0.843 5.433 ( 0.000 0.000 -13.500) 13.500 5.785 ( 0.000 0.000 4.890) 4.890 5.890 ( 0.000 0.000 7.168) 7.168 6.116 ( 0.000 0.000 -4.802) 4.802 6.235 ( 0.000 0.000 -5.845) 5.845 6.279 ( 0.000 -0.000 3.588) 3.588 6.380 ( 0.000 0.000 -0.516) 0.516 6.618 ( 0.000 0.000 -0.064) 0.064 6.618 ( 0.000 0.000 -0.064) 0.064 6.817 ( 0.000 0.000 3.286) 3.286 6.967 ( 0.000 0.000 -1.869) 1.869 7.328 ( 0.000 0.000 -1.694) 1.694 7.328 ( 0.000 0.000 -1.694) 1.694 7.975 ( 0.000 0.000 -0.639) 0.639 7.992 ( 0.000 -0.000 -1.954) 1.954 8.013 ( 0.000 0.000 -0.148) 0.148 8.013 ( 0.000 0.000 -0.148) 0.148 8.134 ( 0.000 -0.000 4.042) 4.042 8.134 ( 0.000 -0.000 4.042) 4.042 8.594 ( 0.000 0.000 -1.029) 1.029 8.599 ( 0.000 0.000 -0.765) 0.765 8.925 ( 0.000 0.000 6.732) 6.732 9.055 ( 0.000 0.000 0.734) 0.734 9.315 ( 0.000 0.000 4.232) 4.232 9.315 ( 0.000 0.000 4.232) 4.232 9.618 ( 0.000 0.000 -6.910) 6.910 9.618 ( 0.000 0.000 -6.910) 6.910 10.072 ( 0.000 -0.000 -2.535) 2.535 10.093 ( 0.000 -0.000 -2.852) 2.852 10.221 ( 0.000 0.000 1.429) 1.429 10.235 ( 0.000 -0.000 0.524) 0.524 10.769 ( -0.000 0.000 2.671) 2.671 10.769 ( 0.000 0.000 2.671) 2.671 11.389 ( 0.000 -0.000 2.329) 2.329 11.513 ( -0.000 0.000 -2.577) 2.577 11.636 ( 0.000 0.000 -0.128) 0.128 11.637 ( 0.000 0.000 -0.153) 0.153 12.215 ( 0.000 -0.000 -8.103) 8.103 12.215 ( 0.000 0.000 -8.103) 8.103 12.575 ( 0.000 0.000 5.782) 5.782 12.575 ( 0.000 0.000 5.782) 5.782 13.517 ( 0.000 0.000 1.525) 1.525 13.517 ( 0.000 0.000 1.525) 1.525 14.269 ( 0.000 -0.000 -0.593) 0.593 14.269 ( 0.000 0.000 -0.593) 0.593 14.681 ( 0.000 0.000 1.649) 1.649 14.810 ( 0.000 -0.000 -3.926) 3.926 15.707 ( 0.000 0.000 9.669) 9.669 15.880 ( 0.000 0.000 -0.195) 0.195 15.880 ( -0.000 -0.000 -0.195) 0.195 15.909 ( 0.000 -0.000 8.716) 8.716 16.033 ( 0.000 -0.000 0.168) 0.168 16.033 ( 0.000 0.000 0.168) 0.168 16.201 ( 0.000 0.000 -10.790) 10.790 16.366 ( 0.000 -0.000 -8.285) 8.285 16.672 ( 0.000 0.000 -1.090) 1.090 16.795 ( 0.000 0.000 -2.981) 2.981 17.160 ( 0.000 0.000 12.223) 12.223 17.518 ( 0.000 -0.000 -4.556) 4.556 43.691 ( 0.000 -0.000 0.883) 0.883 43.732 ( 0.000 -0.000 -0.688) 0.688 44.126 ( 0.000 -0.000 -0.212) 0.212 44.126 ( 0.000 -0.000 -0.212) 0.212 44.170 ( 0.000 0.000 0.208) 0.208 44.170 ( 0.000 -0.000 0.208) 0.208 44.403 ( -0.000 0.000 -0.004) 0.004 44.403 ( -0.000 0.000 -0.004) 0.004 44.419 ( 0.000 0.000 -0.163) 0.163 44.426 ( 0.000 0.000 -0.518) 0.518 45.071 ( 0.000 0.000 3.100) 3.100 45.216 ( 0.000 0.000 -2.602) 2.602 97.973 ( 0.000 -0.000 0.441) 0.441 97.991 ( 0.000 -0.000 -0.000) 0.000 97.991 ( -0.000 0.000 -0.000) 0.000 98.001 ( 0.000 0.000 -0.692) 0.692 98.145 ( 0.000 0.000 0.877) 0.877 98.182 ( 0.000 -0.000 -0.627) 0.627 98.271 ( 0.000 0.000 -0.017) 0.017 98.271 ( 0.000 0.000 -0.017) 0.017 98.282 ( 0.000 0.000 0.016) 0.016 98.282 ( 0.000 -0.000 0.016) 0.016 98.306 ( 0.000 0.000 0.197) 0.197 98.317 ( 0.000 -0.000 -0.198) 0.198 100.772 ( 0.000 0.000 0.472) 0.472 100.797 ( -0.000 0.000 -0.474) 0.474 100.800 ( 0.000 0.000 0.000) 0.000 100.800 ( 0.000 0.000 0.000) 0.000 100.937 ( 0.000 0.000 0.155) 0.155 100.945 ( 0.000 0.000 -0.127) 0.127 100.979 ( 0.000 0.000 -0.003) 0.003 100.979 ( 0.000 0.000 -0.003) 0.003 100.998 ( 0.000 0.000 0.003) 0.003 100.998 ( -0.000 0.000 0.003) 0.003 101.017 ( 0.000 0.000 0.161) 0.161 101.025 ( 0.000 0.000 -0.185) 0.185 ======================= Grid point 50 (15/39) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 16.376 1.826 16.185) 23.097 0.883 ( 15.105 -1.554 24.765) 29.050 1.055 ( 31.789 0.342 17.201) 36.146 1.475 ( 6.056 1.297 -18.917) 19.905 1.580 ( 13.637 -0.935 -15.404) 20.595 2.019 ( -3.138 1.255 5.009) 6.043 2.100 ( -2.181 -0.847 -4.696) 5.247 2.127 ( -0.112 -1.753 7.209) 7.420 2.198 ( 3.017 0.859 5.647) 6.460 2.250 ( -5.006 -1.088 -3.305) 6.096 2.319 ( -0.680 2.144 -3.953) 4.548 2.414 ( 0.360 -3.705 -0.169) 3.726 2.538 ( 1.029 6.151 -2.459) 6.704 2.602 ( 3.028 -3.357 -0.224) 4.526 2.795 ( -2.304 -0.879 0.928) 2.635 2.872 ( 4.829 1.446 1.214) 5.185 2.967 ( -2.915 0.082 -3.023) 4.200 3.026 ( 2.528 -0.509 -2.339) 3.482 3.197 ( -2.497 -0.053 4.511) 5.157 3.205 ( -1.879 0.753 1.411) 2.468 3.354 ( -2.183 -0.737 -1.315) 2.653 3.408 ( -2.470 -2.160 0.691) 3.353 3.437 ( -1.803 1.015 -1.758) 2.715 3.481 ( -0.660 -1.231 -1.125) 1.793 3.536 ( -1.281 -1.063 3.024) 3.452 3.557 ( -2.090 1.745 6.198) 6.769 3.704 ( -3.437 -0.739 -4.263) 5.526 3.751 ( -4.572 -6.611 -1.420) 8.162 3.806 ( -1.721 0.837 -1.517) 2.442 3.859 ( -0.075 1.560 3.447) 3.785 3.877 ( 3.180 2.788 -4.057) 5.860 3.985 ( 3.426 -0.903 4.440) 5.680 4.109 ( -1.474 3.520 -3.741) 5.345 4.177 ( -2.970 3.116 3.218) 5.375 4.220 ( -0.252 -2.562 -2.987) 3.943 4.255 ( 1.810 0.510 0.680) 2.000 4.370 ( -1.363 2.937 -1.598) 3.611 4.419 ( -2.753 1.433 -0.195) 3.110 4.531 ( 1.388 3.232 -0.771) 3.601 4.630 ( 13.836 -6.654 -1.726) 15.450 4.708 ( 1.402 0.405 2.601) 2.982 4.801 ( -5.059 -1.981 3.681) 6.563 4.960 ( 4.641 3.520 3.820) 6.966 5.048 ( 0.617 0.953 -1.371) 1.780 5.110 ( 0.717 -2.572 1.310) 2.974 5.165 ( 1.274 -0.227 2.474) 2.792 5.209 ( -0.418 -1.159 1.814) 2.193 5.277 ( 0.871 -1.971 -0.410) 2.193 5.380 ( 1.656 3.948 1.508) 4.539 5.556 ( 4.033 -0.391 -12.777) 13.404 5.778 ( -3.509 -5.818 7.426) 10.066 5.840 ( -0.241 4.611 2.972) 5.491 6.100 ( -1.055 -0.231 -2.758) 2.962 6.201 ( -3.386 0.204 -7.389) 8.130 6.265 ( -0.571 0.809 1.402) 1.716 6.351 ( -2.216 0.003 -0.296) 2.235 6.612 ( -0.808 0.090 0.030) 0.814 6.787 ( -0.408 -0.024 0.896) 0.985 6.900 ( 7.443 -3.022 -8.361) 11.595 7.004 ( 7.727 2.467 -3.533) 8.847 7.265 ( -5.433 1.464 -1.214) 5.756 7.340 ( 1.023 -1.226 -2.774) 3.201 7.908 ( -4.416 0.965 -2.829) 5.332 7.955 ( -1.326 2.274 -0.759) 2.739 7.976 ( -2.683 -3.531 1.439) 4.662 8.079 ( 3.986 1.963 -0.287) 4.453 8.145 ( 1.271 -1.236 4.242) 4.597 8.291 ( 9.448 -1.086 -0.389) 9.518 8.604 ( 0.461 -0.312 -1.154) 1.281 8.647 ( 3.788 0.410 -0.177) 3.814 8.877 ( -4.977 -0.884 4.566) 6.812 8.919 ( -12.804 -0.464 6.719) 14.467 9.206 ( -7.313 7.194 5.631) 11.702 9.321 ( -0.706 -9.153 5.213) 10.557 9.544 ( 6.067 2.567 5.646) 8.676 9.580 ( -2.849 3.044 -6.953) 8.107 10.065 ( -1.164 -1.373 -2.575) 3.141 10.185 ( -1.443 -0.441 0.448) 1.574 10.233 ( 4.291 0.777 -4.868) 6.536 10.329 ( 6.892 -0.297 -9.005) 11.344 10.769 ( -0.006 -0.753 2.393) 2.509 10.776 ( 0.630 0.594 3.341) 3.451 11.263 ( -17.816 -0.469 13.515) 22.367 11.373 ( -2.845 0.739 2.080) 3.601 11.521 ( 0.369 0.018 -2.621) 2.647 11.544 ( -6.063 0.345 -1.977) 6.386 12.231 ( 1.254 0.589 -7.973) 8.092 12.267 ( 2.475 -1.255 -8.573) 9.010 12.612 ( 3.323 -0.090 6.643) 7.428 12.703 ( 6.000 -0.905 1.109) 6.168 13.521 ( -0.063 -0.383 1.588) 1.634 13.563 ( 2.299 0.113 2.884) 3.690 14.188 ( -6.485 -0.194 -0.761) 6.533 14.292 ( 1.412 0.158 -2.898) 3.228 14.716 ( 0.692 2.046 1.998) 2.942 14.846 ( 8.124 -1.279 2.757) 8.674 15.623 ( -3.966 0.262 7.688) 8.655 15.786 ( -5.639 0.911 6.533) 8.678 15.882 ( -0.179 -3.313 1.365) 3.588 15.927 ( 2.188 2.490 3.169) 4.585 16.012 ( -1.799 -1.321 -0.712) 2.342 16.166 ( 2.295 1.714 -5.123) 5.869 16.171 ( -2.099 -1.069 -10.748) 11.003 16.362 ( 0.375 0.066 -8.478) 8.487 16.686 ( 1.375 0.248 -0.772) 1.596 16.790 ( -0.280 -0.114 -2.641) 2.658 17.134 ( -2.230 0.023 10.929) 11.154 17.407 ( -6.804 0.007 -0.036) 6.804 43.682 ( -0.772 0.005 0.901) 1.186 43.727 ( -0.455 -0.006 -0.756) 0.883 44.130 ( 0.248 0.084 0.016) 0.262 44.144 ( 1.347 0.041 -0.640) 1.492 44.172 ( 0.176 0.078 0.160) 0.250 44.184 ( 1.354 -0.145 0.360) 1.409 44.373 ( -1.375 0.502 0.015) 1.464 44.421 ( 0.684 -2.745 -0.751) 2.926 44.426 ( 0.436 1.989 -0.385) 2.072 44.476 ( 3.457 0.198 -0.599) 3.514 45.051 ( -1.636 -0.002 3.300) 3.683 45.196 ( -1.907 0.000 -2.539) 3.176 97.971 ( -0.221 -0.004 0.386) 0.445 97.992 ( 0.002 0.191 -0.092) 0.212 97.994 ( 0.188 -0.184 -0.150) 0.303 98.002 ( 0.091 -0.010 -0.493) 0.502 98.146 ( 0.123 0.000 0.857) 0.866 98.183 ( 0.087 0.001 -0.622) 0.628 98.262 ( -0.713 -0.010 -0.010) 0.713 98.274 ( 0.046 0.113 0.032) 0.126 98.274 ( -0.422 0.107 0.045) 0.437 98.303 ( 1.095 -0.506 -0.897) 1.503 98.314 ( 0.584 0.139 0.158) 0.621 98.324 ( 0.539 0.155 -0.179) 0.589 100.772 ( -0.029 0.004 0.445) 0.446 100.794 ( -0.152 -0.034 -0.317) 0.353 100.799 ( -0.039 0.068 -0.004) 0.079 100.802 ( 0.164 -0.038 -0.066) 0.181 100.939 ( 0.145 -0.001 0.137) 0.199 100.945 ( 0.070 -0.000 -0.114) 0.133 100.979 ( -0.036 -0.054 -0.006) 0.066 100.980 ( 0.027 0.068 -0.070) 0.101 100.994 ( -0.314 -0.008 -0.015) 0.315 100.998 ( -0.020 0.009 -0.003) 0.022 101.017 ( 0.019 0.008 0.159) 0.161 101.024 ( 0.025 -0.011 -0.019) 0.033 ======================= Grid point 51 (16/39) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 18.541 1.801 9.881) 21.087 1.172 ( 14.977 -0.514 18.607) 23.891 1.605 ( 5.217 0.589 -13.426) 14.416 1.774 ( 11.237 0.323 -1.323) 11.319 1.788 ( 24.919 -0.894 -0.408) 24.938 1.977 ( -1.842 2.392 -1.782) 3.506 2.050 ( -2.863 -1.755 4.793) 5.853 2.145 ( -1.129 1.421 -0.822) 1.992 2.163 ( -2.796 -0.260 0.465) 2.847 2.251 ( 8.693 -2.818 -0.778) 9.172 2.347 ( 0.767 3.625 -0.909) 3.815 2.464 ( 5.837 -2.968 2.967) 7.189 2.617 ( 5.354 4.874 -8.458) 11.133 2.699 ( 5.292 -1.602 -0.095) 5.530 2.731 ( -1.697 -2.535 0.723) 3.135 2.932 ( 0.282 -2.703 -3.752) 4.633 2.972 ( 4.615 3.118 3.291) 6.469 3.080 ( -0.230 0.374 -0.110) 0.452 3.124 ( -2.778 -1.748 1.904) 3.795 3.144 ( -3.998 0.792 -2.891) 4.996 3.272 ( -7.450 -2.669 1.972) 8.156 3.325 ( -2.825 1.415 0.299) 3.173 3.396 ( -2.516 -1.122 -0.571) 2.813 3.447 ( -3.605 -2.940 -3.311) 5.710 3.501 ( -0.190 1.499 2.777) 3.161 3.553 ( -0.361 -1.793 2.804) 3.348 3.641 ( -4.154 -1.401 -2.024) 4.828 3.682 ( -2.050 -4.118 -0.524) 4.630 3.789 ( 0.229 2.572 -0.050) 2.583 3.831 ( -2.037 2.509 3.475) 4.745 3.914 ( -2.317 1.913 -0.986) 3.162 3.975 ( -2.447 -1.370 1.356) 3.115 4.061 ( -3.085 -2.780 -2.023) 4.620 4.164 ( -0.904 4.515 0.358) 4.618 4.221 ( 2.547 3.203 1.005) 4.214 4.323 ( -4.448 0.323 -0.031) 4.460 4.342 ( 5.047 -1.354 -0.078) 5.226 4.391 ( 4.113 1.671 -1.082) 4.569 4.504 ( -1.213 3.544 3.347) 5.024 4.679 ( -2.411 -0.362 1.971) 3.135 4.782 ( 2.761 2.417 2.929) 4.694 4.830 ( 3.712 -4.072 3.965) 6.788 4.984 ( -2.400 2.768 -1.811) 4.087 5.029 ( -2.374 -1.897 -2.894) 4.196 5.118 ( 2.550 3.049 1.364) 4.202 5.198 ( 0.029 -2.042 0.938) 2.248 5.261 ( 1.933 -3.460 2.265) 4.565 5.334 ( 7.546 0.402 1.902) 7.792 5.469 ( 3.233 -0.136 -3.684) 4.903 5.633 ( 4.125 1.037 -4.703) 6.341 5.713 ( -0.682 -1.982 6.194) 6.539 5.862 ( 1.422 0.659 0.727) 1.728 6.039 ( -5.050 -1.018 1.583) 5.389 6.108 ( -5.005 -0.731 -7.436) 8.993 6.258 ( -0.600 0.668 -3.358) 3.476 6.313 ( -1.569 1.846 -1.392) 2.794 6.568 ( -3.793 3.010 0.009) 4.842 6.713 ( -3.837 -3.887 0.561) 5.490 7.020 ( 6.067 -4.038 -1.711) 7.486 7.144 ( -4.792 3.664 -0.243) 6.038 7.169 ( 4.740 2.308 -3.722) 6.453 7.364 ( 1.187 -0.799 -4.949) 5.152 7.810 ( -4.226 0.400 2.430) 4.892 7.878 ( -4.260 2.614 2.488) 5.583 8.005 ( 3.353 -2.806 -3.910) 5.866 8.140 ( 1.792 1.202 -2.367) 3.203 8.194 ( 3.083 -1.378 5.809) 6.719 8.434 ( 3.947 -2.035 0.444) 4.463 8.600 ( -3.983 -1.452 -0.673) 4.293 8.625 ( -8.263 -1.087 3.345) 8.981 8.707 ( 1.687 0.287 1.322) 2.162 8.786 ( -4.976 2.177 3.127) 6.268 9.146 ( -0.323 9.738 4.082) 10.564 9.309 ( -0.359 -11.452 4.734) 12.397 9.522 ( -1.999 4.469 -7.163) 8.676 9.731 ( 9.597 1.146 5.867) 11.306 10.027 ( -2.134 -0.266 -2.835) 3.559 10.146 ( -1.900 -0.494 2.685) 3.326 10.320 ( 3.751 -0.126 -5.508) 6.665 10.419 ( 2.161 -0.142 -10.197) 10.424 10.770 ( 0.194 -1.221 1.810) 2.192 10.794 ( 1.085 0.612 4.595) 4.761 11.020 ( -7.425 0.067 8.589) 11.354 11.232 ( -9.343 0.689 -1.544) 9.495 11.478 ( -0.370 -0.293 -0.952) 1.063 11.545 ( 1.187 0.107 -2.631) 2.889 12.250 ( 0.307 0.087 -6.934) 6.941 12.312 ( 1.990 -0.689 -8.574) 8.828 12.690 ( 3.797 0.038 7.159) 8.104 12.801 ( 4.136 -1.785 1.541) 4.761 13.504 ( -1.386 -1.063 1.489) 2.295 13.596 ( 1.120 0.438 4.420) 4.580 14.048 ( -6.468 0.280 -0.143) 6.476 14.311 ( 0.460 0.087 -2.170) 2.219 14.784 ( 5.925 1.727 0.419) 6.186 15.055 ( 10.867 -0.549 4.490) 11.771 15.544 ( -5.029 0.804 3.516) 6.188 15.671 ( -4.874 0.422 5.293) 7.207 15.867 ( -1.447 -4.419 3.166) 5.625 15.963 ( 1.030 3.653 -0.053) 3.796 15.972 ( -1.746 -1.316 -2.020) 2.977 16.111 ( -2.713 -0.267 -7.858) 8.317 16.143 ( -3.250 0.442 -1.162) 3.479 16.383 ( 1.109 0.128 -8.666) 8.738 16.721 ( 1.499 1.018 0.742) 1.958 16.792 ( 0.850 -0.898 -1.834) 2.212 17.088 ( -1.781 0.116 7.431) 7.642 17.280 ( -5.759 0.062 -0.618) 5.792 43.665 ( -0.830 0.014 0.867) 1.201 43.717 ( -0.436 -0.016 -0.802) 0.913 44.133 ( 0.107 0.113 0.260) 0.303 44.159 ( 0.115 0.220 -0.799) 0.837 44.180 ( 0.536 -0.087 -0.234) 0.591 44.229 ( 2.620 -0.151 1.022) 2.816 44.352 ( -0.750 0.285 0.156) 0.817 44.426 ( 0.112 -0.789 -0.672) 1.042 44.438 ( 0.408 0.354 -0.052) 0.542 44.551 ( 3.733 0.060 -0.775) 3.813 45.012 ( -2.006 -0.007 2.890) 3.518 45.146 ( -2.732 0.003 -2.276) 3.555 97.966 ( -0.219 -0.012 0.264) 0.343 97.991 ( -0.021 0.225 -0.079) 0.239 97.998 ( 0.151 -0.224 -0.257) 0.373 98.004 ( 0.083 -0.000 -0.211) 0.226 98.149 ( 0.168 -0.002 0.791) 0.809 98.186 ( 0.132 0.002 -0.590) 0.605 98.247 ( -0.665 0.012 0.029) 0.666 98.261 ( -0.545 0.125 -0.016) 0.560 98.279 ( 0.248 0.027 0.095) 0.267 98.319 ( 0.511 -0.763 -0.514) 1.052 98.325 ( 0.426 0.302 0.115) 0.535 98.334 ( 0.384 0.295 -0.073) 0.489 100.771 ( -0.041 0.015 0.381) 0.383 100.792 ( -0.013 -0.093 -0.243) 0.260 100.798 ( -0.096 0.108 -0.043) 0.151 100.805 ( 0.130 -0.029 -0.048) 0.142 100.943 ( 0.215 -0.004 0.089) 0.233 100.947 ( 0.103 -0.001 -0.079) 0.130 100.977 ( -0.130 -0.036 -0.003) 0.135 100.980 ( 0.014 0.069 -0.030) 0.077 100.987 ( -0.344 -0.007 -0.015) 0.344 100.997 ( -0.021 0.009 -0.016) 0.028 101.017 ( 0.019 0.004 0.122) 0.123 101.026 ( 0.122 -0.014 -0.049) 0.132 ======================= Grid point 52 (17/39) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 14.617 1.439 8.969) 17.210 1.478 ( 14.548 0.111 6.360) 15.878 1.623 ( -3.830 -0.116 -0.109) 3.833 1.744 ( -6.354 -0.876 -1.637) 6.619 1.817 ( -7.862 -1.332 3.547) 8.727 2.026 ( -2.093 -0.729 2.193) 3.118 2.087 ( -0.925 0.556 -6.053) 6.148 2.183 ( 5.986 1.152 -3.826) 7.197 2.328 ( -2.054 0.599 0.489) 2.195 2.394 ( 17.591 3.392 -0.832) 17.935 2.448 ( 5.577 1.260 -5.571) 7.982 2.531 ( 0.802 -0.057 -3.029) 3.133 2.762 ( 3.901 0.407 0.321) 3.936 2.785 ( 4.693 -1.884 1.110) 5.178 2.800 ( 9.368 -0.900 -0.505) 9.425 2.936 ( -3.917 -7.388 -1.457) 8.488 2.982 ( -1.773 2.185 -0.207) 2.821 3.034 ( -6.294 0.895 -3.518) 7.265 3.064 ( 3.711 0.233 2.125) 4.283 3.115 ( -1.514 2.361 0.862) 2.934 3.196 ( 1.709 -2.578 2.882) 4.228 3.266 ( -3.729 2.761 2.120) 5.101 3.308 ( -5.737 -1.904 2.732) 6.634 3.374 ( -1.186 -2.094 -2.598) 3.541 3.464 ( -9.485 0.747 -3.299) 10.070 3.512 ( 0.129 -0.807 0.273) 0.861 3.551 ( 0.658 -1.473 -0.734) 1.772 3.657 ( -3.158 0.693 1.838) 3.719 3.771 ( 0.392 -1.461 2.805) 3.187 3.830 ( 1.103 1.959 0.487) 2.300 3.848 ( -2.286 2.944 2.129) 4.292 3.948 ( 0.018 -1.187 -0.824) 1.445 4.019 ( -0.343 -5.341 0.694) 5.397 4.097 ( -4.504 5.250 0.480) 6.934 4.259 ( -0.054 -0.364 0.983) 1.049 4.297 ( 1.916 1.870 0.979) 2.850 4.444 ( 3.226 -0.460 0.460) 3.291 4.482 ( 2.843 -1.670 -4.103) 5.263 4.503 ( 0.707 3.677 4.899) 6.166 4.647 ( -0.557 -0.254 4.647) 4.687 4.824 ( 0.854 3.632 3.731) 5.277 4.856 ( 0.194 -4.444 1.145) 4.594 4.928 ( -2.391 4.189 -5.292) 7.161 5.009 ( 0.399 -1.909 -2.097) 2.864 5.103 ( -1.293 -0.076 -6.079) 6.216 5.248 ( 1.853 -1.588 6.494) 6.938 5.309 ( 2.796 0.195 1.432) 3.148 5.369 ( -2.643 -2.271 1.386) 3.750 5.564 ( 4.995 1.841 -0.841) 5.390 5.718 ( 2.985 0.330 2.752) 4.073 5.726 ( 0.507 0.778 -1.245) 1.554 5.899 ( 0.862 -1.136 -1.190) 1.858 5.940 ( -1.931 -2.410 1.952) 3.654 6.020 ( -2.816 0.365 -1.930) 3.434 6.224 ( -3.646 0.738 -2.139) 4.291 6.265 ( -1.392 1.369 -7.197) 7.457 6.508 ( -0.932 1.773 -0.709) 2.125 6.667 ( -1.042 -2.635 0.118) 2.836 7.059 ( -1.944 -0.189 1.016) 2.201 7.143 ( 4.418 -2.790 -0.938) 5.309 7.213 ( -0.455 4.142 -1.681) 4.493 7.382 ( 0.521 -0.189 -5.783) 5.810 7.764 ( -0.068 -1.029 5.535) 5.630 7.799 ( -3.115 2.241 3.889) 5.464 8.084 ( 3.666 -1.747 -2.704) 4.878 8.161 ( 0.216 0.506 -3.161) 3.209 8.242 ( 1.286 -0.404 6.249) 6.392 8.368 ( -6.183 -0.783 -0.595) 6.261 8.541 ( 1.404 -1.416 0.721) 2.120 8.598 ( -0.602 0.326 -0.862) 1.101 8.697 ( -2.293 1.836 -1.086) 3.132 8.732 ( 0.084 -0.189 3.518) 3.524 9.154 ( 0.569 4.739 2.648) 5.458 9.305 ( -0.054 -5.509 4.902) 7.374 9.498 ( -0.474 1.627 -6.883) 7.088 9.901 ( 6.491 -0.717 5.096) 8.284 9.986 ( -2.146 1.587 -1.235) 2.941 10.104 ( -1.862 -0.649 3.146) 3.713 10.376 ( 1.546 -0.054 -7.281) 7.443 10.438 ( 0.167 -0.107 -7.527) 7.530 10.780 ( 0.665 -1.002 1.176) 1.682 10.809 ( 0.021 0.529 5.813) 5.837 10.934 ( -1.078 0.339 4.625) 4.761 11.067 ( -5.498 0.074 -1.873) 5.809 11.481 ( 0.206 -0.141 -0.773) 0.812 11.565 ( 0.599 0.067 -2.607) 2.675 12.249 ( -0.178 -0.081 -6.141) 6.144 12.343 ( 0.886 -0.149 -8.396) 8.444 12.750 ( 1.643 0.060 7.006) 7.196 12.868 ( 1.976 -0.863 1.232) 2.484 13.478 ( -0.863 -0.522 0.941) 1.379 13.611 ( 0.362 0.170 4.182) 4.201 13.948 ( -2.787 0.292 0.427) 2.834 14.316 ( 0.083 0.000 -0.922) 0.926 14.915 ( 5.098 0.778 -2.593) 5.772 15.255 ( 7.727 -0.381 7.453) 10.742 15.412 ( -6.478 0.489 3.867) 7.560 15.600 ( -2.283 0.331 1.178) 2.591 15.829 ( -1.565 -2.143 2.873) 3.911 15.950 ( -0.428 -1.030 -0.920) 1.445 15.966 ( -0.431 2.149 -5.416) 5.843 16.074 ( -0.769 -0.032 -4.583) 4.647 16.088 ( -1.487 0.058 2.839) 3.205 16.398 ( 0.320 0.049 -8.203) 8.210 16.732 ( -0.051 0.591 2.577) 2.644 16.824 ( 1.445 -0.657 -0.474) 1.656 17.078 ( 0.835 0.109 2.626) 2.758 17.175 ( -4.031 0.082 -0.117) 4.033 43.652 ( -0.330 0.008 0.815) 0.879 43.711 ( -0.163 -0.008 -0.794) 0.811 44.134 ( 0.008 0.048 0.284) 0.288 44.158 ( -0.054 0.083 -0.581) 0.589 44.188 ( 0.230 -0.029 -0.383) 0.447 44.272 ( 1.271 -0.062 1.100) 1.683 44.342 ( -0.236 0.086 0.237) 0.346 44.427 ( 0.046 -0.225 -0.751) 0.785 44.443 ( 0.111 0.095 0.256) 0.294 44.614 ( 1.887 0.006 -0.852) 2.070 44.978 ( -1.049 -0.006 2.364) 2.586 45.099 ( -1.421 0.004 -1.853) 2.335 97.963 ( -0.087 -0.007 0.172) 0.192 97.991 ( -0.009 0.093 0.004) 0.093 98.000 ( 0.061 -0.097 -0.349) 0.367 98.005 ( 0.027 0.005 -0.057) 0.063 98.152 ( 0.082 -0.002 0.709) 0.714 98.188 ( 0.071 0.001 -0.539) 0.544 98.237 ( -0.269 0.008 0.092) 0.284 98.253 ( -0.214 0.042 -0.082) 0.233 98.283 ( 0.095 0.010 0.094) 0.134 98.325 ( 0.150 -0.340 -0.242) 0.444 98.331 ( 0.146 0.159 0.121) 0.247 98.339 ( 0.144 0.121 -0.094) 0.210 100.771 ( -0.021 0.009 0.320) 0.321 100.793 ( 0.090 -0.122 -0.116) 0.191 100.796 ( -0.122 0.124 -0.141) 0.224 100.807 ( 0.048 -0.010 -0.023) 0.054 100.947 ( 0.115 -0.004 0.033) 0.120 100.949 ( 0.058 -0.000 -0.039) 0.070 100.974 ( -0.074 -0.006 0.000) 0.074 100.980 ( -0.021 0.029 -0.027) 0.045 100.982 ( -0.135 -0.006 0.018) 0.136 100.997 ( -0.008 0.003 -0.024) 0.025 101.018 ( 0.010 -0.000 0.102) 0.102 101.028 ( 0.051 -0.005 -0.074) 0.090 ======================= Grid point 57 (18/39) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 13.940 10.265 15.087) 22.963 1.024 ( 12.155 14.589 18.851) 26.757 1.263 ( 22.294 22.048 10.888) 33.192 1.567 ( 7.391 5.209 -15.621) 18.049 1.658 ( 6.545 7.712 -11.924) 15.637 1.996 ( 0.603 -2.059 1.005) 2.369 2.097 ( -2.184 0.876 -5.668) 6.137 2.120 ( -3.750 0.019 4.053) 5.522 2.222 ( 5.135 1.765 9.502) 10.944 2.246 ( -1.372 -0.173 0.265) 1.408 2.274 ( 0.102 -1.657 0.936) 1.906 2.439 ( -1.112 4.431 -8.185) 9.373 2.541 ( 5.691 -1.957 -0.489) 6.038 2.666 ( 2.329 4.705 -2.023) 5.627 2.790 ( -2.484 0.306 -0.643) 2.584 2.882 ( 2.085 -1.684 3.911) 4.741 2.947 ( -0.648 -0.993 -5.311) 5.441 3.020 ( -0.854 0.686 0.722) 1.312 3.170 ( -1.610 -1.437 3.760) 4.335 3.210 ( -0.450 -1.640 -0.197) 1.712 3.317 ( -4.788 -2.468 -0.558) 5.415 3.371 ( -4.219 -2.714 0.749) 5.072 3.458 ( 0.761 0.763 -0.328) 1.126 3.480 ( -1.301 0.850 -5.522) 5.737 3.521 ( -1.425 -1.195 4.252) 4.640 3.554 ( 0.211 0.183 4.469) 4.477 3.664 ( -2.736 0.161 -1.837) 3.299 3.688 ( -4.654 -0.444 -1.473) 4.902 3.824 ( 2.410 -0.972 -3.417) 4.293 3.887 ( 2.749 2.924 -1.859) 4.423 3.942 ( 2.913 -0.310 1.693) 3.383 3.993 ( 0.029 4.235 2.216) 4.780 4.121 ( -1.464 -3.502 4.236) 5.688 4.162 ( 6.054 -2.708 -2.091) 6.954 4.181 ( -2.451 -0.660 -1.773) 3.097 4.297 ( -2.585 0.264 -0.047) 2.599 4.359 ( -0.620 -1.597 -0.627) 1.824 4.414 ( 6.619 -3.508 1.763) 7.696 4.498 ( 0.161 -0.464 -2.671) 2.715 4.651 ( -2.120 0.616 2.703) 3.490 4.782 ( -0.989 4.489 -1.568) 4.857 4.859 ( 2.990 4.075 0.150) 5.056 4.900 ( 3.610 -1.240 9.317) 10.068 5.090 ( -1.497 -1.569 2.772) 3.519 5.138 ( 4.129 3.995 1.108) 5.851 5.161 ( 3.908 2.327 -0.798) 4.618 5.267 ( -1.659 7.145 1.016) 7.405 5.317 ( 1.287 2.301 -2.796) 3.842 5.372 ( 4.478 -2.578 -0.597) 5.201 5.582 ( 2.423 2.463 -9.424) 10.038 5.699 ( -6.693 -1.328 7.828) 10.384 5.861 ( 1.767 -1.238 2.877) 3.596 6.061 ( -3.570 -3.128 -3.523) 5.911 6.150 ( -4.762 -4.282 -3.632) 7.362 6.258 ( 0.623 -1.207 -3.186) 3.463 6.321 ( -2.405 -2.546 0.662) 3.564 6.662 ( 2.131 0.139 1.403) 2.555 6.775 ( -0.297 0.102 -1.588) 1.619 6.924 ( -4.726 5.923 -2.501) 7.979 7.017 ( 7.559 -0.950 -5.432) 9.357 7.261 ( 0.741 -4.339 -2.092) 4.873 7.310 ( -3.321 1.194 -2.941) 4.594 7.833 ( -3.640 -4.522 -0.349) 5.815 7.906 ( -1.596 -2.445 -1.013) 3.091 8.042 ( 0.437 0.028 3.166) 3.196 8.066 ( 1.114 2.602 1.172) 3.064 8.254 ( 4.769 1.645 1.389) 5.232 8.323 ( 2.948 8.404 -2.766) 9.326 8.634 ( -0.800 2.262 -0.389) 2.431 8.643 ( 2.671 -0.499 0.028) 2.717 8.787 ( -9.936 -6.649 5.092) 12.994 8.882 ( -3.490 -3.975 5.718) 7.790 9.121 ( -1.835 -8.952 4.054) 9.997 9.379 ( -5.048 -5.636 -4.530) 8.819 9.429 ( -2.018 5.563 4.696) 7.555 9.597 ( 8.117 1.502 7.212) 10.962 10.107 ( 0.359 1.218 -0.732) 1.465 10.227 ( 0.913 0.844 -1.224) 1.745 10.290 ( 3.595 3.361 -5.218) 7.173 10.323 ( 1.747 2.522 -12.330) 12.706 10.761 ( -0.709 0.164 3.020) 3.107 10.786 ( 0.793 0.421 2.899) 3.035 11.121 ( -9.273 -9.055 10.063) 16.409 11.346 ( -3.108 -4.165 2.061) 5.590 11.515 ( -2.541 -2.479 -0.892) 3.660 11.529 ( 0.767 0.578 -2.741) 2.904 12.260 ( 2.140 0.991 -7.757) 8.107 12.300 ( 1.415 3.515 -9.977) 10.673 12.623 ( 2.118 2.520 6.196) 7.016 12.742 ( 1.784 3.640 3.619) 5.434 13.492 ( -1.800 -1.131 3.374) 3.988 13.611 ( 2.583 2.586 2.133) 4.232 14.190 ( -3.458 -2.871 -2.044) 4.938 14.260 ( 0.245 -0.423 -3.081) 3.119 14.788 ( 6.273 -1.257 4.915) 8.068 14.855 ( 3.202 9.117 1.552) 9.787 15.598 ( -1.424 -2.151 5.739) 6.292 15.769 ( -0.872 -4.552 7.553) 8.862 15.826 ( -5.990 0.478 0.838) 6.067 15.953 ( 2.126 -0.117 1.379) 2.537 16.022 ( -1.420 0.847 2.453) 2.958 16.127 ( -1.513 -2.306 -11.113) 11.451 16.184 ( -0.509 -1.010 -5.906) 6.014 16.338 ( -1.246 -1.449 -7.676) 7.910 16.696 ( 1.297 0.595 -0.712) 1.595 16.787 ( -0.437 0.033 -2.151) 2.195 17.111 ( -2.004 -2.082 9.779) 10.197 17.350 ( -4.523 -4.554 -0.199) 6.422 43.674 ( -0.710 -0.724 0.955) 1.392 43.722 ( -0.457 -0.442 -0.858) 1.068 44.146 ( 0.969 0.725 -0.338) 1.256 44.151 ( 0.921 0.784 -0.402) 1.274 44.180 ( 0.899 0.157 0.493) 1.037 44.185 ( 0.010 1.011 0.301) 1.055 44.369 ( -0.329 -1.371 0.276) 1.437 44.395 ( -0.623 0.560 -0.479) 0.965 44.475 ( 1.235 2.228 -0.375) 2.574 44.487 ( 2.337 1.321 -1.014) 2.870 45.034 ( -1.467 -1.461 3.183) 3.797 45.176 ( -1.864 -1.866 -2.473) 3.615 97.969 ( -0.157 -0.143 0.377) 0.432 97.989 ( -0.056 -0.234 -0.264) 0.357 97.997 ( 0.107 0.264 -0.071) 0.293 98.004 ( 0.094 0.114 -0.360) 0.389 98.148 ( 0.134 0.135 0.843) 0.864 98.184 ( 0.094 0.093 -0.621) 0.634 98.263 ( -0.350 -0.294 0.048) 0.459 98.265 ( -0.212 -0.305 -0.035) 0.373 98.279 ( 0.413 -0.714 -0.016) 0.825 98.288 ( -0.879 0.426 -0.173) 0.992 98.326 ( 0.656 0.737 -0.230) 1.014 98.337 ( 0.876 0.656 -0.265) 1.126 100.772 ( 0.013 -0.000 0.424) 0.424 100.792 ( -0.152 -0.082 -0.250) 0.304 100.800 ( 0.138 -0.076 -0.096) 0.184 100.802 ( -0.027 0.130 -0.021) 0.134 100.940 ( 0.142 0.145 0.120) 0.236 100.946 ( 0.072 0.073 -0.102) 0.144 100.978 ( -0.080 -0.014 0.008) 0.082 100.980 ( 0.022 -0.078 -0.055) 0.098 100.993 ( -0.209 -0.164 0.007) 0.265 100.995 ( -0.110 -0.157 -0.053) 0.199 101.018 ( 0.069 0.056 0.175) 0.197 101.025 ( 0.079 0.101 -0.051) 0.137 ======================= Grid point 58 (19/39) ======================= q-point: ( 0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 13.770 5.883 13.328) 20.047 1.316 ( 14.909 15.052 8.506) 22.830 1.670 ( 2.277 4.446 -8.352) 9.732 1.762 ( 3.208 -0.508 -4.230) 5.333 1.809 ( 18.595 2.099 0.977) 18.738 1.993 ( 4.095 0.529 0.199) 4.134 2.080 ( 5.382 2.187 3.449) 6.756 2.148 ( -4.969 2.157 4.363) 6.956 2.234 ( 3.049 6.808 -2.907) 8.006 2.276 ( 6.947 4.179 -0.572) 8.127 2.378 ( 6.412 -4.408 2.390) 8.140 2.431 ( 0.325 3.560 -3.844) 5.249 2.642 ( 1.223 -3.451 -6.064) 7.083 2.684 ( 1.642 0.826 -2.549) 3.143 2.754 ( 0.797 3.071 0.733) 3.257 2.854 ( -3.188 -3.702 -3.292) 5.891 2.993 ( 3.006 -2.498 -1.608) 4.226 3.039 ( 1.911 -1.277 2.613) 3.480 3.102 ( -5.448 -1.227 2.646) 6.179 3.154 ( -3.830 -0.864 -2.279) 4.539 3.190 ( -3.395 -1.869 3.583) 5.278 3.329 ( -2.393 -2.594 -1.024) 3.675 3.415 ( -4.400 0.099 -3.234) 5.461 3.439 ( -2.262 4.536 -0.991) 5.164 3.503 ( -1.225 -0.541 3.585) 3.827 3.552 ( 0.630 1.168 1.962) 2.368 3.642 ( -1.792 1.838 -1.141) 2.809 3.662 ( 1.339 1.505 -0.347) 2.044 3.833 ( -0.326 1.957 -0.810) 2.143 3.908 ( -3.943 4.325 -0.687) 5.893 3.944 ( -0.402 -1.156 0.539) 1.337 3.973 ( -1.211 1.827 -0.436) 2.235 4.062 ( -3.845 3.145 5.518) 7.424 4.222 ( 2.789 0.406 0.615) 2.885 4.235 ( 3.697 -3.856 0.030) 5.343 4.284 ( 1.658 1.223 1.393) 2.486 4.378 ( 4.195 0.855 -2.337) 4.878 4.425 ( -4.222 3.109 -3.145) 6.114 4.554 ( 2.617 0.259 2.909) 3.922 4.690 ( 3.303 -4.602 4.625) 7.313 4.711 ( -1.353 2.414 2.486) 3.720 4.915 ( 0.926 3.263 -2.460) 4.190 4.946 ( 0.133 0.641 4.037) 4.090 5.115 ( 1.777 -0.620 2.433) 3.076 5.150 ( 0.946 7.062 -1.554) 7.293 5.216 ( -5.246 4.609 -4.510) 8.313 5.281 ( 2.353 1.002 2.173) 3.356 5.321 ( 2.522 -0.694 1.037) 2.813 5.477 ( 7.354 2.153 -2.677) 8.116 5.641 ( 2.177 -2.160 5.246) 6.076 5.661 ( 3.288 -0.360 -0.737) 3.389 5.869 ( -0.782 -0.285 0.612) 1.033 5.959 ( -6.521 -5.796 0.890) 8.770 6.037 ( -4.251 -4.869 -8.721) 10.855 6.250 ( -3.131 -1.695 0.175) 3.564 6.281 ( -0.737 -4.376 -3.272) 5.513 6.650 ( -1.782 4.273 -0.068) 4.630 6.754 ( -5.295 5.308 1.088) 7.576 6.883 ( 3.415 -7.012 -2.984) 8.350 7.142 ( 1.495 -2.370 -0.582) 2.862 7.224 ( -0.139 1.592 -3.576) 3.917 7.312 ( 1.878 -3.807 -2.657) 5.008 7.776 ( -2.271 -2.991 1.324) 3.982 7.871 ( -2.344 -0.946 4.309) 4.996 8.008 ( -0.336 1.447 -0.711) 1.647 8.140 ( 3.580 -2.998 3.589) 5.890 8.277 ( -0.408 8.301 -0.493) 8.326 8.407 ( 2.844 0.094 -2.432) 3.743 8.538 ( -8.865 -3.668 -0.227) 9.597 8.638 ( -1.639 1.182 -0.161) 2.027 8.686 ( 1.481 -1.601 1.236) 2.507 8.803 ( -4.173 -0.426 4.602) 6.226 9.083 ( -2.483 -8.745 2.221) 9.358 9.330 ( -1.090 -14.796 -5.569) 15.847 9.419 ( 1.718 12.066 6.464) 13.795 9.779 ( 8.334 2.087 6.590) 10.827 10.102 ( -0.811 2.398 -0.484) 2.578 10.197 ( -2.577 6.006 -3.545) 7.435 10.337 ( 2.767 1.370 -3.335) 4.544 10.396 ( 2.530 -1.478 -10.821) 11.211 10.750 ( -0.219 -0.371 2.600) 2.635 10.802 ( 0.760 0.113 4.129) 4.200 10.972 ( -5.061 -3.742 5.866) 8.604 11.217 ( -8.421 -2.834 0.330) 8.891 11.485 ( -0.199 0.819 -0.556) 1.010 11.550 ( 1.081 0.362 -2.692) 2.923 12.289 ( 0.373 2.695 -8.376) 8.807 12.330 ( 1.821 2.729 -8.788) 9.381 12.697 ( 4.229 1.138 5.759) 7.234 12.787 ( 2.983 0.816 4.859) 5.760 13.454 ( -1.801 -2.688 4.193) 5.297 13.650 ( 1.174 3.424 0.618) 3.672 14.076 ( -5.915 1.438 1.676) 6.314 14.288 ( 1.314 -1.769 -4.853) 5.330 14.874 ( 4.899 5.911 4.360) 8.829 15.048 ( 11.516 0.964 1.290) 11.628 15.557 ( -3.977 0.177 3.063) 5.023 15.682 ( -5.939 0.611 4.796) 7.658 15.756 ( -1.071 -6.189 3.709) 7.294 15.942 ( -1.731 -1.274 0.132) 2.154 16.019 ( -0.466 1.116 -2.868) 3.113 16.090 ( -1.173 -0.982 -5.726) 5.927 16.135 ( -3.648 -1.319 -0.896) 3.982 16.335 ( 0.503 -4.198 -8.238) 9.260 16.735 ( 2.311 -0.133 -0.351) 2.341 16.773 ( -0.881 -0.444 -0.871) 1.316 17.070 ( -1.440 -1.627 6.775) 7.115 17.249 ( -5.074 -2.908 -1.007) 5.935 43.658 ( -0.777 -0.621 1.001) 1.411 43.712 ( -0.430 -0.431 -0.984) 1.157 44.153 ( 0.125 1.308 -0.141) 1.321 44.171 ( 0.497 0.619 -0.692) 1.053 44.179 ( -0.107 0.651 0.244) 0.703 44.223 ( 2.668 -0.332 0.815) 2.810 44.354 ( -0.789 -0.330 0.630) 1.063 44.400 ( 0.624 -0.282 -0.719) 0.993 44.484 ( 0.118 2.961 -0.178) 2.969 44.553 ( 3.465 0.079 -0.889) 3.579 44.997 ( -1.982 -1.363 2.806) 3.696 45.127 ( -2.691 -1.788 -2.217) 3.918 97.965 ( -0.187 -0.053 0.275) 0.337 97.989 ( -0.032 -0.349 -0.204) 0.405 98.000 ( 0.133 0.247 -0.199) 0.344 98.006 ( 0.058 0.098 -0.125) 0.169 98.151 ( 0.182 0.162 0.785) 0.822 98.187 ( 0.141 0.107 -0.595) 0.621 98.248 ( -0.688 0.107 0.019) 0.696 98.267 ( -0.486 0.015 -0.037) 0.488 98.269 ( -0.077 -0.470 0.071) 0.482 98.292 ( 0.488 -1.254 -0.088) 1.348 98.339 ( 0.514 0.802 -0.199) 0.973 98.350 ( 0.436 0.835 -0.046) 0.943 100.772 ( 0.009 0.088 0.382) 0.392 100.790 ( -0.058 -0.109 -0.221) 0.253 100.801 ( -0.104 0.126 -0.006) 0.164 100.804 ( 0.135 -0.120 -0.109) 0.211 100.944 ( 0.210 0.141 0.073) 0.263 100.948 ( 0.105 0.077 -0.069) 0.148 100.976 ( -0.104 -0.038 0.013) 0.112 100.980 ( -0.020 -0.099 -0.024) 0.104 100.987 ( -0.330 -0.016 -0.033) 0.332 100.994 ( -0.023 -0.280 -0.031) 0.282 101.019 ( 0.036 0.119 0.181) 0.220 101.027 ( 0.126 0.116 -0.109) 0.203 ======================= Grid point 59 (20/39) ======================= q-point: ( 0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 12.409 2.844 8.574) 15.349 1.587 ( 5.993 5.925 1.496) 8.560 1.646 ( 0.646 4.566 2.613) 5.300 1.777 ( 0.109 2.966 0.567) 3.022 1.850 ( -4.951 5.787 -1.728) 7.810 2.010 ( -2.460 -0.796 4.835) 5.483 2.141 ( -0.728 4.101 -3.486) 5.431 2.240 ( 2.804 3.818 -3.053) 5.635 2.331 ( 1.580 0.441 -3.523) 3.886 2.398 ( 2.611 -2.467 0.315) 3.606 2.431 ( 3.903 -3.490 0.753) 5.290 2.515 ( -0.023 -1.887 -3.868) 4.304 2.672 ( 5.064 -7.098 0.183) 8.721 2.742 ( 4.308 -3.481 -2.354) 6.018 2.796 ( 1.706 0.731 -0.323) 1.884 2.845 ( 4.899 1.223 -0.929) 5.134 2.994 ( -2.407 0.535 -1.977) 3.161 3.021 ( -0.900 -0.841 -0.512) 1.334 3.079 ( 2.058 -4.368 -1.625) 5.095 3.147 ( 2.526 3.197 1.852) 4.476 3.187 ( 2.701 1.762 3.413) 4.696 3.248 ( -4.843 -2.524 -0.022) 5.461 3.328 ( -3.900 2.476 0.618) 4.661 3.378 ( -2.867 2.040 -0.793) 3.607 3.484 ( -0.216 -0.232 1.300) 1.338 3.493 ( -6.552 0.865 -2.411) 7.035 3.616 ( 2.268 6.429 0.838) 6.869 3.715 ( 2.575 3.460 0.716) 4.372 3.758 ( -6.185 1.282 0.982) 6.393 3.888 ( 2.198 3.156 -0.558) 3.887 3.918 ( -3.208 0.974 1.611) 3.720 3.939 ( 0.527 0.402 1.450) 1.594 4.039 ( 0.403 7.329 2.609) 7.790 4.207 ( -2.608 3.665 0.047) 4.499 4.319 ( -3.148 -0.365 -1.904) 3.697 4.334 ( 2.865 6.738 1.159) 7.412 4.366 ( 3.150 -4.395 1.425) 5.592 4.442 ( 0.575 1.025 1.740) 2.100 4.578 ( 0.401 1.190 0.885) 1.536 4.676 ( -0.851 1.758 5.258) 5.609 4.769 ( 1.885 -1.667 -1.245) 2.808 4.916 ( -2.337 -2.749 -3.864) 5.286 4.930 ( -0.465 5.044 3.209) 5.996 5.055 ( -2.755 3.448 -2.423) 5.035 5.131 ( -0.780 2.766 -3.956) 4.890 5.253 ( 3.960 1.438 5.006) 6.543 5.319 ( 1.837 -0.940 -0.452) 2.113 5.350 ( 1.748 2.559 0.666) 3.169 5.612 ( 1.444 2.792 1.418) 3.448 5.689 ( 1.466 -2.941 1.770) 3.733 5.736 ( 2.123 0.023 0.411) 2.162 5.839 ( 1.283 -6.241 0.130) 6.373 5.863 ( -1.106 -3.167 -0.937) 3.483 5.986 ( -1.486 -2.881 -3.959) 5.117 6.179 ( -4.303 -2.862 -2.415) 5.704 6.235 ( -2.454 -5.070 -3.424) 6.592 6.581 ( -4.134 4.949 -0.491) 6.467 6.712 ( 1.983 4.754 -0.014) 5.151 6.952 ( 2.198 -8.214 -1.579) 8.649 7.112 ( -0.894 -0.922 -1.181) 1.745 7.255 ( -0.317 0.018 -0.444) 0.545 7.340 ( 0.780 -3.753 -4.306) 5.765 7.738 ( -1.130 -1.054 3.229) 3.580 7.819 ( -2.402 0.534 8.204) 8.565 8.046 ( 3.373 -2.156 -2.911) 4.950 8.190 ( 1.184 -3.777 6.035) 7.217 8.265 ( -0.906 6.321 -3.476) 7.270 8.360 ( -3.064 0.756 -2.357) 3.939 8.497 ( 2.047 -2.285 -2.132) 3.736 8.609 ( -1.345 0.205 -0.392) 1.416 8.710 ( -0.403 -1.473 3.459) 3.782 8.718 ( -2.730 0.289 1.578) 3.166 9.031 ( -2.167 -8.176 1.107) 8.531 9.308 ( -1.213 -15.386 -5.580) 16.412 9.481 ( 3.531 12.874 6.291) 14.758 9.917 ( 4.714 1.398 5.573) 7.432 10.063 ( -3.068 1.980 1.823) 4.081 10.161 ( -0.679 6.720 -2.469) 7.192 10.385 ( 1.518 0.561 -6.383) 6.585 10.423 ( 0.495 -0.967 -8.185) 8.257 10.757 ( 0.935 -0.703 2.094) 2.399 10.812 ( -0.050 -0.399 5.606) 5.620 10.914 ( -0.878 -1.973 3.248) 3.900 11.064 ( -5.158 -0.939 -0.846) 5.311 11.490 ( 0.361 0.963 -0.653) 1.218 11.567 ( 0.429 0.120 -2.632) 2.669 12.289 ( -0.045 3.601 -7.523) 8.341 12.362 ( 0.974 1.918 -8.365) 8.637 12.761 ( 1.605 1.261 7.015) 7.305 12.856 ( 3.053 -0.072 2.826) 4.161 13.428 ( -0.465 -3.329 4.416) 5.550 13.662 ( 0.161 3.439 -1.315) 3.686 13.980 ( -2.990 2.492 2.400) 4.572 14.307 ( 0.561 -0.635 -2.374) 2.521 14.982 ( 3.921 5.510 -0.072) 6.763 15.257 ( 7.938 0.654 4.678) 9.237 15.426 ( -6.497 0.791 3.032) 7.213 15.594 ( -3.630 -0.704 2.295) 4.352 15.756 ( 1.651 -4.967 2.595) 5.842 15.927 ( 0.365 -1.557 0.604) 1.710 15.968 ( -3.122 -1.161 -6.573) 7.369 16.072 ( -1.839 -1.410 1.171) 2.596 16.090 ( 0.106 1.260 -1.465) 1.935 16.342 ( 0.137 -5.050 -7.585) 9.113 16.740 ( -1.211 0.167 2.285) 2.592 16.794 ( 2.163 -2.150 -1.169) 3.267 17.066 ( 0.959 -1.166 2.933) 3.299 17.152 ( -3.913 -2.121 -0.642) 4.496 43.646 ( -0.321 -0.559 0.973) 1.167 43.706 ( -0.150 -0.420 -0.997) 1.092 44.154 ( -0.025 1.214 -0.120) 1.220 44.169 ( -0.257 1.404 -0.033) 1.428 44.184 ( 0.248 -0.321 -0.399) 0.569 44.268 ( 1.377 -0.267 0.896) 1.665 44.343 ( -0.335 -0.126 0.759) 0.839 44.412 ( 0.402 -0.187 -0.833) 0.944 44.484 ( -0.038 2.807 -0.096) 2.809 44.612 ( 1.817 -0.124 -0.787) 1.984 44.963 ( -1.039 -1.345 2.331) 2.885 45.081 ( -1.416 -1.747 -1.824) 2.896 97.962 ( -0.068 -0.013 0.198) 0.210 97.987 ( -0.079 -0.333 -0.168) 0.382 98.002 ( 0.135 0.203 -0.204) 0.318 98.006 ( 0.007 0.063 -0.033) 0.071 98.154 ( 0.093 0.188 0.711) 0.741 98.189 ( 0.074 0.121 -0.551) 0.569 98.238 ( -0.292 0.070 0.089) 0.313 98.256 ( -0.328 0.198 -0.099) 0.396 98.272 ( 0.076 -0.888 0.041) 0.893 98.300 ( 0.250 -1.298 0.008) 1.322 98.347 ( 0.243 0.841 -0.154) 0.888 98.355 ( 0.057 0.937 0.023) 0.939 100.772 ( -0.018 0.154 0.318) 0.354 100.790 ( 0.081 -0.146 -0.128) 0.210 100.798 ( -0.134 0.086 -0.089) 0.182 100.806 ( 0.065 -0.110 -0.059) 0.140 100.948 ( 0.118 0.137 0.016) 0.182 100.950 ( 0.061 0.082 -0.028) 0.106 100.974 ( -0.060 -0.028 0.004) 0.067 100.979 ( -0.028 -0.119 -0.002) 0.122 100.981 ( -0.162 -0.004 -0.008) 0.162 100.994 ( -0.010 -0.280 -0.041) 0.283 101.019 ( 0.014 0.143 0.159) 0.215 101.029 ( 0.057 0.114 -0.120) 0.175 ======================= Grid point 60 (21/39) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -12.015 1.692 9.101) 15.168 1.604 ( -13.504 11.405 6.074) 18.691 1.647 ( 4.060 1.517 0.892) 4.425 1.815 ( 2.625 4.059 0.311) 4.844 1.876 ( 10.589 5.098 1.026) 11.797 2.019 ( -4.280 -0.983 -1.335) 4.589 2.108 ( 1.146 1.818 -5.166) 5.595 2.222 ( -3.624 4.807 -5.403) 8.089 2.269 ( -5.274 -4.307 -1.273) 6.927 2.324 ( -8.012 -2.640 -3.908) 9.297 2.430 ( -2.551 1.243 -1.226) 3.091 2.515 ( 0.614 -2.827 5.768) 6.453 2.696 ( -4.080 -4.273 1.776) 6.169 2.751 ( -3.369 -7.314 -1.045) 8.120 2.802 ( -2.263 -0.912 -4.260) 4.909 2.913 ( 1.513 1.340 0.186) 2.030 3.007 ( 2.690 -1.000 -2.621) 3.887 3.055 ( -1.614 0.253 0.946) 1.888 3.110 ( -0.596 4.454 3.086) 5.452 3.126 ( -0.110 0.595 -1.494) 1.612 3.193 ( 1.173 -0.838 0.405) 1.497 3.249 ( -0.053 0.716 2.563) 2.661 3.344 ( 4.841 1.643 1.513) 5.331 3.403 ( 3.331 1.642 -3.657) 5.212 3.446 ( 8.262 0.322 -4.602) 9.463 3.553 ( 3.840 -0.471 0.652) 3.923 3.632 ( -1.991 6.614 1.776) 7.132 3.685 ( 1.138 -0.361 3.917) 4.095 3.762 ( 1.594 3.125 0.579) 3.556 3.849 ( -2.548 3.686 -0.127) 4.483 3.908 ( 0.620 5.977 0.209) 6.013 3.997 ( 3.579 -3.597 1.232) 5.222 4.051 ( 1.366 7.678 1.019) 7.864 4.160 ( -1.922 5.314 -1.934) 5.972 4.215 ( -5.474 -4.030 1.115) 6.889 4.350 ( -0.599 3.763 -0.480) 3.840 4.399 ( -1.488 0.245 3.068) 3.419 4.435 ( -0.847 -0.026 5.246) 5.314 4.545 ( -4.346 2.393 -2.016) 5.355 4.667 ( -0.255 -0.074 3.896) 3.905 4.796 ( 2.059 1.916 1.328) 3.110 4.834 ( -2.402 -2.544 -3.420) 4.892 4.935 ( -0.329 1.498 -1.344) 2.039 5.064 ( 2.423 4.042 0.369) 4.727 5.138 ( 0.027 1.609 -1.638) 2.296 5.262 ( -0.869 0.862 3.244) 3.467 5.370 ( 0.185 3.473 1.658) 3.853 5.411 ( 3.967 2.673 0.012) 4.783 5.533 ( -5.938 -1.314 -2.787) 6.690 5.683 ( -2.891 -2.581 -0.641) 3.929 5.702 ( -2.223 -1.596 1.530) 3.135 5.892 ( 2.854 -2.732 -2.104) 4.476 5.941 ( 1.884 -2.380 2.972) 4.248 5.970 ( 0.259 -3.130 -1.207) 3.365 6.120 ( 3.115 -5.796 0.836) 6.633 6.232 ( 1.009 -3.421 -7.789) 8.567 6.531 ( -0.343 3.766 -0.764) 3.858 6.779 ( 3.537 5.396 0.914) 6.516 6.978 ( 0.909 -6.073 -0.650) 6.175 7.116 ( 0.085 -3.991 -1.667) 4.326 7.198 ( -4.063 1.410 -1.549) 4.571 7.344 ( -0.347 -3.865 -5.749) 6.937 7.736 ( 0.712 -2.291 1.828) 3.016 7.790 ( 0.224 1.366 8.531) 8.643 8.077 ( -1.231 -1.972 -0.988) 2.525 8.197 ( -0.658 -3.122 4.429) 5.459 8.256 ( 0.136 4.233 -2.978) 5.177 8.402 ( 7.516 3.764 0.034) 8.406 8.538 ( 1.307 -1.717 -0.227) 2.170 8.593 ( -0.125 -0.601 0.318) 0.692 8.651 ( -1.160 -2.325 -0.918) 2.756 8.723 ( -0.061 -0.318 3.355) 3.370 9.001 ( -0.748 -6.474 0.662) 6.551 9.279 ( -1.463 -15.087 -5.946) 16.283 9.541 ( 2.153 12.600 6.020) 14.129 9.896 ( -7.182 -0.363 7.242) 10.206 10.048 ( 2.356 3.094 -0.129) 3.891 10.167 ( 1.077 5.552 -0.248) 5.661 10.389 ( -1.122 0.907 -9.166) 9.279 10.427 ( -0.303 -0.981 -7.122) 7.195 10.780 ( 0.701 -0.663 1.347) 1.657 10.803 ( -0.551 -0.215 5.099) 5.133 10.904 ( 0.386 -2.153 4.686) 5.171 11.062 ( 4.744 -0.919 -1.205) 4.980 11.494 ( -0.033 0.995 -0.549) 1.137 11.565 ( -0.598 0.074 -2.752) 2.817 12.291 ( 0.166 3.679 -7.137) 8.031 12.365 ( -0.658 1.754 -8.807) 9.004 12.759 ( -1.699 1.208 7.708) 7.985 12.880 ( -1.040 0.184 2.097) 2.348 13.438 ( 1.259 -3.460 4.858) 6.096 13.663 ( -0.078 3.812 -1.380) 4.055 13.970 ( 2.276 2.179 1.319) 3.416 14.309 ( -0.456 -0.456 -0.910) 1.115 14.955 ( -6.013 4.584 -1.590) 7.726 15.277 ( -8.082 2.043 6.979) 10.872 15.408 ( 6.487 0.206 3.825) 7.533 15.577 ( 2.378 -1.971 -0.330) 3.106 15.817 ( 3.394 -4.124 4.170) 6.776 15.922 ( -1.119 -1.301 -5.045) 5.329 15.958 ( 2.608 -0.191 0.503) 2.663 16.063 ( 0.815 -1.467 -0.038) 1.678 16.088 ( 0.083 0.508 -3.514) 3.552 16.340 ( -0.330 -5.120 -7.102) 8.762 16.720 ( -0.682 -0.453 1.810) 1.987 16.817 ( -0.100 -1.370 -0.010) 1.374 17.063 ( -1.216 -1.169 1.687) 2.386 17.149 ( 3.770 -2.214 0.211) 4.377 43.646 ( 0.304 -0.559 0.949) 1.143 43.706 ( 0.167 -0.420 -0.968) 1.069 44.153 ( -0.042 1.239 -0.106) 1.244 44.166 ( -0.101 1.238 -0.100) 1.246 44.185 ( -0.125 -0.262 -0.377) 0.476 44.271 ( -1.165 -0.182 0.979) 1.532 44.340 ( 0.122 -0.120 0.713) 0.733 44.415 ( -0.125 -0.211 -0.745) 0.784 44.484 ( 0.078 2.821 -0.261) 2.834 44.612 ( -1.838 -0.121 -0.734) 1.983 44.963 ( 1.052 -1.340 2.356) 2.908 45.081 ( 1.408 -1.751 -1.840) 2.904 97.963 ( 0.088 -0.007 0.223) 0.239 97.986 ( -0.048 -0.309 -0.243) 0.395 98.004 ( -0.021 0.161 -0.069) 0.176 98.006 ( 0.001 0.075 -0.120) 0.141 98.154 ( -0.088 0.190 0.716) 0.746 98.189 ( -0.077 0.121 -0.558) 0.576 98.238 ( 0.269 0.062 0.097) 0.292 98.255 ( 0.184 0.147 -0.102) 0.256 98.272 ( -0.077 -0.866 0.013) 0.870 98.302 ( -0.028 -1.302 0.054) 1.304 98.348 ( -0.105 0.801 -0.049) 0.810 98.353 ( -0.248 1.017 -0.104) 1.052 100.772 ( -0.008 0.144 0.299) 0.332 100.792 ( 0.035 -0.160 0.017) 0.165 100.796 ( 0.002 0.094 -0.261) 0.277 100.806 ( -0.024 -0.092 -0.014) 0.096 100.948 ( -0.110 0.142 0.021) 0.181 100.950 ( -0.060 0.080 -0.032) 0.105 100.974 ( 0.085 -0.023 -0.002) 0.088 100.978 ( -0.035 -0.118 -0.001) 0.123 100.981 ( 0.163 -0.017 0.015) 0.165 100.993 ( 0.004 -0.278 -0.054) 0.283 101.019 ( -0.015 0.143 0.147) 0.206 101.030 ( -0.046 0.113 -0.108) 0.163 ======================= Grid point 61 (22/39) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( -13.181 7.044 12.227) 19.310 1.313 ( -14.209 14.091 13.155) 23.948 1.669 ( -2.735 5.510 -9.976) 11.720 1.783 ( -5.972 -0.053 -1.805) 6.239 1.808 ( -23.372 2.374 -0.128) 23.493 1.957 ( -1.422 1.421 -3.970) 4.450 2.094 ( 4.261 0.564 1.371) 4.512 2.129 ( 2.885 1.373 -0.601) 3.251 2.200 ( -3.524 3.910 -0.191) 5.268 2.283 ( -2.113 0.488 1.512) 2.644 2.353 ( -5.114 3.463 4.036) 7.378 2.511 ( -1.339 1.021 0.338) 1.717 2.543 ( -3.979 -0.799 -6.517) 7.677 2.731 ( -2.825 0.021 -1.777) 3.337 2.770 ( 1.556 -0.801 -3.051) 3.517 2.900 ( -3.652 -1.920 2.505) 4.827 2.947 ( -1.829 -0.863 -0.725) 2.148 3.061 ( -2.007 0.353 0.277) 2.056 3.126 ( 3.400 -2.342 -1.159) 4.288 3.167 ( 1.278 1.781 0.994) 2.407 3.210 ( 5.579 -5.690 0.032) 7.969 3.324 ( 3.054 -0.903 1.559) 3.546 3.427 ( 3.700 1.309 0.038) 3.925 3.466 ( 2.629 -0.192 -5.389) 5.999 3.535 ( -2.678 2.070 2.896) 4.454 3.576 ( -0.280 -0.105 2.748) 2.764 3.660 ( 3.644 -0.221 -1.003) 3.786 3.705 ( -1.918 -0.871 -1.023) 2.342 3.779 ( 1.711 1.607 1.621) 2.852 3.870 ( 4.268 6.969 2.122) 8.443 3.943 ( 0.803 4.051 -2.250) 4.703 4.058 ( 0.482 -5.095 1.265) 5.272 4.075 ( 0.527 4.967 -0.704) 5.045 4.103 ( 0.284 2.413 -2.003) 3.148 4.166 ( -0.038 -0.728 0.757) 1.051 4.329 ( -3.596 -1.134 2.246) 4.388 4.357 ( -0.163 0.814 -0.359) 0.905 4.398 ( -2.188 4.599 3.835) 6.376 4.468 ( 0.252 0.500 -0.891) 1.052 4.658 ( -0.503 -2.514 2.621) 3.667 4.793 ( 0.595 2.814 0.082) 2.877 4.873 ( -0.654 0.491 -2.468) 2.600 4.944 ( 2.707 -0.532 4.742) 5.486 5.086 ( -2.418 0.129 1.139) 2.676 5.117 ( 0.896 5.846 4.314) 7.321 5.270 ( 1.175 4.879 -2.112) 5.445 5.328 ( -6.929 -0.026 -0.328) 6.936 5.359 ( -2.639 2.519 -0.295) 3.661 5.471 ( -5.507 1.417 0.430) 5.702 5.618 ( -1.240 -0.284 -8.249) 8.346 5.679 ( 0.257 -4.562 4.361) 6.317 5.868 ( -2.654 0.825 4.336) 5.151 5.985 ( 3.980 -5.528 -2.411) 7.226 6.048 ( 5.269 -5.420 -2.252) 7.887 6.238 ( 3.989 -2.106 0.833) 4.587 6.247 ( 1.841 -3.114 -6.082) 7.077 6.579 ( 4.782 3.792 -0.416) 6.117 6.817 ( -0.692 1.505 2.177) 2.736 6.994 ( 0.549 -1.403 -3.358) 3.680 7.053 ( -5.393 -4.617 -0.756) 7.140 7.180 ( 2.409 2.459 -2.750) 4.406 7.332 ( -0.764 -3.796 -5.574) 6.787 7.764 ( 2.293 -3.167 0.624) 3.959 7.837 ( 3.748 0.225 4.854) 6.137 8.039 ( -1.474 0.343 -1.065) 1.850 8.153 ( -3.582 -2.154 3.299) 5.325 8.257 ( 0.066 5.538 -0.932) 5.617 8.479 ( -5.118 1.963 0.385) 5.496 8.611 ( 2.446 -0.360 0.192) 2.480 8.617 ( 7.972 -4.504 3.344) 9.747 8.694 ( 0.285 0.685 1.542) 1.711 8.734 ( 6.461 -1.271 2.554) 7.063 9.009 ( 2.031 -3.947 0.538) 4.472 9.267 ( 1.287 -13.971 -6.256) 15.362 9.561 ( -0.810 11.181 6.610) 13.014 9.705 ( -10.123 -0.488 7.194) 12.428 10.097 ( 1.870 2.453 0.209) 3.092 10.198 ( 1.922 4.598 -0.232) 4.989 10.348 ( -2.687 2.192 -9.703) 10.304 10.399 ( -2.654 -1.758 -8.882) 9.435 10.775 ( -0.895 -0.841 3.339) 3.558 10.793 ( -0.313 0.529 2.724) 2.792 10.968 ( 5.609 -3.903 6.452) 9.398 11.205 ( 8.215 -2.402 -0.320) 8.565 11.491 ( 0.043 0.716 -0.412) 0.827 11.547 ( -0.987 0.359 -2.839) 3.027 12.285 ( -0.970 2.879 -7.533) 8.123 12.344 ( -1.254 2.094 -9.416) 9.727 12.699 ( -3.899 1.253 7.528) 8.570 12.824 ( -3.928 0.137 2.830) 4.843 13.468 ( 1.421 -3.187 5.228) 6.286 13.651 ( -1.262 3.823 0.190) 4.030 14.068 ( 6.654 1.243 -1.603) 6.956 14.288 ( -1.554 -1.501 -0.760) 2.290 14.826 ( -5.001 5.625 1.310) 7.640 15.070 ( -11.029 1.656 4.062) 11.869 15.536 ( 4.570 0.199 2.999) 5.470 15.657 ( 5.297 -1.305 4.363) 6.986 15.847 ( -0.546 -6.846 2.798) 7.415 15.931 ( 1.557 1.309 -0.570) 2.113 16.011 ( 1.816 1.354 2.858) 3.647 16.088 ( 1.441 -1.469 -7.385) 7.667 16.126 ( 3.635 -1.368 -5.229) 6.514 16.330 ( -0.453 -4.227 -7.013) 8.201 16.708 ( -0.594 -0.037 0.271) 0.654 16.799 ( -1.114 -0.311 -0.927) 1.482 17.067 ( 1.617 -1.634 6.261) 6.669 17.247 ( 5.214 -2.935 -0.640) 6.017 43.658 ( 0.784 -0.616 0.962) 1.386 43.712 ( 0.423 -0.438 -0.938) 1.118 44.152 ( -0.124 1.470 -0.087) 1.477 44.163 ( -0.241 0.716 -0.509) 0.911 44.181 ( -0.195 0.247 -0.060) 0.320 44.228 ( -2.603 -0.140 0.979) 2.785 44.348 ( 0.670 -0.153 0.566) 0.891 44.408 ( -0.517 -0.529 -0.552) 0.923 44.486 ( 0.004 2.989 -0.686) 3.066 44.552 ( -3.593 0.077 -0.600) 3.643 44.997 ( 1.973 -1.362 2.830) 3.709 45.127 ( 2.698 -1.789 -2.231) 3.931 97.966 ( 0.177 -0.051 0.318) 0.368 97.986 ( 0.071 -0.236 -0.328) 0.411 98.002 ( -0.172 0.117 -0.012) 0.209 98.006 ( -0.054 0.109 -0.235) 0.264 98.151 ( -0.187 0.163 0.790) 0.828 98.187 ( -0.139 0.108 -0.602) 0.628 98.248 ( 0.701 0.096 0.051) 0.709 98.263 ( 0.589 0.168 -0.065) 0.616 98.269 ( -0.153 -0.705 0.008) 0.722 98.299 ( -0.370 -1.273 0.022) 1.326 98.341 ( -0.598 0.714 -0.052) 0.933 98.347 ( -0.354 1.032 -0.242) 1.118 100.772 ( 0.007 0.085 0.355) 0.365 100.791 ( -0.016 -0.144 -0.112) 0.183 100.798 ( 0.130 0.111 -0.202) 0.264 100.805 ( -0.104 -0.067 0.003) 0.123 100.944 ( -0.217 0.141 0.076) 0.269 100.948 ( -0.106 0.077 -0.070) 0.148 100.977 ( 0.158 -0.022 -0.006) 0.160 100.978 ( -0.014 -0.102 -0.000) 0.103 100.987 ( 0.338 -0.021 0.007) 0.338 100.994 ( 0.017 -0.276 -0.066) 0.285 101.019 ( -0.041 0.122 0.154) 0.201 101.028 ( -0.127 0.108 -0.084) 0.186 ======================= Grid point 65 (23/39) ======================= q-point: ( 0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 9.507 7.603 9.954) 15.725 1.623 ( 12.346 13.185 5.116) 18.774 1.707 ( -2.700 -1.754 2.082) 3.834 1.799 ( 3.575 5.573 -7.893) 10.302 1.865 ( 2.398 1.056 -2.610) 3.698 2.042 ( 3.834 6.105 3.089) 7.843 2.146 ( 6.064 4.789 2.214) 8.038 2.238 ( 8.959 -1.859 -2.081) 9.384 2.263 ( 2.844 -0.007 -6.431) 7.031 2.335 ( -0.137 1.222 7.152) 7.257 2.394 ( 1.353 3.301 1.244) 3.779 2.499 ( -2.007 4.196 -0.547) 4.683 2.547 ( 0.805 -4.512 -1.547) 4.837 2.694 ( -6.770 -5.647 -4.284) 9.802 2.735 ( 3.964 3.030 -3.428) 6.054 2.883 ( -0.544 4.040 0.304) 4.088 2.940 ( 1.054 1.012 -1.937) 2.426 3.036 ( -2.532 -0.311 -0.395) 2.581 3.099 ( -4.403 -2.128 -1.155) 5.024 3.115 ( 1.359 2.237 1.614) 3.075 3.210 ( 3.098 2.815 4.807) 6.374 3.285 ( -2.358 -2.563 -2.385) 4.221 3.399 ( -4.045 -1.394 -4.568) 6.259 3.460 ( -0.307 -0.630 1.323) 1.497 3.540 ( -2.517 0.241 0.685) 2.620 3.586 ( 2.207 2.011 1.638) 3.406 3.674 ( 0.948 2.115 0.583) 2.390 3.729 ( 2.076 1.991 -0.758) 2.975 3.831 ( 2.801 -2.697 0.485) 3.919 3.925 ( -5.754 -1.209 0.801) 5.934 3.964 ( -1.535 1.181 1.874) 2.695 3.989 ( 0.140 -0.358 -0.430) 0.577 4.094 ( 2.936 -0.785 0.199) 3.046 4.167 ( 3.174 1.645 3.712) 5.153 4.274 ( 2.077 1.693 -0.258) 2.692 4.330 ( 5.843 1.810 0.915) 6.185 4.366 ( 1.466 0.628 -1.650) 2.295 4.497 ( 2.006 4.797 -1.698) 5.470 4.555 ( 6.995 0.954 2.256) 7.412 4.649 ( 1.809 0.353 3.887) 4.302 4.789 ( -1.658 3.574 -0.963) 4.056 4.873 ( -0.388 -1.263 -1.639) 2.106 5.001 ( 3.490 -1.740 5.889) 7.063 5.108 ( 2.400 0.756 1.778) 3.081 5.203 ( -0.882 -1.793 2.847) 3.479 5.297 ( -2.661 0.672 -2.743) 3.881 5.331 ( 0.797 6.923 -5.029) 8.594 5.383 ( 1.419 4.133 -1.799) 4.726 5.533 ( 4.669 2.046 0.416) 5.115 5.595 ( 0.736 -0.814 2.968) 3.164 5.666 ( 2.477 0.147 -1.442) 2.870 5.848 ( -7.549 -3.864 1.004) 8.540 5.869 ( -1.311 1.121 2.032) 2.666 5.940 ( -3.426 -4.143 -5.768) 7.885 6.153 ( -4.143 -7.394 1.700) 8.645 6.212 ( -2.467 -2.581 -4.529) 5.767 6.664 ( 3.031 -4.230 0.320) 5.214 6.762 ( -2.168 1.244 -1.481) 2.905 6.922 ( -7.338 5.856 0.031) 9.388 7.067 ( 3.395 -4.825 -0.161) 5.902 7.228 ( 1.842 -3.143 -3.329) 4.935 7.250 ( -2.371 0.900 -4.408) 5.085 7.731 ( -0.217 -1.364 2.421) 2.787 7.849 ( 0.188 -1.378 3.165) 3.457 8.010 ( -2.932 -0.845 7.834) 8.407 8.117 ( -0.379 0.594 -0.611) 0.933 8.334 ( 2.249 -1.111 -1.246) 2.800 8.470 ( -7.910 -0.413 -3.892) 8.825 8.505 ( 0.373 5.077 -0.520) 5.117 8.603 ( 0.054 -3.510 2.072) 4.076 8.702 ( -0.336 1.673 -0.012) 1.707 8.743 ( 0.184 -6.652 3.347) 7.449 8.944 ( -2.853 -4.536 -0.202) 5.362 9.046 ( -6.693 -8.442 -4.727) 11.765 9.684 ( 2.283 11.483 7.549) 13.931 9.805 ( 8.377 0.957 6.459) 10.621 10.110 ( -0.724 -1.023 3.644) 3.853 10.285 ( 2.736 1.106 -4.917) 5.734 10.354 ( -0.822 1.259 -10.037) 10.149 10.402 ( 1.795 1.669 -7.387) 7.783 10.760 ( -0.369 1.186 3.220) 3.451 10.798 ( -0.025 -0.503 3.395) 3.433 10.896 ( -2.648 -3.236 4.215) 5.937 11.122 ( -5.382 -5.708 0.285) 7.851 11.504 ( 0.550 0.873 -0.185) 1.048 11.559 ( 0.701 0.499 -2.932) 3.055 12.341 ( 2.133 2.410 -8.698) 9.274 12.384 ( 1.655 1.598 -9.998) 10.259 12.752 ( 3.710 3.606 6.741) 8.498 12.827 ( 0.817 2.879 6.122) 6.814 13.402 ( -2.939 -2.342 6.706) 7.687 13.709 ( 1.464 1.856 -4.816) 5.365 14.066 ( -1.333 -2.350 3.659) 4.549 14.279 ( 0.785 1.207 -4.230) 4.468 14.975 ( 7.798 4.359 5.641) 10.566 15.152 ( 6.648 8.913 -0.360) 11.125 15.545 ( -1.092 -1.630 1.644) 2.560 15.602 ( -2.988 -7.784 1.357) 8.448 15.706 ( -6.051 0.795 6.289) 8.764 15.904 ( -2.832 -2.420 0.793) 3.808 16.022 ( -1.505 -0.683 -3.239) 3.636 16.077 ( -0.984 -3.527 -2.282) 4.314 16.086 ( -0.651 -0.344 -3.209) 3.292 16.253 ( -2.640 -2.871 -5.543) 6.778 16.719 ( 0.993 -0.800 -1.322) 1.837 16.778 ( -1.705 0.374 0.690) 1.877 17.037 ( -0.883 -1.104 4.054) 4.294 17.174 ( -3.870 -4.066 -0.835) 5.676 43.643 ( -0.684 -0.698 1.122) 1.488 43.703 ( -0.411 -0.398 -1.171) 1.304 44.169 ( 0.467 -0.176 -0.445) 0.669 44.171 ( -0.087 0.482 -0.591) 0.767 44.216 ( 2.388 0.083 0.679) 2.484 44.225 ( 0.072 2.376 0.660) 2.467 44.343 ( -0.332 -0.516 1.255) 1.397 44.409 ( 0.499 0.732 -1.203) 1.494 44.549 ( 1.485 1.939 -0.388) 2.473 44.554 ( 1.678 1.248 -0.643) 2.188 44.962 ( -1.951 -1.936 2.601) 3.784 45.079 ( -2.627 -2.637 -2.045) 4.247 97.964 ( -0.111 -0.086 0.314) 0.344 97.983 ( -0.100 -0.197 -0.374) 0.434 98.004 ( 0.103 0.165 -0.060) 0.204 98.007 ( 0.039 0.063 -0.081) 0.110 98.155 ( 0.224 0.230 0.758) 0.824 98.190 ( 0.160 0.158 -0.601) 0.642 98.249 ( -0.250 -0.358 0.076) 0.443 98.252 ( -0.370 -0.310 -0.046) 0.485 98.271 ( 0.338 -0.817 -0.014) 0.884 98.275 ( -0.956 0.268 -0.009) 0.993 98.354 ( 0.564 0.654 0.009) 0.864 98.363 ( 0.584 0.471 -0.147) 0.765 100.774 ( 0.141 0.104 0.331) 0.374 100.788 ( -0.119 -0.013 -0.109) 0.162 100.800 ( -0.016 -0.190 -0.081) 0.207 100.803 ( -0.021 0.081 -0.097) 0.128 100.948 ( 0.207 0.218 0.032) 0.303 100.950 ( 0.112 0.112 -0.042) 0.163 100.975 ( -0.110 -0.021 0.024) 0.114 100.977 ( -0.041 -0.164 -0.011) 0.169 100.986 ( -0.155 -0.162 0.013) 0.224 100.988 ( -0.178 -0.179 -0.085) 0.267 101.021 ( 0.084 0.083 0.203) 0.235 101.030 ( 0.122 0.132 -0.149) 0.233 ======================= Grid point 66 (24/39) ======================= q-point: ( 0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 7.772 1.937 6.431) 10.272 1.615 ( -4.039 0.422 0.740) 4.128 1.790 ( 4.730 5.204 -1.312) 7.154 1.874 ( 2.596 3.488 -2.575) 5.054 1.989 ( 9.840 6.487 5.069) 12.830 2.031 ( -3.654 5.170 3.024) 7.016 2.184 ( -8.415 -1.734 -1.519) 8.725 2.286 ( 1.454 -5.639 -2.507) 6.340 2.313 ( 0.982 2.518 -0.453) 2.740 2.372 ( -3.509 0.083 -0.856) 3.612 2.400 ( 1.177 3.533 -1.218) 3.917 2.448 ( 2.712 -3.536 -2.093) 4.923 2.549 ( -2.724 -4.201 0.063) 5.007 2.650 ( 0.198 -5.931 4.265) 7.308 2.838 ( 3.776 2.673 0.766) 4.689 2.917 ( 5.688 1.916 -3.086) 6.749 2.982 ( 1.173 1.746 -3.748) 4.297 3.013 ( 1.866 -1.355 -1.725) 2.880 3.060 ( -0.516 5.284 0.462) 5.330 3.181 ( 7.093 0.941 -0.947) 7.217 3.235 ( -3.171 1.586 1.930) 4.037 3.266 ( 1.465 3.241 -1.516) 3.866 3.345 ( 1.348 1.196 -3.125) 3.607 3.420 ( -5.369 2.943 1.110) 6.222 3.470 ( -3.509 -0.606 2.620) 4.422 3.542 ( -3.652 1.325 -3.869) 5.483 3.728 ( 3.873 1.981 0.342) 4.364 3.743 ( -4.481 -0.974 3.096) 5.533 3.814 ( -1.322 2.210 2.855) 3.845 3.875 ( 1.870 -2.649 0.761) 3.331 3.926 ( -0.890 0.325 -0.410) 1.032 4.009 ( 1.065 3.382 1.574) 3.880 4.139 ( 0.710 1.447 0.202) 1.624 4.252 ( 0.232 0.209 2.472) 2.492 4.271 ( 2.339 -0.994 3.236) 4.115 4.338 ( -2.144 5.166 -1.058) 5.692 4.516 ( 7.314 5.605 -0.807) 9.250 4.544 ( 1.498 5.405 -1.122) 5.720 4.587 ( -1.442 3.858 3.685) 5.527 4.689 ( 0.098 1.269 4.110) 4.303 4.813 ( 2.030 3.817 -3.505) 5.566 4.853 ( -0.837 -2.541 -2.699) 3.800 5.033 ( -0.453 4.163 2.627) 4.943 5.094 ( -3.711 -0.001 0.670) 3.771 5.148 ( -0.104 -1.234 1.872) 2.245 5.264 ( -0.117 -0.078 0.461) 0.482 5.381 ( 3.605 6.071 -6.351) 9.496 5.408 ( 1.290 2.163 -1.325) 2.846 5.597 ( -0.304 -5.884 1.309) 6.036 5.661 ( -3.564 0.321 0.988) 3.712 5.715 ( 8.210 -1.029 0.872) 8.320 5.744 ( -0.209 -0.548 1.769) 1.863 5.817 ( -2.581 -0.107 -1.849) 3.177 5.921 ( -0.051 -3.409 -1.208) 3.617 6.095 ( -0.519 -7.151 -1.477) 7.320 6.125 ( -5.949 -3.571 -1.642) 7.130 6.661 ( -3.154 1.688 0.910) 3.691 6.763 ( 0.907 -1.253 -1.096) 1.896 6.839 ( 1.485 -0.222 -2.591) 2.995 7.062 ( -2.216 -5.325 1.393) 5.933 7.237 ( -0.678 -0.742 -5.191) 5.287 7.267 ( 1.615 -1.999 -1.886) 3.187 7.731 ( -0.353 -0.069 3.750) 3.767 7.832 ( -1.284 0.898 6.482) 6.669 7.985 ( 0.973 -3.605 4.550) 5.886 8.117 ( 0.167 -2.587 1.461) 2.976 8.323 ( -3.935 0.659 -5.372) 6.691 8.398 ( 2.953 -0.045 -3.410) 4.511 8.503 ( -0.465 3.995 -1.331) 4.236 8.593 ( -1.291 -1.518 1.948) 2.787 8.690 ( -2.237 -0.213 1.299) 2.595 8.716 ( -0.456 -0.682 0.957) 1.261 8.894 ( -1.575 -5.384 0.083) 5.610 8.985 ( -0.713 -13.865 -3.981) 14.443 9.735 ( 2.568 11.084 7.162) 13.444 9.942 ( 4.250 0.946 5.657) 7.139 10.071 ( -2.709 -0.733 5.271) 5.972 10.292 ( -0.775 5.086 -6.947) 8.644 10.376 ( 1.732 -1.087 -6.376) 6.696 10.425 ( 0.444 0.858 -8.693) 8.747 10.763 ( 0.610 1.325 2.466) 2.865 10.793 ( -0.331 -1.278 5.517) 5.673 10.868 ( -0.327 -2.173 2.555) 3.370 11.018 ( -3.693 -3.424 -0.149) 5.038 11.514 ( 0.361 1.161 -0.465) 1.302 11.570 ( 0.264 0.182 -2.849) 2.867 12.368 ( 0.694 3.572 -9.249) 9.939 12.408 ( 0.519 1.973 -9.179) 9.403 12.812 ( 1.332 3.732 7.467) 8.453 12.867 ( 2.555 1.025 5.648) 6.282 13.359 ( -1.080 -3.248 7.060) 7.846 13.715 ( -0.283 1.179 -7.984) 8.075 14.036 ( -1.195 2.691 6.318) 6.970 14.304 ( 1.098 0.587 -4.127) 4.311 15.116 ( 4.816 6.738 4.890) 9.618 15.296 ( 5.123 3.672 -1.233) 6.422 15.438 ( -3.919 0.232 0.880) 4.023 15.582 ( -6.620 -0.363 3.816) 7.650 15.633 ( 3.586 -6.461 3.186) 8.047 15.863 ( -0.857 -4.142 1.281) 4.419 15.960 ( -2.813 -0.031 -4.844) 5.602 16.033 ( -1.426 -2.676 -1.400) 3.339 16.109 ( 0.619 0.622 0.162) 0.892 16.223 ( -0.597 -5.483 -4.523) 7.133 16.736 ( -1.143 -0.791 -0.206) 1.406 16.749 ( 0.889 -1.776 -0.701) 2.106 17.040 ( 1.143 -1.038 2.092) 2.601 17.099 ( -3.168 -2.722 -0.433) 4.199 43.633 ( -0.283 -0.638 1.176) 1.367 43.697 ( -0.145 -0.382 -1.263) 1.328 44.167 ( -0.157 0.365 -0.471) 0.616 44.177 ( 0.209 -0.357 -0.442) 0.605 44.219 ( -0.204 2.739 0.583) 2.808 44.263 ( 1.408 -0.167 0.618) 1.547 44.337 ( -0.182 -0.305 1.533) 1.574 44.420 ( 0.394 0.739 -1.571) 1.780 44.548 ( -0.136 3.228 -0.225) 3.239 44.608 ( 1.742 -0.287 -0.519) 1.840 44.928 ( -1.036 -1.925 2.246) 3.134 45.034 ( -1.409 -2.624 -1.750) 3.454 97.962 ( -0.047 -0.037 0.265) 0.272 97.981 ( -0.054 -0.233 -0.344) 0.419 98.006 ( 0.092 0.129 -0.066) 0.172 98.008 ( -0.012 0.058 -0.019) 0.062 98.159 ( 0.115 0.271 0.704) 0.764 98.192 ( 0.086 0.177 -0.575) 0.608 98.239 ( -0.314 0.073 0.086) 0.333 98.253 ( 0.023 -0.777 -0.006) 0.778 98.261 ( -0.375 0.148 -0.064) 0.408 98.277 ( 0.193 -0.957 -0.009) 0.976 98.363 ( 0.233 0.664 0.043) 0.705 98.371 ( 0.151 0.588 -0.097) 0.615 100.777 ( 0.043 0.259 0.286) 0.388 100.787 ( 0.045 -0.091 -0.074) 0.125 100.797 ( -0.142 -0.175 0.028) 0.227 100.804 ( 0.047 -0.013 -0.194) 0.200 100.952 ( 0.098 0.189 -0.027) 0.214 100.952 ( 0.085 0.150 -0.004) 0.173 100.973 ( -0.061 -0.025 0.007) 0.066 100.976 ( -0.025 -0.175 0.004) 0.177 100.981 ( -0.161 0.002 -0.006) 0.161 100.987 ( -0.008 -0.333 -0.044) 0.336 101.022 ( 0.028 0.112 0.207) 0.237 101.032 ( 0.053 0.128 -0.168) 0.218 ======================= Grid point 67 (25/39) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -7.153 3.660 6.363) 10.249 1.652 ( 3.602 -1.155 2.026) 4.291 1.829 ( -3.061 3.438 1.874) 4.971 1.889 ( -5.618 10.275 5.167) 12.799 1.931 ( -4.446 -1.275 -6.003) 7.578 2.075 ( 3.803 0.696 -4.339) 5.812 2.150 ( 1.680 6.234 1.275) 6.582 2.240 ( -2.217 2.596 1.233) 3.629 2.277 ( 0.483 -0.782 -4.109) 4.210 2.369 ( -2.183 7.531 -6.123) 9.949 2.389 ( -1.180 -7.502 6.159) 9.778 2.497 ( 0.896 3.752 1.096) 4.011 2.560 ( 4.540 -8.754 -1.284) 9.944 2.603 ( -2.248 -6.600 2.850) 7.533 2.829 ( -4.516 3.668 -0.464) 5.836 2.938 ( -2.674 -1.039 -3.167) 4.273 3.010 ( -1.054 -1.514 2.398) 3.026 3.052 ( 0.382 4.225 -0.380) 4.260 3.077 ( -0.567 -1.192 -2.442) 2.776 3.162 ( 0.400 -0.124 -1.184) 1.256 3.228 ( -3.907 2.511 -2.448) 5.250 3.293 ( -3.413 3.446 3.608) 6.045 3.388 ( 3.324 2.241 -0.400) 4.029 3.429 ( 4.368 1.385 -3.237) 5.610 3.452 ( 4.096 0.134 -4.850) 6.350 3.575 ( 7.964 0.830 1.275) 8.108 3.637 ( -3.059 -1.581 3.743) 5.086 3.753 ( -1.683 3.498 4.340) 5.823 3.839 ( 0.647 1.981 -1.664) 2.667 3.882 ( -0.750 -6.830 -0.699) 6.907 3.934 ( 3.096 3.854 0.590) 4.979 4.009 ( -1.600 0.450 1.047) 1.965 4.142 ( -2.011 1.011 3.237) 3.943 4.189 ( -1.712 3.635 2.527) 4.746 4.299 ( -1.025 6.601 0.014) 6.680 4.317 ( 0.050 0.616 1.377) 1.509 4.474 ( -6.214 2.372 -0.270) 6.656 4.561 ( -0.136 9.068 3.346) 9.667 4.614 ( -2.677 3.094 -1.043) 4.223 4.677 ( -1.386 3.139 2.767) 4.408 4.789 ( 1.277 -0.521 -3.062) 3.358 4.873 ( 0.333 1.841 -2.930) 3.477 4.980 ( -1.771 3.897 1.961) 4.708 5.125 ( -1.064 -0.688 3.667) 3.880 5.148 ( 4.353 1.479 1.541) 4.849 5.282 ( 1.447 -0.926 -0.504) 1.790 5.388 ( -1.089 0.311 -5.018) 5.144 5.481 ( 0.247 1.770 -1.025) 2.060 5.522 ( -1.812 0.780 -2.634) 3.290 5.626 ( -1.487 -2.185 -0.299) 2.660 5.688 ( -3.196 1.248 2.065) 4.005 5.812 ( 1.038 -3.339 -0.518) 3.534 5.875 ( 2.489 -2.205 1.214) 3.540 5.915 ( 0.589 -3.444 0.555) 3.538 6.020 ( 0.324 -4.120 1.671) 4.458 6.147 ( 3.870 -4.622 -5.315) 8.037 6.612 ( -0.163 3.334 0.362) 3.358 6.779 ( 0.121 -3.051 -0.800) 3.157 6.940 ( 6.903 0.266 -2.115) 7.225 7.012 ( -2.956 -7.004 1.548) 7.758 7.211 ( -1.223 0.718 -4.335) 4.561 7.271 ( -0.882 -1.794 -3.557) 4.080 7.720 ( -0.271 0.316 3.024) 3.052 7.823 ( 0.640 1.721 6.279) 6.542 8.005 ( 0.102 -4.775 6.697) 8.226 8.125 ( 0.244 -2.967 0.240) 2.987 8.299 ( 1.402 1.204 -4.015) 4.420 8.468 ( 0.275 -4.415 -5.519) 7.073 8.512 ( 4.678 4.575 -0.537) 6.565 8.599 ( 3.083 -0.168 2.628) 4.055 8.612 ( -4.339 0.638 1.965) 4.806 8.726 ( 0.036 0.025 0.364) 0.367 8.891 ( 1.228 -4.633 -0.074) 4.794 8.979 ( 0.270 -12.734 -4.105) 13.382 9.775 ( 0.982 9.638 7.008) 11.957 9.908 ( -7.019 1.410 6.351) 9.570 10.071 ( 2.387 -0.392 4.649) 5.240 10.283 ( 0.083 4.917 -5.202) 7.159 10.387 ( -0.928 -1.112 -8.908) 9.025 10.425 ( -0.435 0.833 -7.829) 7.885 10.777 ( 0.288 0.624 1.574) 1.717 10.790 ( -0.015 -1.005 5.053) 5.152 10.860 ( -0.025 -1.936 4.242) 4.663 11.018 ( 3.587 -3.337 -0.540) 4.929 11.516 ( -0.226 1.015 -0.363) 1.101 11.568 ( -0.357 0.272 -2.970) 3.004 12.373 ( -0.414 3.680 -8.944) 9.681 12.403 ( -0.734 1.721 -9.463) 9.646 12.808 ( -1.580 3.597 8.134) 9.033 12.883 ( -1.526 0.286 4.908) 5.148 13.362 ( 1.315 -3.550 7.205) 8.139 13.719 ( 0.513 0.973 -8.067) 8.142 14.027 ( 0.661 3.162 5.607) 6.470 14.307 ( -0.870 0.488 -3.093) 3.250 15.085 ( -5.931 7.513 2.043) 9.787 15.346 ( -7.494 4.522 3.587) 9.459 15.421 ( 6.842 1.023 3.205) 7.624 15.518 ( 1.790 -3.648 -2.231) 4.635 15.702 ( 1.993 -5.941 5.106) 8.084 15.862 ( 1.007 -4.267 0.126) 4.386 15.965 ( 3.412 0.193 -3.407) 4.826 16.025 ( 0.572 -2.502 -1.437) 2.941 16.102 ( -1.004 0.946 -1.252) 1.862 16.222 ( 0.519 -5.353 -3.981) 6.691 16.714 ( -0.439 -0.135 -0.173) 0.491 16.774 ( 0.869 -2.608 -0.314) 2.767 17.040 ( -1.313 -0.898 1.114) 1.942 17.096 ( 3.133 -2.617 0.304) 4.093 43.633 ( 0.277 -0.631 1.165) 1.354 43.697 ( 0.150 -0.389 -1.250) 1.318 44.166 ( 0.054 0.382 -0.429) 0.577 44.178 ( -0.125 -0.353 -0.469) 0.601 44.216 ( -0.070 2.786 0.487) 2.829 44.266 ( -1.142 -0.200 0.727) 1.368 44.336 ( 0.122 -0.230 1.503) 1.525 44.421 ( -0.316 0.640 -1.549) 1.705 44.548 ( 0.145 3.209 -0.294) 3.226 44.608 ( -1.744 -0.277 -0.478) 1.830 44.928 ( 1.044 -1.933 2.266) 3.156 45.033 ( 1.404 -2.619 -1.764) 3.455 97.962 ( 0.058 -0.048 0.284) 0.294 97.981 ( 0.015 -0.186 -0.374) 0.418 98.006 ( -0.070 0.090 -0.006) 0.114 98.008 ( 0.023 0.055 -0.069) 0.091 98.159 ( -0.112 0.268 0.708) 0.765 98.192 ( -0.086 0.178 -0.580) 0.613 98.239 ( 0.290 0.079 0.099) 0.317 98.252 ( -0.017 -0.706 -0.060) 0.708 98.260 ( 0.234 0.107 -0.025) 0.258 98.278 ( -0.030 -1.004 -0.002) 1.004 98.363 ( -0.195 0.614 0.105) 0.652 98.370 ( -0.196 0.649 -0.165) 0.697 100.776 ( -0.063 0.266 0.259) 0.376 100.789 ( 0.006 -0.133 0.009) 0.134 100.796 ( 0.083 -0.111 -0.080) 0.160 100.804 ( -0.019 -0.040 -0.143) 0.150 100.952 ( -0.084 0.193 -0.020) 0.212 100.952 ( -0.094 0.141 -0.011) 0.169 100.974 ( 0.084 -0.032 -0.004) 0.090 100.976 ( -0.012 -0.151 0.017) 0.153 100.981 ( 0.154 -0.000 0.005) 0.154 100.987 ( 0.011 -0.327 -0.055) 0.332 101.022 ( -0.028 0.112 0.203) 0.233 101.032 ( -0.050 0.123 -0.163) 0.210 ======================= Grid point 73 (26/39) ======================= q-point: ( 0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 1.979 1.116 5.564) 6.010 1.622 ( -0.853 -0.014 0.579) 1.031 1.876 ( 3.771 0.866 -1.914) 4.317 1.897 ( -1.558 3.812 -5.330) 6.736 2.012 ( -4.141 -6.005 -2.633) 7.755 2.139 ( 11.841 6.307 6.398) 14.863 2.178 ( -2.974 -3.518 -5.237) 6.975 2.254 ( -4.701 8.895 5.798) 11.612 2.333 ( 4.640 -3.004 6.081) 8.218 2.355 ( 4.287 -2.727 1.284) 5.241 2.399 ( -4.205 -0.612 -0.915) 4.347 2.449 ( -7.626 -2.065 4.451) 9.069 2.506 ( 2.971 1.585 -5.212) 6.205 2.545 ( 0.129 -2.395 -0.207) 2.407 2.889 ( 1.433 1.952 1.668) 2.940 2.910 ( -0.077 0.453 -3.885) 3.912 2.963 ( -2.979 -3.639 -1.049) 4.818 3.083 ( 1.103 2.683 -5.710) 6.405 3.176 ( 4.417 1.711 2.141) 5.198 3.233 ( 7.453 9.352 -1.401) 12.040 3.300 ( 6.389 2.030 -1.913) 6.971 3.334 ( 0.174 6.137 -1.297) 6.275 3.410 ( 0.173 -0.475 -1.696) 1.770 3.454 ( 0.666 1.411 2.244) 2.733 3.474 ( 0.200 -0.311 -1.206) 1.261 3.519 ( -8.638 -0.302 -2.479) 8.991 3.579 ( -0.017 -11.981 0.868) 12.012 3.685 ( -7.930 -4.458 -2.106) 9.338 3.832 ( 2.566 0.789 4.710) 5.421 3.900 ( 1.605 3.148 1.526) 3.849 3.941 ( -1.457 -0.656 1.607) 2.266 4.012 ( 0.775 -0.491 0.197) 0.939 4.174 ( 1.583 1.615 5.450) 5.901 4.259 ( 1.757 0.336 4.624) 4.958 4.276 ( -1.218 0.233 3.623) 3.829 4.487 ( 4.113 5.883 -2.432) 7.579 4.534 ( 5.952 1.686 -0.441) 6.202 4.618 ( -1.207 0.889 -2.237) 2.693 4.705 ( 2.541 2.069 1.544) 3.622 4.748 ( 1.558 4.576 2.236) 5.326 4.795 ( 0.482 -3.358 0.032) 3.392 4.887 ( 1.069 2.561 -2.990) 4.079 5.061 ( 3.615 0.355 -1.997) 4.145 5.111 ( -2.848 0.453 -0.304) 2.899 5.126 ( -0.756 -0.466 3.225) 3.345 5.237 ( -1.613 -1.759 0.054) 2.387 5.387 ( -1.804 -2.914 -2.840) 4.451 5.493 ( 1.872 3.417 -4.653) 6.069 5.534 ( -0.644 -0.333 -0.785) 1.069 5.620 ( 0.681 -1.467 -3.854) 4.179 5.764 ( 3.615 4.618 1.860) 6.152 5.782 ( 1.423 2.184 3.939) 4.723 5.849 ( -1.357 -3.175 0.989) 3.592 5.861 ( -1.436 1.624 0.160) 2.174 5.956 ( -0.423 -3.100 0.822) 3.235 6.038 ( -6.103 -5.422 -1.373) 8.278 6.661 ( 1.424 0.175 1.137) 1.830 6.754 ( 0.235 0.221 -2.484) 2.505 6.865 ( -4.611 1.785 -0.315) 4.955 6.910 ( -2.470 -7.379 -0.350) 7.789 7.248 ( 1.565 0.305 -3.173) 3.551 7.255 ( -0.222 0.774 -3.549) 3.639 7.726 ( 0.021 -0.192 4.368) 4.373 7.847 ( 0.262 0.119 3.725) 3.736 7.931 ( -1.507 -1.151 9.182) 9.376 8.085 ( -0.894 -0.771 -0.322) 1.224 8.310 ( -0.586 -1.105 -4.803) 4.963 8.414 ( 0.287 1.577 -8.550) 8.699 8.559 ( 0.492 -0.670 3.218) 3.324 8.570 ( -1.438 0.011 3.332) 3.629 8.670 ( 2.424 -1.376 -1.397) 3.118 8.698 ( -2.380 -0.072 -2.269) 3.289 8.811 ( -3.381 -2.214 -0.641) 4.092 8.816 ( -2.036 -2.967 -0.279) 3.609 9.911 ( 3.026 4.994 7.337) 9.377 9.956 ( 3.432 1.187 5.370) 6.483 10.038 ( -2.631 -2.309 6.224) 7.141 10.358 ( 1.977 0.471 -6.317) 6.636 10.367 ( -0.420 1.114 -7.085) 7.185 10.437 ( 0.184 0.172 -9.192) 9.195 10.767 ( -0.786 -0.814 4.528) 4.667 10.806 ( 1.456 1.962 2.865) 3.766 10.836 ( -0.197 -0.708 3.071) 3.158 10.942 ( -3.229 -3.179 -0.017) 4.531 11.531 ( 0.391 0.418 -0.570) 0.808 11.573 ( 0.160 0.138 -3.024) 3.032 12.423 ( 1.057 1.546 -9.515) 9.698 12.430 ( 0.822 0.333 -9.720) 9.760 12.882 ( 2.447 1.755 7.318) 7.914 12.893 ( 0.677 1.503 7.283) 7.467 13.306 ( -1.608 -1.573 7.783) 8.102 13.712 ( -0.780 -0.727 -10.120) 10.176 14.079 ( 1.420 1.284 7.181) 7.432 14.325 ( 0.849 0.928 -4.442) 4.617 15.240 ( 7.081 5.574 4.565) 10.102 15.383 ( -5.282 0.080 -1.670) 5.540 15.418 ( 1.350 -0.748 1.069) 1.877 15.522 ( 4.968 -0.712 3.037) 5.866 15.597 ( -4.228 0.016 4.255) 5.999 15.779 ( -3.201 -3.442 -1.037) 4.813 15.952 ( -1.980 -1.547 -4.525) 5.176 15.964 ( -1.417 -1.914 -1.789) 2.979 16.124 ( 0.802 0.713 0.542) 1.203 16.154 ( -1.359 -1.372 0.267) 1.950 16.715 ( 0.219 -0.511 -2.030) 2.105 16.727 ( -1.597 -0.816 -1.216) 2.167 17.032 ( 0.220 0.281 1.041) 1.100 17.052 ( -1.613 -1.716 0.527) 2.413 43.623 ( -0.260 -0.260 1.263) 1.316 43.691 ( -0.139 -0.139 -1.383) 1.397 44.171 ( 0.124 -0.104 -0.407) 0.438 44.172 ( -0.156 0.070 -0.425) 0.458 44.261 ( 1.142 0.283 0.562) 1.304 44.263 ( 0.107 0.965 0.544) 1.113 44.333 ( -0.109 -0.115 1.855) 1.861 44.433 ( 0.387 0.397 -2.079) 2.152 44.603 ( 1.714 -0.173 -0.219) 1.736 44.603 ( -0.179 1.707 -0.209) 1.729 44.895 ( -1.033 -1.030 2.057) 2.522 44.988 ( -1.435 -1.437 -1.613) 2.594 97.961 ( -0.033 -0.031 0.283) 0.286 97.978 ( -0.053 -0.059 -0.389) 0.397 98.008 ( 0.053 0.049 -0.014) 0.074 98.008 ( -0.001 0.007 -0.011) 0.013 98.164 ( 0.139 0.140 0.674) 0.702 98.196 ( 0.097 0.097 -0.576) 0.592 98.240 ( -0.091 -0.148 0.092) 0.197 98.241 ( -0.206 -0.153 0.068) 0.265 98.263 ( 0.090 -0.325 -0.079) 0.346 98.263 ( -0.388 0.031 -0.087) 0.398 98.372 ( 0.218 0.225 0.134) 0.341 98.379 ( 0.216 0.208 -0.142) 0.332 100.782 ( 0.246 0.221 0.207) 0.390 100.787 ( -0.046 0.003 -0.010) 0.047 100.792 ( -0.223 -0.250 0.129) 0.359 100.804 ( 0.014 0.017 -0.279) 0.280 100.954 ( 0.063 0.064 0.009) 0.091 100.956 ( 0.133 0.133 -0.066) 0.199 100.973 ( -0.044 -0.036 0.001) 0.057 100.973 ( -0.052 -0.061 -0.006) 0.080 100.981 ( -0.045 -0.071 0.009) 0.085 100.982 ( -0.120 -0.096 -0.017) 0.154 101.024 ( 0.038 0.038 0.217) 0.224 101.034 ( 0.051 0.051 -0.185) 0.198 ======================= Grid point 98 (27/39) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 0.000 0.000 0.000) 0.000 0.881 ( 0.000 0.000 0.000) 0.000 1.040 ( 0.000 0.000 0.000) 0.000 1.040 ( -0.000 0.000 0.000) 0.000 1.593 ( -0.000 0.000 -34.857) 34.857 1.593 ( 0.000 0.000 34.857) 34.857 2.170 ( 0.000 0.000 -4.389) 4.389 2.170 ( 0.000 0.000 4.389) 4.389 2.255 ( 0.000 0.000 0.000) 0.000 2.255 ( 0.000 -0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.603 ( -0.000 0.000 -4.272) 4.272 2.603 ( 0.000 0.000 4.272) 4.272 2.792 ( 0.000 -0.000 0.000) 0.000 2.792 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 2.962 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.260 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 -1.206) 1.206 3.463 ( 0.000 0.000 1.206) 1.206 3.582 ( 0.000 -0.000 -2.157) 2.157 3.582 ( 0.000 0.000 2.157) 2.157 3.757 ( 0.000 0.000 0.000) 0.000 3.757 ( -0.000 0.000 0.000) 0.000 3.891 ( -0.000 0.000 -0.265) 0.265 3.891 ( 0.000 0.000 0.265) 0.265 3.925 ( -0.000 0.000 0.000) 0.000 3.925 ( -0.000 -0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 -0.000 0.000) 0.000 4.269 ( 0.000 0.000 0.000) 0.000 4.269 ( -0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 -3.840) 3.840 4.365 ( 0.000 0.000 3.840) 3.840 4.442 ( -0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.814 ( 0.000 0.000 -4.574) 4.574 4.814 ( 0.000 0.000 4.574) 4.574 5.029 ( -0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 -13.671) 13.671 5.152 ( 0.000 -0.000 13.671) 13.671 5.179 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.910 ( -0.000 0.000 -6.017) 6.017 5.910 ( 0.000 0.000 6.017) 6.017 6.105 ( -0.000 0.000 -5.699) 5.699 6.105 ( 0.000 0.000 5.699) 5.699 6.348 ( -0.000 0.000 -2.639) 2.639 6.348 ( 0.000 0.000 2.639) 2.639 6.617 ( -0.000 0.000 0.000) 0.000 6.617 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 -4.368) 4.368 6.901 ( 0.000 0.000 4.368) 4.368 7.307 ( -0.000 0.000 0.000) 0.000 7.307 ( 0.000 0.000 0.000) 0.000 7.968 ( 0.000 0.000 -0.236) 0.236 7.968 ( 0.000 0.000 0.236) 0.236 8.011 ( 0.000 0.000 0.000) 0.000 8.011 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.186 ( 0.000 0.000 0.000) 0.000 8.587 ( -0.000 0.000 -0.222) 0.222 8.587 ( 0.000 0.000 0.222) 0.222 9.037 ( 0.000 0.000 -3.290) 3.290 9.037 ( -0.000 0.000 3.290) 3.290 9.412 ( 0.000 0.000 0.000) 0.000 9.412 ( 0.000 0.000 0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 9.487 ( 0.000 0.000 0.000) 0.000 10.049 ( 0.000 -0.000 -0.740) 0.740 10.049 ( 0.000 0.000 0.740) 0.740 10.238 ( 0.000 -0.000 -0.288) 0.288 10.238 ( 0.000 -0.000 0.288) 0.288 10.804 ( 0.000 0.000 0.000) 0.000 10.804 ( 0.000 0.000 0.000) 0.000 11.449 ( -0.000 0.000 -3.384) 3.384 11.449 ( -0.000 0.000 3.384) 3.384 11.635 ( 0.000 0.000 -0.020) 0.020 11.635 ( 0.000 0.000 0.020) 0.020 12.125 ( -0.000 0.000 0.000) 0.000 12.125 ( 0.000 0.000 0.000) 0.000 12.634 ( 0.000 0.000 0.000) 0.000 12.634 ( 0.000 0.000 0.000) 0.000 13.537 ( 0.000 0.000 0.000) 0.000 13.537 ( 0.000 0.000 0.000) 0.000 14.261 ( 0.000 0.000 0.000) 0.000 14.261 ( 0.000 0.000 0.000) 0.000 14.732 ( 0.000 0.000 -3.367) 3.367 14.732 ( -0.000 0.000 3.367) 3.367 15.877 ( 0.000 0.000 0.000) 0.000 15.877 ( 0.000 0.000 0.000) 0.000 15.947 ( 0.000 0.000 -13.145) 13.145 15.947 ( 0.000 0.000 13.145) 13.145 16.035 ( 0.000 0.000 0.000) 0.000 16.035 ( -0.000 0.000 0.000) 0.000 16.135 ( -0.000 0.000 -12.517) 12.517 16.135 ( 0.000 0.000 12.517) 12.517 16.720 ( 0.000 -0.000 -3.930) 3.930 16.720 ( 0.000 0.000 3.930) 3.930 17.380 ( -0.000 0.000 -9.048) 9.048 17.380 ( 0.000 0.000 9.048) 9.048 43.713 ( 0.000 0.000 -1.132) 1.132 43.713 ( 0.000 0.000 1.132) 1.132 44.123 ( 0.000 0.000 0.000) 0.000 44.123 ( 0.000 0.000 0.000) 0.000 44.173 ( 0.000 -0.000 0.000) 0.000 44.173 ( 0.000 0.000 0.000) 0.000 44.403 ( 0.000 0.000 0.000) 0.000 44.403 ( -0.000 -0.000 0.000) 0.000 44.418 ( -0.000 0.000 -0.159) 0.159 44.418 ( 0.000 0.000 0.159) 0.159 45.147 ( 0.000 0.000 -3.962) 3.962 45.147 ( 0.000 -0.000 3.962) 3.962 97.986 ( 0.000 0.000 -0.753) 0.753 97.986 ( 0.000 -0.000 0.753) 0.753 97.991 ( 0.000 0.000 0.000) 0.000 97.991 ( 0.000 0.000 0.000) 0.000 98.165 ( -0.000 0.000 -1.015) 1.015 98.165 ( 0.000 0.000 1.015) 1.015 98.270 ( 0.000 0.000 0.000) 0.000 98.270 ( 0.000 0.000 0.000) 0.000 98.283 ( -0.000 0.000 0.000) 0.000 98.283 ( 0.000 0.000 0.000) 0.000 98.311 ( -0.000 0.000 -0.280) 0.280 98.311 ( 0.000 0.000 0.280) 0.280 100.785 ( -0.000 0.000 -0.668) 0.668 100.785 ( -0.000 0.000 0.668) 0.668 100.800 ( -0.000 -0.000 0.000) 0.000 100.800 ( 0.000 0.000 0.000) 0.000 100.941 ( 0.000 0.000 -0.200) 0.200 100.941 ( 0.000 0.000 0.200) 0.200 100.979 ( -0.000 0.000 0.000) 0.000 100.979 ( 0.000 0.000 0.000) 0.000 100.998 ( -0.000 -0.000 0.000) 0.000 100.998 ( 0.000 0.000 0.000) 0.000 101.021 ( -0.000 0.000 -0.244) 0.244 101.021 ( -0.000 0.000 0.244) 0.244 ======================= Grid point 100 (28/39) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 9.784 -0.516 0.000) 9.798 1.089 ( 13.558 4.466 0.000) 14.275 1.213 ( 17.124 -4.940 0.000) 17.822 1.295 ( 22.638 0.864 -0.000) 22.655 1.606 ( 2.261 1.152 -0.000) 2.538 1.664 ( 7.750 0.275 0.000) 7.755 2.126 ( -1.552 0.408 0.000) 1.605 2.152 ( -1.114 -1.258 0.000) 1.680 2.234 ( -5.115 -2.370 0.000) 5.638 2.296 ( -0.294 -0.724 0.000) 0.781 2.342 ( 0.824 -2.466 -0.000) 2.600 2.366 ( 3.775 5.591 0.000) 6.746 2.533 ( -3.748 3.194 0.000) 4.924 2.589 ( 2.132 -3.543 0.000) 4.135 2.833 ( 1.553 3.371 0.000) 3.712 2.865 ( 1.982 -5.944 0.000) 6.266 2.932 ( -1.491 3.251 0.000) 3.577 2.999 ( 3.303 0.312 0.000) 3.318 3.217 ( -3.712 0.496 0.000) 3.745 3.272 ( -0.568 -0.739 0.000) 0.933 3.339 ( -5.687 2.684 0.000) 6.289 3.373 ( -2.291 -2.672 0.000) 3.520 3.441 ( -2.595 -3.757 0.000) 4.566 3.481 ( -3.013 0.544 0.000) 3.062 3.574 ( -0.802 0.087 0.000) 0.806 3.629 ( -6.873 3.493 0.000) 7.710 3.638 ( 2.644 -1.104 0.000) 2.866 3.756 ( -4.205 -10.000 -0.000) 10.849 3.767 ( -0.434 -2.295 0.000) 2.336 3.800 ( 1.946 3.069 0.000) 3.634 3.954 ( -0.940 8.322 -0.000) 8.375 4.010 ( 0.762 -1.871 0.000) 2.020 4.100 ( 1.893 0.515 0.000) 1.962 4.146 ( 3.202 1.810 0.000) 3.678 4.224 ( -3.982 4.827 0.000) 6.258 4.276 ( -0.372 -2.810 0.000) 2.835 4.330 ( -0.503 -0.405 0.000) 0.646 4.415 ( -1.653 3.032 0.000) 3.453 4.541 ( 5.411 6.633 0.000) 8.560 4.608 ( 12.111 -9.685 0.000) 15.508 4.747 ( -1.769 -3.957 0.000) 4.334 4.810 ( -0.385 5.150 0.000) 5.164 5.020 ( -1.254 -0.298 0.000) 1.289 5.098 ( 6.204 0.739 0.000) 6.248 5.151 ( -1.794 1.136 0.000) 2.124 5.163 ( 0.019 -6.104 0.000) 6.104 5.218 ( 2.962 -1.922 -0.000) 3.531 5.266 ( 4.956 4.395 -0.000) 6.624 5.350 ( -0.913 -3.925 0.000) 4.030 5.394 ( 3.664 4.793 0.000) 6.033 5.901 ( -1.449 0.962 -0.000) 1.739 5.930 ( 0.732 -1.585 0.000) 1.745 6.006 ( -6.460 -4.671 0.000) 7.972 6.086 ( -1.643 5.036 0.000) 5.297 6.318 ( -2.878 2.212 0.000) 3.630 6.320 ( -1.982 -2.197 -0.000) 2.959 6.612 ( -0.724 -0.678 0.000) 0.992 6.777 ( 11.767 0.308 0.000) 11.771 6.843 ( -5.398 -1.141 0.000) 5.517 6.975 ( 6.721 1.159 0.000) 6.820 7.251 ( -4.790 -0.166 0.000) 4.793 7.309 ( 0.024 0.485 0.000) 0.485 7.878 ( -4.166 1.068 0.000) 4.301 7.938 ( -0.873 -2.379 0.000) 2.534 8.011 ( -2.258 0.461 0.000) 2.304 8.066 ( 2.932 2.511 0.000) 3.861 8.198 ( 1.587 -1.061 0.000) 1.909 8.303 ( 8.219 -1.163 0.000) 8.301 8.592 ( 0.329 -0.613 0.000) 0.696 8.645 ( 4.544 0.433 0.000) 4.564 8.947 ( -10.324 -2.838 0.000) 10.707 8.952 ( -6.164 1.033 0.000) 6.250 9.292 ( -7.003 7.577 0.000) 10.318 9.433 ( -1.348 1.895 0.000) 2.325 9.436 ( -3.176 -10.167 -0.000) 10.652 9.579 ( 9.994 3.712 0.000) 10.661 10.038 ( -1.307 -2.551 0.000) 2.866 10.131 ( 5.574 2.443 0.000) 6.086 10.214 ( -1.652 0.038 0.000) 1.652 10.267 ( 2.131 -0.427 0.000) 2.173 10.800 ( -0.345 -0.639 0.000) 0.726 10.819 ( 1.410 0.514 0.000) 1.501 11.393 ( -10.670 -4.224 0.000) 11.476 11.417 ( -8.068 3.832 0.000) 8.932 11.488 ( -5.923 3.482 0.000) 6.871 11.498 ( -2.357 -1.994 -0.000) 3.088 12.147 ( 1.948 -0.153 0.000) 1.954 12.169 ( 2.045 -0.630 0.000) 2.140 12.689 ( 4.384 -3.582 0.000) 5.661 12.710 ( 5.171 2.738 0.000) 5.852 13.542 ( -0.074 -2.932 0.000) 2.933 13.590 ( 3.788 2.743 0.000) 4.677 14.180 ( -6.351 1.689 0.000) 6.572 14.268 ( 0.679 -2.112 0.000) 2.218 14.731 ( 0.709 2.235 0.000) 2.345 14.862 ( 10.652 -1.441 0.000) 10.749 15.808 ( -7.844 1.483 0.000) 7.983 15.860 ( -3.568 -0.092 0.000) 3.569 15.888 ( -2.481 2.174 0.000) 3.299 15.892 ( -0.286 -2.831 -0.000) 2.845 16.020 ( -1.293 -2.955 0.000) 3.225 16.109 ( -2.331 1.623 -0.000) 2.840 16.121 ( 4.462 1.145 0.000) 4.607 16.169 ( 2.221 -0.584 0.000) 2.297 16.724 ( 0.548 0.877 -0.000) 1.034 16.727 ( 0.868 -0.850 0.000) 1.215 17.320 ( -5.046 0.439 0.000) 5.065 17.331 ( -4.109 -0.425 0.000) 4.130 43.702 ( -0.963 0.069 0.000) 0.965 43.709 ( -0.316 -0.071 -0.000) 0.324 44.131 ( 0.576 0.231 0.000) 0.620 44.136 ( 0.813 -0.103 0.000) 0.819 44.174 ( 0.119 0.016 0.000) 0.120 44.189 ( 1.757 -0.126 0.000) 1.762 44.374 ( -1.296 0.372 0.000) 1.349 44.413 ( 0.472 -2.340 0.000) 2.387 44.422 ( 0.594 2.118 0.000) 2.199 44.468 ( 3.249 -0.162 0.000) 3.253 45.125 ( -2.025 -0.055 0.000) 2.026 45.130 ( -1.495 0.053 -0.000) 1.496 97.979 ( -0.449 -0.056 0.000) 0.452 97.987 ( 0.078 0.233 0.000) 0.246 97.993 ( 0.106 -0.245 0.000) 0.267 97.997 ( 0.317 0.065 0.000) 0.324 98.165 ( -0.008 -0.015 0.000) 0.017 98.167 ( 0.202 0.017 -0.000) 0.202 98.262 ( -0.706 -0.033 0.000) 0.706 98.274 ( -0.097 0.192 0.000) 0.215 98.275 ( -0.222 0.100 0.000) 0.244 98.294 ( 0.949 -0.414 0.000) 1.035 98.318 ( 0.495 -0.362 -0.000) 0.613 98.320 ( 0.645 0.515 0.000) 0.826 100.782 ( -0.188 0.077 -0.000) 0.203 100.785 ( 0.038 -0.099 0.000) 0.106 100.799 ( -0.042 0.094 0.000) 0.103 100.801 ( 0.153 -0.072 0.000) 0.169 100.942 ( 0.095 -0.006 -0.000) 0.095 100.942 ( 0.114 0.005 0.000) 0.114 100.978 ( -0.041 -0.042 0.000) 0.059 100.979 ( 0.028 0.049 0.000) 0.057 100.994 ( -0.326 -0.019 0.000) 0.327 100.997 ( -0.026 0.019 0.000) 0.033 101.020 ( -0.062 0.040 -0.000) 0.074 101.023 ( 0.135 -0.041 0.000) 0.141 ======================= Grid point 102 (29/39) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 12.976 2.014 0.000) 13.131 1.358 ( 12.720 0.276 -0.000) 12.723 1.532 ( 10.610 -3.981 0.000) 11.332 1.597 ( 4.652 -0.269 -0.000) 4.660 1.852 ( 16.949 0.108 0.000) 16.950 1.928 ( 14.567 8.037 0.000) 16.637 2.119 ( -2.042 -1.764 0.000) 2.698 2.136 ( 0.331 -1.393 0.000) 1.432 2.142 ( 0.391 1.710 0.000) 1.755 2.239 ( 0.461 -2.744 0.000) 2.782 2.339 ( -1.348 -2.407 0.000) 2.758 2.488 ( -1.519 4.023 0.000) 4.301 2.515 ( 9.722 1.109 0.000) 9.785 2.701 ( 7.117 -2.532 0.000) 7.554 2.770 ( -3.620 0.085 -0.000) 3.621 2.862 ( 2.279 -3.205 0.000) 3.933 3.025 ( 5.204 -3.421 0.000) 6.228 3.061 ( 2.029 5.851 0.000) 6.192 3.109 ( -6.244 -0.706 0.000) 6.284 3.187 ( -6.404 -0.983 0.000) 6.479 3.257 ( -4.004 4.065 0.000) 5.706 3.368 ( -0.388 -1.591 0.000) 1.637 3.377 ( -3.209 -4.905 0.000) 5.862 3.382 ( -4.760 -2.666 0.000) 5.455 3.543 ( -3.024 1.225 0.000) 3.262 3.553 ( -1.057 -1.155 -0.000) 1.565 3.634 ( -3.679 0.784 0.000) 3.762 3.693 ( -1.060 -4.398 0.000) 4.524 3.781 ( 1.777 -2.940 0.000) 3.436 3.855 ( -2.051 5.460 0.000) 5.832 3.918 ( 0.847 0.345 -0.000) 0.914 4.005 ( -0.906 -3.555 0.000) 3.668 4.030 ( -7.056 5.616 0.000) 9.018 4.169 ( -0.455 3.625 0.000) 3.653 4.237 ( 4.157 4.009 0.000) 5.775 4.316 ( -3.676 0.459 0.000) 3.704 4.349 ( 4.021 -2.376 0.000) 4.670 4.352 ( 2.841 -1.425 -0.000) 3.179 4.600 ( 0.399 6.876 0.000) 6.888 4.658 ( 0.852 -3.558 0.000) 3.659 4.814 ( 1.091 4.076 0.000) 4.219 4.870 ( 5.688 -1.106 0.000) 5.795 4.964 ( -3.901 -1.860 0.000) 4.322 5.052 ( -6.255 2.394 0.000) 6.697 5.066 ( -4.784 -4.330 0.000) 6.452 5.262 ( 5.328 -3.679 0.000) 6.474 5.316 ( 1.533 1.003 0.000) 1.832 5.360 ( 10.456 1.581 0.000) 10.575 5.372 ( 1.575 -2.241 0.000) 2.739 5.569 ( 9.767 3.918 0.000) 10.524 5.819 ( -5.291 1.068 0.000) 5.398 5.922 ( -0.932 -3.173 -0.000) 3.307 5.937 ( -1.067 -4.203 0.000) 4.336 6.038 ( -3.199 1.562 0.000) 3.560 6.240 ( -4.292 3.116 0.000) 5.304 6.288 ( -1.574 -0.236 0.000) 1.592 6.568 ( -4.035 2.748 0.000) 4.882 6.722 ( -4.698 -4.470 0.000) 6.485 6.993 ( 8.637 -3.101 0.000) 9.177 7.126 ( 6.238 4.985 0.000) 7.985 7.149 ( -4.474 -0.064 0.000) 4.474 7.307 ( 0.054 1.198 0.000) 1.199 7.821 ( -1.630 0.779 0.000) 1.807 7.948 ( -3.233 1.941 0.000) 3.771 7.954 ( 2.618 -2.846 0.000) 3.867 8.100 ( 0.612 1.366 0.000) 1.497 8.256 ( 3.442 -0.802 0.000) 3.534 8.449 ( 5.818 -2.923 0.000) 6.511 8.586 ( -2.441 -1.336 0.000) 2.783 8.660 ( -13.358 -3.811 0.000) 13.891 8.720 ( 1.901 0.629 0.000) 2.003 8.826 ( -5.704 2.672 0.000) 6.299 9.219 ( -1.479 12.039 -0.000) 12.129 9.386 ( -1.340 -12.791 0.000) 12.861 9.402 ( -0.950 4.412 0.000) 4.513 9.790 ( 8.920 -0.725 0.000) 8.950 10.010 ( -0.317 0.631 0.000) 0.706 10.190 ( -0.872 -1.553 -0.000) 1.781 10.227 ( 3.522 2.113 0.000) 4.107 10.303 ( 1.206 -0.214 -0.000) 1.224 10.792 ( -0.321 -0.899 0.000) 0.955 10.857 ( 2.182 0.465 0.000) 2.231 11.159 ( -9.667 -4.616 0.000) 10.712 11.168 ( -11.190 5.755 0.000) 12.583 11.466 ( 0.026 -0.204 0.000) 0.205 11.510 ( 1.393 0.047 0.000) 1.393 12.190 ( 0.240 -0.795 -0.000) 0.830 12.194 ( 2.369 0.131 0.000) 2.372 12.784 ( 4.483 -2.873 0.000) 5.325 12.800 ( 3.571 1.233 0.000) 3.778 13.522 ( -1.693 -2.719 0.000) 3.203 13.648 ( 1.587 2.012 0.000) 2.563 14.047 ( -6.042 1.510 0.000) 6.227 14.287 ( 1.069 -1.852 0.000) 2.138 14.785 ( 4.546 2.552 0.000) 5.214 15.107 ( 12.624 -1.229 0.000) 12.684 15.619 ( -9.486 1.170 0.000) 9.558 15.777 ( -5.045 1.136 0.000) 5.171 15.847 ( -1.771 0.536 0.000) 1.850 15.891 ( -0.068 -4.576 0.000) 4.577 15.993 ( -1.192 -1.742 0.000) 2.111 16.051 ( -2.959 3.706 -0.000) 4.742 16.181 ( 1.502 0.194 0.000) 1.514 16.206 ( 1.328 -0.349 0.000) 1.373 16.742 ( 1.117 1.386 0.000) 1.780 16.762 ( 2.618 -1.519 0.000) 3.027 17.207 ( -5.490 0.946 0.000) 5.571 17.238 ( -4.457 -0.771 0.000) 4.523 43.680 ( -0.977 0.076 0.000) 0.980 43.702 ( -0.330 -0.082 0.000) 0.340 44.140 ( 0.229 0.301 -0.000) 0.378 44.146 ( 0.195 0.007 0.000) 0.195 44.178 ( 0.337 -0.069 0.000) 0.344 44.240 ( 2.789 -0.203 0.000) 2.796 44.354 ( -0.677 0.280 0.000) 0.733 44.417 ( 0.064 -0.985 0.000) 0.987 44.438 ( 0.654 0.752 0.000) 0.996 44.541 ( 3.630 -0.067 0.000) 3.630 45.072 ( -2.914 -0.071 0.000) 2.914 45.093 ( -1.897 0.063 -0.000) 1.898 97.970 ( -0.350 -0.050 0.000) 0.353 97.989 ( 0.125 0.452 0.000) 0.469 97.995 ( 0.070 -0.462 0.000) 0.467 98.002 ( 0.186 0.050 0.000) 0.193 98.165 ( -0.005 -0.020 0.000) 0.021 98.173 ( 0.282 0.021 -0.000) 0.283 98.247 ( -0.623 0.001 0.000) 0.623 98.261 ( -0.591 0.127 0.000) 0.605 98.281 ( 0.256 0.097 0.000) 0.274 98.312 ( 0.711 -0.607 0.000) 0.935 98.328 ( 0.393 -0.288 -0.000) 0.487 98.332 ( 0.434 0.668 0.000) 0.797 100.778 ( -0.173 0.068 0.000) 0.186 100.786 ( 0.123 -0.151 0.000) 0.195 100.798 ( -0.118 0.148 0.000) 0.190 100.805 ( 0.143 -0.065 0.000) 0.157 100.945 ( 0.138 -0.012 0.000) 0.138 100.945 ( 0.170 0.005 0.000) 0.170 100.977 ( -0.124 -0.025 0.000) 0.127 100.980 ( 0.022 0.056 0.000) 0.060 100.987 ( -0.331 -0.024 0.000) 0.332 100.997 ( -0.029 0.022 0.000) 0.037 101.019 ( -0.015 0.028 0.000) 0.032 101.025 ( 0.121 -0.036 0.000) 0.126 ======================= Grid point 104 (30/39) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 11.484 1.888 0.000) 11.638 1.582 ( 8.233 0.091 -0.000) 8.233 1.658 ( 1.986 -3.246 0.000) 3.806 1.662 ( 0.970 0.284 -0.000) 1.010 1.877 ( -5.278 -3.878 0.000) 6.549 2.016 ( -4.444 2.569 0.000) 5.134 2.053 ( -3.531 0.298 0.000) 3.543 2.158 ( 5.556 6.337 0.000) 8.428 2.300 ( 1.294 1.064 0.000) 1.675 2.328 ( -0.461 -1.720 0.000) 1.781 2.421 ( 12.421 1.348 0.000) 12.493 2.486 ( 2.252 0.514 0.000) 2.310 2.750 ( 7.495 -1.691 0.000) 7.684 2.802 ( 8.788 0.857 0.000) 8.830 2.814 ( 2.894 -1.290 0.000) 3.168 2.909 ( 0.204 -8.729 0.000) 8.731 2.985 ( -5.101 -0.660 0.000) 5.143 3.010 ( -4.046 6.178 -0.000) 7.385 3.075 ( -0.731 -2.377 0.000) 2.487 3.162 ( 4.334 -1.238 0.000) 4.508 3.202 ( -0.238 4.071 -0.000) 4.078 3.301 ( -5.244 1.011 0.000) 5.341 3.330 ( -0.972 -4.317 -0.000) 4.425 3.332 ( -1.390 -0.402 0.000) 1.447 3.420 ( -8.416 0.125 0.000) 8.417 3.528 ( -0.401 -0.901 0.000) 0.987 3.540 ( -3.374 0.966 -0.000) 3.510 3.677 ( -2.954 -0.774 0.000) 3.054 3.794 ( 1.853 -2.179 0.000) 2.861 3.834 ( 2.489 -0.509 0.000) 2.540 3.893 ( -6.164 5.637 0.000) 8.353 3.959 ( 1.211 0.594 0.000) 1.349 4.007 ( 2.059 -4.537 0.000) 4.982 4.100 ( -5.896 3.912 0.000) 7.076 4.275 ( 0.680 0.024 -0.000) 0.681 4.315 ( 2.586 2.842 0.000) 3.842 4.422 ( 2.711 -2.425 0.000) 3.638 4.452 ( 3.251 -0.836 0.000) 3.357 4.583 ( -1.164 3.350 0.000) 3.547 4.700 ( 2.530 -2.224 0.000) 3.368 4.844 ( 1.176 1.282 0.000) 1.740 4.846 ( -4.232 4.369 -0.000) 6.083 4.929 ( -1.853 -0.886 0.000) 2.054 4.984 ( 0.547 -1.631 -0.000) 1.720 5.000 ( -1.496 -1.105 -0.000) 1.860 5.309 ( -0.239 -3.662 0.000) 3.670 5.345 ( 1.046 0.200 0.000) 1.065 5.401 ( 1.617 0.220 0.000) 1.632 5.565 ( 7.050 3.004 0.000) 7.664 5.706 ( 0.993 1.484 0.000) 1.786 5.751 ( 1.024 -0.201 0.000) 1.043 5.898 ( -1.838 -0.444 -0.000) 1.890 5.921 ( -0.564 -1.397 0.000) 1.506 5.995 ( 0.345 -4.459 0.000) 4.472 6.164 ( -2.491 1.598 0.000) 2.959 6.215 ( -4.834 2.519 0.000) 5.451 6.499 ( -1.335 1.646 0.000) 2.119 6.669 ( -1.111 -2.738 0.000) 2.955 7.084 ( -1.631 0.077 -0.000) 1.633 7.121 ( 3.543 -6.087 0.000) 7.043 7.191 ( 0.743 7.564 0.000) 7.601 7.321 ( 0.793 0.348 0.000) 0.866 7.802 ( -0.408 0.307 0.000) 0.511 7.897 ( -1.436 1.062 0.000) 1.786 8.038 ( 4.572 -2.161 0.000) 5.057 8.105 ( 0.044 0.675 0.000) 0.676 8.308 ( 1.047 0.951 0.000) 1.414 8.377 ( -8.688 -2.886 0.000) 9.154 8.545 ( 3.550 -3.372 0.000) 4.896 8.594 ( -0.417 -0.052 0.000) 0.420 8.680 ( -4.109 4.198 0.000) 5.874 8.776 ( 0.118 -0.526 0.000) 0.539 9.200 ( -0.469 4.842 -0.000) 4.864 9.378 ( 0.097 -5.146 0.000) 5.147 9.396 ( 0.009 1.730 0.000) 1.730 9.894 ( 1.541 -2.003 0.000) 2.528 10.061 ( 4.324 3.239 0.000) 5.402 10.160 ( -2.329 -2.089 0.000) 3.129 10.273 ( 1.092 0.784 0.000) 1.344 10.317 ( 0.281 -0.013 -0.000) 0.281 10.790 ( 0.148 -0.523 0.000) 0.543 10.905 ( 2.446 0.496 0.000) 2.496 11.004 ( -4.435 2.109 0.000) 4.911 11.011 ( -4.820 -2.007 -0.000) 5.221 11.467 ( 0.059 -0.139 0.000) 0.151 11.533 ( 0.702 0.089 0.000) 0.707 12.189 ( -0.153 -0.305 -0.000) 0.341 12.232 ( 1.046 0.098 0.000) 1.051 12.854 ( 1.498 0.269 -0.000) 1.522 12.855 ( 1.997 -1.042 0.000) 2.252 13.489 ( -1.090 -0.982 0.000) 1.467 13.663 ( 0.231 0.532 0.000) 0.579 13.954 ( -2.577 0.648 0.000) 2.657 14.304 ( 0.465 -0.624 0.000) 0.779 14.887 ( 3.911 1.165 0.000) 4.081 15.357 ( 10.936 -1.031 0.000) 10.984 15.456 ( -5.293 0.123 0.000) 5.294 15.633 ( -8.363 1.402 0.000) 8.480 15.820 ( -0.736 0.123 0.000) 0.746 15.897 ( 0.484 -3.718 0.000) 3.750 15.975 ( -0.460 -0.540 0.000) 0.709 16.002 ( -1.526 3.286 -0.000) 3.623 16.195 ( 0.177 -0.066 -0.000) 0.189 16.223 ( 0.403 -0.112 0.000) 0.418 16.763 ( 0.649 0.729 0.000) 0.976 16.819 ( 2.200 -1.031 0.000) 2.429 17.115 ( -2.919 0.751 0.000) 3.014 17.168 ( -1.998 -0.453 0.000) 2.048 43.666 ( -0.379 0.031 0.000) 0.381 43.697 ( -0.127 -0.034 0.000) 0.132 44.141 ( -0.021 0.117 -0.000) 0.119 44.147 ( 0.020 0.018 0.000) 0.027 44.185 ( 0.209 -0.032 0.000) 0.211 44.285 ( 1.297 -0.090 0.000) 1.300 44.345 ( -0.210 0.103 0.000) 0.234 44.418 ( 0.016 -0.271 0.000) 0.272 44.447 ( 0.205 0.180 0.000) 0.273 44.602 ( 1.866 -0.015 0.000) 1.866 45.021 ( -1.611 -0.035 0.000) 1.612 45.063 ( -0.897 0.028 0.000) 0.897 97.965 ( -0.130 -0.020 0.000) 0.132 97.991 ( 0.068 0.299 0.000) 0.307 97.996 ( 0.015 -0.303 0.000) 0.303 98.005 ( 0.058 0.018 0.000) 0.060 98.165 ( -0.000 -0.010 0.000) 0.010 98.177 ( 0.143 0.010 -0.000) 0.143 98.238 ( -0.238 0.005 0.000) 0.238 98.252 ( -0.246 0.042 0.000) 0.250 98.284 ( 0.090 0.036 0.000) 0.097 98.322 ( 0.236 -0.304 0.000) 0.385 98.333 ( 0.142 -0.102 -0.000) 0.175 98.337 ( 0.133 0.322 0.000) 0.349 100.776 ( -0.066 0.026 0.000) 0.071 100.789 ( 0.129 -0.130 0.000) 0.183 100.795 ( -0.125 0.130 0.000) 0.180 100.807 ( 0.055 -0.025 0.000) 0.061 100.947 ( 0.073 -0.007 0.000) 0.073 100.948 ( 0.093 0.002 0.000) 0.093 100.974 ( -0.076 -0.004 0.000) 0.076 100.980 ( -0.021 0.029 0.000) 0.036 100.982 ( -0.119 -0.016 0.000) 0.120 100.996 ( -0.011 0.009 0.000) 0.014 101.019 ( 0.003 0.008 0.000) 0.008 101.027 ( 0.046 -0.013 0.000) 0.048 ======================= Grid point 114 (31/39) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 10.336 13.493 -0.000) 16.996 1.195 ( 11.821 3.474 0.000) 12.321 1.389 ( 9.417 20.168 0.000) 22.259 1.422 ( 14.668 10.872 -0.000) 18.258 1.679 ( 10.375 2.052 -0.000) 10.576 1.680 ( 3.245 5.449 0.000) 6.342 2.127 ( -1.750 -1.023 -0.000) 2.027 2.150 ( -0.526 1.523 0.000) 1.611 2.197 ( -5.129 0.839 0.000) 5.197 2.281 ( 1.542 -1.584 0.000) 2.211 2.325 ( -0.612 0.750 0.000) 0.968 2.408 ( 3.449 -0.200 0.000) 3.455 2.532 ( 3.799 -1.613 0.000) 4.127 2.632 ( -0.738 5.475 0.000) 5.525 2.803 ( 1.096 0.163 -0.000) 1.108 2.852 ( -4.092 -3.861 0.000) 5.626 2.962 ( -3.018 -0.546 0.000) 3.067 3.014 ( 6.964 3.228 0.000) 7.675 3.219 ( -0.533 -3.817 0.000) 3.854 3.224 ( -4.766 -1.186 0.000) 4.911 3.312 ( 0.037 -3.485 0.000) 3.485 3.380 ( -5.778 1.098 0.000) 5.881 3.404 ( -2.272 0.522 0.000) 2.332 3.432 ( -4.813 -3.497 0.000) 5.949 3.579 ( -0.930 0.051 0.000) 0.931 3.606 ( 2.655 -1.333 0.000) 2.971 3.649 ( 0.677 -0.156 0.000) 0.695 3.662 ( -6.384 0.752 0.000) 6.429 3.786 ( -1.202 3.257 0.000) 3.472 3.847 ( 4.758 1.810 0.000) 5.091 3.979 ( 3.703 -2.309 0.000) 4.364 4.036 ( -2.504 2.688 0.000) 3.674 4.129 ( 3.287 -0.310 0.000) 3.301 4.148 ( 3.022 -0.809 0.000) 3.128 4.186 ( 0.433 -5.506 0.000) 5.523 4.295 ( -1.121 0.683 0.000) 1.313 4.343 ( -2.935 1.436 0.000) 3.268 4.432 ( 10.160 -5.360 0.000) 11.487 4.473 ( -3.126 2.352 0.000) 3.912 4.702 ( -2.985 -0.457 0.000) 3.020 4.742 ( 2.299 6.323 0.000) 6.728 4.846 ( 4.610 -1.980 0.000) 5.017 5.093 ( -0.127 6.583 -0.000) 6.585 5.096 ( 3.281 -1.417 0.000) 3.574 5.147 ( -1.510 0.703 0.000) 1.666 5.199 ( 3.204 6.775 -0.000) 7.495 5.211 ( -0.863 4.552 0.000) 4.633 5.301 ( 3.072 -1.983 0.000) 3.657 5.318 ( -0.326 0.818 -0.000) 0.880 5.466 ( 7.554 2.564 0.000) 7.977 5.861 ( -2.687 -4.585 0.000) 5.315 5.918 ( -5.078 0.099 0.000) 5.079 5.934 ( -4.739 -1.193 -0.000) 4.887 6.094 ( 1.940 -2.946 0.000) 3.527 6.235 ( -4.570 -5.207 0.000) 6.928 6.325 ( -1.518 -1.337 0.000) 2.023 6.707 ( 6.857 -6.173 0.000) 9.226 6.714 ( -4.167 8.855 -0.000) 9.787 6.912 ( -5.211 6.609 0.000) 8.416 6.962 ( 9.197 -2.397 0.000) 9.505 7.252 ( -4.520 0.068 0.000) 4.521 7.265 ( 1.211 -4.351 0.000) 4.516 7.838 ( -1.502 -4.435 0.000) 4.683 7.880 ( -3.779 0.393 0.000) 3.800 8.071 ( 5.022 -3.634 0.000) 6.199 8.087 ( -0.125 5.435 0.000) 5.436 8.276 ( 5.798 -1.241 0.000) 5.929 8.312 ( -0.467 10.143 0.000) 10.154 8.630 ( -1.129 3.423 0.000) 3.604 8.644 ( 3.401 -0.609 0.000) 3.455 8.837 ( -11.343 -6.618 0.000) 13.133 8.931 ( -3.308 -3.172 0.000) 4.583 9.224 ( 0.125 -15.901 0.000) 15.901 9.249 ( -8.248 -6.319 0.000) 10.390 9.532 ( -2.419 13.195 0.000) 13.415 9.666 ( 11.220 1.779 0.000) 11.360 10.077 ( -2.344 4.877 0.000) 5.411 10.148 ( 6.097 -1.675 0.000) 6.322 10.245 ( 2.437 -0.516 0.000) 2.491 10.248 ( -1.930 2.464 -0.000) 3.130 10.802 ( -1.001 0.983 0.000) 1.403 10.821 ( 1.334 -0.265 0.000) 1.360 11.220 ( -10.739 -10.224 0.000) 14.828 11.386 ( -4.499 -6.447 0.000) 7.862 11.482 ( 1.243 0.016 0.000) 1.243 11.503 ( -1.889 -1.100 0.000) 2.186 12.174 ( 1.550 1.220 0.000) 1.972 12.192 ( 1.474 3.027 0.000) 3.367 12.689 ( 1.328 3.704 0.000) 3.935 12.774 ( 3.665 3.312 0.000) 4.940 13.538 ( -2.112 2.109 0.000) 2.984 13.625 ( 3.630 0.040 0.000) 3.630 14.173 ( 1.165 -5.899 0.000) 6.013 14.228 ( -5.093 2.663 0.000) 5.748 14.823 ( 9.960 -1.499 0.000) 10.072 14.878 ( 0.790 10.540 0.000) 10.570 15.759 ( -1.985 -7.287 0.000) 7.552 15.801 ( -5.903 -2.206 -0.000) 6.302 15.871 ( -0.575 -0.783 0.000) 0.971 15.915 ( -0.923 0.206 0.000) 0.945 16.018 ( -4.777 1.978 0.000) 5.170 16.086 ( 2.817 -2.794 0.000) 3.968 16.137 ( 1.690 -1.952 -0.000) 2.581 16.158 ( -1.484 1.718 0.000) 2.270 16.712 ( -0.150 -0.446 0.000) 0.470 16.747 ( 1.190 1.493 0.000) 1.909 17.272 ( -3.850 -4.828 0.000) 6.175 17.291 ( -3.839 -2.939 0.000) 4.834 43.697 ( -0.322 -0.966 0.000) 1.018 43.700 ( -0.897 -0.247 -0.000) 0.930 44.142 ( 0.915 0.600 0.000) 1.094 44.146 ( 0.791 0.710 0.000) 1.063 44.185 ( 1.383 -0.197 0.000) 1.397 44.188 ( -0.194 1.740 0.000) 1.751 44.376 ( 0.442 -1.333 0.000) 1.405 44.387 ( -1.341 0.736 0.000) 1.530 44.471 ( 3.234 0.331 0.000) 3.251 44.475 ( 0.423 3.053 0.000) 3.082 45.109 ( -1.982 -1.449 0.000) 2.456 45.110 ( -1.388 -1.914 -0.000) 2.365 97.978 ( -0.452 0.006 0.000) 0.452 97.981 ( 0.163 -0.467 -0.000) 0.495 97.997 ( 0.003 0.318 0.000) 0.318 98.000 ( 0.299 0.165 0.000) 0.342 98.167 ( -0.008 0.201 0.000) 0.201 98.168 ( 0.222 0.011 -0.000) 0.222 98.264 ( -0.759 0.182 0.000) 0.781 98.265 ( 0.220 -0.815 0.000) 0.844 98.279 ( 0.548 -0.845 0.000) 1.007 98.286 ( -0.916 0.757 0.000) 1.188 98.324 ( 0.618 0.730 0.000) 0.956 98.334 ( 0.932 0.637 0.000) 1.129 100.781 ( 0.018 -0.185 -0.000) 0.185 100.784 ( -0.132 0.135 0.000) 0.189 100.799 ( 0.103 -0.133 0.000) 0.168 100.802 ( -0.017 0.154 0.000) 0.155 100.943 ( 0.090 0.111 -0.000) 0.143 100.944 ( 0.118 0.101 0.000) 0.155 100.978 ( -0.068 -0.013 0.000) 0.070 100.979 ( 0.026 -0.053 0.000) 0.059 100.993 ( -0.331 -0.030 0.000) 0.332 100.994 ( -0.011 -0.312 0.000) 0.313 101.022 ( 0.158 -0.037 -0.000) 0.163 101.023 ( -0.019 0.182 0.000) 0.183 ======================= Grid point 116 (32/39) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 10.701 10.577 0.000) 15.046 1.411 ( 9.965 1.747 -0.000) 10.117 1.571 ( 7.034 9.065 -0.000) 11.473 1.648 ( 6.704 5.739 0.000) 8.825 1.819 ( 3.409 -3.133 0.000) 4.630 2.048 ( 19.640 -0.526 -0.000) 19.647 2.117 ( 7.978 1.379 0.000) 8.096 2.179 ( 5.127 7.916 0.000) 9.431 2.195 ( 1.865 6.293 0.000) 6.564 2.257 ( -3.842 2.086 0.000) 4.372 2.312 ( 0.494 0.832 -0.000) 0.968 2.477 ( 3.523 -1.474 0.000) 3.819 2.565 ( -4.821 0.302 0.000) 4.831 2.642 ( 4.456 -2.916 0.000) 5.325 2.775 ( -2.009 -5.136 -0.000) 5.515 2.807 ( -0.092 3.631 0.000) 3.632 2.972 ( 3.756 -2.879 0.000) 4.733 3.092 ( -7.177 -1.190 0.000) 7.275 3.115 ( 0.088 -0.156 0.000) 0.179 3.150 ( -2.307 -1.675 0.000) 2.851 3.248 ( -6.274 -3.238 -0.000) 7.060 3.290 ( -1.647 -4.204 0.000) 4.515 3.379 ( -0.592 5.098 0.000) 5.132 3.391 ( -0.152 1.473 -0.000) 1.481 3.548 ( -1.968 0.890 0.000) 2.160 3.581 ( -3.963 1.708 0.000) 4.315 3.636 ( -0.425 -0.349 0.000) 0.550 3.670 ( 1.583 1.546 0.000) 2.212 3.799 ( 2.686 3.652 0.000) 4.533 3.919 ( -5.135 2.043 0.000) 5.526 3.951 ( 1.158 2.193 -0.000) 2.480 3.965 ( -2.250 0.455 0.000) 2.296 4.154 ( -2.609 4.225 -0.000) 4.965 4.211 ( 1.191 0.439 0.000) 1.270 4.247 ( 5.093 -6.347 0.000) 8.138 4.300 ( 2.306 1.564 0.000) 2.787 4.345 ( 3.649 0.936 0.000) 3.767 4.380 ( -3.585 4.550 0.000) 5.793 4.595 ( 4.806 -2.709 0.000) 5.517 4.725 ( -2.947 3.650 0.000) 4.691 4.751 ( 5.391 -4.840 0.000) 7.245 4.882 ( -0.876 0.100 0.000) 0.881 5.055 ( -3.327 4.746 -0.000) 5.796 5.075 ( -1.726 7.950 0.000) 8.135 5.128 ( -6.702 4.627 0.000) 8.144 5.178 ( 4.599 -2.690 0.000) 5.328 5.325 ( 0.203 -0.831 0.000) 0.856 5.333 ( 4.446 -0.841 0.000) 4.525 5.444 ( 11.804 4.380 0.000) 12.590 5.629 ( 7.487 1.821 0.000) 7.705 5.784 ( -5.151 -3.477 0.000) 6.215 5.812 ( -1.509 -6.068 -0.000) 6.252 5.907 ( -0.458 0.775 0.000) 0.900 5.995 ( -8.830 -4.765 0.000) 10.033 6.220 ( 0.643 -5.376 0.000) 5.414 6.262 ( -4.333 -1.100 0.000) 4.470 6.649 ( -2.276 4.900 0.000) 5.403 6.772 ( -7.325 7.202 0.000) 10.273 6.844 ( 5.827 -9.588 0.000) 11.220 7.154 ( 8.075 -2.077 0.000) 8.338 7.157 ( -4.082 0.788 -0.000) 4.158 7.290 ( 1.002 -3.289 0.000) 3.438 7.824 ( -1.990 0.699 0.000) 2.109 7.848 ( 2.799 -4.800 0.000) 5.556 8.043 ( -3.363 5.731 0.000) 6.645 8.179 ( 4.855 -2.319 0.000) 5.380 8.282 ( -2.309 8.807 0.000) 9.105 8.383 ( 4.079 -3.367 0.000) 5.289 8.525 ( -11.498 -4.747 0.000) 12.439 8.637 ( -2.812 1.813 0.000) 3.346 8.700 ( 2.175 -2.139 0.000) 3.051 8.853 ( -4.418 -0.182 0.000) 4.422 9.132 ( -4.587 -9.641 0.000) 10.677 9.236 ( 0.302 -16.128 0.000) 16.131 9.521 ( 1.647 14.871 0.000) 14.962 9.860 ( 7.083 4.306 0.000) 8.289 10.060 ( 1.269 3.615 0.000) 3.831 10.207 ( -1.831 2.556 -0.000) 3.144 10.243 ( 3.052 -1.598 0.000) 3.445 10.288 ( 1.391 -0.079 0.000) 1.393 10.783 ( -0.718 0.327 0.000) 0.789 10.853 ( 1.899 -0.815 0.000) 2.066 11.046 ( -6.199 -5.472 0.000) 8.269 11.215 ( -10.335 -1.901 0.000) 10.508 11.479 ( -0.351 1.308 0.000) 1.354 11.513 ( 1.500 0.190 0.000) 1.512 12.198 ( 0.764 1.518 0.000) 1.699 12.228 ( 1.924 2.788 0.000) 3.387 12.757 ( 4.626 1.062 0.000) 4.746 12.836 ( 2.575 2.229 0.000) 3.406 13.502 ( -1.459 0.628 0.000) 1.588 13.659 ( -0.087 -1.108 0.000) 1.111 14.109 ( -5.784 4.190 0.000) 7.142 14.220 ( 2.965 -4.109 0.000) 5.067 14.917 ( 3.064 9.433 0.000) 9.919 15.069 ( 12.999 -2.089 0.000) 13.165 15.628 ( -9.837 -0.736 0.000) 9.864 15.745 ( 0.209 -5.097 0.000) 5.102 15.820 ( -4.800 -1.089 0.000) 4.922 15.877 ( -2.159 2.001 0.000) 2.943 15.960 ( -1.286 -1.184 0.000) 1.748 16.117 ( -1.768 2.513 -0.000) 3.072 16.130 ( 0.963 -4.555 0.000) 4.655 16.171 ( 1.365 -2.869 0.000) 3.177 16.726 ( 1.705 -1.819 0.000) 2.494 16.770 ( 0.743 1.256 0.000) 1.459 17.186 ( -3.975 -4.014 0.000) 5.650 17.199 ( -4.679 -1.563 -0.000) 4.933 43.679 ( -0.967 -0.184 0.000) 0.984 43.691 ( -0.281 -0.913 -0.000) 0.955 44.152 ( 0.142 0.564 0.000) 0.582 44.163 ( 0.658 0.942 0.000) 1.149 44.182 ( -0.295 1.251 0.000) 1.285 44.232 ( 2.769 -0.475 0.000) 2.810 44.366 ( -0.773 0.765 0.000) 1.088 44.388 ( 0.634 -1.160 0.000) 1.322 44.482 ( 0.184 2.807 0.000) 2.813 44.542 ( 3.556 0.130 0.000) 3.558 45.056 ( -2.864 -1.362 0.000) 3.172 45.075 ( -1.868 -1.807 -0.000) 2.599 97.970 ( -0.327 0.021 0.000) 0.328 97.984 ( 0.111 -0.524 0.000) 0.536 97.997 ( 0.081 0.354 0.000) 0.363 98.004 ( 0.142 0.120 0.000) 0.185 98.167 ( 0.008 0.219 0.000) 0.219 98.173 ( 0.294 0.037 -0.000) 0.296 98.249 ( -0.643 0.105 0.000) 0.652 98.267 ( -0.584 0.077 0.000) 0.589 98.270 ( -0.030 -0.594 0.000) 0.594 98.291 ( 0.560 -1.130 0.000) 1.261 98.336 ( 0.529 0.875 0.000) 1.023 98.350 ( 0.527 0.782 0.000) 0.943 100.781 ( -0.187 0.170 -0.000) 0.253 100.783 ( 0.138 -0.151 0.000) 0.205 100.801 ( -0.129 0.128 0.000) 0.181 100.802 ( 0.157 -0.162 0.000) 0.225 100.946 ( 0.136 0.109 0.000) 0.174 100.947 ( 0.168 0.103 0.000) 0.197 100.976 ( -0.108 -0.030 0.000) 0.112 100.979 ( -0.002 -0.087 0.000) 0.087 100.986 ( -0.325 -0.015 0.000) 0.326 100.993 ( -0.026 -0.301 0.000) 0.303 101.022 ( -0.018 0.223 -0.000) 0.224 101.025 ( 0.154 0.006 0.000) 0.155 ======================= Grid point 118 (33/39) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 4.468 2.736 0.000) 5.239 1.603 ( 7.536 -0.832 -0.000) 7.582 1.683 ( 4.637 7.336 0.000) 8.678 1.762 ( 3.612 7.352 0.000) 8.191 1.815 ( 1.709 1.149 0.000) 2.059 2.111 ( -7.426 3.987 -0.000) 8.429 2.114 ( -3.371 4.724 0.000) 5.803 2.205 ( 1.887 -0.762 0.000) 2.035 2.282 ( -7.163 -0.287 0.000) 7.169 2.324 ( 0.704 1.200 -0.000) 1.391 2.413 ( 6.420 -1.968 0.000) 6.715 2.544 ( 3.135 1.341 0.000) 3.410 2.664 ( 0.937 -10.901 0.000) 10.941 2.678 ( 15.127 -2.192 0.000) 15.285 2.821 ( 0.243 0.915 -0.000) 0.947 2.835 ( 6.755 1.579 0.000) 6.937 2.963 ( -5.533 -0.198 0.000) 5.537 3.037 ( 2.893 -1.082 0.000) 3.088 3.057 ( -0.720 -1.980 0.000) 2.107 3.173 ( 0.104 2.271 0.000) 2.273 3.187 ( 2.722 -6.521 -0.000) 7.066 3.280 ( 0.455 -0.558 0.000) 0.720 3.344 ( -3.315 6.681 0.000) 7.458 3.355 ( -3.447 -0.310 -0.000) 3.461 3.434 ( -9.014 1.156 -0.000) 9.088 3.514 ( 0.060 -0.235 0.000) 0.242 3.636 ( 1.176 6.086 0.000) 6.199 3.721 ( 2.700 4.100 0.000) 4.909 3.769 ( -6.002 1.595 0.000) 6.210 3.884 ( 4.358 4.757 0.000) 6.451 3.933 ( -3.965 0.317 0.000) 3.978 3.956 ( 1.392 0.127 0.000) 1.398 4.124 ( -0.462 9.835 -0.000) 9.846 4.151 ( -5.108 -0.065 0.000) 5.108 4.310 ( -1.689 -1.725 0.000) 2.414 4.342 ( 3.305 5.497 0.000) 6.415 4.390 ( 2.527 -3.025 0.000) 3.942 4.448 ( 4.776 3.757 0.000) 6.076 4.649 ( -4.358 3.249 -0.000) 5.436 4.672 ( 3.135 -1.296 0.000) 3.392 4.801 ( -1.183 -3.315 0.000) 3.520 4.846 ( -2.464 -2.317 -0.000) 3.382 4.984 ( -5.104 4.506 -0.000) 6.809 5.021 ( 0.405 4.152 0.000) 4.172 5.067 ( 0.843 6.444 -0.000) 6.499 5.283 ( 5.478 0.215 0.000) 5.482 5.328 ( 0.218 -1.853 0.000) 1.866 5.399 ( 1.899 -0.291 0.000) 1.921 5.635 ( 1.680 3.599 0.000) 3.972 5.705 ( -2.628 -1.992 0.000) 3.298 5.744 ( 2.799 0.443 0.000) 2.834 5.824 ( 2.228 -5.916 0.000) 6.321 5.853 ( -0.111 -7.902 0.000) 7.903 5.912 ( 1.319 0.189 0.000) 1.333 6.164 ( -4.698 -1.805 0.000) 5.033 6.187 ( -3.766 -4.267 0.000) 5.691 6.576 ( -4.380 5.402 0.000) 6.954 6.712 ( 1.997 4.970 0.000) 5.356 6.934 ( 2.992 -10.674 0.000) 11.086 7.098 ( -1.648 1.296 0.000) 2.097 7.244 ( 0.389 -2.740 0.000) 2.768 7.300 ( -0.334 -2.106 0.000) 2.133 7.787 ( -1.648 -0.172 0.000) 1.657 7.946 ( 5.542 -4.386 0.000) 7.068 7.976 ( -2.669 4.890 0.000) 5.571 8.202 ( -1.956 3.579 0.000) 4.078 8.287 ( 3.361 -3.078 0.000) 4.557 8.344 ( -5.117 2.335 0.000) 5.624 8.448 ( 2.807 -5.606 0.000) 6.269 8.606 ( -0.894 0.831 0.000) 1.220 8.735 ( -1.418 0.501 0.000) 1.504 8.754 ( -2.295 -1.094 0.000) 2.542 9.052 ( -3.069 -9.359 0.000) 9.849 9.228 ( -1.068 -14.593 0.000) 14.632 9.577 ( 3.182 14.490 0.000) 14.836 9.956 ( 3.060 4.903 0.000) 5.780 10.100 ( -0.053 1.312 0.000) 1.313 10.184 ( 0.626 3.540 -0.000) 3.595 10.278 ( 0.336 -0.871 0.000) 0.934 10.299 ( -0.114 -1.119 0.000) 1.124 10.778 ( 0.211 -0.303 0.000) 0.369 10.905 ( 2.802 -0.665 0.000) 2.879 10.957 ( -2.344 -2.836 0.000) 3.680 11.032 ( -6.551 -0.013 0.000) 6.551 11.479 ( 0.193 1.208 0.000) 1.223 11.535 ( 0.507 0.016 0.000) 0.508 12.209 ( 0.473 2.170 0.000) 2.221 12.258 ( 0.685 2.202 0.000) 2.306 12.846 ( 3.403 0.702 0.000) 3.474 12.877 ( 1.069 1.887 0.000) 2.169 13.486 ( 0.172 0.438 0.000) 0.471 13.643 ( -1.056 -2.418 0.000) 2.639 14.013 ( -3.180 4.762 0.000) 5.727 14.275 ( 2.043 -2.027 0.000) 2.878 14.980 ( 1.750 7.616 0.000) 7.815 15.327 ( 11.561 -1.919 0.000) 11.719 15.454 ( -5.468 -0.375 0.000) 5.481 15.646 ( -9.561 0.151 0.000) 9.562 15.795 ( 2.686 -5.645 0.000) 6.252 15.842 ( -1.095 1.772 -0.000) 2.083 15.950 ( 0.253 -1.793 0.000) 1.811 16.070 ( -2.658 2.307 0.000) 3.520 16.144 ( 0.338 -3.955 0.000) 3.969 16.190 ( 0.610 -2.821 0.000) 2.887 16.770 ( -0.831 -0.106 0.000) 0.838 16.779 ( 2.994 -2.751 0.000) 4.066 17.113 ( -3.374 -0.839 0.000) 3.477 17.132 ( -0.951 -2.803 0.000) 2.959 43.664 ( -0.418 -0.170 0.000) 0.451 43.687 ( -0.063 -0.853 -0.000) 0.855 44.153 ( -0.043 0.428 0.000) 0.430 44.167 ( -0.131 2.107 0.000) 2.111 44.181 ( 0.138 -0.119 0.000) 0.182 44.279 ( 1.432 -0.442 0.000) 1.498 44.355 ( -0.359 0.730 0.000) 0.813 44.399 ( 0.420 -0.882 0.000) 0.977 44.483 ( -0.027 2.649 0.000) 2.649 44.602 ( 1.850 0.004 0.000) 1.850 45.006 ( -1.551 -1.306 0.000) 2.028 45.044 ( -0.933 -1.790 0.000) 2.019 97.965 ( -0.093 0.051 0.000) 0.106 97.984 ( -0.081 -0.500 0.000) 0.506 98.000 ( 0.166 0.321 0.000) 0.361 98.006 ( 0.017 0.071 0.000) 0.073 98.167 ( 0.020 0.242 0.000) 0.243 98.178 ( 0.136 0.054 -0.000) 0.146 98.239 ( -0.254 0.069 0.000) 0.263 98.255 ( -0.363 0.179 0.000) 0.404 98.272 ( 0.056 -0.922 0.000) 0.924 98.300 ( 0.299 -1.262 0.000) 1.297 98.345 ( 0.276 0.938 0.000) 0.978 98.355 ( 0.043 0.880 0.000) 0.881 100.778 ( -0.108 0.154 0.000) 0.188 100.787 ( 0.215 -0.104 0.000) 0.238 100.797 ( -0.210 0.082 0.000) 0.225 100.805 ( 0.095 -0.145 0.000) 0.174 100.948 ( 0.083 0.112 0.000) 0.139 100.950 ( 0.089 0.100 0.000) 0.134 100.974 ( -0.068 -0.026 0.000) 0.072 100.979 ( -0.021 -0.103 0.000) 0.105 100.981 ( -0.141 -0.013 0.000) 0.141 100.993 ( -0.018 -0.294 0.000) 0.295 101.022 ( -0.010 0.227 -0.000) 0.227 101.027 ( 0.072 0.036 0.000) 0.080 ======================= Grid point 120 (34/39) ======================= q-point: (-0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -8.439 0.717 0.000) 8.469 1.644 ( -3.629 4.332 -0.000) 5.651 1.753 ( -3.966 8.940 0.000) 9.780 1.761 ( -0.080 6.800 -0.000) 6.800 1.942 ( 7.819 3.187 -0.000) 8.444 1.994 ( -5.147 -4.459 0.000) 6.810 2.051 ( -7.197 1.335 -0.000) 7.320 2.108 ( 0.796 4.535 0.000) 4.605 2.261 ( 1.423 -4.995 -0.000) 5.193 2.263 ( -4.776 -1.606 0.000) 5.039 2.424 ( -2.225 2.671 0.000) 3.476 2.574 ( -1.225 5.179 0.000) 5.322 2.708 ( 1.990 -11.696 -0.000) 11.864 2.739 ( -3.348 -1.713 0.000) 3.761 2.760 ( -12.401 -3.579 0.000) 12.907 2.931 ( 1.245 0.712 0.000) 1.434 2.954 ( 7.653 -0.589 0.000) 7.676 3.057 ( -5.410 3.277 0.000) 6.325 3.113 ( 2.603 1.113 0.000) 2.831 3.175 ( -1.132 -1.791 0.000) 2.119 3.232 ( 4.110 -2.984 0.000) 5.079 3.247 ( -5.714 5.363 -0.000) 7.837 3.332 ( 1.144 -1.997 0.000) 2.301 3.369 ( 2.707 2.275 0.000) 3.536 3.392 ( 13.671 -0.962 0.000) 13.705 3.554 ( 1.944 1.418 0.000) 2.407 3.657 ( -0.380 8.270 0.000) 8.279 3.730 ( 4.323 1.380 0.000) 4.538 3.773 ( -0.385 -1.218 0.000) 1.278 3.848 ( -1.888 3.679 0.000) 4.136 3.912 ( -0.332 6.856 0.000) 6.864 4.018 ( 2.731 -4.576 0.000) 5.329 4.092 ( -0.178 3.347 0.000) 3.352 4.100 ( -2.217 9.796 -0.000) 10.043 4.238 ( -4.210 -3.286 0.000) 5.341 4.340 ( -1.453 5.105 0.000) 5.308 4.426 ( -1.139 -1.928 0.000) 2.239 4.504 ( -1.279 4.840 0.000) 5.006 4.549 ( -3.700 0.935 0.000) 3.816 4.734 ( 0.321 -3.709 0.000) 3.723 4.759 ( 1.585 2.366 -0.000) 2.848 4.781 ( -3.481 -4.218 0.000) 5.469 4.951 ( 2.143 2.991 0.000) 3.679 5.073 ( 4.350 5.436 0.000) 6.963 5.092 ( 0.581 5.313 -0.000) 5.345 5.328 ( -0.281 -1.057 0.000) 1.093 5.380 ( -0.972 -2.389 0.000) 2.579 5.415 ( 3.768 5.631 0.000) 6.775 5.513 ( -9.088 -2.309 0.000) 9.376 5.661 ( -3.559 -2.648 0.000) 4.436 5.737 ( -1.371 -1.215 0.000) 1.832 5.837 ( 1.034 -5.318 0.000) 5.417 5.961 ( 2.814 1.670 0.000) 3.272 5.994 ( 4.205 -3.646 0.000) 5.566 6.104 ( -0.428 -3.967 0.000) 3.990 6.139 ( 2.578 -3.881 0.000) 4.659 6.523 ( -0.386 3.922 0.000) 3.941 6.796 ( 5.133 7.482 0.000) 9.073 6.964 ( -0.394 -11.713 -0.000) 11.720 7.094 ( 1.493 1.052 0.000) 1.826 7.183 ( -5.517 -1.468 0.000) 5.709 7.278 ( -1.424 -3.202 0.000) 3.505 7.763 ( -0.414 -1.588 0.000) 1.641 7.950 ( 0.295 4.399 -0.000) 4.409 7.979 ( -2.359 -3.873 0.000) 4.535 8.217 ( 1.327 4.412 0.000) 4.607 8.274 ( -1.773 -0.845 0.000) 1.964 8.418 ( 10.705 1.649 0.000) 10.831 8.517 ( 4.061 -6.853 0.000) 7.966 8.606 ( 1.151 0.839 -0.000) 1.425 8.632 ( -5.195 0.465 0.000) 5.215 8.772 ( 0.494 -0.975 0.000) 1.093 9.009 ( -1.094 -8.190 0.000) 8.263 9.196 ( -1.788 -13.941 0.000) 14.055 9.633 ( 2.182 14.072 0.000) 14.240 10.009 ( -4.192 -1.010 0.000) 4.312 10.013 ( -0.785 6.641 0.000) 6.687 10.226 ( 2.008 3.507 -0.000) 4.041 10.253 ( -2.542 -1.112 0.000) 2.775 10.298 ( -0.127 -1.680 -0.000) 1.685 10.790 ( 0.858 -0.394 0.000) 0.944 10.887 ( -2.481 -1.224 0.000) 2.766 10.969 ( 0.453 -1.303 0.000) 1.379 11.025 ( 6.827 -0.822 -0.000) 6.876 11.483 ( 0.160 1.306 0.000) 1.316 11.531 ( -0.768 -0.111 0.000) 0.776 12.220 ( 0.557 2.556 -0.000) 2.616 12.251 ( -1.281 1.750 0.000) 2.168 12.865 ( -2.283 1.360 0.000) 2.658 12.878 ( -0.378 1.379 0.000) 1.430 13.518 ( 2.910 1.285 0.000) 3.181 13.624 ( -0.969 -3.071 0.000) 3.220 13.991 ( 1.163 4.037 0.000) 4.201 14.296 ( 0.019 -1.314 0.000) 1.314 14.939 ( -5.165 6.049 0.000) 7.954 15.374 ( -10.872 0.789 0.000) 10.900 15.456 ( 5.061 0.341 0.000) 5.073 15.581 ( 7.375 -3.703 0.000) 8.252 15.834 ( 0.286 1.078 0.000) 1.116 15.874 ( 4.861 -4.576 0.000) 6.676 15.971 ( 1.744 -0.982 0.000) 2.002 16.010 ( -3.051 2.560 -0.000) 3.982 16.146 ( -0.170 -4.072 -0.000) 4.075 16.196 ( -0.070 -2.422 0.000) 2.423 16.741 ( -1.624 -1.326 0.000) 2.096 16.817 ( 0.035 -1.245 0.000) 1.246 17.086 ( 1.373 -1.792 0.000) 2.257 17.150 ( 2.448 -2.024 0.000) 3.177 43.663 ( 0.318 -0.204 0.000) 0.378 43.688 ( 0.169 -0.819 -0.000) 0.836 44.152 ( -0.007 0.405 0.000) 0.405 44.163 ( -0.246 2.003 0.000) 2.018 44.182 ( -0.038 -0.105 0.000) 0.111 44.282 ( -1.131 -0.319 0.000) 1.175 44.351 ( 0.033 0.630 0.000) 0.631 44.403 ( 0.006 -0.855 0.000) 0.855 44.482 ( -0.121 2.700 0.000) 2.703 44.602 ( -1.798 0.013 0.000) 1.798 45.008 ( 1.659 -1.262 0.000) 2.084 45.043 ( 0.840 -1.830 -0.000) 2.013 97.966 ( 0.167 0.084 0.000) 0.187 97.982 ( -0.145 -0.468 0.000) 0.490 98.003 ( 0.068 0.288 0.000) 0.296 98.005 ( -0.087 0.039 0.000) 0.095 98.168 ( 0.011 0.254 0.000) 0.255 98.178 ( -0.166 0.043 -0.000) 0.172 98.239 ( 0.243 0.067 0.000) 0.252 98.253 ( 0.211 0.117 0.000) 0.242 98.272 ( -0.090 -0.884 0.000) 0.888 98.303 ( -0.020 -1.298 0.000) 1.299 98.347 ( -0.015 0.985 0.000) 0.985 98.352 ( -0.387 0.895 0.000) 0.975 100.777 ( 0.014 0.112 0.000) 0.113 100.792 ( 0.233 -0.052 0.000) 0.238 100.792 ( -0.236 0.030 0.000) 0.238 100.806 ( -0.005 -0.104 0.000) 0.104 100.948 ( -0.063 0.120 0.000) 0.136 100.949 ( -0.098 0.094 0.000) 0.136 100.974 ( 0.085 -0.024 0.000) 0.088 100.978 ( -0.035 -0.094 0.000) 0.101 100.981 ( 0.163 -0.025 0.000) 0.165 100.993 ( -0.005 -0.297 0.000) 0.297 101.022 ( -0.018 0.217 0.000) 0.218 101.028 ( -0.033 0.045 0.000) 0.056 ======================= Grid point 122 (35/39) ======================= q-point: (-0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -9.188 6.604 0.000) 11.315 1.466 ( -12.380 9.081 0.000) 15.353 1.659 ( -9.795 7.640 0.000) 12.422 1.662 ( -5.092 6.328 -0.000) 8.122 1.807 ( -7.288 -3.804 0.000) 8.221 1.872 ( -15.289 3.958 0.000) 15.793 2.083 ( 3.030 -1.374 0.000) 3.327 2.146 ( 4.318 1.272 0.000) 4.501 2.231 ( 0.308 6.429 0.000) 6.436 2.274 ( -1.333 -2.581 0.000) 2.905 2.404 ( 0.568 3.792 0.000) 3.834 2.423 ( -12.120 1.457 0.000) 12.207 2.542 ( -3.324 3.865 0.000) 5.098 2.711 ( -1.885 -4.389 0.000) 4.776 2.748 ( 3.708 -3.184 0.000) 4.888 2.877 ( -6.752 -0.465 0.000) 6.768 2.955 ( -0.497 -2.672 0.000) 2.718 3.112 ( 2.630 0.647 0.000) 2.708 3.124 ( -1.896 2.299 0.000) 2.980 3.172 ( 2.373 -2.905 0.000) 3.751 3.191 ( 5.897 -0.673 -0.000) 5.936 3.366 ( 4.172 -5.461 0.000) 6.872 3.388 ( 2.604 -1.583 0.000) 3.048 3.402 ( 0.698 2.266 0.000) 2.371 3.583 ( 1.240 1.593 -0.000) 2.019 3.609 ( 2.288 -1.540 0.000) 2.758 3.613 ( 0.609 5.896 0.000) 5.928 3.704 ( -3.513 -3.873 0.000) 5.229 3.836 ( 0.743 -1.291 0.000) 1.490 3.890 ( -2.304 6.036 0.000) 6.461 3.893 ( 5.034 7.514 0.000) 9.044 4.069 ( 2.506 -5.285 0.000) 5.849 4.077 ( 2.562 3.682 0.000) 4.485 4.089 ( -0.218 5.260 0.000) 5.265 4.172 ( -2.329 0.084 0.000) 2.331 4.342 ( -0.661 1.273 0.000) 1.435 4.352 ( -2.763 -1.434 0.000) 3.113 4.409 ( -3.437 4.423 0.000) 5.602 4.520 ( -1.749 -0.932 0.000) 1.982 4.721 ( -2.154 -3.812 -0.000) 4.378 4.727 ( 1.896 2.792 0.000) 3.375 4.834 ( 2.059 -0.397 0.000) 2.097 5.050 ( 6.198 2.556 0.000) 6.704 5.082 ( -0.525 4.287 0.000) 4.319 5.177 ( 4.428 5.167 0.000) 6.805 5.275 ( -6.630 -1.037 0.000) 6.711 5.320 ( -0.638 2.174 0.000) 2.266 5.339 ( -7.086 -1.261 0.000) 7.197 5.485 ( -12.634 -3.188 -0.000) 13.030 5.488 ( 1.244 7.197 0.000) 7.303 5.770 ( 3.761 -3.047 0.000) 4.840 5.868 ( 2.312 -7.733 0.000) 8.072 5.981 ( -2.677 -2.431 0.000) 3.616 6.024 ( 3.416 2.222 0.000) 4.075 6.141 ( 3.537 -5.563 0.000) 6.592 6.260 ( 5.323 -2.603 0.000) 5.925 6.575 ( 5.434 3.502 0.000) 6.465 6.891 ( -7.017 -9.482 0.000) 11.796 6.892 ( 4.101 9.904 -0.000) 10.720 7.056 ( -6.674 -3.187 0.000) 7.396 7.162 ( 4.889 1.206 0.000) 5.035 7.255 ( -0.548 -3.701 0.000) 3.741 7.776 ( 1.735 -2.045 0.000) 2.682 7.915 ( -2.926 -3.214 0.000) 4.346 7.990 ( 3.450 4.601 0.000) 5.750 8.189 ( -3.807 3.174 0.000) 4.957 8.259 ( 0.246 1.396 0.000) 1.418 8.494 ( -6.948 1.249 0.000) 7.059 8.615 ( 2.807 1.042 0.000) 2.995 8.636 ( 4.513 -8.483 0.000) 9.609 8.738 ( 14.702 3.453 -0.000) 15.102 8.762 ( -0.689 -3.075 0.000) 3.152 9.017 ( 2.820 -6.699 0.000) 7.269 9.177 ( 0.722 -12.317 0.000) 12.338 9.666 ( 1.051 13.364 0.000) 13.406 9.801 ( -12.310 -0.518 0.000) 12.321 10.080 ( 3.837 5.818 0.000) 6.969 10.180 ( -4.535 -2.182 -0.000) 5.033 10.247 ( 0.111 3.120 0.000) 3.122 10.286 ( -1.132 -1.566 -0.000) 1.933 10.809 ( 0.897 0.632 0.000) 1.097 10.837 ( -2.249 -1.309 0.000) 2.602 11.043 ( 6.468 -5.364 0.000) 8.403 11.198 ( 9.779 -1.263 0.000) 9.860 11.484 ( -0.079 1.413 0.000) 1.415 11.510 ( -1.099 -0.042 0.000) 1.100 12.213 ( -2.212 1.491 0.000) 2.668 12.225 ( -0.368 2.361 0.000) 2.390 12.789 ( -4.901 0.382 0.000) 4.916 12.840 ( -2.921 2.339 0.000) 3.742 13.588 ( 3.270 2.605 0.000) 4.181 13.591 ( -2.346 -3.178 -0.000) 3.950 14.057 ( 4.935 2.537 0.000) 5.549 14.277 ( -1.840 -2.732 0.000) 3.294 14.838 ( -3.342 7.480 0.000) 8.192 15.121 ( -12.637 0.536 0.000) 12.649 15.600 ( 7.964 -0.286 0.000) 7.969 15.720 ( 5.448 -4.660 0.000) 7.169 15.850 ( 1.081 0.185 0.000) 1.097 15.939 ( -1.428 -1.725 0.000) 2.239 15.993 ( 3.723 -0.596 0.000) 3.771 16.021 ( 3.077 0.853 0.000) 3.193 16.133 ( -1.083 -3.078 -0.000) 3.263 16.186 ( -0.949 -1.947 0.000) 2.166 16.715 ( -0.775 -1.202 0.000) 1.431 16.787 ( -2.225 0.840 0.000) 2.379 17.162 ( 5.277 -3.160 0.000) 6.151 17.218 ( 3.828 -2.504 0.000) 4.574 43.677 ( 0.927 -0.268 0.000) 0.965 43.693 ( 0.318 -0.833 -0.000) 0.892 44.152 ( -0.035 0.542 0.000) 0.543 44.155 ( -0.578 1.329 0.000) 1.449 44.182 ( 0.068 0.657 0.000) 0.661 44.239 ( -2.729 -0.223 0.000) 2.738 44.357 ( 0.548 0.508 0.000) 0.747 44.399 ( -0.394 -1.116 0.000) 1.184 44.478 ( -0.291 2.960 0.000) 2.974 44.544 ( -3.453 0.172 0.000) 3.457 45.059 ( 2.878 -1.277 0.000) 3.148 45.073 ( 1.845 -1.893 -0.000) 2.643 97.972 ( 0.377 0.119 0.000) 0.395 97.979 ( -0.098 -0.457 0.000) 0.467 98.002 ( -0.203 0.021 0.000) 0.204 98.003 ( -0.088 0.284 -0.000) 0.297 98.168 ( -0.004 0.245 0.000) 0.245 98.172 ( -0.300 0.012 -0.000) 0.300 98.249 ( 0.677 0.113 0.000) 0.687 98.262 ( 0.580 0.065 0.000) 0.584 98.269 ( -0.133 -0.654 0.000) 0.668 98.299 ( -0.425 -1.230 0.000) 1.301 98.340 ( -0.737 0.815 0.000) 1.099 98.344 ( -0.318 1.004 0.000) 1.053 100.778 ( 0.128 0.061 0.000) 0.142 100.788 ( -0.203 -0.054 0.000) 0.210 100.796 ( 0.198 0.031 0.000) 0.201 100.805 ( -0.102 -0.053 0.000) 0.115 100.946 ( -0.140 0.122 -0.000) 0.185 100.946 ( -0.172 0.090 0.000) 0.194 100.977 ( 0.155 -0.007 0.000) 0.155 100.978 ( -0.019 -0.099 0.000) 0.101 100.987 ( 0.336 -0.007 0.000) 0.337 100.993 ( 0.011 -0.312 0.000) 0.313 101.021 ( -0.013 0.197 0.000) 0.197 101.026 ( -0.130 0.030 0.000) 0.133 ======================= Grid point 130 (36/39) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 6.329 3.610 0.000) 7.286 1.625 ( 4.858 10.496 0.000) 11.566 1.740 ( -2.092 -1.849 0.000) 2.792 1.771 ( 3.187 7.880 0.000) 8.500 1.838 ( 9.632 9.109 -0.000) 13.257 2.051 ( 8.596 2.675 0.000) 9.002 2.164 ( 8.505 0.926 0.000) 8.555 2.200 ( -2.890 -2.570 -0.000) 3.867 2.209 ( 7.180 -3.629 0.000) 8.045 2.360 ( 3.866 3.076 0.000) 4.940 2.483 ( 1.095 10.788 0.000) 10.844 2.493 ( 4.617 3.000 0.000) 5.506 2.525 ( -8.611 -3.944 0.000) 9.471 2.612 ( -5.639 -0.021 0.000) 5.639 2.684 ( 6.442 -0.684 0.000) 6.478 2.882 ( -2.258 1.109 0.000) 2.516 2.926 ( 1.035 2.824 0.000) 3.008 3.047 ( -2.269 -3.798 0.000) 4.424 3.094 ( -3.384 1.791 0.000) 3.829 3.177 ( 1.133 -0.129 0.000) 1.140 3.209 ( -7.724 -1.238 0.000) 7.823 3.251 ( 4.270 2.472 0.000) 4.934 3.356 ( -2.231 -4.266 0.000) 4.814 3.451 ( 1.379 0.866 0.000) 1.628 3.557 ( -2.897 -1.892 0.000) 3.460 3.612 ( -0.884 1.227 0.000) 1.513 3.652 ( -0.731 1.650 0.000) 1.805 3.737 ( 5.482 3.915 0.000) 6.736 3.857 ( 3.201 0.411 0.000) 3.227 3.927 ( -4.132 -3.351 0.000) 5.321 3.975 ( -3.166 2.477 0.000) 4.019 3.997 ( 1.741 -0.255 0.000) 1.760 4.097 ( 2.332 -2.208 0.000) 3.211 4.227 ( 5.919 2.605 -0.000) 6.467 4.248 ( 3.455 1.169 0.000) 3.647 4.345 ( -0.619 4.074 0.000) 4.121 4.356 ( 4.551 -0.296 0.000) 4.561 4.474 ( 1.864 5.526 0.000) 5.832 4.582 ( 5.444 1.860 0.000) 5.753 4.712 ( 2.941 0.114 0.000) 2.944 4.759 ( 0.212 -0.294 0.000) 0.362 4.844 ( -0.434 -1.542 0.000) 1.602 5.093 ( -0.028 -3.194 0.000) 3.194 5.161 ( 5.609 0.488 0.000) 5.630 5.211 ( -4.930 4.011 0.000) 6.355 5.240 ( -1.621 2.716 0.000) 3.164 5.292 ( -1.589 2.152 -0.000) 2.675 5.357 ( 0.802 1.131 0.000) 1.387 5.526 ( 7.442 4.431 0.000) 8.661 5.621 ( 4.647 -3.462 0.000) 5.794 5.720 ( -1.271 -2.300 0.000) 2.628 5.744 ( -2.097 0.530 0.000) 2.163 5.905 ( -10.414 -2.305 0.000) 10.666 5.931 ( -2.126 1.169 0.000) 2.426 6.125 ( 0.941 -3.786 0.000) 3.901 6.185 ( -4.596 -6.530 0.000) 7.986 6.670 ( 4.798 -6.022 0.000) 7.699 6.739 ( -4.609 3.207 0.000) 5.615 6.930 ( -8.485 7.272 0.000) 11.175 7.069 ( 6.069 -6.240 0.000) 8.705 7.183 ( -2.761 1.943 -0.000) 3.376 7.194 ( 2.109 -4.722 0.000) 5.172 7.778 ( 2.499 -2.029 0.000) 3.219 7.861 ( -2.334 2.583 0.000) 3.481 8.096 ( 5.300 -4.083 0.000) 6.690 8.150 ( -4.163 4.356 0.000) 6.025 8.316 ( 1.581 -3.158 0.000) 3.532 8.405 ( -11.938 -2.412 0.000) 12.179 8.502 ( -0.544 6.751 0.000) 6.773 8.636 ( 1.880 -4.322 0.000) 4.713 8.693 ( -3.867 3.024 0.000) 4.909 8.784 ( 0.361 -9.068 0.000) 9.075 8.939 ( -1.630 -7.673 0.000) 7.844 8.986 ( -6.330 -4.785 0.000) 7.935 9.810 ( 1.654 12.733 0.000) 12.840 9.902 ( 9.102 0.399 0.000) 9.110 10.152 ( -0.263 4.668 0.000) 4.675 10.181 ( 3.681 -3.450 -0.000) 5.046 10.252 ( -1.523 1.343 0.000) 2.031 10.294 ( 1.123 -0.015 0.000) 1.123 10.809 ( -1.283 2.089 0.000) 2.451 10.824 ( 1.248 -1.856 0.000) 2.236 10.961 ( -2.866 -2.646 0.000) 3.901 11.116 ( -5.968 -6.609 0.000) 8.905 11.507 ( -0.117 1.302 0.000) 1.307 11.515 ( 1.380 0.001 0.000) 1.380 12.244 ( 1.356 2.596 0.000) 2.929 12.274 ( 2.134 1.196 0.000) 2.446 12.824 ( 2.997 4.613 0.000) 5.501 12.886 ( 2.295 2.438 0.000) 3.348 13.529 ( -2.663 1.489 0.000) 3.052 13.605 ( -0.815 -3.865 -0.000) 3.950 14.140 ( 4.983 -3.291 0.000) 5.971 14.201 ( -4.078 4.255 -0.000) 5.894 15.049 ( 11.950 0.775 0.000) 11.976 15.144 ( 1.896 12.341 0.000) 12.486 15.583 ( -8.208 -3.580 0.000) 8.954 15.615 ( 1.782 -6.957 0.000) 7.181 15.813 ( -4.702 0.099 0.000) 4.703 15.884 ( -2.286 -2.781 0.000) 3.600 15.961 ( -2.760 1.776 0.000) 3.282 16.024 ( -0.456 -5.061 0.000) 5.081 16.112 ( 0.752 -2.063 -0.000) 2.196 16.152 ( -0.933 0.804 0.000) 1.231 16.699 ( -0.079 -0.535 0.000) 0.541 16.789 ( -0.813 0.403 0.000) 0.907 17.097 ( -2.588 -3.935 0.000) 4.709 17.153 ( -3.479 -2.705 0.000) 4.407 43.671 ( -0.222 -0.866 0.000) 0.894 43.674 ( -0.911 -0.263 -0.000) 0.948 44.164 ( 0.532 -0.202 0.000) 0.569 44.165 ( -0.103 0.558 0.000) 0.568 44.224 ( 2.769 -0.290 0.000) 2.784 44.233 ( -0.377 2.740 0.000) 2.766 44.371 ( 0.810 -0.453 -0.000) 0.928 44.381 ( -0.670 0.632 0.000) 0.921 44.544 ( 3.353 0.054 0.000) 3.354 44.546 ( 0.007 3.261 0.000) 3.261 45.022 ( -2.804 -1.780 0.000) 3.321 45.025 ( -1.807 -2.816 -0.000) 3.346 97.971 ( -0.313 0.093 0.000) 0.327 97.974 ( 0.092 -0.408 0.000) 0.418 98.003 ( 0.080 0.211 0.000) 0.226 98.006 ( 0.104 0.078 0.000) 0.130 98.173 ( 0.038 0.334 0.000) 0.337 98.174 ( 0.326 0.032 -0.000) 0.327 98.251 ( -0.685 0.085 0.000) 0.690 98.251 ( 0.119 -0.747 -0.000) 0.756 98.271 ( 0.332 -0.824 0.000) 0.888 98.275 ( -1.009 0.280 0.000) 1.047 98.355 ( 0.577 0.804 0.000) 0.989 98.362 ( 0.651 0.387 -0.000) 0.758 100.781 ( 0.184 -0.078 0.000) 0.200 100.785 ( -0.177 0.231 0.000) 0.291 100.798 ( 0.150 -0.224 0.000) 0.270 100.803 ( -0.172 0.053 0.000) 0.180 100.949 ( 0.137 0.175 0.000) 0.222 100.949 ( 0.170 0.143 0.000) 0.222 100.976 ( -0.121 -0.004 0.000) 0.121 100.976 ( -0.027 -0.176 0.000) 0.178 100.986 ( -0.311 0.004 0.000) 0.311 100.987 ( -0.016 -0.335 0.000) 0.335 101.025 ( 0.183 0.037 -0.000) 0.187 101.026 ( 0.011 0.166 0.000) 0.167 ======================= Grid point 132 (37/39) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 6.124 0.037 0.000) 6.124 1.625 ( -3.075 1.025 0.000) 3.241 1.784 ( 4.978 1.225 0.000) 5.127 1.835 ( 3.848 5.051 -0.000) 6.349 2.041 ( 8.940 12.360 0.000) 15.254 2.092 ( -2.815 -1.943 0.000) 3.420 2.164 ( -0.455 -3.119 0.000) 3.152 2.226 ( -10.778 0.089 0.000) 10.778 2.323 ( -1.595 4.821 0.000) 5.078 2.343 ( 1.383 2.043 0.000) 2.467 2.381 ( -1.240 -0.101 0.000) 1.245 2.472 ( 3.475 -4.840 0.000) 5.959 2.518 ( -3.361 -2.752 0.000) 4.344 2.691 ( 5.732 -3.241 0.000) 6.585 2.860 ( 0.587 5.231 -0.000) 5.264 2.881 ( 9.263 2.861 0.000) 9.695 2.940 ( 2.866 -3.744 0.000) 4.715 3.011 ( -2.569 -1.292 0.000) 2.875 3.072 ( 0.335 6.395 0.000) 6.404 3.138 ( 3.956 2.076 0.000) 4.468 3.225 ( 4.206 1.406 0.000) 4.435 3.274 ( -5.778 -4.737 0.000) 7.471 3.320 ( 2.175 4.504 0.000) 5.002 3.435 ( -5.043 2.189 0.000) 5.497 3.462 ( -7.307 1.681 0.000) 7.498 3.521 ( 0.565 -0.352 0.000) 0.666 3.729 ( 4.898 0.784 0.000) 4.960 3.779 ( -4.664 -1.770 0.000) 4.988 3.850 ( -0.344 4.527 0.000) 4.540 3.901 ( -1.574 -0.255 -0.000) 1.595 3.915 ( 0.027 -2.724 0.000) 2.724 4.026 ( 1.684 3.937 0.000) 4.282 4.142 ( 2.013 2.771 0.000) 3.425 4.286 ( -1.155 0.825 0.000) 1.420 4.312 ( 3.128 -1.227 -0.000) 3.361 4.318 ( -1.145 7.613 0.000) 7.699 4.513 ( 7.749 1.156 -0.000) 7.835 4.525 ( 1.713 8.400 0.000) 8.573 4.657 ( 2.433 0.964 0.000) 2.617 4.734 ( -3.476 5.037 0.000) 6.121 4.783 ( 2.513 0.752 0.000) 2.623 4.788 ( -3.552 -1.671 0.000) 3.926 5.062 ( -6.336 2.184 0.000) 6.702 5.097 ( 1.288 0.410 0.000) 1.351 5.201 ( -1.568 6.056 -0.000) 6.256 5.267 ( 3.454 -1.607 0.000) 3.810 5.284 ( 0.472 -1.244 0.000) 1.331 5.401 ( 3.848 0.290 0.000) 3.859 5.643 ( -0.980 -3.936 0.000) 4.056 5.648 ( -6.718 -6.581 -0.000) 9.404 5.727 ( 6.153 0.984 0.000) 6.231 5.757 ( 2.234 0.775 0.000) 2.364 5.775 ( 0.794 2.749 0.000) 2.862 5.912 ( 1.421 -0.547 0.000) 1.523 6.083 ( -4.912 -5.927 0.000) 7.698 6.103 ( -3.117 -3.733 0.000) 4.863 6.676 ( -3.504 3.565 0.000) 4.999 6.747 ( 2.495 -6.441 0.000) 6.907 6.805 ( -0.352 3.505 0.000) 3.523 7.108 ( -1.261 -9.595 0.000) 9.678 7.144 ( -1.169 3.218 -0.000) 3.424 7.247 ( 1.600 -2.557 0.000) 3.017 7.809 ( -2.639 2.004 0.000) 3.314 7.864 ( 4.742 -3.398 0.000) 5.834 8.068 ( -3.124 3.891 0.000) 4.990 8.190 ( 2.570 -4.037 0.000) 4.786 8.222 ( -3.447 -1.054 0.000) 3.604 8.328 ( 0.394 -5.849 0.000) 5.863 8.480 ( -1.382 8.006 0.000) 8.125 8.621 ( -2.156 0.776 0.000) 2.292 8.692 ( 2.782 -3.279 0.000) 4.300 8.742 ( -3.930 -1.908 0.000) 4.369 8.905 ( -2.034 -5.406 0.000) 5.776 8.926 ( -0.195 -12.412 -0.000) 12.413 9.856 ( 2.352 11.960 -0.000) 12.189 10.024 ( 3.006 1.881 0.000) 3.546 10.153 ( -1.017 3.368 0.000) 3.518 10.234 ( 1.679 -2.560 -0.000) 3.061 10.242 ( 1.247 1.719 0.000) 2.123 10.289 ( -1.445 -0.270 0.000) 1.470 10.790 ( -0.520 1.556 0.000) 1.640 10.874 ( 3.723 -2.201 0.000) 4.325 10.911 ( -2.253 -1.504 0.000) 2.709 10.995 ( -4.894 -3.316 0.000) 5.911 11.508 ( 0.166 1.343 0.000) 1.353 11.533 ( 0.347 -0.124 0.000) 0.368 12.266 ( 0.876 2.988 0.000) 3.113 12.303 ( 0.469 1.733 0.000) 1.795 12.892 ( 2.890 3.457 0.000) 4.505 12.925 ( 0.993 2.630 0.000) 2.812 13.495 ( -0.320 0.219 0.000) 0.388 13.575 ( -1.552 -3.863 -0.000) 4.164 14.128 ( -2.700 5.846 0.000) 6.439 14.232 ( 3.378 -1.864 -0.000) 3.858 15.178 ( -0.157 11.150 0.000) 11.151 15.289 ( 10.820 -1.357 0.000) 10.904 15.438 ( -3.737 -1.122 0.000) 3.902 15.652 ( -10.264 0.663 0.000) 10.286 15.674 ( 3.861 -6.027 0.000) 7.158 15.849 ( -1.416 -3.234 0.000) 3.530 15.919 ( -0.690 -0.139 0.000) 0.703 16.014 ( -0.374 -5.436 0.000) 5.449 16.134 ( 1.129 -1.753 -0.000) 2.085 16.135 ( -1.236 1.402 0.000) 1.869 16.720 ( 2.117 -2.585 0.000) 3.342 16.754 ( -2.359 -1.532 0.000) 2.813 17.072 ( 0.216 -2.478 0.000) 2.488 17.087 ( -2.723 -1.518 0.000) 3.117 43.660 ( -0.403 -0.211 0.000) 0.455 43.668 ( -0.036 -0.841 -0.000) 0.842 44.162 ( -0.130 0.386 0.000) 0.407 44.172 ( 0.214 -0.350 0.000) 0.410 44.226 ( -0.294 2.811 0.000) 2.826 44.271 ( 1.474 -0.274 0.000) 1.499 44.371 ( -0.343 0.759 0.000) 0.832 44.386 ( 0.497 -0.422 0.000) 0.652 44.545 ( -0.066 3.185 0.000) 3.186 44.601 ( 1.788 -0.063 0.000) 1.789 44.973 ( -1.538 -1.776 0.000) 2.349 44.995 ( -0.937 -2.790 -0.000) 2.943 97.967 ( -0.076 0.090 0.000) 0.117 97.975 ( -0.034 -0.387 0.000) 0.389 98.005 ( 0.110 0.174 0.000) 0.206 98.007 ( -0.010 0.067 0.000) 0.068 98.174 ( 0.038 0.361 0.000) 0.363 98.179 ( 0.152 0.066 -0.000) 0.166 98.241 ( -0.271 0.068 0.000) 0.279 98.252 ( -0.039 -0.680 0.000) 0.681 98.260 ( -0.360 0.083 0.000) 0.369 98.276 ( 0.200 -1.000 0.000) 1.020 98.363 ( 0.279 0.794 0.000) 0.842 98.370 ( 0.127 0.500 -0.000) 0.516 100.782 ( -0.126 0.236 0.000) 0.267 100.785 ( 0.241 -0.050 0.000) 0.247 100.798 ( -0.237 0.024 0.000) 0.238 100.801 ( 0.115 -0.227 0.000) 0.254 100.951 ( 0.087 0.178 0.000) 0.198 100.952 ( 0.086 0.146 0.000) 0.169 100.973 ( -0.075 -0.025 0.000) 0.079 100.976 ( -0.012 -0.181 0.000) 0.181 100.981 ( -0.149 0.008 0.000) 0.149 100.986 ( -0.007 -0.320 0.000) 0.320 101.027 ( -0.006 0.189 -0.000) 0.189 101.028 ( 0.081 0.047 0.000) 0.094 ======================= Grid point 134 (38/39) ======================= q-point: (-0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -4.386 1.847 0.000) 4.759 1.686 ( 2.945 -0.912 0.000) 3.083 1.847 ( -8.349 -1.091 0.000) 8.420 1.854 ( 0.163 0.282 0.000) 0.326 1.990 ( -2.870 7.439 0.000) 7.973 2.092 ( -0.935 0.455 -0.000) 1.040 2.119 ( -0.607 8.604 0.000) 8.625 2.160 ( -1.528 3.737 0.000) 4.038 2.251 ( -3.615 5.350 0.000) 6.457 2.315 ( 5.078 6.141 0.000) 7.968 2.455 ( 0.796 -8.930 0.000) 8.966 2.514 ( 2.739 2.789 0.000) 3.909 2.534 ( 2.470 -7.002 0.000) 7.425 2.654 ( -4.640 -5.869 0.000) 7.481 2.815 ( -6.138 7.012 0.000) 9.320 2.898 ( -2.988 -3.637 0.000) 4.707 3.029 ( -2.756 6.020 0.000) 6.620 3.045 ( -0.412 -2.899 0.000) 2.928 3.087 ( 7.666 -2.047 -0.000) 7.935 3.134 ( -4.859 -1.999 0.000) 5.255 3.225 ( -3.159 2.328 0.000) 3.924 3.301 ( -1.387 -0.804 0.000) 1.603 3.348 ( -0.169 3.004 0.000) 3.008 3.404 ( 8.094 2.735 0.000) 8.543 3.409 ( 4.718 2.441 0.000) 5.312 3.596 ( 4.802 1.641 0.000) 5.075 3.680 ( -3.035 -5.476 0.000) 6.261 3.801 ( -0.531 5.236 0.000) 5.263 3.822 ( 0.242 3.352 0.000) 3.361 3.873 ( 0.037 -8.641 0.000) 8.641 3.945 ( 2.955 5.252 0.000) 6.026 4.020 ( -2.048 0.510 0.000) 2.110 4.187 ( -6.607 0.603 0.000) 6.634 4.222 ( 4.050 10.165 0.000) 10.942 4.288 ( -2.546 5.810 0.000) 6.343 4.336 ( -0.451 -1.892 0.000) 1.945 4.477 ( -6.076 3.019 0.000) 6.785 4.601 ( -1.542 3.077 0.000) 3.441 4.622 ( -4.654 5.740 0.000) 7.389 4.726 ( 3.543 2.809 -0.000) 4.521 4.734 ( -1.904 0.797 0.000) 2.064 4.811 ( 1.140 2.650 0.000) 2.885 5.018 ( 1.996 1.534 0.000) 2.517 5.160 ( 4.508 1.202 -0.000) 4.665 5.180 ( -0.926 4.361 0.000) 4.459 5.280 ( -1.648 -6.313 0.000) 6.524 5.322 ( 2.988 0.637 -0.000) 3.055 5.453 ( -8.653 -3.544 0.000) 9.351 5.515 ( 5.358 3.245 0.000) 6.264 5.609 ( -2.615 -2.320 0.000) 3.496 5.729 ( -2.959 1.168 0.000) 3.181 5.767 ( -0.286 0.235 0.000) 0.370 5.916 ( 5.422 -2.720 0.000) 6.066 5.925 ( -2.724 -5.634 0.000) 6.257 6.051 ( 3.079 -0.674 0.000) 3.152 6.057 ( 1.883 -4.342 0.000) 4.733 6.618 ( -0.695 4.447 0.000) 4.501 6.772 ( -0.087 -6.289 0.000) 6.290 6.908 ( 8.217 2.459 0.000) 8.577 7.050 ( -4.341 -10.001 0.000) 10.903 7.138 ( 0.863 3.531 -0.000) 3.635 7.233 ( -2.383 -1.538 0.000) 2.836 7.767 ( -1.002 1.917 0.000) 2.163 7.906 ( -0.993 -3.360 0.000) 3.503 8.042 ( 0.799 4.363 0.000) 4.436 8.200 ( 0.458 -2.939 0.000) 2.974 8.257 ( 2.185 -2.644 0.000) 3.430 8.350 ( 1.921 -8.321 0.000) 8.539 8.505 ( 5.910 6.135 0.000) 8.518 8.630 ( 3.178 1.550 0.000) 3.536 8.636 ( -5.724 -0.356 0.000) 5.735 8.732 ( -0.048 -3.390 0.000) 3.390 8.888 ( 0.262 -4.474 0.000) 4.482 8.929 ( 0.996 -10.466 0.000) 10.514 9.894 ( 1.184 10.666 0.000) 10.732 10.011 ( -5.867 1.100 0.000) 5.969 10.128 ( 0.920 4.301 0.000) 4.398 10.233 ( -2.979 -0.761 -0.000) 3.075 10.261 ( 0.072 -1.486 0.000) 1.488 10.279 ( 1.468 1.379 -0.000) 2.015 10.792 ( 0.907 1.026 0.000) 1.369 10.859 ( -2.602 -1.357 0.000) 2.935 10.939 ( -0.612 -1.825 0.000) 1.925 10.979 ( 6.245 -3.295 -0.000) 7.062 11.512 ( 0.231 1.304 0.000) 1.324 11.529 ( -0.734 -0.108 0.000) 0.742 12.280 ( 0.388 2.851 -0.000) 2.878 12.290 ( -1.645 1.734 0.000) 2.390 12.908 ( -2.821 2.645 0.000) 3.868 12.919 ( -0.368 2.626 0.000) 2.652 13.525 ( 3.202 -0.597 0.000) 3.257 13.552 ( -0.842 -3.590 -0.000) 3.688 14.101 ( 0.263 6.116 0.000) 6.121 14.259 ( -0.943 -2.096 0.000) 2.298 15.109 ( -4.671 9.706 0.000) 10.772 15.399 ( -10.905 1.873 0.000) 11.064 15.477 ( 5.840 1.976 -0.000) 6.165 15.484 ( 5.114 -5.683 0.000) 7.646 15.781 ( 6.053 -4.003 0.000) 7.257 15.823 ( -0.915 -3.552 0.000) 3.668 15.941 ( 2.743 -1.370 0.000) 3.066 16.001 ( -1.331 -4.090 0.000) 4.301 16.104 ( -1.163 1.096 -0.000) 1.598 16.153 ( 0.576 -1.065 0.000) 1.211 16.710 ( -1.541 -1.591 0.000) 2.215 16.771 ( 2.213 -3.000 0.000) 3.728 17.054 ( -0.018 -1.097 0.000) 1.097 17.100 ( 2.209 -2.490 0.000) 3.329 43.659 ( 0.286 -0.194 0.000) 0.346 43.670 ( 0.154 -0.859 -0.000) 0.873 44.161 ( 0.060 0.392 0.000) 0.396 44.172 ( -0.158 -0.335 0.000) 0.370 44.222 ( -0.075 2.839 0.000) 2.840 44.275 ( -1.093 -0.319 0.000) 1.139 44.367 ( -0.009 0.822 0.000) 0.822 44.390 ( -0.136 -0.503 0.000) 0.521 44.544 ( 0.004 3.220 0.000) 3.220 44.602 ( -1.742 -0.076 0.000) 1.743 44.974 ( 1.674 -1.788 0.000) 2.450 44.993 ( 0.808 -2.786 -0.000) 2.901 97.968 ( 0.187 0.087 0.000) 0.206 97.973 ( -0.113 -0.337 0.000) 0.356 98.006 ( -0.097 0.069 0.000) 0.119 98.007 ( 0.037 0.119 0.000) 0.125 98.174 ( 0.002 0.356 0.000) 0.356 98.179 ( -0.190 0.069 -0.000) 0.202 98.241 ( 0.270 0.077 0.000) 0.280 98.251 ( 0.002 -0.552 0.000) 0.552 98.260 ( 0.236 -0.006 0.000) 0.236 98.278 ( -0.029 -1.064 0.000) 1.065 98.366 ( -0.037 0.741 0.000) 0.742 98.367 ( -0.380 0.569 -0.000) 0.684 100.780 ( -0.025 0.220 0.000) 0.222 100.789 ( -0.021 -0.144 0.000) 0.146 100.795 ( 0.017 0.118 0.000) 0.119 100.803 ( 0.035 -0.211 0.000) 0.213 100.952 ( -0.063 0.176 0.000) 0.187 100.952 ( -0.105 0.142 0.000) 0.177 100.973 ( 0.088 -0.033 0.000) 0.094 100.976 ( -0.014 -0.154 0.000) 0.155 100.981 ( 0.159 -0.002 0.000) 0.159 100.986 ( -0.005 -0.309 0.000) 0.309 101.026 ( -0.027 0.193 -0.000) 0.195 101.029 ( -0.045 0.038 0.000) 0.059 ======================= Grid point 146 (39/39) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 2.945 0.894 0.000) 3.078 1.637 ( -2.528 -0.186 0.000) 2.535 1.840 ( 0.594 3.668 0.000) 3.716 1.861 ( 1.025 -1.028 0.000) 1.452 2.034 ( -0.261 -5.774 0.000) 5.780 2.050 ( -6.088 -1.847 -0.000) 6.362 2.238 ( 9.917 6.286 0.000) 11.741 2.310 ( -1.688 5.715 0.000) 5.959 2.370 ( 4.506 -0.252 0.000) 4.513 2.391 ( 5.333 1.675 0.000) 5.590 2.404 ( -2.766 0.991 -0.000) 2.938 2.411 ( 1.361 -0.721 0.000) 1.540 2.518 ( -7.293 2.198 0.000) 7.617 2.556 ( -0.423 -8.147 0.000) 8.158 2.867 ( 1.662 0.230 0.000) 1.678 2.911 ( -0.383 -0.495 0.000) 0.626 2.986 ( -2.702 2.685 0.000) 3.809 2.991 ( -1.001 -2.992 -0.000) 3.155 3.170 ( 8.220 4.064 0.000) 9.170 3.239 ( 2.936 7.514 -0.000) 8.067 3.281 ( 4.766 1.163 0.000) 4.906 3.282 ( 2.050 8.084 -0.000) 8.340 3.383 ( 1.601 -4.513 0.000) 4.789 3.471 ( 1.079 0.083 0.000) 1.082 3.482 ( -10.832 1.941 0.000) 11.004 3.483 ( 3.744 -0.281 0.000) 3.755 3.607 ( -0.055 -9.911 0.000) 9.911 3.649 ( -11.000 -5.600 0.000) 12.343 3.895 ( 2.688 1.508 0.000) 3.082 3.917 ( 4.894 0.882 -0.000) 4.973 3.960 ( -4.374 3.830 0.000) 5.814 4.013 ( -0.099 -3.983 0.000) 3.984 4.248 ( 5.827 5.134 0.000) 7.766 4.317 ( -1.310 1.999 0.000) 2.390 4.369 ( 1.695 4.778 -0.000) 5.070 4.399 ( 3.518 -2.643 0.000) 4.400 4.535 ( 4.969 3.958 0.000) 6.352 4.607 ( -1.997 -0.122 -0.000) 2.001 4.727 ( 3.465 3.375 0.000) 4.837 4.769 ( -0.474 -1.027 -0.000) 1.131 4.808 ( 5.008 1.555 0.000) 5.244 4.834 ( -0.683 3.543 0.000) 3.608 5.032 ( 1.520 -4.108 0.000) 4.380 5.062 ( -6.787 -1.138 0.000) 6.881 5.230 ( -0.152 -0.295 0.000) 0.332 5.240 ( -0.153 -1.120 0.000) 1.130 5.380 ( -2.415 7.052 0.000) 7.454 5.381 ( 5.525 -1.946 -0.000) 5.858 5.546 ( 0.194 -5.072 0.000) 5.076 5.551 ( -4.081 -1.425 0.000) 4.323 5.790 ( 3.834 4.907 0.000) 6.227 5.832 ( -0.818 3.997 0.000) 4.079 5.838 ( 4.249 0.863 -0.000) 4.335 5.879 ( -2.058 -2.370 0.000) 3.139 5.970 ( -2.911 -2.348 0.000) 3.740 6.017 ( -3.240 -4.871 0.000) 5.850 6.688 ( 2.265 0.375 -0.000) 2.296 6.711 ( -0.573 0.052 0.000) 0.576 6.861 ( -5.819 2.384 0.000) 6.289 6.906 ( -1.733 -8.459 0.000) 8.635 7.208 ( -0.709 2.267 0.000) 2.375 7.210 ( 2.293 -0.932 0.000) 2.476 7.821 ( 2.532 -0.558 0.000) 2.593 7.843 ( -2.453 0.613 0.000) 2.528 8.119 ( 2.749 -1.834 -0.000) 3.304 8.130 ( -2.738 1.752 0.000) 3.251 8.219 ( -3.510 0.207 0.000) 3.516 8.225 ( -0.563 -3.548 0.000) 3.592 8.611 ( 3.283 -3.849 0.000) 5.059 8.616 ( -3.024 4.148 0.000) 5.133 8.641 ( -1.685 1.533 0.000) 2.278 8.663 ( 1.255 -3.046 0.000) 3.294 8.806 ( -3.167 -1.131 0.000) 3.363 8.813 ( -1.885 -3.509 0.000) 3.984 10.038 ( 1.088 5.096 0.000) 5.211 10.046 ( 3.892 0.348 0.000) 3.908 10.194 ( 2.225 -0.857 -0.000) 2.384 10.208 ( -1.613 1.350 0.000) 2.103 10.259 ( 1.130 0.550 0.000) 1.256 10.281 ( -0.982 -0.682 0.000) 1.195 10.836 ( 2.307 -0.292 -0.652) 2.415 10.836 ( -0.025 1.931 0.652) 2.038 10.893 ( -2.580 -0.157 0.000) 2.585 10.914 ( -2.406 -4.176 -0.000) 4.819 11.528 ( 0.031 0.583 -0.000) 0.584 11.530 ( 0.385 -0.169 0.000) 0.420 12.316 ( 0.780 1.569 0.000) 1.752 12.322 ( 1.014 0.230 0.000) 1.040 12.960 ( 1.953 2.412 0.000) 3.103 12.969 ( 1.524 1.171 0.000) 1.922 13.494 ( -1.520 -0.023 0.000) 1.520 13.504 ( -1.035 -2.431 -0.000) 2.642 14.208 ( 3.523 -0.298 0.000) 3.536 14.221 ( -1.404 2.420 -0.000) 2.798 15.289 ( 6.809 1.764 0.000) 7.033 15.365 ( -5.286 1.110 0.000) 5.401 15.457 ( 3.819 8.276 0.000) 9.115 15.554 ( 5.945 -5.513 0.000) 8.108 15.676 ( -9.843 1.653 0.000) 9.980 15.717 ( -2.384 -8.322 0.000) 8.657 15.924 ( -2.312 0.061 -0.000) 2.312 15.926 ( -0.302 -2.554 0.000) 2.572 16.134 ( 1.309 1.169 0.000) 1.755 16.150 ( -0.017 -0.069 0.000) 0.071 16.688 ( -0.120 -0.247 0.000) 0.275 16.712 ( -2.369 -2.127 0.000) 3.183 17.045 ( 0.144 -0.219 0.000) 0.262 17.058 ( -1.438 -1.139 0.000) 1.834 43.656 ( -0.056 -0.304 0.000) 0.309 43.657 ( -0.354 -0.105 -0.000) 0.369 44.166 ( 0.147 -0.128 0.000) 0.195 44.167 ( -0.163 0.112 0.000) 0.198 44.268 ( 1.389 0.002 0.000) 1.389 44.270 ( -0.167 1.223 0.000) 1.234 44.381 ( 0.412 -0.081 0.000) 0.420 44.382 ( -0.220 0.272 -0.000) 0.350 44.600 ( 1.755 -0.054 0.000) 1.756 44.600 ( -0.065 1.740 0.000) 1.741 44.944 ( -1.592 -0.847 0.000) 1.803 44.944 ( -0.914 -1.655 -0.000) 1.891 97.969 ( -0.104 0.065 0.000) 0.123 97.969 ( 0.015 -0.160 -0.000) 0.160 98.008 ( 0.055 0.065 0.000) 0.085 98.008 ( 0.012 0.007 0.000) 0.014 98.180 ( 0.043 0.199 0.000) 0.204 98.180 ( 0.181 0.025 -0.000) 0.183 98.242 ( 0.012 -0.279 -0.006) 0.280 98.242 ( -0.268 0.013 0.006) 0.269 98.262 ( 0.093 -0.378 0.000) 0.390 98.262 ( -0.435 0.047 0.000) 0.438 98.375 ( 0.220 0.320 0.000) 0.389 98.376 ( 0.229 0.128 -0.000) 0.262 100.785 ( 0.214 0.022 0.000) 0.215 100.786 ( -0.095 0.138 0.000) 0.167 100.797 ( 0.083 -0.134 0.000) 0.158 100.798 ( -0.210 -0.034 0.000) 0.212 100.955 ( 0.087 0.108 0.000) 0.139 100.955 ( 0.095 0.075 -0.000) 0.121 100.973 ( -0.016 -0.090 -0.001) 0.091 100.973 ( -0.092 -0.018 0.001) 0.093 100.981 ( -0.005 -0.135 -0.007) 0.136 100.981 ( -0.135 -0.008 0.007) 0.135 101.029 ( 0.076 0.023 -0.000) 0.080 101.029 ( 0.010 0.063 0.000) 0.064 =================== 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 3/28224 10.0 9.531 9.531 8.158 -0.000 0.000 0.000 3/28224 20.0 1.623 1.623 1.020 -0.000 -0.000 0.000 3/28224 30.0 0.684 0.684 0.387 -0.000 -0.000 0.000 3/28224 40.0 0.404 0.404 0.216 -0.000 -0.000 0.000 3/28224 50.0 0.282 0.282 0.146 -0.000 -0.000 0.000 3/28224 60.0 0.217 0.217 0.110 -0.000 -0.000 0.000 3/28224 70.0 0.177 0.177 0.088 -0.000 -0.000 0.000 3/28224 80.0 0.149 0.149 0.074 -0.000 -0.000 0.000 3/28224 90.0 0.130 0.130 0.064 -0.000 -0.000 0.000 3/28224 100.0 0.115 0.115 0.057 -0.000 -0.000 0.000 3/28224 110.0 0.103 0.103 0.051 -0.000 -0.000 0.000 3/28224 120.0 0.094 0.094 0.046 -0.000 -0.000 0.000 3/28224 130.0 0.086 0.086 0.042 -0.000 -0.000 0.000 3/28224 140.0 0.080 0.080 0.039 -0.000 -0.000 0.000 3/28224 150.0 0.074 0.074 0.036 -0.000 -0.000 0.000 3/28224 160.0 0.069 0.069 0.034 -0.000 -0.000 0.000 3/28224 170.0 0.065 0.065 0.032 -0.000 -0.000 0.000 3/28224 180.0 0.061 0.061 0.030 -0.000 -0.000 0.000 3/28224 190.0 0.058 0.058 0.029 -0.000 -0.000 0.000 3/28224 200.0 0.055 0.055 0.027 -0.000 -0.000 0.000 3/28224 210.0 0.052 0.052 0.026 -0.000 -0.000 0.000 3/28224 220.0 0.050 0.050 0.025 -0.000 -0.000 0.000 3/28224 230.0 0.048 0.048 0.024 -0.000 -0.000 0.000 3/28224 240.0 0.046 0.046 0.023 -0.000 -0.000 0.000 3/28224 250.0 0.044 0.044 0.022 -0.000 -0.000 0.000 3/28224 260.0 0.042 0.042 0.021 -0.000 -0.000 0.000 3/28224 270.0 0.041 0.041 0.020 -0.000 -0.000 0.000 3/28224 280.0 0.039 0.039 0.020 -0.000 -0.000 0.000 3/28224 290.0 0.038 0.038 0.019 -0.000 -0.000 0.000 3/28224 300.0 0.037 0.037 0.018 -0.000 -0.000 0.000 3/28224 310.0 0.036 0.036 0.018 -0.000 -0.000 0.000 3/28224 320.0 0.034 0.034 0.017 -0.000 -0.000 0.000 3/28224 330.0 0.033 0.033 0.017 -0.000 -0.000 0.000 3/28224 340.0 0.033 0.033 0.016 -0.000 -0.000 0.000 3/28224 350.0 0.032 0.032 0.016 -0.000 -0.000 0.000 3/28224 360.0 0.031 0.031 0.016 -0.000 -0.000 0.000 3/28224 370.0 0.030 0.030 0.015 -0.000 -0.000 0.000 3/28224 380.0 0.029 0.029 0.015 -0.000 -0.000 0.000 3/28224 390.0 0.029 0.029 0.014 -0.000 -0.000 0.000 3/28224 400.0 0.028 0.028 0.014 -0.000 -0.000 0.000 3/28224 410.0 0.027 0.027 0.014 -0.000 -0.000 0.000 3/28224 420.0 0.027 0.027 0.013 -0.000 -0.000 0.000 3/28224 430.0 0.026 0.026 0.013 -0.000 -0.000 0.000 3/28224 440.0 0.025 0.025 0.013 -0.000 -0.000 0.000 3/28224 450.0 0.025 0.025 0.013 -0.000 -0.000 0.000 3/28224 460.0 0.024 0.024 0.012 -0.000 -0.000 0.000 3/28224 470.0 0.024 0.024 0.012 -0.000 -0.000 0.000 3/28224 480.0 0.024 0.024 0.012 -0.000 -0.000 0.000 3/28224 490.0 0.023 0.023 0.012 -0.000 -0.000 0.000 3/28224 500.0 0.023 0.023 0.011 -0.000 -0.000 0.000 3/28224 510.0 0.022 0.022 0.011 -0.000 -0.000 0.000 3/28224 520.0 0.022 0.022 0.011 -0.000 -0.000 0.000 3/28224 530.0 0.022 0.022 0.011 -0.000 -0.000 0.000 3/28224 540.0 0.021 0.021 0.011 -0.000 -0.000 0.000 3/28224 550.0 0.021 0.021 0.011 -0.000 -0.000 0.000 3/28224 560.0 0.021 0.021 0.010 -0.000 -0.000 0.000 3/28224 570.0 0.020 0.020 0.010 -0.000 -0.000 0.000 3/28224 580.0 0.020 0.020 0.010 -0.000 -0.000 0.000 3/28224 590.0 0.020 0.020 0.010 -0.000 -0.000 0.000 3/28224 600.0 0.019 0.019 0.010 -0.000 -0.000 0.000 3/28224 610.0 0.019 0.019 0.010 -0.000 -0.000 0.000 3/28224 620.0 0.019 0.019 0.010 -0.000 -0.000 0.000 3/28224 630.0 0.019 0.019 0.009 -0.000 -0.000 0.000 3/28224 640.0 0.018 0.018 0.009 -0.000 -0.000 0.000 3/28224 650.0 0.018 0.018 0.009 -0.000 -0.000 0.000 3/28224 660.0 0.018 0.018 0.009 -0.000 -0.000 0.000 3/28224 670.0 0.018 0.018 0.009 -0.000 -0.000 0.000 3/28224 680.0 0.017 0.017 0.009 -0.000 -0.000 0.000 3/28224 690.0 0.017 0.017 0.009 -0.000 -0.000 0.000 3/28224 700.0 0.017 0.017 0.009 -0.000 -0.000 0.000 3/28224 710.0 0.017 0.017 0.008 -0.000 -0.000 0.000 3/28224 720.0 0.017 0.017 0.008 -0.000 -0.000 0.000 3/28224 730.0 0.016 0.016 0.008 -0.000 -0.000 0.000 3/28224 740.0 0.016 0.016 0.008 -0.000 -0.000 0.000 3/28224 750.0 0.016 0.016 0.008 -0.000 -0.000 0.000 3/28224 760.0 0.016 0.016 0.008 -0.000 -0.000 0.000 3/28224 770.0 0.016 0.016 0.008 -0.000 -0.000 0.000 3/28224 780.0 0.015 0.015 0.008 -0.000 -0.000 0.000 3/28224 790.0 0.015 0.015 0.008 -0.000 -0.000 0.000 3/28224 800.0 0.015 0.015 0.008 -0.000 -0.000 0.000 3/28224 810.0 0.015 0.015 0.008 -0.000 -0.000 0.000 3/28224 820.0 0.015 0.015 0.007 -0.000 -0.000 0.000 3/28224 830.0 0.015 0.015 0.007 -0.000 -0.000 0.000 3/28224 840.0 0.015 0.015 0.007 -0.000 -0.000 0.000 3/28224 850.0 0.014 0.014 0.007 -0.000 -0.000 0.000 3/28224 860.0 0.014 0.014 0.007 -0.000 -0.000 0.000 3/28224 870.0 0.014 0.014 0.007 -0.000 -0.000 0.000 3/28224 880.0 0.014 0.014 0.007 -0.000 -0.000 0.000 3/28224 890.0 0.014 0.014 0.007 -0.000 -0.000 0.000 3/28224 900.0 0.014 0.014 0.007 -0.000 -0.000 0.000 3/28224 910.0 0.014 0.014 0.007 -0.000 -0.000 0.000 3/28224 920.0 0.013 0.013 0.007 -0.000 -0.000 0.000 3/28224 930.0 0.013 0.013 0.007 -0.000 -0.000 0.000 3/28224 940.0 0.013 0.013 0.007 -0.000 -0.000 0.000 3/28224 950.0 0.013 0.013 0.007 -0.000 -0.000 0.000 3/28224 960.0 0.013 0.013 0.007 -0.000 -0.000 0.000 3/28224 970.0 0.013 0.013 0.006 -0.000 -0.000 0.000 3/28224 980.0 0.013 0.013 0.006 -0.000 -0.000 0.000 3/28224 990.0 0.013 0.013 0.006 -0.000 -0.000 0.000 3/28224 1000.0 0.013 0.013 0.006 -0.000 -0.000 0.000 3/28224 Thermal conductivity related properties were written into "kappa-m774.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:34:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|