----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:25:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.136125229999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.625541710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.948805660000001 Atomic positions (fractional): *1 O 0.60203789977105 0.25000000000000 0.42007770198414 15.999 2 O 0.39796210022895 0.75000000000000 0.57992229801586 15.999 3 O 0.89796210022895 0.75000000000000 0.92007770198414 15.999 4 O 0.10203789977105 0.25000000000000 0.07992229801586 15.999 *5 O 0.27559015690168 0.99882983853299 0.86230242941547 15.999 6 O 0.72440984309832 0.49882983853299 0.13769757058453 15.999 7 O 0.22440984309832 0.00117016146701 0.36230242941547 15.999 8 O 0.77559015690168 0.50117016146701 0.63769757058453 15.999 9 O 0.72440984309832 0.00117016146701 0.13769757058453 15.999 10 O 0.27559015690168 0.50117016146701 0.86230242941547 15.999 11 O 0.77559015690168 0.99882983853299 0.63769757058453 15.999 12 O 0.22440984309832 0.49882983853299 0.36230242941547 15.999 *13 O 0.06548409172144 0.50012752699675 0.66367103720990 15.999 14 O 0.93451590827856 0.00012752699675 0.33632896279010 15.999 15 O 0.43451590827856 0.49987247300325 0.16367103720990 15.999 16 O 0.56548409172144 0.99987247300325 0.83632896279010 15.999 17 O 0.43451590827856 0.00012752699675 0.16367103720990 15.999 18 O 0.56548409172144 0.50012752699675 0.83632896279010 15.999 19 O 0.06548409172144 0.99987247300325 0.66367103720990 15.999 20 O 0.93451590827856 0.49987247300325 0.33632896279010 15.999 *21 Zn 0.15089066397766 0.25000000000000 0.80906748917332 65.380 22 Zn 0.84910933602234 0.75000000000000 0.19093251082668 65.380 23 Zn 0.34910933602234 0.75000000000000 0.30906748917332 65.380 24 Zn 0.65089066397766 0.25000000000000 0.69093251082668 65.380 *25 Ba 0.10115079804100 0.75000000000000 0.07803480235001 137.327 26 Ba 0.60115079804100 0.75000000000000 0.42196519764999 137.327 27 Ba 0.39884920195900 0.25000000000000 0.57803480235001 137.327 28 Ba 0.89884920195900 0.25000000000000 0.92196519764999 137.327 *29 Tm 0.07453327488052 0.25000000000000 0.40163939884670 168.934 *30 Tm 0.20792971537455 0.75000000000000 0.62099251407549 168.934 31 Tm 0.70792971537455 0.75000000000000 0.87900748592451 168.934 32 Tm 0.29207028462545 0.25000000000000 0.12099251407549 168.934 33 Tm 0.92546672511948 0.75000000000000 0.59836060115330 168.934 34 Tm 0.42546672511948 0.75000000000000 0.90163939884670 168.934 35 Tm 0.57453327488052 0.25000000000000 0.09836060115330 168.934 36 Tm 0.79207028462545 0.25000000000000 0.37900748592451 168.934 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.136125229999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.625541710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.948805660000001 Atomic positions (fractional): *1 O 0.60203789977105 0.25000000000000 0.42007770198414 15.999 > 1 2 O 0.39796210022895 0.75000000000000 0.57992229801586 15.999 > 2 3 O 0.89796210022895 0.75000000000000 0.92007770198414 15.999 > 3 4 O 0.10203789977105 0.25000000000000 0.07992229801586 15.999 > 4 *5 O 0.27559015690168 0.99882983853299 0.86230242941547 15.999 > 5 6 O 0.72440984309832 0.49882983853299 0.13769757058453 15.999 > 6 7 O 0.22440984309832 0.00117016146701 0.36230242941547 15.999 > 7 8 O 0.77559015690168 0.50117016146701 0.63769757058453 15.999 > 8 9 O 0.72440984309832 0.00117016146701 0.13769757058453 15.999 > 9 10 O 0.27559015690168 0.50117016146701 0.86230242941547 15.999 > 10 11 O 0.77559015690168 0.99882983853299 0.63769757058453 15.999 > 11 12 O 0.22440984309832 0.49882983853299 0.36230242941547 15.999 > 12 *13 O 0.06548409172144 0.50012752699675 0.66367103720990 15.999 > 13 14 O 0.93451590827856 0.00012752699675 0.33632896279010 15.999 > 14 15 O 0.43451590827856 0.49987247300325 0.16367103720990 15.999 > 15 16 O 0.56548409172144 0.99987247300325 0.83632896279010 15.999 > 16 17 O 0.43451590827856 0.00012752699675 0.16367103720990 15.999 > 17 18 O 0.56548409172144 0.50012752699675 0.83632896279010 15.999 > 18 19 O 0.06548409172144 0.99987247300325 0.66367103720990 15.999 > 19 20 O 0.93451590827856 0.49987247300325 0.33632896279010 15.999 > 20 *21 Zn 0.15089066397766 0.25000000000000 0.80906748917332 65.380 > 21 22 Zn 0.84910933602234 0.75000000000000 0.19093251082668 65.380 > 22 23 Zn 0.34910933602234 0.75000000000000 0.30906748917332 65.380 > 23 24 Zn 0.65089066397766 0.25000000000000 0.69093251082668 65.380 > 24 *25 Ba 0.10115079804100 0.75000000000000 0.07803480235001 137.327 > 25 26 Ba 0.60115079804100 0.75000000000000 0.42196519764999 137.327 > 26 27 Ba 0.39884920195900 0.25000000000000 0.57803480235001 137.327 > 27 28 Ba 0.89884920195900 0.25000000000000 0.92196519764999 137.327 > 28 *29 Tm 0.07453327488052 0.25000000000000 0.40163939884670 168.934 > 29 *30 Tm 0.20792971537455 0.75000000000000 0.62099251407549 168.934 > 30 31 Tm 0.70792971537455 0.75000000000000 0.87900748592451 168.934 > 31 32 Tm 0.29207028462545 0.25000000000000 0.12099251407549 168.934 > 32 33 Tm 0.92546672511948 0.75000000000000 0.59836060115330 168.934 > 33 34 Tm 0.42546672511948 0.75000000000000 0.90163939884670 168.934 > 34 35 Tm 0.57453327488052 0.25000000000000 0.09836060115330 168.934 > 35 36 Tm 0.79207028462545 0.25000000000000 0.37900748592451 168.934 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.136125229999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.251083420000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.897611320000003 Atomic positions (fractional): *1 O 0.60203789977105 0.12500000000000 0.21003885099207 15.999 > 1 2 O 0.60203789977105 0.62500000000000 0.21003885099207 15.999 > 1 3 O 0.60203789977105 0.12500000000000 0.71003885099207 15.999 > 1 4 O 0.60203789977105 0.62500000000000 0.71003885099207 15.999 > 1 5 O 0.39796210022895 0.37500000000000 0.28996114900793 15.999 > 2 6 O 0.39796210022895 0.87500000000000 0.28996114900793 15.999 > 2 7 O 0.39796210022895 0.37500000000000 0.78996114900793 15.999 > 2 8 O 0.39796210022895 0.87500000000000 0.78996114900793 15.999 > 2 9 O 0.89796210022895 0.37500000000000 0.46003885099207 15.999 > 3 10 O 0.89796210022895 0.87500000000000 0.46003885099207 15.999 > 3 11 O 0.89796210022895 0.37500000000000 0.96003885099207 15.999 > 3 12 O 0.89796210022895 0.87500000000000 0.96003885099207 15.999 > 3 13 O 0.10203789977105 0.12500000000000 0.03996114900793 15.999 > 4 14 O 0.10203789977105 0.62500000000000 0.03996114900793 15.999 > 4 15 O 0.10203789977105 0.12500000000000 0.53996114900793 15.999 > 4 16 O 0.10203789977105 0.62500000000000 0.53996114900793 15.999 > 4 *17 O 0.27559015690168 0.49941491926650 0.43115121470773 15.999 > 5 18 O 0.27559015690168 0.99941491926650 0.43115121470773 15.999 > 5 19 O 0.27559015690168 0.49941491926650 0.93115121470773 15.999 > 5 20 O 0.27559015690168 0.99941491926650 0.93115121470773 15.999 > 5 21 O 0.72440984309832 0.24941491926650 0.06884878529227 15.999 > 6 22 O 0.72440984309832 0.74941491926650 0.06884878529227 15.999 > 6 23 O 0.72440984309832 0.24941491926650 0.56884878529227 15.999 > 6 24 O 0.72440984309832 0.74941491926650 0.56884878529227 15.999 > 6 25 O 0.22440984309832 0.00058508073350 0.18115121470773 15.999 > 7 26 O 0.22440984309832 0.50058508073350 0.18115121470773 15.999 > 7 27 O 0.22440984309832 0.00058508073350 0.68115121470773 15.999 > 7 28 O 0.22440984309832 0.50058508073350 0.68115121470773 15.999 > 7 29 O 0.77559015690168 0.25058508073350 0.31884878529227 15.999 > 8 30 O 0.77559015690168 0.75058508073350 0.31884878529227 15.999 > 8 31 O 0.77559015690168 0.25058508073350 0.81884878529227 15.999 > 8 32 O 0.77559015690168 0.75058508073350 0.81884878529227 15.999 > 8 33 O 0.72440984309832 0.00058508073350 0.06884878529227 15.999 > 9 34 O 0.72440984309832 0.50058508073350 0.06884878529227 15.999 > 9 35 O 0.72440984309832 0.00058508073350 0.56884878529227 15.999 > 9 36 O 0.72440984309832 0.50058508073350 0.56884878529227 15.999 > 9 37 O 0.27559015690168 0.25058508073350 0.43115121470773 15.999 > 10 38 O 0.27559015690168 0.75058508073350 0.43115121470773 15.999 > 10 39 O 0.27559015690168 0.25058508073350 0.93115121470773 15.999 > 10 40 O 0.27559015690168 0.75058508073350 0.93115121470773 15.999 > 10 41 O 0.77559015690168 0.49941491926650 0.31884878529227 15.999 > 11 42 O 0.77559015690168 0.99941491926650 0.31884878529227 15.999 > 11 43 O 0.77559015690168 0.49941491926650 0.81884878529227 15.999 > 11 44 O 0.77559015690168 0.99941491926650 0.81884878529227 15.999 > 11 45 O 0.22440984309832 0.24941491926650 0.18115121470773 15.999 > 12 46 O 0.22440984309832 0.74941491926650 0.18115121470773 15.999 > 12 47 O 0.22440984309832 0.24941491926650 0.68115121470773 15.999 > 12 48 O 0.22440984309832 0.74941491926650 0.68115121470773 15.999 > 12 *49 O 0.06548409172144 0.25006376349838 0.33183551860495 15.999 > 13 50 O 0.06548409172144 0.75006376349838 0.33183551860495 15.999 > 13 51 O 0.06548409172144 0.25006376349838 0.83183551860495 15.999 > 13 52 O 0.06548409172144 0.75006376349838 0.83183551860495 15.999 > 13 53 O 0.93451590827856 0.00006376349838 0.16816448139505 15.999 > 14 54 O 0.93451590827856 0.50006376349838 0.16816448139505 15.999 > 14 55 O 0.93451590827856 0.00006376349838 0.66816448139505 15.999 > 14 56 O 0.93451590827856 0.50006376349838 0.66816448139505 15.999 > 14 57 O 0.43451590827856 0.24993623650162 0.08183551860495 15.999 > 15 58 O 0.43451590827856 0.74993623650162 0.08183551860495 15.999 > 15 59 O 0.43451590827856 0.24993623650162 0.58183551860495 15.999 > 15 60 O 0.43451590827856 0.74993623650162 0.58183551860495 15.999 > 15 61 O 0.56548409172144 0.49993623650162 0.41816448139505 15.999 > 16 62 O 0.56548409172144 0.99993623650162 0.41816448139505 15.999 > 16 63 O 0.56548409172144 0.49993623650162 0.91816448139505 15.999 > 16 64 O 0.56548409172144 0.99993623650162 0.91816448139505 15.999 > 16 65 O 0.43451590827856 0.00006376349838 0.08183551860495 15.999 > 17 66 O 0.43451590827856 0.50006376349838 0.08183551860495 15.999 > 17 67 O 0.43451590827856 0.00006376349838 0.58183551860495 15.999 > 17 68 O 0.43451590827856 0.50006376349838 0.58183551860495 15.999 > 17 69 O 0.56548409172144 0.25006376349838 0.41816448139505 15.999 > 18 70 O 0.56548409172144 0.75006376349838 0.41816448139505 15.999 > 18 71 O 0.56548409172144 0.25006376349838 0.91816448139505 15.999 > 18 72 O 0.56548409172144 0.75006376349838 0.91816448139505 15.999 > 18 73 O 0.06548409172144 0.49993623650162 0.33183551860495 15.999 > 19 74 O 0.06548409172144 0.99993623650162 0.33183551860495 15.999 > 19 75 O 0.06548409172144 0.49993623650162 0.83183551860495 15.999 > 19 76 O 0.06548409172144 0.99993623650162 0.83183551860495 15.999 > 19 77 O 0.93451590827856 0.24993623650162 0.16816448139505 15.999 > 20 78 O 0.93451590827856 0.74993623650162 0.16816448139505 15.999 > 20 79 O 0.93451590827856 0.24993623650162 0.66816448139505 15.999 > 20 80 O 0.93451590827856 0.74993623650162 0.66816448139505 15.999 > 20 *81 Zn 0.15089066397766 0.12500000000000 0.40453374458666 65.380 > 21 82 Zn 0.15089066397766 0.62500000000000 0.40453374458666 65.380 > 21 83 Zn 0.15089066397766 0.12500000000000 0.90453374458666 65.380 > 21 84 Zn 0.15089066397766 0.62500000000000 0.90453374458666 65.380 > 21 85 Zn 0.84910933602234 0.37500000000000 0.09546625541334 65.380 > 22 86 Zn 0.84910933602234 0.87500000000000 0.09546625541334 65.380 > 22 87 Zn 0.84910933602234 0.37500000000000 0.59546625541334 65.380 > 22 88 Zn 0.84910933602234 0.87500000000000 0.59546625541334 65.380 > 22 89 Zn 0.34910933602234 0.37500000000000 0.15453374458666 65.380 > 23 90 Zn 0.34910933602234 0.87500000000000 0.15453374458666 65.380 > 23 91 Zn 0.34910933602234 0.37500000000000 0.65453374458666 65.380 > 23 92 Zn 0.34910933602234 0.87500000000000 0.65453374458666 65.380 > 23 93 Zn 0.65089066397766 0.12500000000000 0.34546625541334 65.380 > 24 94 Zn 0.65089066397766 0.62500000000000 0.34546625541334 65.380 > 24 95 Zn 0.65089066397766 0.12500000000000 0.84546625541334 65.380 > 24 96 Zn 0.65089066397766 0.62500000000000 0.84546625541334 65.380 > 24 *97 Ba 0.10115079804100 0.37500000000000 0.03901740117501 137.327 > 25 98 Ba 0.10115079804100 0.87500000000000 0.03901740117501 137.327 > 25 99 Ba 0.10115079804100 0.37500000000000 0.53901740117501 137.327 > 25 100 Ba 0.10115079804100 0.87500000000000 0.53901740117501 137.327 > 25 101 Ba 0.60115079804100 0.37500000000000 0.21098259882499 137.327 > 26 102 Ba 0.60115079804100 0.87500000000000 0.21098259882499 137.327 > 26 103 Ba 0.60115079804100 0.37500000000000 0.71098259882499 137.327 > 26 104 Ba 0.60115079804100 0.87500000000000 0.71098259882499 137.327 > 26 105 Ba 0.39884920195900 0.12500000000000 0.28901740117501 137.327 > 27 106 Ba 0.39884920195900 0.62500000000000 0.28901740117501 137.327 > 27 107 Ba 0.39884920195900 0.12500000000000 0.78901740117501 137.327 > 27 108 Ba 0.39884920195900 0.62500000000000 0.78901740117501 137.327 > 27 109 Ba 0.89884920195900 0.12500000000000 0.46098259882499 137.327 > 28 110 Ba 0.89884920195900 0.62500000000000 0.46098259882499 137.327 > 28 111 Ba 0.89884920195900 0.12500000000000 0.96098259882499 137.327 > 28 112 Ba 0.89884920195900 0.62500000000000 0.96098259882499 137.327 > 28 *113 Tm 0.07453327488052 0.12500000000000 0.20081969942335 168.934 > 29 114 Tm 0.07453327488052 0.62500000000000 0.20081969942335 168.934 > 29 115 Tm 0.07453327488052 0.12500000000000 0.70081969942335 168.934 > 29 116 Tm 0.07453327488052 0.62500000000000 0.70081969942335 168.934 > 29 *117 Tm 0.20792971537455 0.37500000000000 0.31049625703774 168.934 > 30 118 Tm 0.20792971537455 0.87500000000000 0.31049625703774 168.934 > 30 119 Tm 0.20792971537455 0.37500000000000 0.81049625703774 168.934 > 30 120 Tm 0.20792971537455 0.87500000000000 0.81049625703774 168.934 > 30 121 Tm 0.70792971537455 0.37500000000000 0.43950374296226 168.934 > 31 122 Tm 0.70792971537455 0.87500000000000 0.43950374296226 168.934 > 31 123 Tm 0.70792971537455 0.37500000000000 0.93950374296226 168.934 > 31 124 Tm 0.70792971537455 0.87500000000000 0.93950374296226 168.934 > 31 125 Tm 0.29207028462545 0.12500000000000 0.06049625703774 168.934 > 32 126 Tm 0.29207028462545 0.62500000000000 0.06049625703774 168.934 > 32 127 Tm 0.29207028462545 0.12500000000000 0.56049625703774 168.934 > 32 128 Tm 0.29207028462545 0.62500000000000 0.56049625703774 168.934 > 32 129 Tm 0.92546672511948 0.37500000000000 0.29918030057665 168.934 > 33 130 Tm 0.92546672511948 0.87500000000000 0.29918030057665 168.934 > 33 131 Tm 0.92546672511948 0.37500000000000 0.79918030057665 168.934 > 33 132 Tm 0.92546672511948 0.87500000000000 0.79918030057665 168.934 > 33 133 Tm 0.42546672511948 0.37500000000000 0.45081969942335 168.934 > 34 134 Tm 0.42546672511948 0.87500000000000 0.45081969942335 168.934 > 34 135 Tm 0.42546672511948 0.37500000000000 0.95081969942335 168.934 > 34 136 Tm 0.42546672511948 0.87500000000000 0.95081969942335 168.934 > 34 137 Tm 0.57453327488052 0.12500000000000 0.04918030057665 168.934 > 35 138 Tm 0.57453327488052 0.62500000000000 0.04918030057665 168.934 > 35 139 Tm 0.57453327488052 0.12500000000000 0.54918030057665 168.934 > 35 140 Tm 0.57453327488052 0.62500000000000 0.54918030057665 168.934 > 35 141 Tm 0.79207028462545 0.12500000000000 0.18950374296226 168.934 > 36 142 Tm 0.79207028462545 0.62500000000000 0.18950374296226 168.934 > 36 143 Tm 0.79207028462545 0.12500000000000 0.68950374296226 168.934 > 36 144 Tm 0.79207028462545 0.62500000000000 0.68950374296226 168.934 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6267449 0.0000000 0.0000000 0.0000000 4.5966210 0.0000000 0.0000000 0.0000000 4.5335988 -------------------------- Born effective charges -------------------------- 1 O -2.5415315 0.0000000 -0.0611880 0.0000000 -2.0738427 0.0000000 -0.0396319 0.0000000 -2.8433684 2 O -2.5415315 0.0000000 -0.0611880 0.0000000 -2.0738427 0.0000000 -0.0396319 0.0000000 -2.8433684 3 O -2.5415315 0.0000000 0.0611880 0.0000000 -2.0738427 0.0000000 0.0396319 0.0000000 -2.8433684 4 O -2.5415315 0.0000000 0.0611880 0.0000000 -2.0738427 0.0000000 0.0396319 0.0000000 -2.8433684 5 O -2.3626262 0.2697427 -0.1493439 0.2620520 -2.6566454 -0.4299042 -0.1629693 -0.3953156 -2.4448248 6 O -2.3626262 -0.2697427 -0.1493439 -0.2620520 -2.6566454 0.4299042 -0.1629693 0.3953156 -2.4448248 7 O -2.3626262 0.2697427 0.1493439 0.2620520 -2.6566454 0.4299042 0.1629693 0.3953156 -2.4448248 8 O -2.3626262 -0.2697427 0.1493439 -0.2620520 -2.6566454 -0.4299042 0.1629693 -0.3953156 -2.4448248 9 O -2.3626262 0.2697427 -0.1493439 0.2620520 -2.6566454 -0.4299042 -0.1629693 -0.3953156 -2.4448248 10 O -2.3626262 -0.2697427 -0.1493439 -0.2620520 -2.6566454 0.4299042 -0.1629693 0.3953156 -2.4448248 11 O -2.3626262 0.2697427 0.1493439 0.2620520 -2.6566454 0.4299042 0.1629693 0.3953156 -2.4448248 12 O -2.3626262 -0.2697427 0.1493439 -0.2620520 -2.6566454 -0.4299042 0.1629693 -0.3953156 -2.4448248 13 O -2.5657143 0.1137469 -0.1655477 0.1706482 -2.5814522 0.0265302 -0.0739187 -0.0241963 -2.1069136 14 O -2.5657143 -0.1137469 -0.1655477 -0.1706482 -2.5814522 -0.0265302 -0.0739187 0.0241963 -2.1069136 15 O -2.5657143 0.1137469 0.1655477 0.1706482 -2.5814522 -0.0265302 0.0739187 0.0241963 -2.1069136 16 O -2.5657143 -0.1137469 0.1655477 -0.1706482 -2.5814522 0.0265302 0.0739187 -0.0241963 -2.1069136 17 O -2.5657143 -0.1137469 0.1655477 -0.1706482 -2.5814522 0.0265302 0.0739187 -0.0241963 -2.1069136 18 O -2.5657143 0.1137469 0.1655477 0.1706482 -2.5814522 -0.0265302 0.0739187 0.0241963 -2.1069136 19 O -2.5657143 -0.1137469 -0.1655477 -0.1706482 -2.5814522 -0.0265302 -0.0739187 0.0241963 -2.1069136 20 O -2.5657143 0.1137469 -0.1655477 0.1706482 -2.5814522 0.0265302 -0.0739187 -0.0241963 -2.1069136 21 Zn 1.9803598 0.0000000 0.2986272 0.0000000 2.3044622 0.0000000 0.2784438 0.0000000 1.8610080 22 Zn 1.9803598 0.0000000 0.2986272 0.0000000 2.3044622 0.0000000 0.2784438 0.0000000 1.8610080 23 Zn 1.9803598 0.0000000 -0.2986272 0.0000000 2.3044622 0.0000000 -0.2784438 0.0000000 1.8610080 24 Zn 1.9803598 0.0000000 -0.2986272 0.0000000 2.3044622 0.0000000 -0.2784438 0.0000000 1.8610080 25 Ba 2.8625620 0.0000000 0.1286848 0.0000000 2.9177208 0.0000000 0.0764608 0.0000000 2.6001330 26 Ba 2.8625620 0.0000000 -0.1286848 0.0000000 2.9177208 0.0000000 -0.0764608 0.0000000 2.6001330 27 Ba 2.8625620 0.0000000 -0.1286848 0.0000000 2.9177208 0.0000000 -0.0764608 0.0000000 2.6001330 28 Ba 2.8625620 0.0000000 0.1286848 0.0000000 2.9177208 0.0000000 0.0764608 0.0000000 2.6001330 29 Tm 3.9463077 0.0000000 0.0032133 0.0000000 3.6501581 0.0000000 -0.0918686 0.0000000 3.7780890 30 Tm 3.6089831 0.0000000 -0.0971564 0.0000000 3.6776969 0.0000000 -0.1326370 0.0000000 3.7076152 31 Tm 3.6089831 0.0000000 0.0971564 0.0000000 3.6776969 0.0000000 0.1326370 0.0000000 3.7076152 32 Tm 3.6089831 0.0000000 0.0971564 0.0000000 3.6776969 0.0000000 0.1326370 0.0000000 3.7076152 33 Tm 3.9463077 0.0000000 0.0032133 0.0000000 3.6501581 0.0000000 -0.0918686 0.0000000 3.7780890 34 Tm 3.9463077 0.0000000 -0.0032133 0.0000000 3.6501581 0.0000000 0.0918686 0.0000000 3.7780890 35 Tm 3.9463077 0.0000000 -0.0032133 0.0000000 3.6501581 0.0000000 0.0918686 0.0000000 3.7780890 36 Tm 3.6089831 0.0000000 -0.0971564 0.0000000 3.6776969 0.0000000 -0.1326370 0.0000000 3.7076152 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 236 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 12), data: (748, 26) @ (26, 12) |-- (248, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.016 Solver_block: 100 / 560 - Time: 2.289 Solver_block: 200 / 560 - Time: 1.092 Solver_block: 300 / 560 - Time: 1.180 Solver_block: 400 / 560 - Time: 0.992 Solver_block: 500 / 560 - Time: 1.070 Solver_block: 560 / 560 - Time: 0.622 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.633 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3101 Number of blocks in projector: 3101 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 748 / 748 (1) 236 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 548 Use submatrix version of eigh solver. (1) Block: 548 / 548 (2) Block: 250 / 548 (2) 246 eigenvectors found. (2) Block: 548 / 548 (2) 294 eigenvectors found. (2) Complementary block size: 8 (2) Compute compressed projector. (2) Use standard solver. (2) 4 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 4 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 419 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 419 Use standard eigh solver. Tree of FC basis block matrices: - (3101, 3058), data: False |-- (419, 412), data: True |-- (419, 412), data: True |-- (419, 412), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (548, 544), data: False |-- (548, 544), data: False |-- (548, 4), data: (548, 8) @ (8, 4) |-- (298, 294), data: True |-- (250, 246), data: True |-- (748, 734), data: False |-- (748, 12), data: (748, 26) @ (26, 12) |-- (248, 236), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:26:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:26:50]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.136125229999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.625541710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.948805660000001 Atomic positions (fractional): 1 O 0.60203789977105 0.25000000000000 0.42007770198414 15.999 2 O 0.39796210022895 0.75000000000000 0.57992229801586 15.999 3 O 0.89796210022895 0.75000000000000 0.92007770198414 15.999 4 O 0.10203789977105 0.25000000000000 0.07992229801586 15.999 5 O 0.27559015690168 0.99882983853299 0.86230242941547 15.999 6 O 0.72440984309832 0.49882983853299 0.13769757058453 15.999 7 O 0.22440984309832 0.00117016146701 0.36230242941547 15.999 8 O 0.77559015690168 0.50117016146701 0.63769757058453 15.999 9 O 0.72440984309832 0.00117016146701 0.13769757058453 15.999 10 O 0.27559015690168 0.50117016146701 0.86230242941547 15.999 11 O 0.77559015690168 0.99882983853299 0.63769757058453 15.999 12 O 0.22440984309832 0.49882983853299 0.36230242941547 15.999 13 O 0.06548409172144 0.50012752699675 0.66367103720990 15.999 14 O 0.93451590827856 0.00012752699675 0.33632896279010 15.999 15 O 0.43451590827856 0.49987247300325 0.16367103720990 15.999 16 O 0.56548409172144 0.99987247300325 0.83632896279010 15.999 17 O 0.43451590827856 0.00012752699675 0.16367103720990 15.999 18 O 0.56548409172144 0.50012752699675 0.83632896279010 15.999 19 O 0.06548409172144 0.99987247300325 0.66367103720990 15.999 20 O 0.93451590827856 0.49987247300325 0.33632896279010 15.999 21 Zn 0.15089066397766 0.25000000000000 0.80906748917332 65.380 22 Zn 0.84910933602234 0.75000000000000 0.19093251082668 65.380 23 Zn 0.34910933602234 0.75000000000000 0.30906748917332 65.380 24 Zn 0.65089066397766 0.25000000000000 0.69093251082668 65.380 25 Ba 0.10115079804100 0.75000000000000 0.07803480235001 137.327 26 Ba 0.60115079804100 0.75000000000000 0.42196519764999 137.327 27 Ba 0.39884920195900 0.25000000000000 0.57803480235001 137.327 28 Ba 0.89884920195900 0.25000000000000 0.92196519764999 137.327 29 Tm 0.07453327488052 0.25000000000000 0.40163939884670 168.934 30 Tm 0.20792971537455 0.75000000000000 0.62099251407549 168.934 31 Tm 0.70792971537455 0.75000000000000 0.87900748592451 168.934 32 Tm 0.29207028462545 0.25000000000000 0.12099251407549 168.934 33 Tm 0.92546672511948 0.75000000000000 0.59836060115330 168.934 34 Tm 0.42546672511948 0.75000000000000 0.90163939884670 168.934 35 Tm 0.57453327488052 0.25000000000000 0.09836060115330 168.934 36 Tm 0.79207028462545 0.25000000000000 0.37900748592451 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.136125229999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.251083420000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.897611320000003 Atomic positions (fractional): 1 O 0.60203789977105 0.12500000000000 0.21003885099207 15.999 > 1 2 O 0.60203789977105 0.62500000000000 0.21003885099207 15.999 > 1 3 O 0.60203789977105 0.12500000000000 0.71003885099207 15.999 > 1 4 O 0.60203789977105 0.62500000000000 0.71003885099207 15.999 > 1 5 O 0.39796210022895 0.37500000000000 0.28996114900793 15.999 > 5 6 O 0.39796210022895 0.87500000000000 0.28996114900793 15.999 > 5 7 O 0.39796210022895 0.37500000000000 0.78996114900793 15.999 > 5 8 O 0.39796210022895 0.87500000000000 0.78996114900793 15.999 > 5 9 O 0.89796210022895 0.37500000000000 0.46003885099207 15.999 > 9 10 O 0.89796210022895 0.87500000000000 0.46003885099207 15.999 > 9 11 O 0.89796210022895 0.37500000000000 0.96003885099207 15.999 > 9 12 O 0.89796210022895 0.87500000000000 0.96003885099207 15.999 > 9 13 O 0.10203789977105 0.12500000000000 0.03996114900793 15.999 > 13 14 O 0.10203789977105 0.62500000000000 0.03996114900793 15.999 > 13 15 O 0.10203789977105 0.12500000000000 0.53996114900793 15.999 > 13 16 O 0.10203789977105 0.62500000000000 0.53996114900793 15.999 > 13 17 O 0.27559015690168 0.49941491926650 0.43115121470773 15.999 > 17 18 O 0.27559015690168 0.99941491926650 0.43115121470773 15.999 > 17 19 O 0.27559015690168 0.49941491926650 0.93115121470773 15.999 > 17 20 O 0.27559015690168 0.99941491926650 0.93115121470773 15.999 > 17 21 O 0.72440984309832 0.24941491926650 0.06884878529227 15.999 > 21 22 O 0.72440984309832 0.74941491926650 0.06884878529227 15.999 > 21 23 O 0.72440984309832 0.24941491926650 0.56884878529227 15.999 > 21 24 O 0.72440984309832 0.74941491926650 0.56884878529227 15.999 > 21 25 O 0.22440984309832 0.00058508073350 0.18115121470773 15.999 > 25 26 O 0.22440984309832 0.50058508073350 0.18115121470773 15.999 > 25 27 O 0.22440984309832 0.00058508073350 0.68115121470773 15.999 > 25 28 O 0.22440984309832 0.50058508073350 0.68115121470773 15.999 > 25 29 O 0.77559015690168 0.25058508073350 0.31884878529227 15.999 > 29 30 O 0.77559015690168 0.75058508073350 0.31884878529227 15.999 > 29 31 O 0.77559015690168 0.25058508073350 0.81884878529227 15.999 > 29 32 O 0.77559015690168 0.75058508073350 0.81884878529227 15.999 > 29 33 O 0.72440984309832 0.00058508073350 0.06884878529227 15.999 > 33 34 O 0.72440984309832 0.50058508073350 0.06884878529227 15.999 > 33 35 O 0.72440984309832 0.00058508073350 0.56884878529227 15.999 > 33 36 O 0.72440984309832 0.50058508073350 0.56884878529227 15.999 > 33 37 O 0.27559015690168 0.25058508073350 0.43115121470773 15.999 > 37 38 O 0.27559015690168 0.75058508073350 0.43115121470773 15.999 > 37 39 O 0.27559015690168 0.25058508073350 0.93115121470773 15.999 > 37 40 O 0.27559015690168 0.75058508073350 0.93115121470773 15.999 > 37 41 O 0.77559015690168 0.49941491926650 0.31884878529227 15.999 > 41 42 O 0.77559015690168 0.99941491926650 0.31884878529227 15.999 > 41 43 O 0.77559015690168 0.49941491926650 0.81884878529227 15.999 > 41 44 O 0.77559015690168 0.99941491926650 0.81884878529227 15.999 > 41 45 O 0.22440984309832 0.24941491926650 0.18115121470773 15.999 > 45 46 O 0.22440984309832 0.74941491926650 0.18115121470773 15.999 > 45 47 O 0.22440984309832 0.24941491926650 0.68115121470773 15.999 > 45 48 O 0.22440984309832 0.74941491926650 0.68115121470773 15.999 > 45 49 O 0.06548409172144 0.25006376349838 0.33183551860495 15.999 > 49 50 O 0.06548409172144 0.75006376349838 0.33183551860495 15.999 > 49 51 O 0.06548409172144 0.25006376349838 0.83183551860495 15.999 > 49 52 O 0.06548409172144 0.75006376349838 0.83183551860495 15.999 > 49 53 O 0.93451590827856 0.00006376349838 0.16816448139505 15.999 > 53 54 O 0.93451590827856 0.50006376349838 0.16816448139505 15.999 > 53 55 O 0.93451590827856 0.00006376349838 0.66816448139505 15.999 > 53 56 O 0.93451590827856 0.50006376349838 0.66816448139505 15.999 > 53 57 O 0.43451590827856 0.24993623650162 0.08183551860495 15.999 > 57 58 O 0.43451590827856 0.74993623650162 0.08183551860495 15.999 > 57 59 O 0.43451590827856 0.24993623650162 0.58183551860495 15.999 > 57 60 O 0.43451590827856 0.74993623650162 0.58183551860495 15.999 > 57 61 O 0.56548409172144 0.49993623650162 0.41816448139505 15.999 > 61 62 O 0.56548409172144 0.99993623650162 0.41816448139505 15.999 > 61 63 O 0.56548409172144 0.49993623650162 0.91816448139505 15.999 > 61 64 O 0.56548409172144 0.99993623650162 0.91816448139505 15.999 > 61 65 O 0.43451590827856 0.00006376349838 0.08183551860495 15.999 > 65 66 O 0.43451590827856 0.50006376349838 0.08183551860495 15.999 > 65 67 O 0.43451590827856 0.00006376349838 0.58183551860495 15.999 > 65 68 O 0.43451590827856 0.50006376349838 0.58183551860495 15.999 > 65 69 O 0.56548409172144 0.25006376349838 0.41816448139505 15.999 > 69 70 O 0.56548409172144 0.75006376349838 0.41816448139505 15.999 > 69 71 O 0.56548409172144 0.25006376349838 0.91816448139505 15.999 > 69 72 O 0.56548409172144 0.75006376349838 0.91816448139505 15.999 > 69 73 O 0.06548409172144 0.49993623650162 0.33183551860495 15.999 > 73 74 O 0.06548409172144 0.99993623650162 0.33183551860495 15.999 > 73 75 O 0.06548409172144 0.49993623650162 0.83183551860495 15.999 > 73 76 O 0.06548409172144 0.99993623650162 0.83183551860495 15.999 > 73 77 O 0.93451590827856 0.24993623650162 0.16816448139505 15.999 > 77 78 O 0.93451590827856 0.74993623650162 0.16816448139505 15.999 > 77 79 O 0.93451590827856 0.24993623650162 0.66816448139505 15.999 > 77 80 O 0.93451590827856 0.74993623650162 0.66816448139505 15.999 > 77 81 Zn 0.15089066397766 0.12500000000000 0.40453374458666 65.380 > 81 82 Zn 0.15089066397766 0.62500000000000 0.40453374458666 65.380 > 81 83 Zn 0.15089066397766 0.12500000000000 0.90453374458666 65.380 > 81 84 Zn 0.15089066397766 0.62500000000000 0.90453374458666 65.380 > 81 85 Zn 0.84910933602234 0.37500000000000 0.09546625541334 65.380 > 85 86 Zn 0.84910933602234 0.87500000000000 0.09546625541334 65.380 > 85 87 Zn 0.84910933602234 0.37500000000000 0.59546625541334 65.380 > 85 88 Zn 0.84910933602234 0.87500000000000 0.59546625541334 65.380 > 85 89 Zn 0.34910933602234 0.37500000000000 0.15453374458666 65.380 > 89 90 Zn 0.34910933602234 0.87500000000000 0.15453374458666 65.380 > 89 91 Zn 0.34910933602234 0.37500000000000 0.65453374458666 65.380 > 89 92 Zn 0.34910933602234 0.87500000000000 0.65453374458666 65.380 > 89 93 Zn 0.65089066397766 0.12500000000000 0.34546625541334 65.380 > 93 94 Zn 0.65089066397766 0.62500000000000 0.34546625541334 65.380 > 93 95 Zn 0.65089066397766 0.12500000000000 0.84546625541334 65.380 > 93 96 Zn 0.65089066397766 0.62500000000000 0.84546625541334 65.380 > 93 97 Ba 0.10115079804100 0.37500000000000 0.03901740117501 137.327 > 97 98 Ba 0.10115079804100 0.87500000000000 0.03901740117501 137.327 > 97 99 Ba 0.10115079804100 0.37500000000000 0.53901740117501 137.327 > 97 100 Ba 0.10115079804100 0.87500000000000 0.53901740117501 137.327 > 97 101 Ba 0.60115079804100 0.37500000000000 0.21098259882499 137.327 > 101 102 Ba 0.60115079804100 0.87500000000000 0.21098259882499 137.327 > 101 103 Ba 0.60115079804100 0.37500000000000 0.71098259882499 137.327 > 101 104 Ba 0.60115079804100 0.87500000000000 0.71098259882499 137.327 > 101 105 Ba 0.39884920195900 0.12500000000000 0.28901740117501 137.327 > 105 106 Ba 0.39884920195900 0.62500000000000 0.28901740117501 137.327 > 105 107 Ba 0.39884920195900 0.12500000000000 0.78901740117501 137.327 > 105 108 Ba 0.39884920195900 0.62500000000000 0.78901740117501 137.327 > 105 109 Ba 0.89884920195900 0.12500000000000 0.46098259882499 137.327 > 109 110 Ba 0.89884920195900 0.62500000000000 0.46098259882499 137.327 > 109 111 Ba 0.89884920195900 0.12500000000000 0.96098259882499 137.327 > 109 112 Ba 0.89884920195900 0.62500000000000 0.96098259882499 137.327 > 109 113 Tm 0.07453327488052 0.12500000000000 0.20081969942335 168.934 > 113 114 Tm 0.07453327488052 0.62500000000000 0.20081969942335 168.934 > 113 115 Tm 0.07453327488052 0.12500000000000 0.70081969942335 168.934 > 113 116 Tm 0.07453327488052 0.62500000000000 0.70081969942335 168.934 > 113 117 Tm 0.20792971537455 0.37500000000000 0.31049625703774 168.934 > 117 118 Tm 0.20792971537455 0.87500000000000 0.31049625703774 168.934 > 117 119 Tm 0.20792971537455 0.37500000000000 0.81049625703774 168.934 > 117 120 Tm 0.20792971537455 0.87500000000000 0.81049625703774 168.934 > 117 121 Tm 0.70792971537455 0.37500000000000 0.43950374296226 168.934 > 121 122 Tm 0.70792971537455 0.87500000000000 0.43950374296226 168.934 > 121 123 Tm 0.70792971537455 0.37500000000000 0.93950374296226 168.934 > 121 124 Tm 0.70792971537455 0.87500000000000 0.93950374296226 168.934 > 121 125 Tm 0.29207028462545 0.12500000000000 0.06049625703774 168.934 > 125 126 Tm 0.29207028462545 0.62500000000000 0.06049625703774 168.934 > 125 127 Tm 0.29207028462545 0.12500000000000 0.56049625703774 168.934 > 125 128 Tm 0.29207028462545 0.62500000000000 0.56049625703774 168.934 > 125 129 Tm 0.92546672511948 0.37500000000000 0.29918030057665 168.934 > 129 130 Tm 0.92546672511948 0.87500000000000 0.29918030057665 168.934 > 129 131 Tm 0.92546672511948 0.37500000000000 0.79918030057665 168.934 > 129 132 Tm 0.92546672511948 0.87500000000000 0.79918030057665 168.934 > 129 133 Tm 0.42546672511948 0.37500000000000 0.45081969942335 168.934 > 133 134 Tm 0.42546672511948 0.87500000000000 0.45081969942335 168.934 > 133 135 Tm 0.42546672511948 0.37500000000000 0.95081969942335 168.934 > 133 136 Tm 0.42546672511948 0.87500000000000 0.95081969942335 168.934 > 133 137 Tm 0.57453327488052 0.12500000000000 0.04918030057665 168.934 > 137 138 Tm 0.57453327488052 0.62500000000000 0.04918030057665 168.934 > 137 139 Tm 0.57453327488052 0.12500000000000 0.54918030057665 168.934 > 137 140 Tm 0.57453327488052 0.62500000000000 0.54918030057665 168.934 > 137 141 Tm 0.79207028462545 0.12500000000000 0.18950374296226 168.934 > 141 142 Tm 0.79207028462545 0.62500000000000 0.18950374296226 168.934 > 141 143 Tm 0.79207028462545 0.12500000000000 0.68950374296226 168.934 > 141 144 Tm 0.79207028462545 0.62500000000000 0.68950374296226 168.934 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6267449 0.0000000 0.0000000 0.0000000 4.5966210 0.0000000 0.0000000 0.0000000 4.5335988 -------------------------- Born effective charges -------------------------- 1 O -2.5415315 0.0000000 -0.0611880 0.0000000 -2.0738427 0.0000000 -0.0396319 0.0000000 -2.8433684 2 O -2.5415315 0.0000000 -0.0611880 0.0000000 -2.0738427 0.0000000 -0.0396319 0.0000000 -2.8433684 3 O -2.5415315 0.0000000 0.0611880 0.0000000 -2.0738427 0.0000000 0.0396319 0.0000000 -2.8433684 4 O -2.5415315 0.0000000 0.0611880 0.0000000 -2.0738427 0.0000000 0.0396319 0.0000000 -2.8433684 5 O -2.3626262 0.2697427 -0.1493439 0.2620520 -2.6566454 -0.4299042 -0.1629693 -0.3953156 -2.4448248 6 O -2.3626262 -0.2697427 -0.1493439 -0.2620520 -2.6566454 0.4299042 -0.1629693 0.3953156 -2.4448248 7 O -2.3626262 0.2697427 0.1493439 0.2620520 -2.6566454 0.4299042 0.1629693 0.3953156 -2.4448248 8 O -2.3626262 -0.2697427 0.1493439 -0.2620520 -2.6566454 -0.4299042 0.1629693 -0.3953156 -2.4448248 9 O -2.3626262 0.2697427 -0.1493439 0.2620520 -2.6566454 -0.4299042 -0.1629693 -0.3953156 -2.4448248 10 O -2.3626262 -0.2697427 -0.1493439 -0.2620520 -2.6566454 0.4299042 -0.1629693 0.3953156 -2.4448248 11 O -2.3626262 0.2697427 0.1493439 0.2620520 -2.6566454 0.4299042 0.1629693 0.3953156 -2.4448248 12 O -2.3626262 -0.2697427 0.1493439 -0.2620520 -2.6566454 -0.4299042 0.1629693 -0.3953156 -2.4448248 13 O -2.5657143 0.1137469 -0.1655477 0.1706482 -2.5814522 0.0265302 -0.0739187 -0.0241963 -2.1069136 14 O -2.5657143 -0.1137469 -0.1655477 -0.1706482 -2.5814522 -0.0265302 -0.0739187 0.0241963 -2.1069136 15 O -2.5657143 0.1137469 0.1655477 0.1706482 -2.5814522 -0.0265302 0.0739187 0.0241963 -2.1069136 16 O -2.5657143 -0.1137469 0.1655477 -0.1706482 -2.5814522 0.0265302 0.0739187 -0.0241963 -2.1069136 17 O -2.5657143 -0.1137469 0.1655477 -0.1706482 -2.5814522 0.0265302 0.0739187 -0.0241963 -2.1069136 18 O -2.5657143 0.1137469 0.1655477 0.1706482 -2.5814522 -0.0265302 0.0739187 0.0241963 -2.1069136 19 O -2.5657143 -0.1137469 -0.1655477 -0.1706482 -2.5814522 -0.0265302 -0.0739187 0.0241963 -2.1069136 20 O -2.5657143 0.1137469 -0.1655477 0.1706482 -2.5814522 0.0265302 -0.0739187 -0.0241963 -2.1069136 21 Zn 1.9803598 0.0000000 0.2986272 0.0000000 2.3044622 0.0000000 0.2784438 0.0000000 1.8610080 22 Zn 1.9803598 0.0000000 0.2986272 0.0000000 2.3044622 0.0000000 0.2784438 0.0000000 1.8610080 23 Zn 1.9803598 0.0000000 -0.2986272 0.0000000 2.3044622 0.0000000 -0.2784438 0.0000000 1.8610080 24 Zn 1.9803598 0.0000000 -0.2986272 0.0000000 2.3044622 0.0000000 -0.2784438 0.0000000 1.8610080 25 Ba 2.8625620 0.0000000 0.1286848 0.0000000 2.9177208 0.0000000 0.0764608 0.0000000 2.6001330 26 Ba 2.8625620 0.0000000 -0.1286848 0.0000000 2.9177208 0.0000000 -0.0764608 0.0000000 2.6001330 27 Ba 2.8625620 0.0000000 -0.1286848 0.0000000 2.9177208 0.0000000 -0.0764608 0.0000000 2.6001330 28 Ba 2.8625620 0.0000000 0.1286848 0.0000000 2.9177208 0.0000000 0.0764608 0.0000000 2.6001330 29 Tm 3.9463077 0.0000000 0.0032133 0.0000000 3.6501581 0.0000000 -0.0918686 0.0000000 3.7780890 30 Tm 3.6089831 0.0000000 -0.0971564 0.0000000 3.6776969 0.0000000 -0.1326370 0.0000000 3.7076152 31 Tm 3.6089831 0.0000000 0.0971564 0.0000000 3.6776969 0.0000000 0.1326370 0.0000000 3.7076152 32 Tm 3.6089831 0.0000000 0.0971564 0.0000000 3.6776969 0.0000000 0.1326370 0.0000000 3.7076152 33 Tm 3.9463077 0.0000000 0.0032133 0.0000000 3.6501581 0.0000000 -0.0918686 0.0000000 3.7780890 34 Tm 3.9463077 0.0000000 -0.0032133 0.0000000 3.6501581 0.0000000 0.0918686 0.0000000 3.7780890 35 Tm 3.9463077 0.0000000 -0.0032133 0.0000000 3.6501581 0.0000000 0.0918686 0.0000000 3.7780890 36 Tm 3.6089831 0.0000000 -0.0971564 0.0000000 3.6776969 0.0000000 -0.1326370 0.0000000 3.7076152 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, 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[ 117, 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: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 2026-01-07 21:27:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:27:36]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.136125229999998 0.000000000000000 0.000000000000000 b 0.000000000000000 5.625541710000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.948805660000001 Atomic positions (fractional): 1 O 0.60203789977105 0.25000000000000 0.42007770198414 15.999 2 O 0.39796210022895 0.75000000000000 0.57992229801586 15.999 3 O 0.89796210022895 0.75000000000000 0.92007770198414 15.999 4 O 0.10203789977105 0.25000000000000 0.07992229801586 15.999 5 O 0.27559015690168 0.99882983853299 0.86230242941547 15.999 6 O 0.72440984309832 0.49882983853299 0.13769757058453 15.999 7 O 0.22440984309832 0.00117016146701 0.36230242941547 15.999 8 O 0.77559015690168 0.50117016146701 0.63769757058453 15.999 9 O 0.72440984309832 0.00117016146701 0.13769757058453 15.999 10 O 0.27559015690168 0.50117016146701 0.86230242941547 15.999 11 O 0.77559015690168 0.99882983853299 0.63769757058453 15.999 12 O 0.22440984309832 0.49882983853299 0.36230242941547 15.999 13 O 0.06548409172144 0.50012752699675 0.66367103720990 15.999 14 O 0.93451590827856 0.00012752699675 0.33632896279010 15.999 15 O 0.43451590827856 0.49987247300325 0.16367103720990 15.999 16 O 0.56548409172144 0.99987247300325 0.83632896279010 15.999 17 O 0.43451590827856 0.00012752699675 0.16367103720990 15.999 18 O 0.56548409172144 0.50012752699675 0.83632896279010 15.999 19 O 0.06548409172144 0.99987247300325 0.66367103720990 15.999 20 O 0.93451590827856 0.49987247300325 0.33632896279010 15.999 21 Zn 0.15089066397766 0.25000000000000 0.80906748917332 65.380 22 Zn 0.84910933602234 0.75000000000000 0.19093251082668 65.380 23 Zn 0.34910933602234 0.75000000000000 0.30906748917332 65.380 24 Zn 0.65089066397766 0.25000000000000 0.69093251082668 65.380 25 Ba 0.10115079804100 0.75000000000000 0.07803480235001 137.327 26 Ba 0.60115079804100 0.75000000000000 0.42196519764999 137.327 27 Ba 0.39884920195900 0.25000000000000 0.57803480235001 137.327 28 Ba 0.89884920195900 0.25000000000000 0.92196519764999 137.327 29 Tm 0.07453327488052 0.25000000000000 0.40163939884670 168.934 30 Tm 0.20792971537455 0.75000000000000 0.62099251407549 168.934 31 Tm 0.70792971537455 0.75000000000000 0.87900748592451 168.934 32 Tm 0.29207028462545 0.25000000000000 0.12099251407549 168.934 33 Tm 0.92546672511948 0.75000000000000 0.59836060115330 168.934 34 Tm 0.42546672511948 0.75000000000000 0.90163939884670 168.934 35 Tm 0.57453327488052 0.25000000000000 0.09836060115330 168.934 36 Tm 0.79207028462545 0.25000000000000 0.37900748592451 168.934 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.136125229999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.251083420000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.897611320000003 Atomic positions (fractional): 1 O 0.60203789977105 0.12500000000000 0.21003885099207 15.999 > 1 2 O 0.60203789977105 0.62500000000000 0.21003885099207 15.999 > 1 3 O 0.60203789977105 0.12500000000000 0.71003885099207 15.999 > 1 4 O 0.60203789977105 0.62500000000000 0.71003885099207 15.999 > 1 5 O 0.39796210022895 0.37500000000000 0.28996114900793 15.999 > 5 6 O 0.39796210022895 0.87500000000000 0.28996114900793 15.999 > 5 7 O 0.39796210022895 0.37500000000000 0.78996114900793 15.999 > 5 8 O 0.39796210022895 0.87500000000000 0.78996114900793 15.999 > 5 9 O 0.89796210022895 0.37500000000000 0.46003885099207 15.999 > 9 10 O 0.89796210022895 0.87500000000000 0.46003885099207 15.999 > 9 11 O 0.89796210022895 0.37500000000000 0.96003885099207 15.999 > 9 12 O 0.89796210022895 0.87500000000000 0.96003885099207 15.999 > 9 13 O 0.10203789977105 0.12500000000000 0.03996114900793 15.999 > 13 14 O 0.10203789977105 0.62500000000000 0.03996114900793 15.999 > 13 15 O 0.10203789977105 0.12500000000000 0.53996114900793 15.999 > 13 16 O 0.10203789977105 0.62500000000000 0.53996114900793 15.999 > 13 17 O 0.27559015690168 0.49941491926650 0.43115121470773 15.999 > 17 18 O 0.27559015690168 0.99941491926650 0.43115121470773 15.999 > 17 19 O 0.27559015690168 0.49941491926650 0.93115121470773 15.999 > 17 20 O 0.27559015690168 0.99941491926650 0.93115121470773 15.999 > 17 21 O 0.72440984309832 0.24941491926650 0.06884878529227 15.999 > 21 22 O 0.72440984309832 0.74941491926650 0.06884878529227 15.999 > 21 23 O 0.72440984309832 0.24941491926650 0.56884878529227 15.999 > 21 24 O 0.72440984309832 0.74941491926650 0.56884878529227 15.999 > 21 25 O 0.22440984309832 0.00058508073350 0.18115121470773 15.999 > 25 26 O 0.22440984309832 0.50058508073350 0.18115121470773 15.999 > 25 27 O 0.22440984309832 0.00058508073350 0.68115121470773 15.999 > 25 28 O 0.22440984309832 0.50058508073350 0.68115121470773 15.999 > 25 29 O 0.77559015690168 0.25058508073350 0.31884878529227 15.999 > 29 30 O 0.77559015690168 0.75058508073350 0.31884878529227 15.999 > 29 31 O 0.77559015690168 0.25058508073350 0.81884878529227 15.999 > 29 32 O 0.77559015690168 0.75058508073350 0.81884878529227 15.999 > 29 33 O 0.72440984309832 0.00058508073350 0.06884878529227 15.999 > 33 34 O 0.72440984309832 0.50058508073350 0.06884878529227 15.999 > 33 35 O 0.72440984309832 0.00058508073350 0.56884878529227 15.999 > 33 36 O 0.72440984309832 0.50058508073350 0.56884878529227 15.999 > 33 37 O 0.27559015690168 0.25058508073350 0.43115121470773 15.999 > 37 38 O 0.27559015690168 0.75058508073350 0.43115121470773 15.999 > 37 39 O 0.27559015690168 0.25058508073350 0.93115121470773 15.999 > 37 40 O 0.27559015690168 0.75058508073350 0.93115121470773 15.999 > 37 41 O 0.77559015690168 0.49941491926650 0.31884878529227 15.999 > 41 42 O 0.77559015690168 0.99941491926650 0.31884878529227 15.999 > 41 43 O 0.77559015690168 0.49941491926650 0.81884878529227 15.999 > 41 44 O 0.77559015690168 0.99941491926650 0.81884878529227 15.999 > 41 45 O 0.22440984309832 0.24941491926650 0.18115121470773 15.999 > 45 46 O 0.22440984309832 0.74941491926650 0.18115121470773 15.999 > 45 47 O 0.22440984309832 0.24941491926650 0.68115121470773 15.999 > 45 48 O 0.22440984309832 0.74941491926650 0.68115121470773 15.999 > 45 49 O 0.06548409172144 0.25006376349838 0.33183551860495 15.999 > 49 50 O 0.06548409172144 0.75006376349838 0.33183551860495 15.999 > 49 51 O 0.06548409172144 0.25006376349838 0.83183551860495 15.999 > 49 52 O 0.06548409172144 0.75006376349838 0.83183551860495 15.999 > 49 53 O 0.93451590827856 0.00006376349838 0.16816448139505 15.999 > 53 54 O 0.93451590827856 0.50006376349838 0.16816448139505 15.999 > 53 55 O 0.93451590827856 0.00006376349838 0.66816448139505 15.999 > 53 56 O 0.93451590827856 0.50006376349838 0.66816448139505 15.999 > 53 57 O 0.43451590827856 0.24993623650162 0.08183551860495 15.999 > 57 58 O 0.43451590827856 0.74993623650162 0.08183551860495 15.999 > 57 59 O 0.43451590827856 0.24993623650162 0.58183551860495 15.999 > 57 60 O 0.43451590827856 0.74993623650162 0.58183551860495 15.999 > 57 61 O 0.56548409172144 0.49993623650162 0.41816448139505 15.999 > 61 62 O 0.56548409172144 0.99993623650162 0.41816448139505 15.999 > 61 63 O 0.56548409172144 0.49993623650162 0.91816448139505 15.999 > 61 64 O 0.56548409172144 0.99993623650162 0.91816448139505 15.999 > 61 65 O 0.43451590827856 0.00006376349838 0.08183551860495 15.999 > 65 66 O 0.43451590827856 0.50006376349838 0.08183551860495 15.999 > 65 67 O 0.43451590827856 0.00006376349838 0.58183551860495 15.999 > 65 68 O 0.43451590827856 0.50006376349838 0.58183551860495 15.999 > 65 69 O 0.56548409172144 0.25006376349838 0.41816448139505 15.999 > 69 70 O 0.56548409172144 0.75006376349838 0.41816448139505 15.999 > 69 71 O 0.56548409172144 0.25006376349838 0.91816448139505 15.999 > 69 72 O 0.56548409172144 0.75006376349838 0.91816448139505 15.999 > 69 73 O 0.06548409172144 0.49993623650162 0.33183551860495 15.999 > 73 74 O 0.06548409172144 0.99993623650162 0.33183551860495 15.999 > 73 75 O 0.06548409172144 0.49993623650162 0.83183551860495 15.999 > 73 76 O 0.06548409172144 0.99993623650162 0.83183551860495 15.999 > 73 77 O 0.93451590827856 0.24993623650162 0.16816448139505 15.999 > 77 78 O 0.93451590827856 0.74993623650162 0.16816448139505 15.999 > 77 79 O 0.93451590827856 0.24993623650162 0.66816448139505 15.999 > 77 80 O 0.93451590827856 0.74993623650162 0.66816448139505 15.999 > 77 81 Zn 0.15089066397766 0.12500000000000 0.40453374458666 65.380 > 81 82 Zn 0.15089066397766 0.62500000000000 0.40453374458666 65.380 > 81 83 Zn 0.15089066397766 0.12500000000000 0.90453374458666 65.380 > 81 84 Zn 0.15089066397766 0.62500000000000 0.90453374458666 65.380 > 81 85 Zn 0.84910933602234 0.37500000000000 0.09546625541334 65.380 > 85 86 Zn 0.84910933602234 0.87500000000000 0.09546625541334 65.380 > 85 87 Zn 0.84910933602234 0.37500000000000 0.59546625541334 65.380 > 85 88 Zn 0.84910933602234 0.87500000000000 0.59546625541334 65.380 > 85 89 Zn 0.34910933602234 0.37500000000000 0.15453374458666 65.380 > 89 90 Zn 0.34910933602234 0.87500000000000 0.15453374458666 65.380 > 89 91 Zn 0.34910933602234 0.37500000000000 0.65453374458666 65.380 > 89 92 Zn 0.34910933602234 0.87500000000000 0.65453374458666 65.380 > 89 93 Zn 0.65089066397766 0.12500000000000 0.34546625541334 65.380 > 93 94 Zn 0.65089066397766 0.62500000000000 0.34546625541334 65.380 > 93 95 Zn 0.65089066397766 0.12500000000000 0.84546625541334 65.380 > 93 96 Zn 0.65089066397766 0.62500000000000 0.84546625541334 65.380 > 93 97 Ba 0.10115079804100 0.37500000000000 0.03901740117501 137.327 > 97 98 Ba 0.10115079804100 0.87500000000000 0.03901740117501 137.327 > 97 99 Ba 0.10115079804100 0.37500000000000 0.53901740117501 137.327 > 97 100 Ba 0.10115079804100 0.87500000000000 0.53901740117501 137.327 > 97 101 Ba 0.60115079804100 0.37500000000000 0.21098259882499 137.327 > 101 102 Ba 0.60115079804100 0.87500000000000 0.21098259882499 137.327 > 101 103 Ba 0.60115079804100 0.37500000000000 0.71098259882499 137.327 > 101 104 Ba 0.60115079804100 0.87500000000000 0.71098259882499 137.327 > 101 105 Ba 0.39884920195900 0.12500000000000 0.28901740117501 137.327 > 105 106 Ba 0.39884920195900 0.62500000000000 0.28901740117501 137.327 > 105 107 Ba 0.39884920195900 0.12500000000000 0.78901740117501 137.327 > 105 108 Ba 0.39884920195900 0.62500000000000 0.78901740117501 137.327 > 105 109 Ba 0.89884920195900 0.12500000000000 0.46098259882499 137.327 > 109 110 Ba 0.89884920195900 0.62500000000000 0.46098259882499 137.327 > 109 111 Ba 0.89884920195900 0.12500000000000 0.96098259882499 137.327 > 109 112 Ba 0.89884920195900 0.62500000000000 0.96098259882499 137.327 > 109 113 Tm 0.07453327488052 0.12500000000000 0.20081969942335 168.934 > 113 114 Tm 0.07453327488052 0.62500000000000 0.20081969942335 168.934 > 113 115 Tm 0.07453327488052 0.12500000000000 0.70081969942335 168.934 > 113 116 Tm 0.07453327488052 0.62500000000000 0.70081969942335 168.934 > 113 117 Tm 0.20792971537455 0.37500000000000 0.31049625703774 168.934 > 117 118 Tm 0.20792971537455 0.87500000000000 0.31049625703774 168.934 > 117 119 Tm 0.20792971537455 0.37500000000000 0.81049625703774 168.934 > 117 120 Tm 0.20792971537455 0.87500000000000 0.81049625703774 168.934 > 117 121 Tm 0.70792971537455 0.37500000000000 0.43950374296226 168.934 > 121 122 Tm 0.70792971537455 0.87500000000000 0.43950374296226 168.934 > 121 123 Tm 0.70792971537455 0.37500000000000 0.93950374296226 168.934 > 121 124 Tm 0.70792971537455 0.87500000000000 0.93950374296226 168.934 > 121 125 Tm 0.29207028462545 0.12500000000000 0.06049625703774 168.934 > 125 126 Tm 0.29207028462545 0.62500000000000 0.06049625703774 168.934 > 125 127 Tm 0.29207028462545 0.12500000000000 0.56049625703774 168.934 > 125 128 Tm 0.29207028462545 0.62500000000000 0.56049625703774 168.934 > 125 129 Tm 0.92546672511948 0.37500000000000 0.29918030057665 168.934 > 129 130 Tm 0.92546672511948 0.87500000000000 0.29918030057665 168.934 > 129 131 Tm 0.92546672511948 0.37500000000000 0.79918030057665 168.934 > 129 132 Tm 0.92546672511948 0.87500000000000 0.79918030057665 168.934 > 129 133 Tm 0.42546672511948 0.37500000000000 0.45081969942335 168.934 > 133 134 Tm 0.42546672511948 0.87500000000000 0.45081969942335 168.934 > 133 135 Tm 0.42546672511948 0.37500000000000 0.95081969942335 168.934 > 133 136 Tm 0.42546672511948 0.87500000000000 0.95081969942335 168.934 > 133 137 Tm 0.57453327488052 0.12500000000000 0.04918030057665 168.934 > 137 138 Tm 0.57453327488052 0.62500000000000 0.04918030057665 168.934 > 137 139 Tm 0.57453327488052 0.12500000000000 0.54918030057665 168.934 > 137 140 Tm 0.57453327488052 0.62500000000000 0.54918030057665 168.934 > 137 141 Tm 0.79207028462545 0.12500000000000 0.18950374296226 168.934 > 141 142 Tm 0.79207028462545 0.62500000000000 0.18950374296226 168.934 > 141 143 Tm 0.79207028462545 0.12500000000000 0.68950374296226 168.934 > 141 144 Tm 0.79207028462545 0.62500000000000 0.68950374296226 168.934 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6267449 0.0000000 0.0000000 0.0000000 4.5966210 0.0000000 0.0000000 0.0000000 4.5335988 -------------------------- Born effective charges -------------------------- 1 O -2.5415315 0.0000000 -0.0611880 0.0000000 -2.0738427 0.0000000 -0.0396319 0.0000000 -2.8433684 2 O -2.5415315 0.0000000 -0.0611880 0.0000000 -2.0738427 0.0000000 -0.0396319 0.0000000 -2.8433684 3 O -2.5415315 0.0000000 0.0611880 0.0000000 -2.0738427 0.0000000 0.0396319 0.0000000 -2.8433684 4 O -2.5415315 0.0000000 0.0611880 0.0000000 -2.0738427 0.0000000 0.0396319 0.0000000 -2.8433684 5 O -2.3626262 0.2697427 -0.1493439 0.2620520 -2.6566454 -0.4299042 -0.1629693 -0.3953156 -2.4448248 6 O -2.3626262 -0.2697427 -0.1493439 -0.2620520 -2.6566454 0.4299042 -0.1629693 0.3953156 -2.4448248 7 O -2.3626262 0.2697427 0.1493439 0.2620520 -2.6566454 0.4299042 0.1629693 0.3953156 -2.4448248 8 O -2.3626262 -0.2697427 0.1493439 -0.2620520 -2.6566454 -0.4299042 0.1629693 -0.3953156 -2.4448248 9 O -2.3626262 0.2697427 -0.1493439 0.2620520 -2.6566454 -0.4299042 -0.1629693 -0.3953156 -2.4448248 10 O -2.3626262 -0.2697427 -0.1493439 -0.2620520 -2.6566454 0.4299042 -0.1629693 0.3953156 -2.4448248 11 O -2.3626262 0.2697427 0.1493439 0.2620520 -2.6566454 0.4299042 0.1629693 0.3953156 -2.4448248 12 O -2.3626262 -0.2697427 0.1493439 -0.2620520 -2.6566454 -0.4299042 0.1629693 -0.3953156 -2.4448248 13 O -2.5657143 0.1137469 -0.1655477 0.1706482 -2.5814522 0.0265302 -0.0739187 -0.0241963 -2.1069136 14 O -2.5657143 -0.1137469 -0.1655477 -0.1706482 -2.5814522 -0.0265302 -0.0739187 0.0241963 -2.1069136 15 O -2.5657143 0.1137469 0.1655477 0.1706482 -2.5814522 -0.0265302 0.0739187 0.0241963 -2.1069136 16 O -2.5657143 -0.1137469 0.1655477 -0.1706482 -2.5814522 0.0265302 0.0739187 -0.0241963 -2.1069136 17 O -2.5657143 -0.1137469 0.1655477 -0.1706482 -2.5814522 0.0265302 0.0739187 -0.0241963 -2.1069136 18 O -2.5657143 0.1137469 0.1655477 0.1706482 -2.5814522 -0.0265302 0.0739187 0.0241963 -2.1069136 19 O -2.5657143 -0.1137469 -0.1655477 -0.1706482 -2.5814522 -0.0265302 -0.0739187 0.0241963 -2.1069136 20 O -2.5657143 0.1137469 -0.1655477 0.1706482 -2.5814522 0.0265302 -0.0739187 -0.0241963 -2.1069136 21 Zn 1.9803598 0.0000000 0.2986272 0.0000000 2.3044622 0.0000000 0.2784438 0.0000000 1.8610080 22 Zn 1.9803598 0.0000000 0.2986272 0.0000000 2.3044622 0.0000000 0.2784438 0.0000000 1.8610080 23 Zn 1.9803598 0.0000000 -0.2986272 0.0000000 2.3044622 0.0000000 -0.2784438 0.0000000 1.8610080 24 Zn 1.9803598 0.0000000 -0.2986272 0.0000000 2.3044622 0.0000000 -0.2784438 0.0000000 1.8610080 25 Ba 2.8625620 0.0000000 0.1286848 0.0000000 2.9177208 0.0000000 0.0764608 0.0000000 2.6001330 26 Ba 2.8625620 0.0000000 -0.1286848 0.0000000 2.9177208 0.0000000 -0.0764608 0.0000000 2.6001330 27 Ba 2.8625620 0.0000000 -0.1286848 0.0000000 2.9177208 0.0000000 -0.0764608 0.0000000 2.6001330 28 Ba 2.8625620 0.0000000 0.1286848 0.0000000 2.9177208 0.0000000 0.0764608 0.0000000 2.6001330 29 Tm 3.9463077 0.0000000 0.0032133 0.0000000 3.6501581 0.0000000 -0.0918686 0.0000000 3.7780890 30 Tm 3.6089831 0.0000000 -0.0971564 0.0000000 3.6776969 0.0000000 -0.1326370 0.0000000 3.7076152 31 Tm 3.6089831 0.0000000 0.0971564 0.0000000 3.6776969 0.0000000 0.1326370 0.0000000 3.7076152 32 Tm 3.6089831 0.0000000 0.0971564 0.0000000 3.6776969 0.0000000 0.1326370 0.0000000 3.7076152 33 Tm 3.9463077 0.0000000 0.0032133 0.0000000 3.6501581 0.0000000 -0.0918686 0.0000000 3.7780890 34 Tm 3.9463077 0.0000000 -0.0032133 0.0000000 3.6501581 0.0000000 0.0918686 0.0000000 3.7780890 35 Tm 3.9463077 0.0000000 -0.0032133 0.0000000 3.6501581 0.0000000 0.0918686 0.0000000 3.7780890 36 Tm 3.6089831 0.0000000 -0.0971564 0.0000000 3.6776969 0.0000000 -0.1326370 0.0000000 3.7076152 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xxx) -0.00000004 (xxx) -0.00000004 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 9 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 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 1.644 ( 0.000 0.000 0.000) 0.000 1.874 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 2.247 ( 0.000 0.000 0.000) 0.000 2.378 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 0.000) 0.000 3.338 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.754 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.139 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.506 ( 0.000 0.000 0.000) 0.000 5.626 ( 0.000 0.000 0.000) 0.000 5.665 ( 0.000 0.000 0.000) 0.000 5.758 ( 0.000 0.000 0.000) 0.000 6.122 ( 0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 6.791 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.228 ( 0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.824 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.253 ( 0.000 0.000 0.000) 0.000 8.265 ( 0.000 0.000 0.000) 0.000 8.441 ( 0.000 0.000 0.000) 0.000 8.467 ( 0.000 0.000 0.000) 0.000 8.538 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 8.845 ( 0.000 0.000 0.000) 0.000 8.924 ( 0.000 0.000 0.000) 0.000 9.165 ( 0.000 0.000 0.000) 0.000 9.237 ( 0.000 0.000 0.000) 0.000 9.396 ( 0.000 0.000 0.000) 0.000 9.683 ( 0.000 0.000 0.000) 0.000 10.367 ( 0.000 0.000 0.000) 0.000 10.593 ( 0.000 0.000 0.000) 0.000 10.608 ( 0.000 0.000 0.000) 0.000 10.782 ( 0.000 0.000 0.000) 0.000 10.785 ( 0.000 0.000 0.000) 0.000 10.790 ( 0.000 0.000 0.000) 0.000 10.794 ( 0.000 0.000 0.000) 0.000 10.933 ( 0.000 0.000 0.000) 0.000 11.441 ( 0.000 0.000 0.000) 0.000 11.601 ( 0.000 0.000 0.000) 0.000 11.618 ( 0.000 0.000 0.000) 0.000 11.774 ( 0.000 0.000 0.000) 0.000 11.801 ( 0.000 0.000 0.000) 0.000 12.112 ( 0.000 0.000 0.000) 0.000 12.451 ( 0.000 0.000 0.000) 0.000 12.680 ( 0.000 0.000 0.000) 0.000 13.160 ( 0.000 0.000 0.000) 0.000 13.208 ( 0.000 0.000 0.000) 0.000 13.667 ( 0.000 0.000 0.000) 0.000 13.707 ( 0.000 0.000 0.000) 0.000 13.805 ( 0.000 0.000 0.000) 0.000 13.974 ( 0.000 0.000 0.000) 0.000 14.150 ( 0.000 0.000 0.000) 0.000 14.609 ( 0.000 0.000 0.000) 0.000 14.736 ( 0.000 0.000 0.000) 0.000 14.964 ( 0.000 0.000 0.000) 0.000 15.351 ( 0.000 0.000 0.000) 0.000 15.881 ( 0.000 0.000 0.000) 0.000 15.917 ( 0.000 0.000 0.000) 0.000 16.494 ( 0.000 0.000 0.000) 0.000 16.619 ( 0.000 0.000 0.000) 0.000 17.169 ( 0.000 0.000 0.000) 0.000 17.540 ( 0.000 0.000 0.000) 0.000 17.750 ( 0.000 0.000 0.000) 0.000 17.757 ( 0.000 0.000 0.000) 0.000 18.091 ( 0.000 0.000 0.000) 0.000 18.237 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 22.430 0.000 0.000) 22.430 0.673 ( 31.373 0.000 0.000) 31.373 1.103 ( 51.537 0.000 0.000) 51.537 1.338 ( -19.477 0.000 0.000) 19.477 1.720 ( -13.645 0.000 0.000) 13.645 2.193 ( 18.018 0.000 0.000) 18.018 2.289 ( 2.144 0.000 0.000) 2.144 2.362 ( -1.668 0.000 0.000) 1.668 2.690 ( 2.614 0.000 0.000) 2.614 2.766 ( 0.016 0.000 0.000) 0.016 2.807 ( -9.005 0.000 0.000) 9.005 2.907 ( -6.487 0.000 0.000) 6.487 2.958 ( -10.155 0.000 0.000) 10.155 2.982 ( 7.379 0.000 0.000) 7.379 3.018 ( 0.048 0.000 0.000) 0.048 3.158 ( -30.437 0.000 0.000) 30.437 3.161 ( -2.809 0.000 0.000) 2.809 3.358 ( 8.615 0.000 0.000) 8.615 3.362 ( -14.776 0.000 0.000) 14.776 3.442 ( 4.867 0.000 0.000) 4.867 3.519 ( 8.825 0.000 0.000) 8.825 3.569 ( -1.474 0.000 0.000) 1.474 3.632 ( -3.316 0.000 0.000) 3.316 3.654 ( -2.516 0.000 0.000) 2.516 3.697 ( -5.197 0.000 0.000) 5.197 3.899 ( -7.110 0.000 0.000) 7.110 3.955 ( 13.625 0.000 0.000) 13.625 4.106 ( -0.123 0.000 0.000) 0.123 4.107 ( -1.073 0.000 0.000) 1.073 4.388 ( 1.034 0.000 0.000) 1.034 4.440 ( 1.070 0.000 0.000) 1.070 4.459 ( -1.085 0.000 0.000) 1.085 4.485 ( -8.318 0.000 0.000) 8.318 4.661 ( 17.667 0.000 0.000) 17.667 4.668 ( -8.106 0.000 0.000) 8.106 4.797 ( 5.646 0.000 0.000) 5.646 4.939 ( 13.900 0.000 0.000) 13.900 4.978 ( -2.746 0.000 0.000) 2.746 5.060 ( -4.635 0.000 0.000) 4.635 5.200 ( 2.503 0.000 0.000) 2.503 5.322 ( 7.906 0.000 0.000) 7.906 5.485 ( -1.084 0.000 0.000) 1.084 5.489 ( -0.340 0.000 0.000) 0.340 5.640 ( 1.395 0.000 0.000) 1.395 5.696 ( -5.815 0.000 0.000) 5.815 5.794 ( -4.313 0.000 0.000) 4.313 6.159 ( 4.503 0.000 0.000) 4.503 6.334 ( -1.807 0.000 0.000) 1.807 6.469 ( 10.794 0.000 0.000) 10.794 6.809 ( 1.062 0.000 0.000) 1.062 6.993 ( 18.203 0.000 0.000) 18.203 7.156 ( -0.295 0.000 0.000) 0.295 7.203 ( -2.473 0.000 0.000) 2.473 7.474 ( 2.631 0.000 0.000) 2.631 7.570 ( -1.481 0.000 0.000) 1.481 7.613 ( -15.233 0.000 0.000) 15.233 7.870 ( -16.067 0.000 0.000) 16.067 8.056 ( -16.000 0.000 0.000) 16.000 8.204 ( 4.037 0.000 0.000) 4.037 8.262 ( -0.326 0.000 0.000) 0.326 8.262 ( 1.284 0.000 0.000) 1.284 8.569 ( -10.164 0.000 0.000) 10.164 8.652 ( 8.263 0.000 0.000) 8.263 8.705 ( 12.404 0.000 0.000) 12.404 8.932 ( 8.077 0.000 0.000) 8.077 9.015 ( 6.550 0.000 0.000) 6.550 9.139 ( -2.494 0.000 0.000) 2.494 9.238 ( 0.875 0.000 0.000) 0.875 9.258 ( 1.594 0.000 0.000) 1.594 9.360 ( -3.277 0.000 0.000) 3.277 10.120 ( -3.419 0.000 0.000) 3.419 10.399 ( -9.913 0.000 0.000) 9.913 10.429 ( -10.880 0.000 0.000) 10.880 10.542 ( -13.542 0.000 0.000) 13.542 10.998 ( 11.212 0.000 0.000) 11.212 11.007 ( 11.889 0.000 0.000) 11.889 11.076 ( 7.946 0.000 0.000) 7.946 11.080 ( 19.984 0.000 0.000) 19.984 11.460 ( 1.543 0.000 0.000) 1.543 11.542 ( -3.163 0.000 0.000) 3.163 11.584 ( -10.114 0.000 0.000) 10.114 11.665 ( 2.431 0.000 0.000) 2.431 11.780 ( -2.094 0.000 0.000) 2.094 11.952 ( -14.072 0.000 0.000) 14.072 12.525 ( 5.778 0.000 0.000) 5.778 12.687 ( -0.379 0.000 0.000) 0.379 13.141 ( -1.566 0.000 0.000) 1.566 13.159 ( -3.409 0.000 0.000) 3.409 13.689 ( 2.168 0.000 0.000) 2.168 13.719 ( 1.064 0.000 0.000) 1.064 13.797 ( -0.736 0.000 0.000) 0.736 13.899 ( -5.567 0.000 0.000) 5.567 14.245 ( 7.994 0.000 0.000) 7.994 14.532 ( 9.141 0.000 0.000) 9.141 14.560 ( -4.682 0.000 0.000) 4.682 14.899 ( -5.999 0.000 0.000) 5.999 15.410 ( 5.436 0.000 0.000) 5.436 15.759 ( -9.454 0.000 0.000) 9.454 15.928 ( 0.971 0.000 0.000) 0.971 15.981 ( -1.051 0.000 0.000) 1.051 16.651 ( 12.321 0.000 0.000) 12.321 17.025 ( 2.494 0.000 0.000) 2.494 17.091 ( -6.449 0.000 0.000) 6.449 17.360 ( -12.848 0.000 0.000) 12.848 17.794 ( 7.093 0.000 0.000) 7.093 17.944 ( 9.513 0.000 0.000) 9.513 18.078 ( -4.345 0.000 0.000) 4.345 18.206 ( -2.991 0.000 0.000) 2.991 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -21.127 0.000 0.000) 21.127 0.919 ( 21.127 0.000 0.000) 21.127 1.263 ( -24.930 0.000 0.000) 24.930 1.263 ( 24.930 0.000 0.000) 24.930 2.166 ( -40.802 0.000 0.000) 40.802 2.166 ( 40.802 0.000 0.000) 40.802 2.365 ( -10.182 0.000 0.000) 10.182 2.365 ( 10.182 0.000 0.000) 10.182 2.548 ( -15.752 0.000 0.000) 15.752 2.548 ( 15.752 0.000 0.000) 15.752 2.780 ( -6.365 0.000 0.000) 6.365 2.780 ( 6.365 0.000 0.000) 6.365 2.822 ( -4.936 0.000 0.000) 4.936 2.822 ( 4.936 0.000 0.000) 4.936 3.054 ( -0.987 0.000 0.000) 0.987 3.054 ( 0.987 0.000 0.000) 0.987 3.194 ( -6.496 0.000 0.000) 6.496 3.194 ( 6.496 0.000 0.000) 6.496 3.523 ( -7.085 0.000 0.000) 7.085 3.523 ( 7.085 0.000 0.000) 7.085 3.560 ( -6.052 0.000 0.000) 6.052 3.560 ( 6.052 0.000 0.000) 6.052 3.598 ( -3.596 0.000 0.000) 3.596 3.598 ( 3.596 0.000 0.000) 3.596 3.723 ( -9.858 0.000 0.000) 9.858 3.723 ( 9.858 0.000 0.000) 9.858 4.090 ( -0.015 0.000 0.000) 0.015 4.090 ( 0.015 0.000 0.000) 0.015 4.236 ( -13.133 0.000 0.000) 13.133 4.236 ( 13.133 0.000 0.000) 13.133 4.463 ( -0.905 0.000 0.000) 0.905 4.463 ( 0.905 0.000 0.000) 0.905 4.493 ( -7.933 0.000 0.000) 7.933 4.493 ( 7.933 0.000 0.000) 7.933 4.902 ( -4.503 0.000 0.000) 4.503 4.902 ( 4.503 0.000 0.000) 4.503 4.923 ( -8.983 0.000 0.000) 8.983 4.923 ( 8.983 0.000 0.000) 8.983 5.173 ( -6.383 0.000 0.000) 6.383 5.173 ( 6.383 0.000 0.000) 6.383 5.480 ( -0.390 0.000 0.000) 0.390 5.480 ( 0.390 0.000 0.000) 0.390 5.526 ( -10.344 0.000 0.000) 10.344 5.526 ( 10.344 0.000 0.000) 10.344 5.694 ( -4.198 0.000 0.000) 4.198 5.694 ( 4.198 0.000 0.000) 4.198 6.268 ( -4.733 0.000 0.000) 4.733 6.268 ( 4.733 0.000 0.000) 4.733 6.717 ( -11.020 0.000 0.000) 11.020 6.717 ( 11.020 0.000 0.000) 11.020 7.162 ( -1.129 0.000 0.000) 1.129 7.162 ( 1.129 0.000 0.000) 1.129 7.368 ( -11.782 0.000 0.000) 11.782 7.368 ( 11.782 0.000 0.000) 11.782 7.529 ( -2.483 0.000 0.000) 2.483 7.529 ( 2.483 0.000 0.000) 2.483 7.720 ( -8.238 0.000 0.000) 8.238 7.720 ( 8.238 0.000 0.000) 8.238 8.251 ( -0.743 0.000 0.000) 0.743 8.251 ( 0.743 0.000 0.000) 0.743 8.368 ( -8.532 0.000 0.000) 8.532 8.368 ( 8.532 0.000 0.000) 8.532 8.798 ( -3.829 0.000 0.000) 3.829 8.798 ( 3.829 0.000 0.000) 3.829 9.104 ( -1.400 0.000 0.000) 1.400 9.104 ( 1.400 0.000 0.000) 1.400 9.141 ( -10.611 0.000 0.000) 10.611 9.141 ( 10.611 0.000 0.000) 10.611 9.282 ( -3.435 0.000 0.000) 3.435 9.282 ( 3.435 0.000 0.000) 3.435 10.248 ( -13.270 0.000 0.000) 13.270 10.248 ( 13.270 0.000 0.000) 13.270 10.294 ( -0.815 0.000 0.000) 0.815 10.294 ( 0.815 0.000 0.000) 0.815 11.156 ( -1.379 0.000 0.000) 1.379 11.156 ( 1.379 0.000 0.000) 1.379 11.240 ( -10.290 0.000 0.000) 10.290 11.240 ( 10.290 0.000 0.000) 10.290 11.492 ( -1.647 0.000 0.000) 1.647 11.492 ( 1.647 0.000 0.000) 1.647 11.601 ( -17.433 0.000 0.000) 17.433 11.601 ( 17.433 0.000 0.000) 17.433 11.721 ( -3.129 0.000 0.000) 3.129 11.721 ( 3.129 0.000 0.000) 3.129 12.638 ( -4.395 0.000 0.000) 4.395 12.638 ( 4.395 0.000 0.000) 4.395 13.119 ( -0.083 0.000 0.000) 0.083 13.119 ( 0.083 0.000 0.000) 0.083 13.735 ( -0.591 0.000 0.000) 0.591 13.735 ( 0.591 0.000 0.000) 0.591 13.800 ( -2.716 0.000 0.000) 2.716 13.800 ( 2.716 0.000 0.000) 2.716 14.423 ( -8.244 0.000 0.000) 8.244 14.423 ( 8.244 0.000 0.000) 8.244 14.734 ( -9.545 0.000 0.000) 9.545 14.734 ( 9.545 0.000 0.000) 9.545 15.561 ( -8.903 0.000 0.000) 8.903 15.561 ( 8.903 0.000 0.000) 8.903 15.954 ( -1.441 0.000 0.000) 1.441 15.954 ( 1.441 0.000 0.000) 1.441 16.914 ( -11.406 0.000 0.000) 11.406 16.914 ( 11.406 0.000 0.000) 11.406 17.125 ( -8.199 0.000 0.000) 8.199 17.125 ( 8.199 0.000 0.000) 8.199 17.954 ( -7.456 0.000 0.000) 7.456 17.954 ( 7.456 0.000 0.000) 7.456 18.110 ( -6.423 0.000 0.000) 6.423 18.110 ( 6.423 0.000 0.000) 6.423 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 0.000 22.859 0.000) 22.859 0.511 ( 0.000 25.823 0.000) 25.823 1.199 ( 0.000 59.101 0.000) 59.101 1.892 ( 0.000 20.098 0.000) 20.098 1.895 ( 0.000 2.111 0.000) 2.111 2.068 ( 0.000 13.625 0.000) 13.625 2.246 ( 0.000 -0.110 0.000) 0.110 2.390 ( 0.000 1.884 0.000) 1.884 2.688 ( 0.000 2.732 0.000) 2.732 2.702 ( 0.000 -4.041 0.000) 4.041 2.810 ( 0.000 -3.094 0.000) 3.094 2.957 ( 0.000 -3.652 0.000) 3.652 2.993 ( 0.000 2.205 0.000) 2.205 3.005 ( 0.000 -5.567 0.000) 5.567 3.047 ( 0.000 8.442 0.000) 8.442 3.182 ( 0.000 -3.051 0.000) 3.051 3.283 ( 0.000 -4.418 0.000) 4.418 3.287 ( 0.000 -8.696 0.000) 8.696 3.437 ( 0.000 5.336 0.000) 5.336 3.458 ( 0.000 2.808 0.000) 2.808 3.657 ( 0.000 -3.436 0.000) 3.436 3.658 ( 0.000 -1.851 0.000) 1.851 3.717 ( 0.000 -8.637 0.000) 8.637 3.760 ( 0.000 0.680 0.000) 0.680 3.814 ( 0.000 11.383 0.000) 11.383 3.918 ( 0.000 2.482 0.000) 2.482 4.017 ( 0.000 -3.133 0.000) 3.133 4.077 ( 0.000 11.440 0.000) 11.440 4.092 ( 0.000 -2.319 0.000) 2.319 4.129 ( 0.000 -1.580 0.000) 1.580 4.387 ( 0.000 -7.063 0.000) 7.063 4.560 ( 0.000 -3.479 0.000) 3.479 4.632 ( 0.000 3.092 0.000) 3.092 4.684 ( 0.000 20.787 0.000) 20.787 4.712 ( 0.000 -3.759 0.000) 3.759 4.878 ( 0.000 21.135 0.000) 21.135 4.878 ( 0.000 18.383 0.000) 18.383 5.120 ( 0.000 4.304 0.000) 4.304 5.160 ( 0.000 2.299 0.000) 2.299 5.162 ( 0.000 6.804 0.000) 6.804 5.338 ( 0.000 14.169 0.000) 14.169 5.503 ( 0.000 -0.454 0.000) 0.454 5.540 ( 0.000 -0.186 0.000) 0.186 5.590 ( 0.000 -3.112 0.000) 3.112 5.780 ( 0.000 12.522 0.000) 12.522 5.805 ( 0.000 5.017 0.000) 5.017 6.337 ( 0.000 -1.855 0.000) 1.855 6.412 ( 0.000 6.844 0.000) 6.844 6.506 ( 0.000 37.165 0.000) 37.165 6.849 ( 0.000 6.897 0.000) 6.897 7.207 ( 0.000 4.515 0.000) 4.515 7.221 ( 0.000 -0.729 0.000) 0.729 7.389 ( 0.000 -2.334 0.000) 2.334 7.564 ( 0.000 -2.100 0.000) 2.100 7.677 ( 0.000 18.579 0.000) 18.579 7.803 ( 0.000 -2.147 0.000) 2.147 7.966 ( 0.000 -7.509 0.000) 7.509 8.216 ( 0.000 -3.205 0.000) 3.205 8.217 ( 0.000 -3.368 0.000) 3.368 8.393 ( 0.000 13.063 0.000) 13.063 8.438 ( 0.000 5.510 0.000) 5.510 8.489 ( 0.000 4.671 0.000) 4.671 8.547 ( 0.000 6.923 0.000) 6.923 8.711 ( 0.000 0.394 0.000) 0.394 8.818 ( 0.000 -2.123 0.000) 2.123 9.106 ( 0.000 15.806 0.000) 15.806 9.371 ( 0.000 19.395 0.000) 19.395 9.393 ( 0.000 -1.009 0.000) 1.009 9.429 ( 0.000 17.976 0.000) 17.976 9.713 ( 0.000 5.585 0.000) 5.585 9.747 ( 0.000 3.560 0.000) 3.560 10.303 ( 0.000 -5.522 0.000) 5.522 10.677 ( 0.000 8.032 0.000) 8.032 10.691 ( 0.000 0.725 0.000) 0.725 10.752 ( 0.000 -3.978 0.000) 3.978 10.764 ( 0.000 -1.315 0.000) 1.315 11.019 ( 0.000 7.450 0.000) 7.450 11.051 ( 0.000 16.777 0.000) 16.777 11.443 ( 0.000 2.943 0.000) 2.943 11.632 ( 0.000 3.065 0.000) 3.065 11.710 ( 0.000 -1.846 0.000) 1.846 11.745 ( 0.000 12.224 0.000) 12.224 11.921 ( 0.000 7.825 0.000) 7.825 12.121 ( 0.000 0.871 0.000) 0.871 12.554 ( 0.000 9.536 0.000) 9.536 12.662 ( 0.000 -1.499 0.000) 1.499 12.811 ( 0.000 6.601 0.000) 6.601 13.148 ( 0.000 -1.895 0.000) 1.895 13.643 ( 0.000 -2.094 0.000) 2.094 13.675 ( 0.000 -3.334 0.000) 3.334 13.753 ( 0.000 -5.245 0.000) 5.245 13.970 ( 0.000 0.241 0.000) 0.241 14.140 ( 0.000 -1.366 0.000) 1.366 14.607 ( 0.000 0.099 0.000) 0.099 14.742 ( 0.000 0.808 0.000) 0.808 14.961 ( 0.000 -0.028 0.000) 0.028 15.347 ( 0.000 -0.554 0.000) 0.554 15.826 ( 0.000 -5.430 0.000) 5.430 15.866 ( 0.000 -4.968 0.000) 4.968 16.513 ( 0.000 -0.897 0.000) 0.897 16.547 ( 0.000 -4.239 0.000) 4.239 16.728 ( 0.000 4.238 0.000) 4.238 17.121 ( 0.000 -4.888 0.000) 4.888 17.504 ( 0.000 -4.327 0.000) 4.327 17.683 ( 0.000 -5.935 0.000) 5.935 17.692 ( 0.000 -6.255 0.000) 6.255 18.059 ( 0.000 -3.292 0.000) 3.292 18.193 ( 0.000 -4.473 0.000) 4.473 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 24.282 14.732 0.000) 28.402 0.957 ( 25.847 19.413 0.000) 32.326 1.436 ( 25.099 39.114 0.000) 46.475 1.650 ( -14.888 25.149 0.000) 29.226 1.764 ( -10.391 5.247 0.000) 11.641 2.261 ( 7.269 2.901 0.000) 7.826 2.273 ( 2.003 -1.100 0.000) 2.285 2.429 ( 6.522 8.271 0.000) 10.533 2.706 ( 1.585 1.956 0.000) 2.518 2.717 ( 1.244 -3.504 0.000) 3.718 2.880 ( 0.638 -0.126 0.000) 0.650 2.907 ( -6.729 0.094 0.000) 6.730 2.925 ( -4.438 -3.957 0.000) 5.946 2.959 ( -4.087 3.433 0.000) 5.338 2.988 ( 0.680 -1.510 0.000) 1.656 3.133 ( -4.152 -0.666 0.000) 4.205 3.159 ( -20.512 0.237 0.000) 20.514 3.317 ( -22.274 -3.006 0.000) 22.476 3.356 ( 6.362 -6.309 0.000) 8.959 3.456 ( 5.302 3.745 0.000) 6.491 3.560 ( 6.599 2.964 0.000) 7.234 3.604 ( -3.825 -3.122 0.000) 4.937 3.682 ( -1.842 1.500 0.000) 2.376 3.689 ( -1.017 7.907 0.000) 7.972 3.701 ( -1.500 -6.135 0.000) 6.315 3.935 ( -6.614 7.460 0.000) 9.970 4.000 ( 11.280 2.437 0.000) 11.540 4.082 ( -0.573 -1.668 0.000) 1.763 4.087 ( -1.335 -0.594 0.000) 1.462 4.314 ( -0.827 -2.930 0.000) 3.045 4.498 ( -7.971 -3.510 0.000) 8.710 4.517 ( -4.306 -3.130 0.000) 5.324 4.555 ( 15.978 1.927 0.000) 16.094 4.715 ( 1.486 20.067 0.000) 20.122 4.824 ( 1.398 18.706 0.000) 18.759 4.944 ( 10.630 3.507 0.000) 11.193 4.972 ( 6.501 12.625 0.000) 14.201 5.070 ( -4.815 4.446 0.000) 6.554 5.122 ( -3.304 5.246 0.000) 6.200 5.208 ( 1.855 2.357 0.000) 2.999 5.399 ( 5.237 9.086 0.000) 10.487 5.482 ( 0.441 0.690 0.000) 0.819 5.517 ( -1.865 0.309 0.000) 1.890 5.656 ( 4.511 2.032 0.000) 4.947 5.746 ( -5.229 5.691 0.000) 7.729 5.794 ( -0.702 7.835 0.000) 7.866 6.338 ( 0.087 -0.774 0.000) 0.779 6.352 ( -1.790 11.099 0.000) 11.242 6.690 ( 14.010 27.471 0.000) 30.837 7.038 ( 14.312 5.611 0.000) 15.372 7.192 ( -1.859 1.079 0.000) 2.149 7.219 ( 2.986 6.325 0.000) 6.995 7.333 ( -8.195 23.053 0.000) 24.467 7.466 ( -0.602 5.272 0.000) 5.307 7.550 ( -1.130 -1.894 0.000) 2.206 7.667 ( -18.569 7.448 0.000) 20.007 7.839 ( -11.681 -2.443 0.000) 11.934 8.071 ( -14.570 1.212 0.000) 14.620 8.202 ( 0.361 -1.811 0.000) 1.846 8.280 ( -4.914 1.806 0.000) 5.235 8.295 ( -0.026 4.691 0.000) 4.691 8.508 ( -3.055 -2.013 0.000) 3.658 8.737 ( 7.139 3.814 0.000) 8.094 8.810 ( 12.998 9.111 0.000) 15.873 8.899 ( 7.293 -2.350 0.000) 7.662 9.059 ( 2.247 8.265 0.000) 8.565 9.359 ( -0.995 19.828 0.000) 19.853 9.376 ( -0.693 1.205 0.000) 1.390 9.409 ( -1.715 16.054 0.000) 16.145 9.507 ( -3.598 19.456 0.000) 19.786 10.139 ( 2.565 2.177 0.000) 3.364 10.394 ( -11.104 2.066 0.000) 11.295 10.433 ( 2.854 -2.251 0.000) 3.635 10.643 ( -9.702 8.474 0.000) 12.882 10.968 ( 14.993 -7.344 0.000) 16.696 10.981 ( 10.671 -0.507 0.000) 10.683 11.075 ( 10.495 1.561 0.000) 10.611 11.129 ( 6.879 11.431 0.000) 13.341 11.463 ( 2.088 2.512 0.000) 3.267 11.608 ( -1.902 4.775 0.000) 5.139 11.653 ( -4.435 3.157 0.000) 5.444 11.755 ( 1.066 10.009 0.000) 10.066 11.862 ( -3.454 8.491 0.000) 9.167 11.965 ( -13.423 1.151 0.000) 13.472 12.599 ( 3.548 7.112 0.000) 7.947 12.685 ( 0.906 0.007 0.000) 0.906 12.944 ( 6.624 -6.937 0.000) 9.592 13.112 ( -3.157 -3.145 0.000) 4.456 13.677 ( 3.348 -1.245 0.000) 3.572 13.686 ( 1.114 -3.973 0.000) 4.126 13.744 ( -0.882 -5.170 0.000) 5.244 13.917 ( -5.416 0.204 0.000) 5.420 14.217 ( 6.718 -0.702 0.000) 6.755 14.545 ( -5.750 -0.739 0.000) 5.797 14.663 ( -0.658 5.643 0.000) 5.682 14.897 ( -5.747 -0.298 0.000) 5.755 15.402 ( 5.050 -0.962 0.000) 5.140 15.721 ( -8.353 -3.929 0.000) 9.231 15.903 ( 3.406 -2.362 0.000) 4.145 16.182 ( -13.555 10.930 0.000) 17.413 16.650 ( 10.778 -0.115 0.000) 10.778 16.915 ( 6.648 -6.996 0.000) 9.651 17.035 ( -6.746 -5.712 0.000) 8.839 17.333 ( -12.938 -2.522 0.000) 13.181 17.717 ( 7.854 -7.566 0.000) 10.906 17.894 ( 9.744 -4.763 0.000) 10.846 18.023 ( -4.174 -4.809 0.000) 6.368 18.162 ( -3.042 -4.456 0.000) 5.396 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -4.878 15.868 0.000) 16.601 1.333 ( 4.878 15.868 0.000) 16.601 1.343 ( -2.233 21.778 0.000) 21.893 1.343 ( 2.233 21.778 0.000) 21.893 2.229 ( -23.501 6.664 0.000) 24.428 2.229 ( 23.501 6.664 0.000) 24.428 2.363 ( -20.285 3.016 0.000) 20.508 2.363 ( 20.285 3.016 0.000) 20.508 2.668 ( -13.148 8.378 0.000) 15.590 2.668 ( 13.148 8.378 0.000) 15.590 2.746 ( -0.089 -1.463 0.000) 1.465 2.746 ( 0.089 -1.463 0.000) 1.465 2.871 ( -1.100 2.714 0.000) 2.928 2.871 ( 1.100 2.714 0.000) 2.928 3.023 ( -0.265 -2.709 0.000) 2.722 3.023 ( 0.265 -2.709 0.000) 2.722 3.112 ( -5.694 -5.392 0.000) 7.842 3.112 ( 5.694 -5.392 0.000) 7.842 3.494 ( -6.595 -4.919 0.000) 8.227 3.494 ( 6.595 -4.919 0.000) 8.227 3.589 ( -5.973 1.580 0.000) 6.179 3.589 ( 5.973 1.580 0.000) 6.179 3.668 ( -2.801 0.500 0.000) 2.845 3.668 ( 2.801 0.500 0.000) 2.845 3.769 ( -8.503 8.392 0.000) 11.947 3.769 ( 8.503 8.392 0.000) 11.947 4.059 ( -0.014 -2.544 0.000) 2.544 4.059 ( 0.014 -2.544 0.000) 2.544 4.248 ( -10.378 0.223 0.000) 10.380 4.248 ( 10.378 0.223 0.000) 10.380 4.414 ( -3.968 -4.192 0.000) 5.772 4.414 ( 3.968 -4.192 0.000) 5.772 4.721 ( -1.689 19.422 0.000) 19.496 4.721 ( 1.689 19.422 0.000) 19.496 4.935 ( -7.806 5.843 0.000) 9.751 4.935 ( 7.806 5.843 0.000) 9.751 5.041 ( -4.028 9.016 0.000) 9.875 5.041 ( 4.028 9.016 0.000) 9.875 5.170 ( -6.257 0.232 0.000) 6.261 5.170 ( 6.257 0.232 0.000) 6.261 5.471 ( -2.281 -0.891 0.000) 2.449 5.471 ( 2.281 -0.891 0.000) 2.449 5.595 ( -8.578 7.110 0.000) 11.142 5.595 ( 8.578 7.110 0.000) 11.142 5.744 ( -3.709 6.783 0.000) 7.731 5.744 ( 3.709 6.783 0.000) 7.731 6.339 ( -0.080 3.865 0.000) 3.865 6.339 ( 0.080 3.865 0.000) 3.865 7.056 ( -19.710 31.910 0.000) 37.507 7.056 ( 19.710 31.910 0.000) 37.507 7.162 ( -1.360 0.769 0.000) 1.563 7.162 ( 1.360 0.769 0.000) 1.563 7.406 ( -5.410 2.166 0.000) 5.828 7.406 ( 5.410 2.166 0.000) 5.828 7.536 ( -2.501 2.457 0.000) 3.506 7.536 ( 2.501 2.457 0.000) 3.506 7.726 ( -11.156 1.011 0.000) 11.202 7.726 ( 11.156 1.011 0.000) 11.202 8.230 ( -1.464 -2.088 0.000) 2.550 8.230 ( 1.464 -2.088 0.000) 2.550 8.371 ( -6.681 0.839 0.000) 6.733 8.371 ( 6.681 0.839 0.000) 6.733 8.913 ( -4.306 9.441 0.000) 10.376 8.913 ( 4.306 9.441 0.000) 10.376 9.057 ( -5.251 -1.166 0.000) 5.379 9.057 ( 5.251 -1.166 0.000) 5.379 9.368 ( -1.180 7.518 0.000) 7.610 9.368 ( 1.180 7.518 0.000) 7.610 9.388 ( -4.991 20.359 0.000) 20.962 9.388 ( 4.991 20.359 0.000) 20.962 10.275 ( -3.615 4.076 0.000) 5.448 10.275 ( 3.615 4.076 0.000) 5.448 10.408 ( -7.596 10.137 0.000) 12.667 10.408 ( 7.596 10.137 0.000) 12.667 11.142 ( -2.928 -6.082 0.000) 6.750 11.142 ( 2.928 -6.082 0.000) 6.750 11.207 ( -1.409 4.183 0.000) 4.413 11.207 ( 1.409 4.183 0.000) 4.413 11.581 ( -1.133 4.948 0.000) 5.076 11.581 ( 1.133 4.948 0.000) 5.076 11.650 ( -13.512 4.709 0.000) 14.310 11.650 ( 13.512 4.709 0.000) 14.310 11.796 ( -2.853 8.343 0.000) 8.818 11.796 ( 2.853 8.343 0.000) 8.818 12.668 ( -2.499 3.151 0.000) 4.022 12.668 ( 2.499 3.151 0.000) 4.022 13.037 ( -3.693 -6.240 0.000) 7.251 13.037 ( 3.693 -6.240 0.000) 7.251 13.716 ( -1.550 -4.252 0.000) 4.526 13.716 ( 1.550 -4.252 0.000) 4.526 13.782 ( -6.415 -0.181 0.000) 6.418 13.782 ( 6.415 -0.181 0.000) 6.418 14.388 ( -8.861 -1.667 0.000) 9.016 14.388 ( 8.861 -1.667 0.000) 9.016 14.754 ( -7.225 1.079 0.000) 7.305 14.754 ( 7.225 1.079 0.000) 7.305 15.542 ( -8.233 -2.100 0.000) 8.497 15.542 ( 8.233 -2.100 0.000) 8.497 16.000 ( -6.050 3.648 0.000) 7.064 16.000 ( 6.050 3.648 0.000) 7.064 16.873 ( -9.370 -4.486 0.000) 10.388 16.873 ( 9.370 -4.486 0.000) 10.388 17.077 ( -10.522 -3.576 0.000) 11.113 17.077 ( 10.522 -3.576 0.000) 11.113 17.892 ( -8.044 -5.984 0.000) 10.026 17.892 ( 8.044 -5.984 0.000) 10.026 18.064 ( -6.539 -4.562 0.000) 7.973 18.064 ( 6.539 -4.562 0.000) 7.973 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.000 23.397 0.000) 23.397 1.014 ( 0.000 24.950 0.000) 24.950 1.934 ( 0.000 3.633 0.000) 3.633 2.243 ( 0.000 -0.291 0.000) 0.291 2.244 ( 0.000 2.373 0.000) 2.373 2.261 ( 0.000 15.041 0.000) 15.041 2.315 ( 0.000 50.262 0.000) 50.262 2.511 ( 0.000 9.371 0.000) 9.371 2.611 ( 0.000 -5.409 0.000) 5.409 2.726 ( 0.000 -5.176 0.000) 5.176 2.791 ( 0.000 7.363 0.000) 7.363 2.845 ( 0.000 -6.807 0.000) 6.807 2.912 ( 0.000 -1.899 0.000) 1.899 3.062 ( 0.000 -13.094 0.000) 13.094 3.127 ( 0.000 10.852 0.000) 10.852 3.128 ( 0.000 -1.576 0.000) 1.576 3.196 ( 0.000 -3.473 0.000) 3.473 3.245 ( 0.000 9.505 0.000) 9.505 3.407 ( 0.000 -14.953 0.000) 14.953 3.505 ( 0.000 1.690 0.000) 1.690 3.526 ( 0.000 3.454 0.000) 3.454 3.567 ( 0.000 -7.222 0.000) 7.222 3.664 ( 0.000 -0.735 0.000) 0.735 3.734 ( 0.000 -3.060 0.000) 3.060 3.887 ( 0.000 -4.297 0.000) 4.297 3.945 ( 0.000 -4.632 0.000) 4.632 4.015 ( 0.000 6.547 0.000) 6.547 4.036 ( 0.000 -3.242 0.000) 3.242 4.139 ( 0.000 1.745 0.000) 1.745 4.264 ( 0.000 -3.583 0.000) 3.583 4.322 ( 0.000 10.978 0.000) 10.978 4.605 ( 0.000 -6.846 0.000) 6.846 4.645 ( 0.000 -0.720 0.000) 0.720 4.655 ( 0.000 11.050 0.000) 11.050 5.102 ( 0.000 14.418 0.000) 14.418 5.124 ( 0.000 5.765 0.000) 5.765 5.199 ( 0.000 4.787 0.000) 4.787 5.218 ( 0.000 11.820 0.000) 11.820 5.262 ( 0.000 10.132 0.000) 10.132 5.277 ( 0.000 3.929 0.000) 3.929 5.487 ( 0.000 -0.819 0.000) 0.819 5.536 ( 0.000 -0.214 0.000) 0.214 5.550 ( 0.000 1.051 0.000) 1.051 5.872 ( 0.000 33.389 0.000) 33.389 5.994 ( 0.000 15.680 0.000) 15.680 6.087 ( 0.000 6.671 0.000) 6.671 6.329 ( 0.000 10.655 0.000) 10.655 6.538 ( 0.000 5.890 0.000) 5.890 7.089 ( 0.000 16.002 0.000) 16.002 7.204 ( 0.000 -0.619 0.000) 0.619 7.337 ( 0.000 -2.865 0.000) 2.865 7.342 ( 0.000 9.620 0.000) 9.620 7.428 ( 0.000 48.591 0.000) 48.591 7.510 ( 0.000 -2.829 0.000) 2.829 7.740 ( 0.000 -4.239 0.000) 4.239 7.851 ( 0.000 -4.464 0.000) 4.464 8.054 ( 0.000 8.080 0.000) 8.080 8.142 ( 0.000 -3.987 0.000) 3.987 8.193 ( 0.000 8.214 0.000) 8.214 8.593 ( 0.000 11.801 0.000) 11.801 8.605 ( 0.000 6.113 0.000) 6.113 8.638 ( 0.000 10.875 0.000) 10.875 8.668 ( 0.000 3.529 0.000) 3.529 8.730 ( 0.000 1.633 0.000) 1.633 8.822 ( 0.000 5.403 0.000) 5.403 9.314 ( 0.000 -6.677 0.000) 6.677 9.375 ( 0.000 9.037 0.000) 9.037 9.826 ( 0.000 23.226 0.000) 23.226 9.858 ( 0.000 23.046 0.000) 23.046 9.873 ( 0.000 9.813 0.000) 9.813 10.028 ( 0.000 18.908 0.000) 18.908 10.221 ( 0.000 5.501 0.000) 5.501 10.649 ( 0.000 -6.376 0.000) 6.376 10.688 ( 0.000 -3.509 0.000) 3.509 10.833 ( 0.000 13.617 0.000) 13.617 10.977 ( 0.000 19.961 0.000) 19.961 11.157 ( 0.000 4.563 0.000) 4.563 11.447 ( 0.000 23.322 0.000) 23.322 11.538 ( 0.000 6.770 0.000) 6.770 11.722 ( 0.000 6.078 0.000) 6.078 11.752 ( 0.000 7.567 0.000) 7.567 12.052 ( 0.000 16.666 0.000) 16.666 12.094 ( 0.000 9.546 0.000) 9.546 12.147 ( 0.000 2.668 0.000) 2.668 12.637 ( 0.000 -0.806 0.000) 0.806 12.769 ( 0.000 10.118 0.000) 10.118 12.960 ( 0.000 7.266 0.000) 7.266 13.046 ( 0.000 -9.404 0.000) 9.404 13.566 ( 0.000 -7.932 0.000) 7.932 13.597 ( 0.000 -10.632 0.000) 10.632 13.608 ( 0.000 -0.960 0.000) 0.960 14.030 ( 0.000 7.537 0.000) 7.537 14.073 ( 0.000 -5.995 0.000) 5.995 14.630 ( 0.000 2.630 0.000) 2.630 14.779 ( 0.000 3.207 0.000) 3.207 14.983 ( 0.000 2.941 0.000) 2.941 15.314 ( 0.000 -3.623 0.000) 3.623 15.676 ( 0.000 -9.457 0.000) 9.457 15.745 ( 0.000 -6.116 0.000) 6.116 16.292 ( 0.000 -16.098 0.000) 16.098 16.629 ( 0.000 7.548 0.000) 7.548 16.848 ( 0.000 7.772 0.000) 7.772 16.975 ( 0.000 -9.833 0.000) 9.833 17.329 ( 0.000 -13.555 0.000) 13.555 17.535 ( 0.000 -8.713 0.000) 8.713 17.567 ( 0.000 -5.249 0.000) 5.249 17.961 ( 0.000 -6.626 0.000) 6.626 18.059 ( 0.000 -9.096 0.000) 9.096 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 14.918 19.805 0.000) 24.795 1.264 ( 27.549 15.733 0.000) 31.725 1.834 ( -9.710 6.273 0.000) 11.560 2.112 ( -10.223 18.391 0.000) 21.042 2.252 ( 0.780 -0.934 0.000) 1.217 2.276 ( -0.038 0.190 0.000) 0.194 2.387 ( 7.758 42.825 0.000) 43.522 2.572 ( 4.026 3.218 0.000) 5.154 2.635 ( 1.988 -3.019 0.000) 3.615 2.779 ( 4.899 -6.313 0.000) 7.991 2.822 ( 3.267 8.970 0.000) 9.546 2.838 ( -1.310 -5.886 0.000) 6.030 2.857 ( -2.673 -3.093 0.000) 4.088 3.052 ( -5.383 5.277 0.000) 7.538 3.090 ( -4.228 4.771 0.000) 6.375 3.131 ( 0.158 -1.790 0.000) 1.797 3.132 ( -5.434 -3.802 0.000) 6.632 3.194 ( 1.884 -4.010 0.000) 4.430 3.329 ( -22.047 5.883 0.000) 22.819 3.474 ( -1.303 -8.952 0.000) 9.046 3.531 ( 2.844 3.149 0.000) 4.244 3.584 ( -6.388 -1.629 0.000) 6.593 3.595 ( 4.076 0.479 0.000) 4.104 3.702 ( -2.803 0.783 0.000) 2.910 3.756 ( 3.397 -0.177 0.000) 3.402 3.964 ( 6.072 -5.779 0.000) 8.382 3.970 ( -0.186 -3.546 0.000) 3.550 4.034 ( 0.479 -3.660 0.000) 3.691 4.131 ( -9.036 1.079 0.000) 9.100 4.341 ( 1.462 3.917 0.000) 4.181 4.385 ( -7.339 -4.381 0.000) 8.547 4.585 ( 18.610 1.824 0.000) 18.700 4.596 ( -5.406 9.961 0.000) 11.333 4.928 ( 14.620 -0.798 0.000) 14.641 5.112 ( -4.525 11.088 0.000) 11.975 5.150 ( 2.142 7.102 0.000) 7.418 5.154 ( 0.551 5.755 0.000) 5.781 5.221 ( 0.247 10.850 0.000) 10.853 5.244 ( -1.335 8.974 0.000) 9.073 5.279 ( -1.136 4.075 0.000) 4.231 5.434 ( -0.903 -0.903 0.000) 1.277 5.508 ( -2.485 -0.330 0.000) 2.507 5.692 ( 8.540 3.687 0.000) 9.302 5.879 ( 1.223 29.257 0.000) 29.282 5.950 ( -3.965 15.978 0.000) 16.462 6.045 ( -3.865 7.766 0.000) 8.675 6.361 ( 3.078 10.235 0.000) 10.688 6.521 ( -2.195 8.127 0.000) 8.418 7.135 ( 3.892 10.892 0.000) 11.566 7.197 ( -0.514 0.584 0.000) 0.778 7.349 ( 1.680 10.692 0.000) 10.823 7.359 ( 1.774 -3.376 0.000) 3.813 7.493 ( 0.232 11.312 0.000) 11.315 7.560 ( 9.444 18.570 0.000) 20.833 7.589 ( -7.089 -0.633 0.000) 7.117 7.844 ( -0.053 10.201 0.000) 10.201 8.063 ( -3.535 -0.236 0.000) 3.543 8.144 ( 0.538 -3.326 0.000) 3.369 8.200 ( -12.863 31.664 0.000) 34.177 8.347 ( -12.154 6.105 0.000) 13.601 8.421 ( -6.328 7.968 0.000) 10.175 8.518 ( -5.788 3.547 0.000) 6.789 8.785 ( 11.341 2.147 0.000) 11.542 8.853 ( 8.105 -1.447 0.000) 8.233 9.012 ( 12.300 10.032 0.000) 15.872 9.223 ( -6.133 3.606 0.000) 7.114 9.403 ( 4.598 3.520 0.000) 5.791 9.717 ( -9.865 15.877 0.000) 18.692 9.873 ( 0.938 25.486 0.000) 25.503 10.030 ( -5.628 31.173 0.000) 31.677 10.193 ( 9.063 2.465 0.000) 9.392 10.365 ( 24.173 0.137 0.000) 24.174 10.516 ( -9.021 10.087 0.000) 13.533 10.816 ( 13.247 -8.039 0.000) 15.495 10.866 ( -1.114 12.183 0.000) 12.234 11.021 ( 0.407 8.440 0.000) 8.450 11.171 ( 2.876 5.776 0.000) 6.453 11.445 ( -0.150 19.893 0.000) 19.893 11.568 ( 3.543 7.595 0.000) 8.381 11.710 ( -1.204 6.118 0.000) 6.236 11.733 ( -1.709 7.386 0.000) 7.581 11.984 ( -12.703 1.438 0.000) 12.785 12.030 ( -1.578 14.843 0.000) 14.927 12.060 ( -2.419 10.390 0.000) 10.668 12.703 ( 4.197 2.222 0.000) 4.749 12.774 ( 0.350 9.160 0.000) 9.166 12.943 ( -1.398 3.658 0.000) 3.916 13.003 ( -3.625 -8.285 0.000) 9.043 13.561 ( -0.127 -8.707 0.000) 8.708 13.581 ( -0.533 -10.212 0.000) 10.226 13.662 ( 4.235 -1.118 0.000) 4.380 13.926 ( -6.335 0.795 0.000) 6.385 14.201 ( 8.001 -0.262 0.000) 8.005 14.557 ( -6.777 2.101 0.000) 7.096 14.755 ( -0.879 4.975 0.000) 5.052 14.896 ( -6.277 1.059 0.000) 6.365 15.364 ( 4.247 -3.227 0.000) 5.334 15.607 ( -5.830 -7.519 0.000) 9.514 15.847 ( 8.531 -2.894 0.000) 9.009 16.223 ( -6.719 -8.218 0.000) 10.615 16.667 ( 3.045 3.628 0.000) 4.737 16.871 ( -7.096 -10.418 0.000) 12.605 16.873 ( 4.262 3.471 0.000) 5.496 17.275 ( -11.076 -2.924 0.000) 11.455 17.506 ( 9.803 -13.409 0.000) 16.611 17.768 ( 9.534 -7.743 0.000) 12.283 17.896 ( -6.007 -8.158 0.000) 10.131 18.031 ( -2.885 -8.713 0.000) 9.178 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -15.906 11.964 0.000) 19.903 1.532 ( 15.906 11.964 0.000) 19.903 1.811 ( -19.563 16.556 0.000) 25.628 1.811 ( 19.563 16.556 0.000) 25.628 2.268 ( -0.655 -1.208 0.000) 1.374 2.268 ( 0.655 -1.208 0.000) 1.374 2.606 ( -4.476 1.173 0.000) 4.628 2.606 ( 4.476 1.173 0.000) 4.628 2.720 ( -11.642 14.163 0.000) 18.334 2.720 ( 11.642 14.163 0.000) 18.334 2.862 ( -6.734 2.267 0.000) 7.106 2.862 ( 6.734 2.267 0.000) 7.106 2.895 ( -1.522 -1.601 0.000) 2.209 2.895 ( 1.522 -1.601 0.000) 2.209 2.982 ( -0.798 6.657 0.000) 6.705 2.982 ( 0.798 6.657 0.000) 6.705 3.089 ( -0.416 5.943 0.000) 5.958 3.089 ( 0.416 5.943 0.000) 5.958 3.348 ( -8.880 -9.128 0.000) 12.735 3.348 ( 8.880 -9.128 0.000) 12.735 3.564 ( -0.162 -3.307 0.000) 3.311 3.564 ( 0.162 -3.307 0.000) 3.311 3.660 ( -2.385 -0.188 0.000) 2.393 3.660 ( 2.385 -0.188 0.000) 2.393 3.900 ( -9.099 3.335 0.000) 9.691 3.900 ( 9.099 3.335 0.000) 9.691 4.002 ( -0.014 -3.093 0.000) 3.093 4.002 ( 0.014 -3.093 0.000) 3.093 4.165 ( -9.811 -8.171 0.000) 12.768 4.165 ( 9.811 -8.171 0.000) 12.768 4.465 ( -6.478 8.279 0.000) 10.512 4.465 ( 6.478 8.279 0.000) 10.512 4.913 ( -13.012 2.870 0.000) 13.325 4.913 ( 13.012 2.870 0.000) 13.325 5.170 ( -6.615 7.072 0.000) 9.683 5.170 ( 6.615 7.072 0.000) 9.683 5.190 ( -1.602 4.658 0.000) 4.926 5.190 ( 1.602 4.658 0.000) 4.926 5.230 ( -1.228 8.664 0.000) 8.750 5.230 ( 1.228 8.664 0.000) 8.750 5.453 ( -2.266 -0.331 0.000) 2.290 5.453 ( 2.266 -0.331 0.000) 2.290 5.845 ( -6.077 13.311 0.000) 14.632 5.845 ( 6.077 13.311 0.000) 14.632 5.945 ( -5.043 14.625 0.000) 15.470 5.945 ( 5.043 14.625 0.000) 15.470 6.446 ( -4.542 10.129 0.000) 11.101 6.446 ( 4.542 10.129 0.000) 11.101 7.186 ( -0.819 2.927 0.000) 3.040 7.186 ( 0.819 2.927 0.000) 3.040 7.386 ( -0.046 -2.761 0.000) 2.761 7.386 ( 0.046 -2.761 0.000) 2.761 7.517 ( -1.523 3.678 0.000) 3.981 7.517 ( 1.523 3.678 0.000) 3.981 7.785 ( -14.612 8.260 0.000) 16.785 7.785 ( 14.612 8.260 0.000) 16.785 7.959 ( -11.065 38.792 0.000) 40.340 7.959 ( 11.065 38.792 0.000) 40.340 8.181 ( -3.651 -1.115 0.000) 3.817 8.181 ( 3.651 -1.115 0.000) 3.817 8.404 ( -3.722 2.245 0.000) 4.346 8.404 ( 3.722 2.245 0.000) 4.346 9.023 ( -3.328 0.179 0.000) 3.333 9.023 ( 3.328 0.179 0.000) 3.333 9.117 ( -1.955 8.028 0.000) 8.263 9.117 ( 1.955 8.028 0.000) 8.263 9.499 ( -7.199 5.798 0.000) 9.243 9.499 ( 7.199 5.798 0.000) 9.243 9.911 ( -3.535 27.788 0.000) 28.012 9.911 ( 3.535 27.788 0.000) 28.012 10.389 ( -5.720 8.900 0.000) 10.579 10.389 ( 5.720 8.900 0.000) 10.579 10.697 ( -13.051 18.582 0.000) 22.707 10.697 ( 13.051 18.582 0.000) 22.707 11.013 ( -2.298 -7.022 0.000) 7.389 11.013 ( 2.298 -7.022 0.000) 7.389 11.348 ( -11.046 9.437 0.000) 14.529 11.348 ( 11.046 9.437 0.000) 14.529 11.687 ( -2.005 7.251 0.000) 7.523 11.687 ( 2.005 7.251 0.000) 7.523 11.730 ( -8.293 3.363 0.000) 8.949 11.730 ( 8.293 3.363 0.000) 8.949 12.022 ( -1.001 12.463 0.000) 12.503 12.022 ( 1.001 12.463 0.000) 12.503 12.766 ( -1.689 6.738 0.000) 6.946 12.766 ( 1.689 6.738 0.000) 6.946 12.937 ( -1.708 -3.907 0.000) 4.264 12.937 ( 1.708 -3.907 0.000) 4.264 13.568 ( -0.679 -10.120 0.000) 10.143 13.568 ( 0.679 -10.120 0.000) 10.143 13.782 ( -7.042 -0.148 0.000) 7.044 13.782 ( 7.042 -0.148 0.000) 7.044 14.382 ( -9.274 0.606 0.000) 9.294 14.382 ( 9.274 0.606 0.000) 9.294 14.785 ( -3.851 3.232 0.000) 5.028 14.785 ( 3.851 3.232 0.000) 5.028 15.475 ( -6.303 -4.715 0.000) 7.871 15.475 ( 6.303 -4.715 0.000) 7.871 16.044 ( -9.789 -0.750 0.000) 9.818 16.044 ( 9.789 -0.750 0.000) 9.818 16.745 ( -4.813 -6.848 0.000) 8.371 16.745 ( 4.813 -6.848 0.000) 8.371 17.039 ( -10.753 0.346 0.000) 10.758 17.039 ( 10.753 0.346 0.000) 10.758 17.726 ( -10.100 -10.695 0.000) 14.710 17.726 ( 10.100 -10.695 0.000) 14.710 17.935 ( -6.486 -8.390 0.000) 10.605 17.935 ( 6.486 -8.390 0.000) 10.605 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.000 23.149 0.000) 23.149 1.488 ( 0.000 22.826 0.000) 22.826 1.993 ( 0.000 2.439 0.000) 2.439 2.230 ( 0.000 -1.093 0.000) 1.093 2.240 ( 0.000 -1.710 0.000) 1.710 2.474 ( 0.000 7.009 0.000) 7.009 2.511 ( 0.000 -3.730 0.000) 3.730 2.600 ( 0.000 -7.672 0.000) 7.672 2.650 ( 0.000 3.135 0.000) 3.135 2.718 ( 0.000 -4.997 0.000) 4.997 2.765 ( 0.000 -14.750 0.000) 14.750 2.862 ( 0.000 -1.367 0.000) 1.367 2.920 ( 0.000 1.943 0.000) 1.943 2.949 ( 0.000 5.235 0.000) 5.235 3.090 ( 0.000 -10.068 0.000) 10.068 3.297 ( 0.000 8.151 0.000) 8.151 3.368 ( 0.000 6.852 0.000) 6.852 3.379 ( 0.000 29.369 0.000) 29.369 3.394 ( 0.000 -4.815 0.000) 4.815 3.402 ( 0.000 6.223 0.000) 6.223 3.533 ( 0.000 2.618 0.000) 2.618 3.574 ( 0.000 1.651 0.000) 1.651 3.659 ( 0.000 0.289 0.000) 0.289 3.662 ( 0.000 -3.354 0.000) 3.354 3.757 ( 0.000 -6.655 0.000) 6.655 3.832 ( 0.000 -6.437 0.000) 6.437 3.990 ( 0.000 1.025 0.000) 1.025 4.132 ( 0.000 -1.606 0.000) 1.606 4.160 ( 0.000 7.562 0.000) 7.562 4.312 ( 0.000 6.789 0.000) 6.789 4.451 ( 0.000 -8.053 0.000) 8.053 4.479 ( 0.000 4.744 0.000) 4.744 4.608 ( 0.000 -3.102 0.000) 3.102 4.836 ( 0.000 4.611 0.000) 4.611 5.199 ( 0.000 2.583 0.000) 2.583 5.259 ( 0.000 5.805 0.000) 5.805 5.295 ( 0.000 -0.760 0.000) 0.760 5.298 ( 0.000 4.541 0.000) 4.541 5.347 ( 0.000 4.109 0.000) 4.109 5.444 ( 0.000 4.831 0.000) 4.831 5.482 ( 0.000 0.696 0.000) 0.696 5.527 ( 0.000 -0.804 0.000) 0.804 5.621 ( 0.000 2.604 0.000) 2.604 5.922 ( 0.000 -14.873 0.000) 14.873 6.417 ( 0.000 24.153 0.000) 24.153 6.485 ( 0.000 26.629 0.000) 26.629 6.675 ( 0.000 8.253 0.000) 8.253 6.752 ( 0.000 20.098 0.000) 20.098 7.231 ( 0.000 5.435 0.000) 5.435 7.287 ( 0.000 -1.754 0.000) 1.754 7.372 ( 0.000 11.293 0.000) 11.293 7.445 ( 0.000 -2.626 0.000) 2.626 7.608 ( 0.000 16.316 0.000) 16.316 7.631 ( 0.000 -6.871 0.000) 6.871 7.775 ( 0.000 -3.534 0.000) 3.534 7.982 ( 0.000 -0.761 0.000) 0.761 7.983 ( 0.000 -7.743 0.000) 7.743 8.141 ( 0.000 5.384 0.000) 5.384 8.424 ( 0.000 8.666 0.000) 8.666 8.690 ( 0.000 1.824 0.000) 1.824 8.758 ( 0.000 5.555 0.000) 5.555 8.769 ( 0.000 3.082 0.000) 3.082 8.797 ( 0.000 4.926 0.000) 4.926 8.944 ( 0.000 20.115 0.000) 20.115 9.135 ( 0.000 28.917 0.000) 28.917 9.144 ( 0.000 -9.472 0.000) 9.472 9.516 ( 0.000 4.837 0.000) 4.837 10.040 ( 0.000 -2.277 0.000) 2.277 10.143 ( 0.000 16.890 0.000) 16.890 10.165 ( 0.000 8.726 0.000) 8.726 10.276 ( 0.000 18.452 0.000) 18.452 10.502 ( 0.000 -8.157 0.000) 8.157 10.629 ( 0.000 -1.391 0.000) 1.391 10.767 ( 0.000 26.559 0.000) 26.559 11.190 ( 0.000 21.100 0.000) 21.100 11.208 ( 0.000 6.357 0.000) 6.357 11.440 ( 0.000 23.533 0.000) 23.533 11.705 ( 0.000 9.496 0.000) 9.496 11.884 ( 0.000 11.252 0.000) 11.252 11.903 ( 0.000 16.392 0.000) 16.392 12.007 ( 0.000 15.958 0.000) 15.958 12.191 ( 0.000 8.212 0.000) 8.212 12.297 ( 0.000 11.542 0.000) 11.542 12.441 ( 0.000 20.584 0.000) 20.584 12.627 ( 0.000 -0.961 0.000) 0.961 12.774 ( 0.000 -16.644 0.000) 16.644 12.818 ( 0.000 -7.272 0.000) 7.272 13.118 ( 0.000 9.090 0.000) 9.090 13.332 ( 0.000 -16.193 0.000) 16.193 13.363 ( 0.000 -11.982 0.000) 11.982 13.590 ( 0.000 -2.332 0.000) 2.332 13.896 ( 0.000 -11.693 0.000) 11.693 14.314 ( 0.000 20.942 0.000) 20.942 14.707 ( 0.000 4.584 0.000) 4.584 14.871 ( 0.000 6.048 0.000) 6.048 15.117 ( 0.000 11.484 0.000) 11.484 15.168 ( 0.000 -10.920 0.000) 10.920 15.467 ( 0.000 -11.184 0.000) 11.184 15.674 ( 0.000 -0.834 0.000) 0.834 15.904 ( 0.000 -22.833 0.000) 22.833 16.743 ( 0.000 -12.827 0.000) 12.827 16.830 ( 0.000 12.611 0.000) 12.611 17.006 ( 0.000 -18.010 0.000) 18.010 17.028 ( 0.000 10.176 0.000) 10.176 17.384 ( 0.000 -5.796 0.000) 5.796 17.464 ( 0.000 -5.291 0.000) 5.291 17.799 ( 0.000 -9.534 0.000) 9.534 17.837 ( 0.000 -13.066 0.000) 13.066 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 8.458 19.686 0.000) 21.426 1.602 ( 20.018 18.006 0.000) 26.925 1.952 ( -4.384 5.398 0.000) 6.954 2.227 ( -1.265 -1.634 0.000) 2.067 2.228 ( 0.011 -1.469 0.000) 1.469 2.422 ( -7.551 10.422 0.000) 12.870 2.517 ( 1.100 -4.091 0.000) 4.236 2.592 ( -2.876 -0.885 0.000) 3.010 2.646 ( 4.426 -7.085 0.000) 8.354 2.739 ( 1.229 -3.059 0.000) 3.297 2.790 ( -1.211 -4.826 0.000) 4.975 2.856 ( 0.311 -3.635 0.000) 3.648 2.857 ( -1.258 -4.302 0.000) 4.482 2.982 ( -8.062 -10.241 0.000) 13.034 3.015 ( 3.490 -2.468 0.000) 4.274 3.235 ( -3.332 12.687 0.000) 13.117 3.288 ( -7.934 -9.378 0.000) 12.284 3.297 ( -5.832 8.004 0.000) 9.903 3.417 ( 3.206 27.537 0.000) 27.723 3.448 ( 4.196 4.568 0.000) 6.203 3.572 ( -1.209 1.621 0.000) 2.022 3.592 ( 3.119 0.645 0.000) 3.185 3.652 ( -0.839 0.298 0.000) 0.891 3.748 ( 8.133 0.223 0.000) 8.136 3.824 ( 6.350 -6.629 0.000) 9.180 3.829 ( -15.482 16.782 0.000) 22.833 3.878 ( 3.182 -4.788 0.000) 5.749 3.982 ( -0.901 0.758 0.000) 1.177 4.114 ( -5.604 -1.661 0.000) 5.845 4.231 ( -12.095 -6.121 0.000) 13.556 4.491 ( 4.592 5.488 0.000) 7.156 4.626 ( 15.946 2.024 0.000) 16.074 4.772 ( -5.942 5.608 0.000) 8.171 4.883 ( 16.279 -3.968 0.000) 16.755 5.173 ( -7.880 1.226 0.000) 7.975 5.229 ( 2.556 2.511 0.000) 3.583 5.289 ( -2.381 4.586 0.000) 5.167 5.323 ( 2.121 0.585 0.000) 2.200 5.346 ( 0.863 4.207 0.000) 4.295 5.396 ( -4.602 3.643 0.000) 5.869 5.457 ( -0.791 2.882 0.000) 2.989 5.509 ( -1.652 0.191 0.000) 1.663 5.708 ( 6.373 -2.070 0.000) 6.700 5.907 ( -1.843 -13.027 0.000) 13.156 6.404 ( -0.685 24.100 0.000) 24.110 6.459 ( -2.270 26.188 0.000) 26.286 6.700 ( 1.799 9.529 0.000) 9.697 6.739 ( -0.897 18.417 0.000) 18.439 7.253 ( 1.935 6.813 0.000) 7.082 7.295 ( 0.836 -2.548 0.000) 2.682 7.349 ( -2.179 10.321 0.000) 10.549 7.382 ( -3.718 -1.554 0.000) 4.030 7.534 ( -5.471 -4.533 0.000) 7.106 7.645 ( -8.313 -0.909 0.000) 8.363 7.727 ( 8.913 12.601 0.000) 15.434 7.980 ( -0.593 -7.034 0.000) 7.059 8.018 ( 2.142 -5.107 0.000) 5.538 8.233 ( 7.711 4.282 0.000) 8.820 8.450 ( -17.336 6.000 0.000) 18.344 8.519 ( -1.503 2.893 0.000) 3.260 8.739 ( -1.785 20.371 0.000) 20.449 8.813 ( 4.303 6.792 0.000) 8.040 8.852 ( 6.909 1.317 0.000) 7.033 8.939 ( 5.619 22.860 0.000) 23.540 9.200 ( 0.398 -2.263 0.000) 2.298 9.255 ( 8.318 18.952 0.000) 20.697 9.498 ( 1.587 4.006 0.000) 4.309 10.012 ( -19.117 14.275 0.000) 23.859 10.114 ( 5.929 -2.619 0.000) 6.482 10.176 ( -0.289 4.144 0.000) 4.154 10.507 ( 25.409 9.276 0.000) 27.049 10.567 ( 9.565 0.553 0.000) 9.581 10.766 ( 8.395 7.207 0.000) 11.064 10.832 ( 5.437 24.683 0.000) 25.275 11.058 ( -10.524 17.786 0.000) 20.667 11.241 ( 4.496 3.767 0.000) 5.866 11.411 ( -6.838 23.016 0.000) 24.011 11.736 ( 2.875 8.969 0.000) 9.418 11.866 ( -3.102 18.247 0.000) 18.509 11.871 ( -4.256 10.862 0.000) 11.666 11.985 ( -14.619 1.457 0.000) 14.692 11.997 ( -1.589 17.659 0.000) 17.730 12.254 ( -2.871 9.454 0.000) 9.881 12.309 ( -5.938 11.734 0.000) 13.151 12.773 ( 4.144 -8.154 0.000) 9.147 12.802 ( 5.864 2.545 0.000) 6.392 12.821 ( 0.050 -6.779 0.000) 6.779 13.077 ( -4.123 10.322 0.000) 11.115 13.322 ( -0.533 -15.873 0.000) 15.882 13.340 ( -1.584 -13.589 0.000) 13.681 13.637 ( 4.180 -3.105 0.000) 5.207 13.856 ( -3.942 -9.472 0.000) 10.260 14.343 ( 3.097 16.623 0.000) 16.909 14.620 ( -7.841 4.523 0.000) 9.052 14.876 ( 0.590 7.187 0.000) 7.211 14.973 ( -5.740 6.054 0.000) 8.343 15.276 ( 4.420 -4.278 0.000) 6.151 15.433 ( -3.025 -9.712 0.000) 10.172 15.789 ( 8.108 -3.897 0.000) 8.996 15.914 ( 0.616 -20.964 0.000) 20.973 16.665 ( -2.873 -8.530 0.000) 9.001 16.812 ( -3.367 10.519 0.000) 11.045 17.014 ( 0.771 9.709 0.000) 9.740 17.188 ( 11.473 -14.571 0.000) 18.545 17.253 ( -5.790 -2.533 0.000) 6.320 17.598 ( 7.560 -9.160 0.000) 11.877 17.698 ( -8.329 -11.723 0.000) 14.381 17.824 ( -2.428 -12.000 0.000) 12.243 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -9.317 12.881 0.000) 15.898 1.784 ( 9.317 12.881 0.000) 15.898 2.071 ( -19.534 10.484 0.000) 22.169 2.071 ( 19.534 10.484 0.000) 22.169 2.242 ( -2.234 -0.554 0.000) 2.302 2.242 ( 2.234 -0.554 0.000) 2.302 2.557 ( -1.919 -2.094 0.000) 2.840 2.557 ( 1.919 -2.094 0.000) 2.840 2.748 ( -0.199 -3.482 0.000) 3.488 2.748 ( 0.199 -3.482 0.000) 3.488 2.767 ( -6.171 -6.253 0.000) 8.785 2.767 ( 6.171 -6.253 0.000) 8.785 2.890 ( -1.246 -5.420 0.000) 5.562 2.890 ( 1.246 -5.420 0.000) 5.562 3.120 ( -7.102 -10.996 0.000) 13.090 3.120 ( 7.102 -10.996 0.000) 13.090 3.214 ( -1.606 12.402 0.000) 12.506 3.214 ( 1.606 12.402 0.000) 12.506 3.516 ( -0.096 0.923 0.000) 0.928 3.516 ( 0.096 0.923 0.000) 0.928 3.552 ( -6.146 25.533 0.000) 26.263 3.552 ( 6.146 25.533 0.000) 26.263 3.645 ( -2.299 -1.397 0.000) 2.690 3.645 ( 2.299 -1.397 0.000) 2.690 3.940 ( -5.627 -2.112 0.000) 6.010 3.940 ( 5.627 -2.112 0.000) 6.010 3.949 ( -1.610 3.042 0.000) 3.442 3.949 ( 1.610 3.042 0.000) 3.442 4.001 ( -10.168 -6.608 0.000) 12.126 4.001 ( 10.168 -6.608 0.000) 12.126 4.622 ( -7.696 5.978 0.000) 9.745 4.622 ( 7.696 5.978 0.000) 9.745 4.942 ( -13.903 0.472 0.000) 13.911 4.942 ( 13.903 0.472 0.000) 13.911 5.175 ( -10.659 -2.168 0.000) 10.877 5.175 ( 10.659 -2.168 0.000) 10.877 5.291 ( -3.553 2.878 0.000) 4.573 5.291 ( 3.553 2.878 0.000) 4.573 5.356 ( -0.669 3.926 0.000) 3.983 5.356 ( 0.669 3.926 0.000) 3.983 5.470 ( -1.760 1.979 0.000) 2.649 5.470 ( 1.760 1.979 0.000) 2.649 5.834 ( -5.223 -8.082 0.000) 9.623 5.834 ( 5.223 -8.082 0.000) 9.623 6.412 ( -1.639 24.872 0.000) 24.926 6.412 ( 1.639 24.872 0.000) 24.926 6.726 ( -0.628 13.888 0.000) 13.902 6.726 ( 0.628 13.888 0.000) 13.902 7.299 ( -2.299 7.687 0.000) 8.023 7.299 ( 2.299 7.687 0.000) 8.023 7.324 ( -2.070 -1.264 0.000) 2.426 7.324 ( 2.070 -1.264 0.000) 2.426 7.506 ( -3.375 -3.244 0.000) 4.681 7.506 ( 3.375 -3.244 0.000) 4.681 7.927 ( -6.589 1.694 0.000) 6.803 7.927 ( 6.589 1.694 0.000) 6.803 8.117 ( -10.932 2.585 0.000) 11.233 8.117 ( 10.932 2.585 0.000) 11.233 8.403 ( -7.842 0.459 0.000) 7.855 8.403 ( 7.842 0.459 0.000) 7.855 8.752 ( -3.321 25.900 0.000) 26.112 8.752 ( 3.321 25.900 0.000) 26.112 9.018 ( -7.215 -0.396 0.000) 7.226 9.018 ( 7.215 -0.396 0.000) 7.226 9.325 ( -6.968 15.768 0.000) 17.239 9.325 ( 6.968 15.768 0.000) 17.239 9.612 ( -13.587 6.309 0.000) 14.980 9.612 ( 13.587 6.309 0.000) 14.980 10.172 ( -0.538 1.084 0.000) 1.210 10.172 ( 0.538 1.084 0.000) 1.210 10.806 ( -13.376 5.003 0.000) 14.281 10.806 ( 13.376 5.003 0.000) 14.281 10.887 ( -1.933 18.347 0.000) 18.448 10.887 ( 1.933 18.347 0.000) 18.448 11.073 ( -24.000 17.434 0.000) 29.664 11.073 ( 24.000 17.434 0.000) 29.664 11.500 ( -20.505 3.661 0.000) 20.829 11.500 ( 20.505 3.661 0.000) 20.829 11.815 ( -4.589 5.984 0.000) 7.541 11.815 ( 4.589 5.984 0.000) 7.541 11.930 ( -4.013 18.076 0.000) 18.516 11.930 ( 4.013 18.076 0.000) 18.516 12.235 ( -1.363 8.323 0.000) 8.434 12.235 ( 1.363 8.323 0.000) 8.434 12.811 ( -1.142 -8.112 0.000) 8.192 12.811 ( 1.142 -8.112 0.000) 8.192 12.955 ( -7.185 10.590 0.000) 12.797 12.955 ( 7.185 10.590 0.000) 12.797 13.319 ( -0.338 -15.244 0.000) 15.248 13.319 ( 0.338 -15.244 0.000) 15.248 13.747 ( -5.972 -5.473 0.000) 8.101 13.747 ( 5.972 -5.473 0.000) 8.101 14.450 ( -7.249 8.855 0.000) 11.444 14.450 ( 7.249 8.855 0.000) 11.444 14.901 ( -1.966 7.828 0.000) 8.071 14.901 ( 1.966 7.828 0.000) 8.071 15.359 ( -3.878 -6.716 0.000) 7.755 15.359 ( 3.878 -6.716 0.000) 7.755 15.905 ( -2.426 -13.898 0.000) 14.109 15.905 ( 2.426 -13.898 0.000) 14.109 16.697 ( -5.489 3.471 0.000) 6.495 16.697 ( 5.489 3.471 0.000) 6.495 17.096 ( -6.268 5.432 0.000) 8.294 17.096 ( 6.268 5.432 0.000) 8.294 17.477 ( -12.778 -14.243 0.000) 19.135 17.477 ( 12.778 -14.243 0.000) 19.135 17.738 ( -5.707 -11.348 0.000) 12.702 17.738 ( 5.707 -11.348 0.000) 12.702 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.000 19.315 0.000) 19.315 1.900 ( 0.000 18.184 0.000) 18.184 2.013 ( 0.000 -1.851 0.000) 1.851 2.163 ( 0.000 -7.625 0.000) 7.625 2.212 ( 0.000 0.522 0.000) 0.522 2.362 ( 0.000 -14.718 0.000) 14.718 2.485 ( 0.000 1.176 0.000) 1.176 2.531 ( 0.000 -0.000 0.000) 0.000 2.554 ( 0.000 -5.914 0.000) 5.914 2.584 ( 0.000 -6.196 0.000) 6.196 2.714 ( 0.000 4.579 0.000) 4.579 2.824 ( 0.000 -4.770 0.000) 4.770 2.960 ( 0.000 1.536 0.000) 1.536 2.973 ( 0.000 0.019 0.000) 0.019 3.008 ( 0.000 4.657 0.000) 4.657 3.177 ( 0.000 -10.411 0.000) 10.411 3.486 ( 0.000 2.490 0.000) 2.490 3.492 ( 0.000 8.738 0.000) 8.738 3.518 ( 0.000 -0.632 0.000) 0.632 3.557 ( 0.000 4.294 0.000) 4.294 3.591 ( 0.000 -1.073 0.000) 1.073 3.595 ( 0.000 -0.130 0.000) 0.130 3.670 ( 0.000 0.548 0.000) 0.548 3.680 ( 0.000 0.081 0.000) 0.081 3.710 ( 0.000 -5.084 0.000) 5.084 3.718 ( 0.000 -0.679 0.000) 0.679 4.130 ( 0.000 2.294 0.000) 2.294 4.220 ( 0.000 -4.665 0.000) 4.665 4.321 ( 0.000 28.220 0.000) 28.220 4.386 ( 0.000 5.134 0.000) 5.134 4.448 ( 0.000 5.803 0.000) 5.803 4.517 ( 0.000 -0.860 0.000) 0.860 4.517 ( 0.000 -6.158 0.000) 6.158 4.763 ( 0.000 -13.404 0.000) 13.404 5.239 ( 0.000 1.622 0.000) 1.622 5.269 ( 0.000 -1.476 0.000) 1.476 5.375 ( 0.000 5.439 0.000) 5.439 5.376 ( 0.000 3.501 0.000) 3.501 5.437 ( 0.000 4.170 0.000) 4.170 5.475 ( 0.000 0.114 0.000) 0.114 5.502 ( 0.000 -1.757 0.000) 1.757 5.525 ( 0.000 3.613 0.000) 3.613 5.604 ( 0.000 -3.528 0.000) 3.528 5.621 ( 0.000 -13.404 0.000) 13.404 6.818 ( 0.000 13.918 0.000) 13.918 6.834 ( 0.000 6.335 0.000) 6.335 6.844 ( 0.000 7.987 0.000) 7.987 6.940 ( 0.000 0.565 0.000) 0.565 7.299 ( 0.000 4.159 0.000) 4.159 7.426 ( 0.000 -0.290 0.000) 0.290 7.446 ( 0.000 3.733 0.000) 3.733 7.518 ( 0.000 7.326 0.000) 7.326 7.518 ( 0.000 1.088 0.000) 1.088 7.737 ( 0.000 2.313 0.000) 2.313 7.785 ( 0.000 -12.441 0.000) 12.441 7.865 ( 0.000 -7.868 0.000) 7.868 7.905 ( 0.000 12.651 0.000) 12.651 8.100 ( 0.000 -7.091 0.000) 7.091 8.566 ( 0.000 6.326 0.000) 6.326 8.670 ( 0.000 -3.661 0.000) 3.661 8.827 ( 0.000 1.778 0.000) 1.778 8.842 ( 0.000 0.271 0.000) 0.271 8.845 ( 0.000 4.880 0.000) 4.880 8.969 ( 0.000 -7.766 0.000) 7.766 9.294 ( 0.000 14.496 0.000) 14.496 9.506 ( 0.000 -6.369 0.000) 6.369 9.746 ( 0.000 26.926 0.000) 26.926 10.094 ( 0.000 7.733 0.000) 7.733 10.128 ( 0.000 -11.506 0.000) 11.506 10.280 ( 0.000 -8.985 0.000) 8.985 10.542 ( 0.000 16.828 0.000) 16.828 10.558 ( 0.000 9.419 0.000) 9.419 10.640 ( 0.000 0.340 0.000) 0.340 10.835 ( 0.000 -10.716 0.000) 10.716 11.623 ( 0.000 20.872 0.000) 20.872 11.637 ( 0.000 24.609 0.000) 24.609 11.755 ( 0.000 7.652 0.000) 7.652 11.852 ( 0.000 2.397 0.000) 2.397 11.977 ( 0.000 -1.442 0.000) 1.442 12.084 ( 0.000 -2.769 0.000) 2.769 12.266 ( 0.000 10.252 0.000) 10.252 12.433 ( 0.000 9.436 0.000) 9.436 12.490 ( 0.000 -0.846 0.000) 0.846 12.545 ( 0.000 -17.561 0.000) 17.561 12.607 ( 0.000 19.928 0.000) 19.928 12.649 ( 0.000 2.820 0.000) 2.820 12.873 ( 0.000 2.913 0.000) 2.913 13.005 ( 0.000 -18.459 0.000) 18.459 13.032 ( 0.000 4.912 0.000) 4.912 13.380 ( 0.000 11.653 0.000) 11.653 13.430 ( 0.000 -15.806 0.000) 15.806 13.636 ( 0.000 -13.758 0.000) 13.758 14.799 ( 0.000 25.789 0.000) 25.789 14.800 ( 0.000 5.281 0.000) 5.281 14.945 ( 0.000 -9.907 0.000) 9.907 15.004 ( 0.000 6.241 0.000) 6.241 15.259 ( 0.000 -8.702 0.000) 8.702 15.413 ( 0.000 16.274 0.000) 16.274 15.416 ( 0.000 -25.040 0.000) 25.040 15.645 ( 0.000 -5.232 0.000) 5.232 16.550 ( 0.000 -3.455 0.000) 3.455 16.671 ( 0.000 -14.017 0.000) 14.017 17.105 ( 0.000 13.847 0.000) 13.847 17.216 ( 0.000 6.132 0.000) 6.132 17.324 ( 0.000 -0.183 0.000) 0.183 17.367 ( 0.000 -4.070 0.000) 4.070 17.579 ( 0.000 -10.344 0.000) 10.344 17.601 ( 0.000 -9.393 0.000) 9.393 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 3.343 15.454 0.000) 15.811 1.940 ( 12.135 14.098 0.000) 18.601 2.033 ( 0.968 2.233 0.000) 2.434 2.157 ( -0.503 -6.408 0.000) 6.427 2.210 ( 0.602 1.392 0.000) 1.517 2.381 ( 3.413 -11.833 0.000) 12.315 2.552 ( 1.992 1.261 0.000) 2.358 2.555 ( 5.452 0.155 0.000) 5.454 2.606 ( -6.378 5.569 0.000) 8.467 2.629 ( 6.404 -6.929 0.000) 9.436 2.641 ( 1.010 -6.076 0.000) 6.159 2.760 ( -6.337 -7.811 0.000) 10.058 2.859 ( -6.642 3.192 0.000) 7.369 2.899 ( -8.260 5.884 0.000) 10.141 2.944 ( -4.054 -4.649 0.000) 6.168 3.077 ( -8.290 -10.547 0.000) 13.415 3.443 ( -1.435 6.926 0.000) 7.073 3.485 ( -0.994 9.599 0.000) 9.651 3.539 ( 0.369 -2.097 0.000) 2.129 3.559 ( -2.635 7.655 0.000) 8.096 3.576 ( 0.642 0.917 0.000) 1.120 3.606 ( -0.085 -3.916 0.000) 3.917 3.647 ( 1.308 -5.678 0.000) 5.826 3.743 ( -0.840 -8.497 0.000) 8.539 3.747 ( 7.495 2.672 0.000) 7.957 3.795 ( 6.063 -1.576 0.000) 6.264 4.068 ( -7.916 1.012 0.000) 7.980 4.082 ( -5.464 -1.537 0.000) 5.676 4.290 ( -2.609 14.886 0.000) 15.113 4.313 ( -0.883 27.446 0.000) 27.461 4.515 ( 3.354 -4.904 0.000) 5.941 4.674 ( 14.097 3.537 0.000) 14.534 4.730 ( -3.383 -11.851 0.000) 12.324 4.773 ( 15.583 -6.317 0.000) 16.815 5.220 ( -10.325 4.326 0.000) 11.195 5.273 ( 2.946 2.061 0.000) 3.595 5.309 ( 3.376 -1.460 0.000) 3.679 5.313 ( -8.689 -3.024 0.000) 9.200 5.412 ( -1.843 2.750 0.000) 3.310 5.445 ( -3.152 0.698 0.000) 3.228 5.521 ( 1.572 2.607 0.000) 3.044 5.527 ( 0.331 4.345 0.000) 4.357 5.627 ( 1.741 -5.288 0.000) 5.567 5.650 ( 1.435 -10.595 0.000) 10.692 6.797 ( -1.189 13.712 0.000) 13.764 6.825 ( -1.177 9.487 0.000) 9.560 6.860 ( 1.597 5.185 0.000) 5.426 6.921 ( -1.541 0.754 0.000) 1.716 7.289 ( -0.478 2.863 0.000) 2.903 7.379 ( -4.955 3.579 0.000) 6.112 7.399 ( -1.745 -5.585 0.000) 5.852 7.483 ( -3.462 -2.628 0.000) 4.346 7.513 ( 0.663 14.028 0.000) 14.044 7.646 ( -6.055 7.143 0.000) 9.364 7.790 ( 0.492 -12.121 0.000) 12.131 7.827 ( -1.463 -7.804 0.000) 7.940 8.027 ( 8.980 9.801 0.000) 13.293 8.192 ( 7.454 -5.967 0.000) 9.548 8.539 ( -10.974 2.663 0.000) 11.292 8.555 ( -6.838 0.790 0.000) 6.884 8.885 ( 5.251 2.125 0.000) 5.665 8.912 ( 5.277 0.584 0.000) 5.309 8.915 ( 7.834 5.701 0.000) 9.688 9.036 ( 3.145 -5.829 0.000) 6.623 9.393 ( 10.418 12.252 0.000) 16.083 9.525 ( 4.653 -1.957 0.000) 5.048 9.734 ( -1.457 22.599 0.000) 22.646 10.055 ( -8.540 -10.030 0.000) 13.174 10.156 ( 4.130 7.594 0.000) 8.644 10.364 ( 7.063 -11.573 0.000) 13.559 10.377 ( -10.246 17.346 0.000) 20.146 10.684 ( -1.662 -11.712 0.000) 11.829 10.783 ( 22.073 12.932 0.000) 25.582 10.993 ( 15.425 -6.903 0.000) 16.899 11.558 ( -3.859 25.184 0.000) 25.478 11.616 ( -1.729 25.331 0.000) 25.390 11.745 ( -6.419 11.352 0.000) 13.041 11.864 ( -10.872 -5.931 0.000) 12.385 11.866 ( 1.199 0.887 0.000) 1.491 12.008 ( -8.613 -5.900 0.000) 10.440 12.275 ( 0.990 8.851 0.000) 8.906 12.287 ( -6.595 15.957 0.000) 17.266 12.441 ( -7.420 -0.508 0.000) 7.437 12.443 ( -6.799 0.056 0.000) 6.799 12.615 ( 2.754 5.217 0.000) 5.899 12.657 ( 2.069 4.170 0.000) 4.655 12.927 ( 2.376 -16.037 0.000) 16.212 12.994 ( -1.025 -18.976 0.000) 19.004 13.096 ( 5.329 14.844 0.000) 15.772 13.331 ( -4.448 12.887 0.000) 13.633 13.460 ( 2.686 -15.599 0.000) 15.829 13.606 ( -2.845 -14.311 0.000) 14.591 14.765 ( -2.253 10.053 0.000) 10.303 14.771 ( -2.031 23.235 0.000) 23.323 14.965 ( 1.575 -8.194 0.000) 8.344 15.015 ( 0.293 3.959 0.000) 3.970 15.252 ( 0.107 -5.856 0.000) 5.857 15.356 ( -4.012 12.904 0.000) 13.513 15.461 ( 3.839 -22.529 0.000) 22.854 15.634 ( -2.264 -12.411 0.000) 12.616 16.626 ( 9.035 5.822 0.000) 10.749 16.860 ( 14.311 -15.960 0.000) 21.436 17.060 ( -5.457 13.539 0.000) 14.597 17.203 ( -0.578 5.665 0.000) 5.695 17.289 ( -1.851 4.604 0.000) 4.962 17.421 ( 3.602 -8.330 0.000) 9.075 17.469 ( -9.148 -7.803 0.000) 12.024 17.576 ( -3.049 -12.338 0.000) 12.709 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( -2.738 9.218 0.000) 9.616 2.009 ( 2.738 9.218 0.000) 9.616 2.135 ( -2.732 -3.369 0.000) 4.338 2.135 ( 2.732 -3.369 0.000) 4.338 2.347 ( -14.247 10.072 0.000) 17.447 2.347 ( 14.247 10.072 0.000) 17.447 2.517 ( -8.156 -4.708 0.000) 9.418 2.517 ( 8.156 -4.708 0.000) 9.418 2.642 ( -0.561 -1.169 0.000) 1.297 2.642 ( 0.561 -1.169 0.000) 1.297 2.735 ( -0.259 -7.749 0.000) 7.753 2.735 ( 0.259 -7.749 0.000) 7.753 2.768 ( -0.820 3.428 0.000) 3.524 2.768 ( 0.820 3.428 0.000) 3.524 2.906 ( -5.003 -9.678 0.000) 10.895 2.906 ( 5.003 -9.678 0.000) 10.895 3.447 ( -1.645 10.569 0.000) 10.696 3.447 ( 1.645 10.569 0.000) 10.696 3.531 ( -0.150 1.161 0.000) 1.170 3.531 ( 0.150 1.161 0.000) 1.170 3.608 ( -0.898 -1.514 0.000) 1.760 3.608 ( 0.898 -1.514 0.000) 1.760 3.684 ( -3.072 -7.576 0.000) 8.175 3.684 ( 3.072 -7.576 0.000) 8.175 3.921 ( -8.071 0.344 0.000) 8.079 3.921 ( 8.071 0.344 0.000) 8.079 3.935 ( -7.260 -1.244 0.000) 7.366 3.935 ( 7.260 -1.244 0.000) 7.366 4.286 ( -1.353 24.028 0.000) 24.066 4.286 ( 1.353 24.028 0.000) 24.066 4.625 ( -6.259 -8.080 0.000) 10.221 4.625 ( 6.259 -8.080 0.000) 10.221 4.968 ( -13.755 3.548 0.000) 14.205 4.968 ( 13.755 3.548 0.000) 14.205 5.081 ( -13.552 -6.696 0.000) 15.116 5.081 ( 13.552 -6.696 0.000) 15.116 5.344 ( -3.719 2.671 0.000) 4.579 5.344 ( 3.719 2.671 0.000) 4.579 5.383 ( -3.398 -0.788 0.000) 3.488 5.383 ( 3.398 -0.788 0.000) 3.488 5.534 ( -0.109 4.553 0.000) 4.554 5.534 ( 0.109 4.553 0.000) 4.554 5.657 ( -0.800 -8.126 0.000) 8.166 5.657 ( 0.800 -8.126 0.000) 8.166 6.796 ( -1.121 12.429 0.000) 12.479 6.796 ( 1.121 12.429 0.000) 12.479 6.891 ( -1.314 2.276 0.000) 2.628 6.891 ( 1.314 2.276 0.000) 2.628 7.301 ( -2.038 2.402 0.000) 3.150 7.301 ( 2.038 2.402 0.000) 3.150 7.405 ( -2.704 -6.256 0.000) 6.816 7.405 ( 2.704 -6.256 0.000) 6.816 7.552 ( -3.064 13.821 0.000) 14.156 7.552 ( 3.064 13.821 0.000) 14.156 7.804 ( -0.853 -10.850 0.000) 10.883 7.804 ( 0.853 -10.850 0.000) 10.883 8.260 ( -13.403 7.941 0.000) 15.578 8.260 ( 13.403 7.941 0.000) 15.578 8.374 ( -9.746 -3.447 0.000) 10.337 8.374 ( 9.746 -3.447 0.000) 10.337 8.986 ( -2.107 3.104 0.000) 3.752 8.986 ( 2.107 3.104 0.000) 3.752 9.011 ( -4.189 -0.403 0.000) 4.208 9.011 ( 4.189 -0.403 0.000) 4.208 9.661 ( -6.560 11.395 0.000) 13.149 9.661 ( 6.560 11.395 0.000) 13.149 9.743 ( -19.233 3.850 0.000) 19.614 9.743 ( 19.233 3.850 0.000) 19.614 10.234 ( -4.220 10.602 0.000) 11.411 10.234 ( 4.220 10.602 0.000) 11.411 10.552 ( -9.723 -16.953 0.000) 19.543 10.552 ( 9.723 -16.953 0.000) 19.543 11.326 ( -26.565 9.336 0.000) 28.158 11.326 ( 26.565 9.336 0.000) 28.158 11.416 ( -21.164 4.978 0.000) 21.742 11.416 ( 21.164 4.978 0.000) 21.742 11.603 ( -3.636 19.645 0.000) 19.979 11.603 ( 3.636 19.645 0.000) 19.979 11.896 ( -1.889 -2.452 0.000) 3.095 11.896 ( 1.889 -2.452 0.000) 3.095 12.290 ( -2.696 11.268 0.000) 11.586 12.290 ( 2.696 11.268 0.000) 11.586 12.335 ( -0.754 1.929 0.000) 2.072 12.335 ( 0.754 1.929 0.000) 2.072 12.668 ( -1.187 1.977 0.000) 2.306 12.668 ( 1.187 1.977 0.000) 2.306 12.967 ( -1.586 -19.724 0.000) 19.788 12.967 ( 1.586 -19.724 0.000) 19.788 13.217 ( -6.102 15.305 0.000) 16.477 13.217 ( 6.102 15.305 0.000) 16.477 13.531 ( -3.959 -15.114 0.000) 15.624 13.531 ( 3.959 -15.114 0.000) 15.624 14.743 ( -0.290 17.890 0.000) 17.892 14.743 ( 0.290 17.890 0.000) 17.892 15.000 ( -1.543 -3.532 0.000) 3.854 15.000 ( 1.543 -3.532 0.000) 3.854 15.283 ( -2.787 4.384 0.000) 5.195 15.283 ( 2.787 4.384 0.000) 5.195 15.554 ( -4.776 -18.993 0.000) 19.584 15.554 ( 4.776 -18.993 0.000) 19.584 16.868 ( -12.241 12.690 0.000) 17.632 16.868 ( 12.241 12.690 0.000) 17.632 17.147 ( -9.785 -12.541 0.000) 15.906 17.147 ( 9.785 -12.541 0.000) 15.906 17.282 ( -3.690 7.034 0.000) 7.943 17.282 ( 3.690 7.034 0.000) 7.943 17.499 ( -3.923 -12.320 0.000) 12.930 17.499 ( 3.923 -12.320 0.000) 12.930 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 0.000 0.000 25.451) 25.451 0.681 ( 0.000 0.000 32.271) 32.271 1.042 ( 0.000 0.000 49.668) 49.668 1.721 ( 0.000 0.000 7.149) 7.149 1.942 ( 0.000 0.000 3.626) 3.626 1.957 ( 0.000 0.000 7.486) 7.486 2.260 ( 0.000 0.000 1.594) 1.594 2.404 ( 0.000 0.000 2.250) 2.250 2.573 ( 0.000 0.000 -7.864) 7.864 2.727 ( 0.000 0.000 -3.240) 3.240 2.744 ( 0.000 0.000 -7.160) 7.160 2.880 ( 0.000 0.000 -3.471) 3.471 3.003 ( 0.000 0.000 0.830) 0.830 3.069 ( 0.000 0.000 -3.547) 3.547 3.135 ( 0.000 0.000 -6.644) 6.644 3.170 ( 0.000 0.000 -4.162) 4.162 3.231 ( 0.000 0.000 -7.297) 7.297 3.234 ( 0.000 0.000 -3.346) 3.346 3.413 ( 0.000 0.000 -1.229) 1.229 3.427 ( 0.000 0.000 0.523) 0.523 3.532 ( 0.000 0.000 -8.816) 8.816 3.675 ( 0.000 0.000 0.471) 0.471 3.704 ( 0.000 0.000 5.265) 5.265 3.835 ( 0.000 0.000 5.703) 5.703 3.855 ( 0.000 0.000 7.312) 7.312 3.975 ( 0.000 0.000 -0.397) 0.397 4.027 ( 0.000 0.000 -0.951) 0.951 4.088 ( 0.000 0.000 12.267) 12.267 4.147 ( 0.000 0.000 0.486) 0.486 4.283 ( 0.000 0.000 7.645) 7.645 4.357 ( 0.000 0.000 -4.159) 4.159 4.489 ( 0.000 0.000 1.830) 1.830 4.603 ( 0.000 0.000 -5.083) 5.083 4.628 ( 0.000 0.000 -2.062) 2.062 4.641 ( 0.000 0.000 4.071) 4.071 4.693 ( 0.000 0.000 1.641) 1.641 4.772 ( 0.000 0.000 1.894) 1.894 4.990 ( 0.000 0.000 -1.658) 1.658 5.078 ( 0.000 0.000 -3.737) 3.737 5.101 ( 0.000 0.000 -3.063) 3.063 5.324 ( 0.000 0.000 2.980) 2.980 5.476 ( 0.000 0.000 -0.090) 0.090 5.579 ( 0.000 0.000 5.442) 5.442 5.591 ( 0.000 0.000 -3.346) 3.346 5.662 ( 0.000 0.000 0.034) 0.034 5.753 ( 0.000 0.000 -0.461) 0.461 6.142 ( 0.000 0.000 -11.608) 11.608 6.239 ( 0.000 0.000 10.894) 10.894 6.405 ( 0.000 0.000 -0.706) 0.706 6.797 ( 0.000 0.000 1.285) 1.285 6.889 ( 0.000 0.000 9.652) 9.652 7.140 ( 0.000 0.000 -1.948) 1.948 7.211 ( 0.000 0.000 -1.424) 1.424 7.403 ( 0.000 0.000 -3.475) 3.475 7.545 ( 0.000 0.000 -5.743) 5.743 7.956 ( 0.000 0.000 10.310) 10.310 8.036 ( 0.000 0.000 -12.981) 12.981 8.076 ( 0.000 0.000 -5.459) 5.459 8.182 ( 0.000 0.000 1.909) 1.909 8.185 ( 0.000 0.000 -7.807) 7.807 8.394 ( 0.000 0.000 -0.804) 0.804 8.457 ( 0.000 0.000 1.687) 1.687 8.601 ( 0.000 0.000 7.025) 7.025 8.629 ( 0.000 0.000 8.368) 8.368 8.890 ( 0.000 0.000 12.374) 12.374 8.919 ( 0.000 0.000 -1.881) 1.881 9.150 ( 0.000 0.000 -3.714) 3.714 9.246 ( 0.000 0.000 -9.148) 9.148 9.246 ( 0.000 0.000 0.822) 0.822 9.634 ( 0.000 0.000 -5.515) 5.515 10.247 ( 0.000 0.000 -8.880) 8.880 10.526 ( 0.000 0.000 -5.790) 5.790 10.656 ( 0.000 0.000 3.687) 3.687 10.676 ( 0.000 0.000 -8.692) 8.692 10.776 ( 0.000 0.000 -0.818) 0.818 10.824 ( 0.000 0.000 1.854) 1.854 10.883 ( 0.000 0.000 6.970) 6.970 10.989 ( 0.000 0.000 5.717) 5.717 11.446 ( 0.000 0.000 0.388) 0.388 11.581 ( 0.000 0.000 -1.859) 1.859 11.605 ( 0.000 0.000 -1.177) 1.177 11.686 ( 0.000 0.000 -8.009) 8.009 11.736 ( 0.000 0.000 -5.889) 5.889 11.754 ( 0.000 0.000 -21.434) 21.434 12.718 ( 0.000 0.000 14.168) 14.168 12.773 ( 0.000 0.000 7.880) 7.880 13.009 ( 0.000 0.000 11.456) 11.456 13.149 ( 0.000 0.000 -1.061) 1.061 13.194 ( 0.000 0.000 -1.365) 1.365 13.691 ( 0.000 0.000 1.928) 1.928 13.715 ( 0.000 0.000 1.173) 1.173 14.025 ( 0.000 0.000 4.997) 4.997 14.182 ( 0.000 0.000 2.950) 2.950 14.591 ( 0.000 0.000 -1.727) 1.727 14.704 ( 0.000 0.000 -3.353) 3.353 15.025 ( 0.000 0.000 9.442) 9.442 15.288 ( 0.000 0.000 -6.171) 6.171 15.588 ( 0.000 0.000 -23.163) 23.163 15.828 ( 0.000 0.000 -3.034) 3.034 15.897 ( 0.000 0.000 2.996) 2.996 16.575 ( 0.000 0.000 -3.657) 3.657 16.630 ( 0.000 0.000 4.245) 4.245 17.254 ( 0.000 0.000 8.374) 8.374 17.579 ( 0.000 0.000 -0.423) 0.423 17.735 ( 0.000 0.000 -1.277) 1.277 18.144 ( 0.000 0.000 -3.681) 3.681 18.162 ( 0.000 0.000 6.036) 6.036 18.343 ( 0.000 0.000 5.318) 5.318 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 14.341 0.000 18.650) 23.526 0.778 ( 19.220 0.000 18.094) 26.397 1.428 ( -18.188 0.000 8.241) 19.968 1.577 ( 30.501 0.000 31.970) 44.186 1.788 ( -9.634 0.000 8.095) 12.583 2.220 ( 16.462 0.000 1.971) 16.580 2.287 ( 2.217 0.000 1.113) 2.481 2.399 ( -0.571 0.000 3.115) 3.167 2.600 ( 2.397 0.000 -7.504) 7.878 2.704 ( 0.255 0.000 -3.806) 3.814 2.775 ( -7.746 0.000 -3.709) 8.588 2.817 ( 2.163 0.000 -7.936) 8.226 2.942 ( -9.293 0.000 -0.676) 9.317 2.949 ( -2.893 0.000 -1.377) 3.204 3.014 ( -8.784 0.000 -3.365) 9.406 3.119 ( -5.156 0.000 0.982) 5.248 3.267 ( -4.223 0.000 0.448) 4.246 3.295 ( 7.721 0.000 -5.626) 9.554 3.414 ( -3.131 0.000 0.980) 3.281 3.486 ( 4.135 0.000 -1.331) 4.344 3.496 ( -2.256 0.000 -6.576) 6.952 3.563 ( -17.090 0.000 11.216) 20.442 3.680 ( -1.000 0.000 5.083) 5.181 3.682 ( -1.128 0.000 3.352) 3.537 3.788 ( -5.182 0.000 7.042) 8.743 3.871 ( -7.288 0.000 -1.582) 7.458 3.985 ( 11.334 0.000 2.583) 11.625 4.086 ( 1.425 0.000 -0.314) 1.460 4.118 ( -2.098 0.000 -0.216) 2.109 4.379 ( 0.130 0.000 -4.072) 4.074 4.444 ( 0.389 0.000 3.202) 3.226 4.481 ( -2.982 0.000 1.805) 3.485 4.519 ( -3.584 0.000 1.810) 4.015 4.609 ( -3.724 0.000 -4.176) 5.595 4.723 ( 11.635 0.000 4.585) 12.506 4.789 ( 5.204 0.000 -0.732) 5.255 4.952 ( 13.166 0.000 1.458) 13.247 4.962 ( -2.673 0.000 -1.514) 3.072 5.037 ( -3.618 0.000 -2.359) 4.319 5.153 ( 3.078 0.000 -3.891) 4.961 5.352 ( 5.156 0.000 2.527) 5.742 5.478 ( 0.495 0.000 0.534) 0.728 5.546 ( -2.198 0.000 4.518) 5.024 5.586 ( -0.539 0.000 -4.488) 4.521 5.701 ( -2.549 0.000 -1.224) 2.828 5.725 ( -0.941 0.000 -1.981) 2.193 6.185 ( 3.487 0.000 -3.973) 5.286 6.274 ( 0.958 0.000 0.720) 1.199 6.502 ( 9.416 0.000 2.147) 9.658 6.772 ( -0.530 0.000 -1.027) 1.155 7.091 ( 16.376 0.000 8.209) 18.319 7.136 ( -0.197 0.000 -1.829) 1.839 7.186 ( -2.177 0.000 -1.342) 2.557 7.432 ( 2.388 0.000 -3.791) 4.480 7.522 ( -1.689 0.000 -4.794) 5.083 7.722 ( -14.591 0.000 5.027) 15.433 7.826 ( -13.140 0.000 0.873) 13.169 7.995 ( -14.196 0.000 -5.674) 15.288 8.175 ( 1.458 0.000 -3.340) 3.644 8.247 ( 1.672 0.000 0.837) 1.870 8.349 ( -2.341 0.000 2.868) 3.702 8.396 ( -0.945 0.000 -5.863) 5.939 8.707 ( 7.414 0.000 3.284) 8.109 8.748 ( 10.694 0.000 4.310) 11.530 9.026 ( 5.985 0.000 6.757) 9.027 9.027 ( 6.602 0.000 0.514) 6.622 9.122 ( -2.601 0.000 -2.526) 3.626 9.228 ( -0.622 0.000 -2.383) 2.463 9.249 ( -0.653 0.000 -6.270) 6.304 9.386 ( -13.666 0.000 3.508) 14.109 10.088 ( -1.560 0.000 -2.373) 2.840 10.372 ( -7.361 0.000 -1.523) 7.517 10.529 ( -12.774 0.000 8.315) 15.242 10.535 ( -12.964 0.000 -1.192) 13.018 10.930 ( 13.797 0.000 -8.069) 15.983 10.962 ( 10.886 0.000 -2.865) 11.257 11.016 ( 13.035 0.000 -3.099) 13.398 11.146 ( 6.029 0.000 4.767) 7.686 11.460 ( 0.963 0.000 -0.136) 0.973 11.524 ( -10.648 0.000 -6.969) 12.726 11.526 ( -3.087 0.000 -1.596) 3.476 11.645 ( 2.053 0.000 -1.918) 2.809 11.680 ( -8.222 0.000 -17.697) 19.514 11.724 ( -1.261 0.000 -4.992) 5.149 12.771 ( 1.382 0.000 12.355) 12.432 12.827 ( 0.627 0.000 15.199) 15.212 13.121 ( -1.139 0.000 -0.906) 1.455 13.182 ( -1.741 0.000 1.081) 2.049 13.403 ( 20.150 0.000 -14.741) 24.966 13.696 ( -0.695 0.000 -0.809) 1.067 13.743 ( 3.426 0.000 2.536) 4.262 13.953 ( -5.689 0.000 4.587) 7.308 14.260 ( 6.788 0.000 1.447) 6.941 14.544 ( -4.417 0.000 -1.473) 4.657 14.745 ( 4.546 0.000 7.057) 8.394 15.005 ( -3.594 0.000 8.493) 9.222 15.226 ( -0.121 0.000 -10.162) 10.163 15.481 ( -7.885 0.000 -22.368) 23.717 15.873 ( 2.784 0.000 -3.424) 4.412 15.945 ( 0.940 0.000 -0.900) 1.301 16.698 ( 6.926 0.000 -0.558) 6.948 16.746 ( 7.906 0.000 -8.297) 11.460 17.240 ( -0.401 0.000 9.456) 9.464 17.498 ( -8.129 0.000 2.093) 8.394 17.808 ( 4.974 0.000 -1.333) 5.149 17.971 ( -6.024 0.000 3.838) 7.143 18.208 ( 0.641 0.000 6.002) 6.036 18.288 ( -3.087 0.000 7.563) 8.169 ======================= Grid point 47 (18/60) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -18.152 0.000 11.707) 21.600 1.050 ( 18.152 0.000 11.707) 21.600 1.290 ( -25.881 0.000 5.136) 26.386 1.290 ( 25.881 0.000 5.136) 26.386 2.289 ( -9.894 0.000 6.117) 11.633 2.289 ( 9.894 0.000 6.117) 11.633 2.499 ( -24.683 0.000 14.761) 28.760 2.499 ( 24.683 0.000 14.761) 28.760 2.524 ( -11.922 0.000 -3.631) 12.463 2.524 ( 11.922 0.000 -3.631) 12.463 2.750 ( -7.325 0.000 -1.163) 7.417 2.750 ( 7.325 0.000 -1.163) 7.417 2.789 ( -1.439 0.000 -3.293) 3.593 2.789 ( 1.439 0.000 -3.293) 3.593 2.992 ( -5.263 0.000 -2.983) 6.050 2.992 ( 5.263 0.000 -2.983) 6.050 3.240 ( -5.111 0.000 2.421) 5.655 3.240 ( 5.111 0.000 2.421) 5.655 3.430 ( -4.903 0.000 -6.655) 8.267 3.430 ( 4.903 0.000 -6.655) 8.267 3.565 ( -4.032 0.000 -0.556) 4.070 3.565 ( 4.032 0.000 -0.556) 4.070 3.695 ( -2.918 0.000 6.694) 7.303 3.695 ( 2.918 0.000 6.694) 7.303 3.710 ( -7.259 0.000 -0.152) 7.261 3.710 ( 7.259 0.000 -0.152) 7.261 4.095 ( -0.476 0.000 0.431) 0.642 4.095 ( 0.476 0.000 0.431) 0.642 4.231 ( -11.547 0.000 -0.639) 11.565 4.231 ( 11.547 0.000 -0.639) 11.565 4.481 ( -2.109 0.000 1.792) 2.767 4.481 ( 2.109 0.000 1.792) 2.767 4.501 ( -5.052 0.000 0.570) 5.084 4.501 ( 5.052 0.000 0.570) 5.084 4.888 ( -4.343 0.000 -1.374) 4.555 4.888 ( 4.343 0.000 -1.374) 4.555 4.923 ( -7.481 0.000 -0.179) 7.483 4.923 ( 7.481 0.000 -0.179) 7.483 5.150 ( -4.671 0.000 -2.266) 5.192 5.150 ( 4.671 0.000 -2.266) 5.192 5.504 ( -1.858 0.000 2.587) 3.185 5.504 ( 1.858 0.000 2.587) 3.185 5.511 ( -7.848 0.000 -1.535) 7.997 5.511 ( 7.848 0.000 -1.535) 7.997 5.676 ( -2.278 0.000 -0.910) 2.453 5.676 ( 2.278 0.000 -0.910) 2.453 6.254 ( -2.573 0.000 -2.142) 3.348 6.254 ( 2.573 0.000 -2.142) 3.348 6.707 ( -7.672 0.000 0.059) 7.672 6.707 ( 7.672 0.000 0.059) 7.672 7.145 ( -1.339 0.000 -1.394) 1.933 7.145 ( 1.339 0.000 -1.394) 1.933 7.464 ( -15.040 0.000 8.181) 17.122 7.464 ( 15.040 0.000 8.181) 17.122 7.482 ( -2.223 0.000 -4.350) 4.885 7.482 ( 2.223 0.000 -4.350) 4.885 7.685 ( -6.331 0.000 -2.534) 6.819 7.685 ( 6.331 0.000 -2.534) 6.819 8.222 ( -2.529 0.000 -1.789) 3.098 8.222 ( 2.529 0.000 -1.789) 3.098 8.367 ( -1.919 0.000 -0.711) 2.046 8.367 ( 1.919 0.000 -0.711) 2.046 8.850 ( -3.583 0.000 3.994) 5.365 8.850 ( 3.583 0.000 3.994) 5.365 9.091 ( -1.445 0.000 -1.628) 2.177 9.091 ( 1.445 0.000 -1.628) 2.177 9.156 ( -8.793 0.000 1.876) 8.991 9.156 ( 8.793 0.000 1.876) 8.991 9.227 ( -0.856 0.000 -4.449) 4.531 9.227 ( 0.856 0.000 -4.449) 4.531 10.245 ( -13.581 0.000 -0.382) 13.586 10.245 ( 13.581 0.000 -0.382) 13.586 10.332 ( -4.366 0.000 3.975) 5.904 10.332 ( 4.366 0.000 3.975) 5.904 11.153 ( -5.611 0.000 -0.604) 5.643 11.153 ( 5.611 0.000 -0.604) 5.643 11.171 ( -7.201 0.000 -7.189) 10.175 11.171 ( 7.201 0.000 -7.189) 10.175 11.447 ( -10.487 0.000 -11.206) 15.348 11.447 ( 10.487 0.000 -11.206) 15.348 11.479 ( -1.375 0.000 -1.205) 1.828 11.479 ( 1.375 0.000 -1.205) 1.828 11.687 ( -2.094 0.000 -3.064) 3.711 11.687 ( 2.094 0.000 -3.064) 3.711 12.809 ( -1.849 0.000 13.502) 13.628 12.809 ( 1.849 0.000 13.502) 13.628 13.133 ( -2.180 0.000 1.319) 2.548 13.133 ( 2.180 0.000 1.319) 2.548 13.640 ( -5.515 0.000 -6.268) 8.349 13.640 ( 5.515 0.000 -6.268) 8.349 13.837 ( -5.217 0.000 3.578) 6.326 13.837 ( 5.217 0.000 3.578) 6.326 14.417 ( -7.523 0.000 -0.518) 7.541 14.417 ( 7.523 0.000 -0.518) 7.541 14.878 ( -7.438 0.000 10.393) 12.781 14.878 ( 7.438 0.000 10.393) 12.781 15.316 ( -7.264 0.000 -19.102) 20.436 15.316 ( 7.264 0.000 -19.102) 20.436 15.926 ( -2.128 0.000 -1.969) 2.899 15.926 ( 2.128 0.000 -1.969) 2.899 16.808 ( -2.105 0.000 -6.003) 6.361 16.808 ( 2.105 0.000 -6.003) 6.361 17.305 ( -7.647 0.000 9.425) 12.137 17.305 ( 7.647 0.000 9.425) 12.137 17.900 ( -3.470 0.000 -1.528) 3.791 17.900 ( 3.470 0.000 -1.528) 3.791 18.232 ( -2.115 0.000 8.004) 8.278 18.232 ( 2.115 0.000 8.004) 8.278 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 0.000 11.731 26.434) 28.920 0.948 ( 0.000 18.366 25.683) 31.574 1.443 ( 0.000 42.730 25.462) 49.741 1.946 ( 0.000 15.481 5.646) 16.478 1.983 ( 0.000 5.426 7.378) 9.158 2.108 ( 0.000 13.266 3.449) 13.707 2.259 ( 0.000 -0.069 1.595) 1.596 2.411 ( 0.000 1.615 1.858) 2.462 2.605 ( 0.000 2.643 -5.973) 6.531 2.687 ( 0.000 -1.202 -2.789) 3.037 2.735 ( 0.000 -0.615 -5.929) 5.961 2.979 ( 0.000 -3.563 -1.493) 3.863 2.985 ( 0.000 -2.415 -3.559) 4.300 3.024 ( 0.000 7.059 -0.181) 7.062 3.043 ( 0.000 -4.833 1.853) 5.176 3.109 ( 0.000 -3.712 -6.430) 7.425 3.220 ( 0.000 -1.548 -3.852) 4.152 3.220 ( 0.000 -3.924 -6.284) 7.409 3.398 ( 0.000 1.790 -2.856) 3.371 3.420 ( 0.000 -0.570 -1.633) 1.730 3.562 ( 0.000 1.309 -6.588) 6.717 3.670 ( 0.000 -0.833 0.146) 0.846 3.756 ( 0.000 -10.111 3.691) 10.763 3.838 ( 0.000 -1.401 4.744) 4.947 3.873 ( 0.000 9.598 4.652) 10.665 4.012 ( 0.000 -1.277 -0.630) 1.424 4.027 ( 0.000 7.450 6.060) 9.604 4.097 ( 0.000 -4.475 0.075) 4.476 4.119 ( 0.000 4.934 6.743) 8.356 4.200 ( 0.000 -1.871 6.624) 6.884 4.483 ( 0.000 -8.706 6.278) 10.734 4.528 ( 0.000 -2.349 -3.173) 3.948 4.579 ( 0.000 7.920 -4.272) 8.999 4.719 ( 0.000 16.362 2.476) 16.549 4.727 ( 0.000 -3.701 1.775) 4.105 4.858 ( 0.000 18.166 -1.718) 18.247 4.908 ( 0.000 20.554 1.870) 20.639 5.097 ( 0.000 2.697 -3.416) 4.352 5.124 ( 0.000 3.945 -2.898) 4.895 5.140 ( 0.000 10.137 -1.328) 10.223 5.379 ( 0.000 9.210 3.356) 9.802 5.487 ( 0.000 1.517 1.346) 2.028 5.559 ( 0.000 -2.590 -2.890) 3.881 5.618 ( 0.000 1.968 4.946) 5.324 5.771 ( 0.000 12.021 -0.456) 12.030 5.809 ( 0.000 5.740 0.365) 5.752 6.218 ( 0.000 5.835 -9.290) 10.971 6.419 ( 0.000 1.860 -1.723) 2.536 6.594 ( 0.000 33.838 7.656) 34.693 6.803 ( 0.000 1.202 -2.054) 2.380 7.177 ( 0.000 1.755 -2.433) 3.000 7.213 ( 0.000 2.094 -0.784) 2.236 7.247 ( 0.000 15.451 -8.215) 17.499 7.425 ( 0.000 4.946 -4.204) 6.491 7.551 ( 0.000 4.862 -5.632) 7.440 7.940 ( 0.000 -5.142 -0.798) 5.204 7.978 ( 0.000 -0.204 12.192) 12.194 8.073 ( 0.000 1.065 -7.680) 7.753 8.227 ( 0.000 4.740 -14.035) 14.814 8.360 ( 0.000 -2.402 2.413) 3.405 8.376 ( 0.000 11.606 -0.986) 11.648 8.507 ( 0.000 6.268 1.259) 6.393 8.602 ( 0.000 -0.144 4.635) 4.637 8.718 ( 0.000 7.271 8.846) 11.451 8.953 ( 0.000 4.735 9.708) 10.802 9.056 ( 0.000 10.711 -7.067) 12.832 9.271 ( 0.000 4.763 -8.222) 9.502 9.354 ( 0.000 16.334 -1.977) 16.454 9.425 ( 0.000 16.573 0.269) 16.575 9.700 ( 0.000 9.441 -1.290) 9.529 10.192 ( 0.000 -4.686 -8.869) 10.031 10.274 ( 0.000 -13.171 20.407) 24.288 10.655 ( 0.000 -2.029 -7.435) 7.707 10.728 ( 0.000 5.009 2.763) 5.720 10.759 ( 0.000 0.506 -0.382) 0.634 10.764 ( 0.000 0.300 6.943) 6.949 11.059 ( 0.000 15.190 0.413) 15.196 11.073 ( 0.000 7.867 5.765) 9.753 11.395 ( 0.000 -2.242 -5.426) 5.870 11.595 ( 0.000 1.371 -3.089) 3.380 11.678 ( 0.000 0.966 -3.005) 3.156 11.721 ( 0.000 11.591 -2.172) 11.793 11.816 ( 0.000 6.611 -9.545) 11.610 11.873 ( 0.000 9.589 -14.600) 17.467 12.750 ( 0.000 -2.040 7.416) 7.691 12.785 ( 0.000 6.183 6.089) 8.678 12.860 ( 0.000 -0.823 13.685) 13.710 13.152 ( 0.000 -0.385 0.246) 0.456 13.553 ( 0.000 7.154 -9.930) 12.239 13.648 ( 0.000 -3.773 0.407) 3.795 13.693 ( 0.000 -2.221 1.171) 2.511 14.046 ( 0.000 2.439 3.868) 4.573 14.165 ( 0.000 -2.146 2.149) 3.037 14.595 ( 0.000 0.919 -0.561) 1.077 14.713 ( 0.000 1.018 -3.064) 3.229 15.037 ( 0.000 0.473 7.707) 7.722 15.284 ( 0.000 -0.527 -5.952) 5.975 15.562 ( 0.000 -2.368 -22.057) 22.184 15.784 ( 0.000 -5.454 -3.355) 6.403 16.158 ( 0.000 18.303 -18.310) 25.889 16.499 ( 0.000 -7.764 -3.504) 8.518 16.622 ( 0.000 -0.809 2.507) 2.634 17.224 ( 0.000 -2.877 9.725) 10.141 17.515 ( 0.000 -6.625 -0.612) 6.653 17.662 ( 0.000 -6.997 -1.795) 7.224 17.986 ( 0.000 -11.653 6.948) 13.567 18.132 ( 0.000 -2.975 6.235) 6.908 18.266 ( 0.000 -5.355 6.720) 8.593 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.25 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 16.769 12.191 14.488) 25.292 1.178 ( 12.305 28.201 13.384) 33.553 1.703 ( -1.167 19.302 12.523) 23.039 1.730 ( -4.234 18.795 12.599) 23.020 1.861 ( 4.217 11.650 13.580) 18.382 2.275 ( 2.022 -0.746 0.885) 2.330 2.299 ( 7.397 3.349 3.193) 8.725 2.457 ( 6.193 7.629 2.484) 10.135 2.619 ( 1.205 1.173 -6.550) 6.762 2.673 ( 0.517 -0.848 -3.780) 3.909 2.808 ( 2.603 0.984 -5.864) 6.491 2.863 ( -6.441 -0.982 -5.379) 8.449 2.903 ( -5.007 -1.188 -2.125) 5.568 2.951 ( -6.625 3.589 1.693) 7.723 3.036 ( -7.156 2.212 -4.672) 8.828 3.057 ( 0.099 -4.252 2.639) 5.005 3.201 ( -4.453 -3.909 0.158) 5.927 3.300 ( 5.680 -4.034 -4.559) 8.326 3.414 ( -2.416 0.735 0.976) 2.708 3.457 ( 0.372 -0.450 -1.960) 2.045 3.530 ( -9.547 -0.752 1.052) 9.634 3.568 ( -4.697 1.569 1.416) 5.151 3.687 ( -0.874 1.542 1.457) 2.295 3.744 ( -4.133 -3.186 4.955) 7.196 3.791 ( -1.660 2.198 5.843) 6.460 3.933 ( -5.860 6.323 0.831) 8.661 4.009 ( 6.025 -0.056 0.598) 6.055 4.062 ( 0.778 -0.743 -0.867) 1.381 4.107 ( 1.089 0.923 1.633) 2.169 4.375 ( -1.023 -2.301 3.434) 4.258 4.459 ( -5.583 -0.505 -2.392) 6.095 4.501 ( -3.957 -5.015 -1.957) 6.681 4.604 ( 10.792 2.713 3.852) 11.776 4.728 ( 1.556 19.679 1.364) 19.787 4.837 ( 1.841 16.476 0.696) 16.593 4.937 ( 7.203 7.005 -0.695) 10.071 4.965 ( 6.004 8.356 -0.350) 10.295 5.057 ( -3.104 3.742 -2.066) 5.282 5.110 ( -0.852 6.707 -0.740) 6.802 5.181 ( 1.798 4.882 -2.400) 5.730 5.410 ( 3.389 7.181 1.329) 8.051 5.461 ( -0.776 -1.320 0.055) 1.532 5.578 ( 0.283 3.858 2.701) 4.718 5.638 ( 2.317 4.211 -0.099) 4.808 5.759 ( -3.021 6.947 0.770) 7.615 5.784 ( -1.237 7.976 -0.219) 8.074 6.244 ( 2.209 4.183 -7.033) 8.476 6.359 ( -3.424 4.369 -1.450) 5.737 6.753 ( 12.051 28.178 5.406) 31.120 6.916 ( 8.486 5.506 -8.517) 13.224 7.153 ( -1.287 2.539 -2.836) 4.018 7.210 ( -0.952 5.357 -1.903) 5.764 7.291 ( 5.632 13.096 0.700) 14.273 7.434 ( 1.275 2.984 -2.490) 4.091 7.513 ( -2.143 1.791 -3.479) 4.461 7.766 ( -12.783 3.150 2.992) 13.501 7.837 ( -11.219 1.670 5.031) 12.408 8.000 ( -11.927 1.258 -6.077) 13.445 8.190 ( 1.129 0.041 -4.426) 4.568 8.287 ( -6.168 3.995 4.989) 8.882 8.369 ( -1.519 -0.558 -0.953) 1.878 8.405 ( -3.054 5.136 -1.455) 6.150 8.788 ( 12.161 4.473 6.235) 14.380 8.831 ( 10.811 8.178 1.028) 13.594 8.989 ( 2.934 0.783 3.725) 4.806 9.125 ( -0.747 4.521 4.998) 6.781 9.247 ( 1.420 4.419 -10.252) 11.253 9.342 ( -0.933 15.896 -2.031) 16.052 9.408 ( -1.807 16.771 0.203) 16.869 9.547 ( -8.106 17.571 1.885) 19.443 10.107 ( 3.230 2.216 -2.490) 4.642 10.403 ( -4.252 3.299 1.351) 5.549 10.513 ( -9.314 -0.085 3.025) 9.794 10.634 ( -6.250 6.863 1.871) 9.469 10.897 ( 11.669 -3.144 -5.742) 13.380 10.981 ( 8.886 1.434 -2.776) 9.419 11.046 ( 7.030 3.099 0.817) 7.727 11.201 ( 6.871 8.157 4.044) 11.406 11.383 ( -0.778 -1.540 -7.289) 7.491 11.583 ( -0.927 3.460 -3.028) 4.691 11.613 ( -5.014 4.165 -3.245) 7.281 11.728 ( -1.765 7.813 -5.885) 9.939 11.758 ( -3.385 5.925 -6.144) 9.182 11.813 ( -3.901 11.510 -8.826) 15.020 12.753 ( 1.423 -1.775 8.515) 8.814 12.833 ( -1.269 0.394 14.347) 14.409 12.959 ( 8.374 -5.362 2.076) 10.158 13.132 ( -1.796 -1.794 1.874) 3.155 13.587 ( 3.211 4.201 -8.637) 10.127 13.685 ( 0.987 -1.616 -1.226) 2.256 13.697 ( 2.508 -3.978 1.960) 5.095 13.957 ( -7.197 1.081 2.809) 7.801 14.231 ( 5.805 -2.134 1.126) 6.287 14.532 ( -5.760 -0.637 -1.123) 5.903 14.746 ( 3.885 0.357 4.618) 6.045 14.996 ( -4.467 -1.016 8.198) 9.391 15.270 ( 0.880 2.374 -9.974) 10.290 15.483 ( -6.401 -0.305 -19.972) 20.975 15.838 ( 4.340 -3.514 -3.789) 6.749 16.050 ( -6.021 8.562 -7.564) 12.914 16.645 ( 7.503 -6.090 -5.722) 11.231 16.700 ( 5.728 -3.352 -4.780) 8.179 17.201 ( -0.596 -3.491 10.863) 11.426 17.449 ( -7.251 -4.452 2.234) 8.798 17.728 ( 5.280 -7.944 -0.641) 9.560 17.906 ( -3.478 -5.802 3.690) 7.705 18.157 ( 1.036 -4.592 7.727) 9.048 18.239 ( -2.238 -4.524 6.965) 8.602 ======================= Grid point 52 (21/60) ======================= q-point: (-0.50 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -23.568 7.823 5.243) 25.380 1.364 ( 23.568 7.823 5.243) 25.380 1.435 ( -13.191 28.714 7.986) 32.592 1.435 ( 13.191 28.714 7.986) 32.592 2.275 ( -5.412 -0.258 2.933) 6.161 2.275 ( 5.412 -0.258 2.933) 6.161 2.521 ( -21.673 3.847 11.623) 24.892 2.521 ( 21.673 3.847 11.623) 24.892 2.645 ( -7.131 7.782 -3.042) 10.985 2.645 ( 7.131 7.782 -3.042) 10.985 2.726 ( -2.260 0.833 0.526) 2.465 2.726 ( 2.260 0.833 0.526) 2.465 2.847 ( -3.377 3.104 -1.697) 4.891 2.847 ( 3.377 3.104 -1.697) 4.891 2.968 ( -6.232 -0.859 -2.184) 6.659 2.968 ( 6.232 -0.859 -2.184) 6.659 3.188 ( -5.754 -4.201 4.564) 8.461 3.188 ( 5.754 -4.201 4.564) 8.461 3.427 ( -4.989 -3.061 -5.550) 8.066 3.427 ( 4.989 -3.061 -5.550) 8.066 3.577 ( -5.121 1.627 -1.446) 5.564 3.577 ( 5.121 1.627 -1.446) 5.564 3.679 ( -3.905 -1.203 0.250) 4.094 3.679 ( 3.905 -1.203 0.250) 4.094 3.809 ( -4.122 6.781 4.316) 9.033 3.809 ( 4.122 6.781 4.316) 9.033 4.054 ( -1.456 -2.831 -0.242) 3.193 4.054 ( 1.456 -2.831 -0.242) 3.193 4.262 ( -9.849 0.524 0.623) 9.882 4.262 ( 9.849 0.524 0.623) 9.882 4.421 ( -3.021 -3.688 0.655) 4.813 4.421 ( 3.021 -3.688 0.655) 4.813 4.734 ( -1.920 18.249 1.184) 18.388 4.734 ( 1.920 18.249 1.184) 18.388 4.931 ( -5.956 6.505 -0.551) 8.837 4.931 ( 5.956 6.505 -0.551) 8.837 5.021 ( -2.465 7.629 -1.941) 8.249 5.021 ( 2.465 7.629 -1.941) 8.249 5.167 ( -3.645 2.305 -0.452) 4.336 5.167 ( 3.645 2.305 -0.452) 4.336 5.463 ( -0.242 -1.066 -0.494) 1.199 5.463 ( 0.242 -1.066 -0.494) 1.199 5.621 ( -4.443 8.573 2.139) 9.889 5.621 ( 4.443 8.573 2.139) 9.889 5.740 ( -2.491 7.173 0.116) 7.594 5.740 ( 2.491 7.173 0.116) 7.594 6.297 ( -2.754 2.972 -3.965) 5.669 6.297 ( 2.754 2.972 -3.965) 5.669 6.979 ( -5.631 21.356 -5.496) 22.759 6.979 ( 5.631 21.356 -5.496) 22.759 7.158 ( -2.584 5.355 -0.656) 5.981 7.158 ( 2.584 5.355 -0.656) 5.981 7.438 ( -3.196 -1.973 -1.145) 3.926 7.438 ( 3.196 -1.973 -1.145) 3.926 7.578 ( -9.006 9.087 6.663) 14.425 7.578 ( 9.006 9.087 6.663) 14.425 7.691 ( -7.269 0.882 -2.137) 7.628 7.691 ( 7.269 0.882 -2.137) 7.628 8.231 ( -1.975 0.597 0.425) 2.107 8.231 ( 1.975 0.597 0.425) 2.107 8.360 ( -0.727 -0.003 -1.507) 1.673 8.360 ( 0.727 -0.003 -1.507) 1.673 8.960 ( -2.188 9.114 3.317) 9.943 8.960 ( 2.188 9.114 3.317) 9.943 9.057 ( -4.212 -1.532 -0.004) 4.482 9.057 ( 4.212 -1.532 -0.004) 4.482 9.328 ( -3.157 9.122 -3.207) 10.172 9.328 ( 3.157 9.122 -3.207) 10.172 9.387 ( -4.069 20.561 0.296) 20.962 9.387 ( 4.069 20.561 0.296) 20.962 10.281 ( -9.307 4.175 -0.269) 10.204 10.281 ( 9.307 4.175 -0.269) 10.204 10.433 ( -7.946 9.808 3.347) 13.060 10.433 ( 7.946 9.808 3.347) 13.060 11.071 ( -3.728 -5.765 -6.222) 9.265 11.071 ( 3.728 -5.765 -6.222) 9.265 11.216 ( -5.944 4.410 -0.635) 7.428 11.216 ( 5.944 4.410 -0.635) 7.428 11.460 ( -8.724 2.634 -9.477) 13.147 11.460 ( 8.724 2.634 -9.477) 13.147 11.614 ( -4.354 7.512 -2.275) 8.975 11.614 ( 4.354 7.512 -2.275) 8.975 11.762 ( -1.743 9.452 -3.555) 10.248 11.762 ( 1.743 9.452 -3.555) 10.248 12.793 ( -2.174 -1.460 10.327) 10.654 12.793 ( 2.174 -1.460 10.327) 10.654 13.076 ( -3.750 -4.258 3.591) 6.715 13.076 ( 3.750 -4.258 3.591) 6.715 13.658 ( -2.723 -0.383 -4.444) 5.226 13.658 ( 2.723 -0.383 -4.444) 5.226 13.805 ( -6.685 -1.906 2.333) 7.332 13.805 ( 6.685 -1.906 2.333) 7.332 14.381 ( -8.106 -2.445 -0.625) 8.489 14.381 ( 8.106 -2.445 -0.625) 8.489 14.867 ( -7.030 -1.012 8.610) 11.161 14.867 ( 7.030 -1.012 8.610) 11.161 15.347 ( -5.935 2.061 -16.051) 17.236 15.347 ( 5.935 2.061 -16.051) 17.236 15.938 ( -5.126 1.181 -3.959) 6.583 15.938 ( 5.126 1.181 -3.959) 6.583 16.747 ( -1.868 -6.043 -6.685) 9.203 16.747 ( 1.868 -6.043 -6.685) 9.203 17.270 ( -7.574 -3.035 9.720) 12.691 17.270 ( 7.574 -3.035 9.720) 12.691 17.838 ( -4.471 -6.018 -1.430) 7.632 17.838 ( 4.471 -6.018 -1.430) 7.632 18.188 ( -2.322 -4.312 8.281) 9.621 18.188 ( 2.322 -4.312 8.281) 9.621 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 0.000 17.627 17.296) 24.696 1.285 ( 0.000 17.728 21.954) 28.218 2.001 ( 0.000 3.821 6.412) 7.464 2.255 ( 0.000 0.190 1.110) 1.126 2.272 ( 0.000 1.626 2.504) 2.986 2.280 ( 0.000 13.578 2.003) 13.725 2.408 ( 0.000 42.666 8.549) 43.514 2.520 ( 0.000 7.177 0.851) 7.227 2.607 ( 0.000 -1.529 -0.194) 1.542 2.713 ( 0.000 -1.596 -0.708) 1.746 2.775 ( 0.000 8.807 -2.066) 9.046 2.853 ( 0.000 -6.365 -1.311) 6.499 2.911 ( 0.000 -1.203 0.368) 1.258 3.020 ( 0.000 -7.170 -4.618) 8.529 3.075 ( 0.000 1.858 -3.367) 3.846 3.105 ( 0.000 1.734 -2.140) 2.755 3.156 ( 0.000 -1.232 -3.101) 3.336 3.240 ( 0.000 8.306 -0.759) 8.341 3.388 ( 0.000 -5.902 -2.782) 6.525 3.455 ( 0.000 1.743 -2.745) 3.252 3.474 ( 0.000 -8.509 0.239) 8.512 3.545 ( 0.000 -2.731 -2.567) 3.748 3.713 ( 0.000 -0.067 1.333) 1.335 3.762 ( 0.000 -5.713 2.238) 6.136 3.924 ( 0.000 -4.361 3.298) 5.468 3.978 ( 0.000 -3.813 2.252) 4.429 4.000 ( 0.000 -3.332 -2.930) 4.437 4.127 ( 0.000 5.334 8.013) 9.626 4.211 ( 0.000 2.110 6.770) 7.091 4.298 ( 0.000 8.814 -1.134) 8.887 4.319 ( 0.000 -6.006 3.746) 7.078 4.616 ( 0.000 -0.628 -2.362) 2.444 4.624 ( 0.000 -5.757 2.358) 6.221 4.631 ( 0.000 10.227 -2.607) 10.554 5.081 ( 0.000 7.482 -1.589) 7.649 5.149 ( 0.000 11.720 1.386) 11.802 5.160 ( 0.000 4.130 -5.188) 6.631 5.175 ( 0.000 10.185 -1.563) 10.305 5.271 ( 0.000 9.742 0.991) 9.792 5.317 ( 0.000 5.827 2.547) 6.359 5.482 ( 0.000 1.120 1.116) 1.581 5.547 ( 0.000 3.534 -0.181) 3.538 5.593 ( 0.000 -0.386 4.245) 4.263 5.908 ( 0.000 31.130 3.324) 31.307 6.012 ( 0.000 16.534 1.564) 16.607 6.076 ( 0.000 7.756 -0.964) 7.815 6.310 ( 0.000 11.688 -1.718) 11.814 6.533 ( 0.000 8.842 -1.621) 8.990 6.884 ( 0.000 8.037 -13.141) 15.403 7.167 ( 0.000 -1.014 -3.204) 3.361 7.295 ( 0.000 -1.871 -3.995) 4.411 7.329 ( 0.000 7.664 -0.547) 7.684 7.415 ( 0.000 19.389 -3.912) 19.780 7.450 ( 0.000 20.665 -2.426) 20.807 7.844 ( 0.000 -3.970 -0.559) 4.009 7.917 ( 0.000 19.645 -7.872) 21.163 8.000 ( 0.000 1.619 17.729) 17.803 8.071 ( 0.000 0.605 -1.628) 1.737 8.262 ( 0.000 -1.060 -1.540) 1.870 8.436 ( 0.000 11.885 -9.464) 15.193 8.520 ( 0.000 4.328 -3.796) 5.756 8.612 ( 0.000 1.869 3.217) 3.721 8.741 ( 0.000 13.987 5.638) 15.080 8.857 ( 0.000 6.475 8.345) 10.562 9.055 ( 0.000 6.153 12.206) 13.669 9.213 ( 0.000 1.553 -10.074) 10.193 9.296 ( 0.000 2.491 -6.642) 7.093 9.786 ( 0.000 16.793 0.386) 16.798 9.800 ( 0.000 21.699 -1.681) 21.764 10.026 ( 0.000 13.152 -0.058) 13.152 10.169 ( 0.000 13.843 -5.046) 14.734 10.225 ( 0.000 8.665 21.690) 23.356 10.594 ( 0.000 -4.274 -4.027) 5.872 10.691 ( 0.000 -3.137 0.304) 3.151 10.881 ( 0.000 11.390 3.809) 12.010 10.966 ( 0.000 14.519 -0.827) 14.542 11.256 ( 0.000 9.990 8.744) 13.276 11.412 ( 0.000 4.245 -11.114) 11.897 11.429 ( 0.000 21.938 -1.911) 22.021 11.662 ( 0.000 6.633 -3.492) 7.496 11.742 ( 0.000 5.639 -2.946) 6.362 11.987 ( 0.000 10.758 -9.192) 14.150 12.018 ( 0.000 14.969 -3.382) 15.346 12.069 ( 0.000 11.614 -5.633) 12.908 12.709 ( 0.000 -1.799 5.951) 6.217 12.900 ( 0.000 3.485 10.256) 10.831 12.930 ( 0.000 7.130 -1.994) 7.403 13.084 ( 0.000 -7.906 3.605) 8.689 13.509 ( 0.000 -8.026 -4.287) 9.099 13.582 ( 0.000 -1.734 -2.440) 2.993 13.595 ( 0.000 -8.212 2.177) 8.496 14.076 ( 0.000 -7.174 0.126) 7.176 14.132 ( 0.000 6.957 4.974) 8.552 14.639 ( 0.000 3.773 1.552) 4.079 14.744 ( 0.000 2.011 -3.892) 4.380 15.058 ( 0.000 2.455 6.752) 7.185 15.251 ( 0.000 -3.716 -5.634) 6.749 15.517 ( 0.000 -1.098 -17.533) 17.568 15.631 ( 0.000 -9.562 -3.397) 10.148 16.272 ( 0.000 -15.012 -2.194) 15.171 16.462 ( 0.000 12.701 -22.905) 26.191 16.597 ( 0.000 -2.079 -3.843) 4.369 17.159 ( 0.000 -2.917 14.146) 14.444 17.310 ( 0.000 -13.980 -1.562) 14.067 17.481 ( 0.000 -10.549 -3.634) 11.158 17.796 ( 0.000 -7.175 11.099) 13.216 18.045 ( 0.000 -5.749 6.950) 9.019 18.131 ( 0.000 -8.657 6.461) 10.802 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.25 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 12.896 17.863 9.076) 23.828 1.544 ( 18.572 13.632 18.087) 29.290 1.895 ( -10.842 6.638 5.720) 13.940 2.145 ( -9.075 16.083 3.122) 18.728 2.254 ( 0.520 0.903 0.457) 1.138 2.291 ( -0.327 2.857 2.028) 3.519 2.501 ( 6.663 27.249 8.918) 29.436 2.549 ( 2.465 1.873 -1.649) 3.508 2.619 ( 2.568 2.300 -0.801) 3.539 2.760 ( 2.046 1.324 -1.911) 3.097 2.774 ( -1.177 -2.382 -3.637) 4.504 2.830 ( -0.163 4.501 -1.498) 4.747 2.877 ( 1.806 -1.005 1.559) 2.589 3.033 ( -3.142 3.361 -1.119) 4.735 3.056 ( -2.153 4.012 -2.265) 5.085 3.120 ( 1.593 -4.988 -0.843) 5.304 3.126 ( -1.837 2.395 -1.135) 3.225 3.189 ( -1.722 -0.258 0.555) 1.827 3.384 ( -8.973 -2.371 0.302) 9.286 3.435 ( 0.208 -6.478 -0.043) 6.482 3.505 ( 1.144 1.019 -2.648) 3.059 3.564 ( 3.331 -0.714 -0.770) 3.492 3.705 ( -7.293 1.475 1.926) 7.686 3.729 ( -6.256 2.485 8.876) 11.140 3.793 ( -0.474 -1.291 4.021) 4.250 3.925 ( 1.936 -6.720 -2.466) 7.416 3.974 ( -1.988 -0.883 -0.642) 2.268 4.024 ( 2.382 -4.688 -0.445) 5.278 4.158 ( -6.428 0.476 1.199) 6.556 4.353 ( -4.045 -3.932 0.100) 5.641 4.389 ( -1.937 0.204 1.415) 2.407 4.560 ( 1.045 9.238 -2.147) 9.542 4.641 ( 10.754 2.586 3.444) 11.585 4.915 ( 13.871 -1.082 -0.846) 13.939 5.086 ( -3.904 7.318 -2.438) 8.645 5.122 ( -0.374 4.200 -2.819) 5.072 5.167 ( 1.124 10.285 0.503) 10.358 5.178 ( 1.313 9.492 -2.403) 9.879 5.263 ( -0.927 9.243 1.263) 9.375 5.313 ( -1.010 5.328 2.351) 5.911 5.446 ( -0.729 1.034 1.653) 2.082 5.521 ( -2.127 2.144 1.459) 3.354 5.713 ( 8.052 2.830 1.903) 8.745 5.914 ( 0.926 28.009 3.202) 28.207 5.973 ( -3.582 16.071 1.953) 16.581 6.041 ( -3.239 9.672 -0.227) 10.202 6.336 ( 2.430 11.343 -2.314) 11.829 6.493 ( -3.600 10.484 -3.182) 11.532 6.977 ( 7.570 4.711 -10.990) 14.152 7.144 ( -1.709 0.411 -4.109) 4.469 7.317 ( 2.109 -1.804 -4.407) 5.208 7.365 ( 3.808 6.748 0.827) 7.792 7.430 ( -0.396 -0.445 -6.058) 6.087 7.504 ( 5.591 28.653 -1.269) 29.221 7.772 ( -7.722 8.441 10.083) 15.249 7.840 ( -0.468 9.733 -0.808) 9.778 7.975 ( -2.282 11.162 -3.824) 12.018 8.049 ( -8.645 4.377 -3.348) 10.252 8.206 ( -3.029 3.163 -6.065) 7.481 8.319 ( 0.373 1.672 -0.772) 1.879 8.479 ( -11.838 13.129 5.983) 18.663 8.555 ( -8.903 8.960 3.506) 13.109 8.850 ( 14.378 2.606 6.136) 15.848 8.952 ( 9.961 2.792 3.443) 10.903 9.056 ( 1.342 5.187 4.562) 7.037 9.186 ( -4.957 2.825 -3.569) 6.730 9.347 ( 7.192 6.836 -3.510) 10.525 9.725 ( -7.008 18.451 0.741) 19.751 9.842 ( 2.838 23.741 -1.762) 23.975 10.044 ( -6.566 29.501 0.788) 30.233 10.180 ( 11.668 5.835 -1.249) 13.105 10.482 ( 8.908 -0.187 6.394) 10.967 10.544 ( -4.947 10.326 3.099) 11.862 10.730 ( 11.465 -2.692 -3.631) 12.324 10.905 ( 2.403 7.794 2.183) 8.443 11.010 ( -0.012 5.388 -1.538) 5.603 11.190 ( -3.379 9.698 0.502) 10.282 11.433 ( 3.146 6.447 -8.915) 11.443 11.460 ( 0.204 16.562 -0.516) 16.572 11.662 ( -0.362 6.556 -3.552) 7.465 11.717 ( -2.339 6.944 -2.345) 7.694 11.844 ( -8.565 5.828 -8.485) 13.391 12.020 ( -0.316 17.054 -1.118) 17.093 12.072 ( -0.797 13.298 -3.209) 13.703 12.723 ( 1.304 -0.755 3.917) 4.197 12.859 ( -4.305 2.309 5.130) 7.084 12.958 ( 2.528 2.161 2.433) 4.121 13.054 ( -2.297 -6.461 4.802) 8.371 13.519 ( 1.180 -8.984 -2.618) 9.432 13.583 ( -1.029 -8.899 1.490) 9.082 13.651 ( 5.867 -0.198 -1.439) 6.044 13.977 ( -7.383 -1.171 1.984) 7.734 14.209 ( 5.456 1.397 -0.070) 5.632 14.538 ( -8.182 1.335 -1.876) 8.500 14.777 ( 2.739 3.124 2.173) 4.689 14.980 ( -5.816 0.252 7.112) 9.190 15.276 ( 2.522 -1.982 -7.602) 8.251 15.455 ( -4.621 -2.883 -13.560) 14.612 15.759 ( 9.551 -3.410 -5.377) 11.479 16.155 ( -8.525 -2.135 -6.729) 11.069 16.521 ( 3.721 -2.377 -12.307) 13.075 16.614 ( 0.445 -5.824 -7.406) 9.432 17.128 ( 0.444 -3.091 12.165) 12.560 17.341 ( -3.252 -6.223 0.062) 7.022 17.516 ( 6.413 -12.599 0.840) 14.162 17.773 ( -2.326 -7.057 4.516) 8.695 18.042 ( 0.109 -6.999 9.251) 11.601 18.113 ( -1.697 -8.218 6.965) 10.905 ======================= Grid point 57 (24/60) ======================= q-point: (-0.50 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -18.522 12.481 4.535) 22.791 1.567 ( 18.522 12.481 4.535) 22.791 1.907 ( -14.378 16.323 7.819) 23.116 1.907 ( 14.378 16.323 7.819) 23.116 2.276 ( -1.142 0.046 1.150) 1.621 2.276 ( 1.142 0.046 1.150) 1.621 2.567 ( -2.244 -2.255 -3.794) 4.951 2.567 ( 2.244 -2.255 -3.794) 4.951 2.720 ( -4.187 1.455 -1.445) 4.662 2.720 ( 4.187 1.455 -1.445) 4.662 2.882 ( -4.188 2.803 1.947) 5.402 2.882 ( 4.188 2.803 1.947) 5.402 2.928 ( -4.968 11.941 3.274) 13.342 2.928 ( 4.968 11.941 3.274) 13.342 3.040 ( -6.072 10.660 3.791) 12.841 3.040 ( 6.072 10.660 3.791) 12.841 3.110 ( -4.285 -1.150 3.719) 5.789 3.110 ( 4.285 -1.150 3.719) 5.789 3.315 ( -8.326 -6.433 -2.199) 10.749 3.315 ( 8.326 -6.433 -2.199) 10.749 3.580 ( -3.474 -2.047 0.333) 4.046 3.580 ( 3.474 -2.047 0.333) 4.046 3.662 ( -4.275 0.104 0.618) 4.321 3.662 ( 4.275 0.104 0.618) 4.321 3.876 ( -6.376 0.607 -0.972) 6.478 3.876 ( 6.376 0.607 -0.972) 6.478 4.000 ( -3.997 -3.117 -0.569) 5.100 4.000 ( 3.997 -3.117 -0.569) 5.100 4.176 ( -7.909 -7.716 0.639) 11.068 4.176 ( 7.909 -7.716 0.639) 11.068 4.473 ( -5.298 7.495 0.670) 9.203 4.473 ( 5.298 7.495 0.670) 9.203 4.908 ( -11.457 3.113 -0.620) 11.888 4.908 ( 11.457 3.113 -0.620) 11.888 5.119 ( -3.736 3.210 -3.879) 6.270 5.119 ( 3.736 3.210 -3.879) 6.270 5.186 ( -1.561 9.216 -0.049) 9.347 5.186 ( 1.561 9.216 -0.049) 9.347 5.267 ( -2.561 6.496 2.184) 7.317 5.267 ( 2.561 6.496 2.184) 7.317 5.469 ( -2.443 1.842 1.874) 3.588 5.469 ( 2.443 1.842 1.874) 3.588 5.869 ( -6.456 9.466 1.738) 11.589 5.869 ( 6.456 9.466 1.738) 11.589 5.962 ( -3.615 18.764 1.914) 19.205 5.962 ( 3.615 18.764 1.914) 19.205 6.406 ( -4.246 11.313 -3.546) 12.593 6.406 ( 4.246 11.313 -3.546) 12.593 7.098 ( -3.357 1.143 -6.543) 7.442 7.098 ( 3.357 1.143 -6.543) 7.442 7.372 ( -2.711 -2.419 -3.605) 5.118 7.372 ( 2.711 -2.419 -3.605) 5.118 7.535 ( -6.024 9.669 -0.930) 11.430 7.535 ( 6.024 9.669 -0.930) 11.430 7.741 ( -7.474 8.684 -0.917) 11.494 7.741 ( 7.474 8.684 -0.917) 11.494 7.912 ( -3.379 20.382 -1.039) 20.686 7.912 ( 3.379 20.382 -1.039) 20.686 8.272 ( -5.641 8.662 6.322) 12.117 8.272 ( 5.641 8.662 6.322) 12.117 8.389 ( -5.000 2.921 -1.610) 6.010 8.389 ( 5.000 2.921 -1.610) 6.010 9.007 ( -5.148 -1.758 -0.222) 5.444 9.007 ( 5.148 -1.758 -0.222) 5.444 9.169 ( -2.839 9.667 1.912) 10.255 9.169 ( 2.839 9.667 1.912) 10.255 9.515 ( -11.386 9.217 2.607) 14.879 9.515 ( 11.386 9.217 2.607) 14.879 9.906 ( -4.557 27.893 -0.270) 28.264 9.906 ( 4.557 27.893 -0.270) 28.264 10.405 ( -5.951 9.269 0.290) 11.019 10.405 ( 5.951 9.269 0.290) 11.019 10.701 ( -12.824 15.751 0.396) 20.315 10.701 ( 12.824 15.751 0.396) 20.315 10.977 ( -2.335 -3.366 -2.397) 4.746 10.977 ( 2.335 -3.366 -2.397) 4.746 11.327 ( -12.228 6.143 -4.119) 14.291 11.327 ( 12.228 6.143 -4.119) 14.291 11.555 ( -8.035 7.946 -6.632) 13.103 11.555 ( 8.035 7.946 -6.632) 13.103 11.731 ( -3.248 6.234 -1.670) 7.225 11.731 ( 3.248 6.234 -1.670) 7.225 12.039 ( -1.879 15.805 -0.487) 15.924 12.039 ( 1.879 15.805 -0.487) 15.924 12.769 ( -3.440 -0.317 2.357) 4.182 12.769 ( 3.440 -0.317 2.357) 4.182 13.007 ( -2.244 -2.885 5.307) 6.444 13.007 ( 2.244 -2.885 5.307) 6.444 13.552 ( -1.819 -9.571 -0.352) 9.749 13.552 ( 1.819 -9.571 -0.352) 9.749 13.804 ( -8.565 0.641 0.531) 8.606 13.804 ( 8.565 0.641 0.531) 8.606 14.354 ( -8.586 0.021 -2.515) 8.946 14.354 ( 8.586 0.021 -2.515) 8.946 14.861 ( -5.272 1.396 6.449) 8.446 14.861 ( 5.272 1.396 6.449) 8.446 15.353 ( -4.727 -1.951 -10.531) 11.707 15.353 ( 4.727 -1.951 -10.531) 11.707 15.964 ( -9.838 0.713 -6.200) 11.651 15.964 ( 9.838 0.713 -6.200) 11.651 16.589 ( -2.638 -8.796 -8.401) 12.446 16.589 ( 2.638 -8.796 -8.401) 12.446 17.212 ( -6.748 -2.451 7.701) 10.528 17.212 ( 6.748 -2.451 7.701) 10.528 17.677 ( -7.114 -9.758 -0.078) 12.076 17.677 ( 7.114 -9.758 -0.078) 12.076 18.068 ( -2.274 -7.730 9.050) 12.117 18.068 ( 2.274 -7.730 9.050) 12.117 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 0.000 19.428 10.146) 21.918 1.647 ( 0.000 18.348 14.085) 23.131 2.056 ( 0.000 1.910 5.685) 5.997 2.249 ( 0.000 -0.591 1.933) 2.021 2.274 ( 0.000 -0.685 2.911) 2.991 2.433 ( 0.000 2.553 -2.192) 3.365 2.523 ( 0.000 -2.784 1.353) 3.095 2.648 ( 0.000 -0.793 1.860) 2.022 2.674 ( 0.000 4.492 1.392) 4.702 2.717 ( 0.000 -5.981 0.752) 6.028 2.787 ( 0.000 -12.943 1.982) 13.094 2.883 ( 0.000 2.671 -0.125) 2.674 2.906 ( 0.000 -2.853 1.055) 3.041 2.926 ( 0.000 3.004 -2.203) 3.725 3.094 ( 0.000 -8.761 0.680) 8.787 3.285 ( 0.000 11.724 -7.502) 13.919 3.292 ( 0.000 7.111 -0.419) 7.124 3.360 ( 0.000 6.631 -1.601) 6.822 3.383 ( 0.000 4.886 -3.471) 5.993 3.396 ( 0.000 6.903 0.658) 6.934 3.457 ( 0.000 2.262 -3.828) 4.447 3.558 ( 0.000 7.492 2.479) 7.891 3.642 ( 0.000 -4.834 -1.404) 5.034 3.679 ( 0.000 -2.768 -2.226) 3.552 3.820 ( 0.000 -4.877 4.946) 6.946 3.875 ( 0.000 -4.884 2.569) 5.518 3.973 ( 0.000 1.525 -1.184) 1.930 4.195 ( 0.000 -1.446 4.938) 5.145 4.245 ( 0.000 6.310 5.443) 8.334 4.350 ( 0.000 6.516 3.701) 7.494 4.424 ( 0.000 3.309 -3.756) 5.006 4.485 ( 0.000 -6.465 3.969) 7.586 4.586 ( 0.000 -2.351 -1.731) 2.920 4.822 ( 0.000 6.107 -2.064) 6.446 5.156 ( 0.000 2.544 -3.691) 4.483 5.214 ( 0.000 1.290 -6.054) 6.190 5.298 ( 0.000 5.554 2.969) 6.298 5.314 ( 0.000 5.010 0.918) 5.093 5.363 ( 0.000 1.259 0.831) 1.509 5.424 ( 0.000 3.296 -0.726) 3.376 5.524 ( 0.000 2.922 3.245) 4.367 5.556 ( 0.000 -2.714 2.645) 3.790 5.642 ( 0.000 2.693 1.731) 3.201 5.932 ( 0.000 -14.144 0.651) 14.159 6.405 ( 0.000 21.747 -0.054) 21.747 6.526 ( 0.000 27.018 3.041) 27.188 6.686 ( 0.000 8.277 1.138) 8.355 6.747 ( 0.000 19.261 -0.259) 19.263 7.113 ( 0.000 13.156 -17.377) 21.795 7.177 ( 0.000 3.917 -4.653) 6.082 7.252 ( 0.000 -1.764 -3.267) 3.713 7.377 ( 0.000 -2.093 -6.004) 6.359 7.480 ( 0.000 6.982 -0.850) 7.034 7.770 ( 0.000 -4.039 -0.028) 4.039 7.834 ( 0.000 -0.195 -8.078) 8.080 8.031 ( 0.000 -5.414 -1.421) 5.598 8.049 ( 0.000 3.594 19.140) 19.474 8.184 ( 0.000 5.290 2.431) 5.822 8.385 ( 0.000 10.064 -0.062) 10.064 8.573 ( 0.000 0.979 -5.687) 5.771 8.659 ( 0.000 5.906 -3.042) 6.643 8.861 ( 0.000 22.414 -3.592) 22.700 8.949 ( 0.000 6.052 8.775) 10.660 8.990 ( 0.000 8.411 8.665) 12.076 9.107 ( 0.000 -7.849 -3.714) 8.683 9.259 ( 0.000 18.023 9.657) 20.448 9.432 ( 0.000 6.170 -7.085) 9.395 9.948 ( 0.000 2.340 -4.258) 4.859 10.102 ( 0.000 17.450 1.765) 17.539 10.222 ( 0.000 5.010 1.161) 5.143 10.449 ( 0.000 -0.051 4.097) 4.098 10.519 ( 0.000 5.997 9.323) 11.085 10.648 ( 0.000 -0.058 0.394) 0.398 10.697 ( 0.000 23.976 -4.713) 24.435 11.200 ( 0.000 10.315 0.857) 10.351 11.211 ( 0.000 21.552 1.494) 21.604 11.544 ( 0.000 7.917 -13.181) 15.376 11.556 ( 0.000 20.472 8.966) 22.349 11.831 ( 0.000 9.842 -5.333) 11.194 11.883 ( 0.000 21.192 -3.894) 21.546 11.937 ( 0.000 13.460 -6.194) 14.817 12.159 ( 0.000 3.934 -1.637) 4.261 12.249 ( 0.000 16.233 -3.351) 16.575 12.443 ( 0.000 21.604 -0.450) 21.609 12.678 ( 0.000 -1.547 3.567) 3.888 12.829 ( 0.000 -16.664 5.570) 17.570 12.893 ( 0.000 -5.229 6.074) 8.015 13.076 ( 0.000 6.509 -4.349) 7.828 13.289 ( 0.000 -12.469 -2.309) 12.681 13.384 ( 0.000 -12.668 3.020) 13.023 13.575 ( 0.000 -0.721 -1.536) 1.697 13.878 ( 0.000 -12.642 -1.647) 12.749 14.349 ( 0.000 14.736 0.408) 14.742 14.746 ( 0.000 6.968 4.547) 8.320 14.787 ( 0.000 2.285 -8.395) 8.700 15.113 ( 0.000 -9.629 -5.236) 10.960 15.162 ( 0.000 8.012 2.919) 8.527 15.432 ( 0.000 -9.276 -1.829) 9.454 15.551 ( 0.000 4.132 -9.412) 10.279 15.917 ( 0.000 -20.378 0.630) 20.388 16.509 ( 0.000 -7.176 -10.183) 12.457 16.662 ( 0.000 5.758 -21.542) 22.299 17.005 ( 0.000 -13.872 -2.687) 14.129 17.155 ( 0.000 2.911 15.536) 15.807 17.286 ( 0.000 -7.748 -5.157) 9.307 17.691 ( 0.000 -3.737 12.419) 12.969 17.911 ( 0.000 -7.530 8.450) 11.318 17.923 ( 0.000 -12.218 7.446) 14.308 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.25 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 10.109 19.044 5.051) 22.144 1.809 ( 13.727 13.365 14.001) 23.730 2.018 ( -4.647 5.398 6.030) 9.333 2.233 ( -1.217 -0.531 0.475) 1.410 2.267 ( -0.639 -0.577 3.333) 3.442 2.420 ( -3.219 5.868 0.338) 6.701 2.496 ( -2.707 -1.332 -1.178) 3.239 2.587 ( -2.797 -1.283 -0.184) 3.083 2.700 ( 0.487 0.592 -1.084) 1.327 2.721 ( -3.801 -2.123 -0.581) 4.392 2.777 ( 1.859 -4.385 2.381) 5.325 2.828 ( 2.758 -8.943 0.324) 9.364 2.893 ( -0.710 -4.919 2.532) 5.578 3.011 ( 2.947 -1.166 -0.413) 3.196 3.058 ( -2.522 -7.797 3.915) 9.082 3.209 ( -2.472 11.085 -2.639) 11.660 3.241 ( -7.626 -0.434 -2.077) 7.916 3.310 ( -4.486 0.677 0.218) 4.542 3.395 ( 3.618 12.698 -3.031) 13.546 3.449 ( 3.518 11.190 -0.699) 11.751 3.527 ( 3.698 2.693 -1.251) 4.742 3.585 ( 1.288 5.736 1.079) 5.977 3.695 ( 3.704 -1.258 -3.396) 5.180 3.726 ( 0.116 -1.253 4.027) 4.219 3.771 ( 3.965 -7.519 -3.090) 9.045 3.901 ( -9.191 1.691 3.126) 9.854 3.934 ( 2.028 0.159 1.255) 2.390 4.014 ( -5.162 11.125 6.891) 14.068 4.122 ( -7.027 -1.935 -0.077) 7.289 4.235 ( -11.809 -5.287 0.125) 12.939 4.475 ( 5.840 4.757 -0.730) 7.567 4.656 ( 14.512 1.833 2.200) 14.792 4.762 ( -4.991 5.939 -1.128) 7.839 4.869 ( 15.253 -3.589 -1.106) 15.708 5.160 ( -4.856 2.064 -3.723) 6.458 5.182 ( -1.218 2.293 -2.893) 3.887 5.263 ( 0.432 2.655 -1.379) 3.023 5.323 ( -0.802 2.229 0.858) 2.519 5.364 ( -0.030 3.594 0.933) 3.713 5.394 ( -2.190 3.306 0.826) 4.051 5.504 ( -0.834 2.931 3.520) 4.656 5.539 ( -1.165 -0.031 2.864) 3.092 5.722 ( 5.808 -2.067 1.172) 6.275 5.913 ( -2.070 -12.304 0.319) 12.482 6.413 ( 0.848 22.366 1.333) 22.422 6.496 ( -2.439 25.896 3.062) 26.190 6.700 ( 0.929 11.970 0.257) 12.009 6.740 ( -0.655 16.944 0.184) 16.958 7.125 ( 1.168 9.866 -14.483) 17.563 7.178 ( -0.142 4.559 -5.860) 7.426 7.266 ( 1.650 -2.203 -3.184) 4.209 7.367 ( -1.218 -1.362 -3.103) 3.602 7.514 ( 2.992 4.716 -1.646) 5.822 7.662 ( -5.859 -1.463 0.513) 6.061 7.897 ( -1.363 -0.797 2.984) 3.376 7.930 ( -0.666 3.027 4.381) 5.366 8.018 ( -1.427 -4.128 -1.246) 4.542 8.253 ( 6.077 2.748 0.653) 6.701 8.337 ( -16.028 8.366 -8.557) 20.003 8.456 ( 1.449 8.586 -1.299) 8.804 8.760 ( -0.134 10.745 -2.408) 11.013 8.813 ( -3.717 12.799 4.031) 13.924 8.910 ( -0.213 2.578 3.128) 4.059 9.051 ( 0.550 1.457 1.498) 2.161 9.123 ( 12.529 15.039 1.984) 19.674 9.362 ( 4.313 15.366 6.423) 17.204 9.483 ( 5.827 6.253 -0.066) 8.547 10.003 ( -4.646 9.280 1.804) 10.533 10.162 ( 2.962 6.010 -0.492) 6.719 10.261 ( -2.023 7.769 8.377) 11.603 10.469 ( 9.678 2.831 -6.052) 11.760 10.570 ( 14.259 -0.597 4.494) 14.962 10.743 ( 5.450 14.891 -6.921) 17.302 10.822 ( 9.341 13.146 3.664) 16.537 11.076 ( -9.505 15.567 1.464) 18.298 11.219 ( 0.912 12.719 -0.417) 12.759 11.417 ( -10.696 12.208 -5.215) 17.048 11.655 ( 6.393 16.373 -0.751) 17.592 11.766 ( -11.045 10.166 -10.095) 18.090 11.859 ( 0.746 15.959 -1.399) 16.038 11.941 ( -1.057 10.777 -2.484) 11.110 11.990 ( -8.141 13.072 -0.971) 15.431 12.309 ( 1.008 11.624 1.850) 11.814 12.358 ( -4.717 14.252 4.311) 15.619 12.731 ( 2.508 1.003 -1.582) 3.130 12.796 ( -2.256 -11.411 1.269) 11.701 12.911 ( 1.990 -4.183 5.104) 6.893 13.050 ( -2.558 7.169 -2.383) 7.976 13.282 ( 0.188 -14.255 -1.915) 14.384 13.357 ( -2.254 -13.776 2.350) 14.155 13.645 ( 5.461 -2.138 0.034) 5.865 13.847 ( -2.968 -11.448 -1.202) 11.887 14.354 ( 1.022 13.023 -1.178) 13.116 14.585 ( -9.692 4.112 -4.045) 11.279 14.871 ( 3.694 6.120 0.929) 7.208 15.025 ( -4.800 2.112 3.025) 6.054 15.213 ( 2.728 -1.736 -4.632) 5.649 15.351 ( -4.118 -7.051 -6.791) 10.621 15.730 ( 10.772 -0.577 -4.499) 11.688 15.921 ( 0.050 -18.263 0.099) 18.264 16.476 ( -1.674 -6.580 -10.024) 12.107 16.604 ( -5.070 7.724 -17.497) 19.787 17.053 ( 4.184 -8.269 -1.781) 9.437 17.220 ( 0.815 -5.073 -1.324) 5.305 17.305 ( 5.795 -4.900 8.074) 11.080 17.651 ( -4.512 -4.520 8.896) 10.951 17.877 ( -1.109 -9.913 10.960) 14.819 17.923 ( -1.050 -10.358 7.999) 13.129 ======================= Grid point 62 (27/60) ======================= q-point: (-0.50 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -12.058 13.776 4.460) 18.843 1.833 ( 12.058 13.776 4.460) 18.843 2.120 ( -12.935 6.437 4.797) 15.223 2.120 ( 12.935 6.437 4.797) 15.223 2.284 ( -3.699 1.243 3.535) 5.265 2.284 ( 3.699 1.243 3.535) 5.265 2.519 ( -3.847 -1.642 -3.191) 5.261 2.519 ( 3.847 -1.642 -3.191) 5.261 2.696 ( -1.307 -1.189 -1.768) 2.500 2.696 ( 1.307 -1.189 -1.768) 2.500 2.828 ( -3.297 -5.879 3.509) 7.599 2.828 ( 3.297 -5.879 3.509) 7.599 2.964 ( -6.115 -6.891 5.502) 10.731 2.964 ( 6.115 -6.891 5.502) 10.731 3.094 ( -5.073 -5.640 -2.547) 8.002 3.094 ( 5.073 -5.640 -2.547) 8.002 3.217 ( -3.040 8.203 0.459) 8.760 3.217 ( 3.040 8.203 0.459) 8.760 3.481 ( -2.881 8.858 -3.635) 9.999 3.481 ( 2.881 8.858 -3.635) 9.999 3.573 ( -2.852 4.335 2.972) 5.980 3.573 ( 2.852 4.335 2.972) 5.980 3.693 ( -2.614 6.092 3.104) 7.320 3.693 ( 2.614 6.092 3.104) 7.320 3.879 ( -3.330 -2.376 -3.547) 5.414 3.879 ( 3.330 -2.376 -3.547) 5.414 3.954 ( -3.561 3.808 0.467) 5.235 3.954 ( 3.561 3.808 0.467) 5.235 4.038 ( -5.351 -4.141 2.115) 7.089 4.038 ( 5.351 -4.141 2.115) 7.089 4.619 ( -7.594 6.049 -0.233) 9.711 4.619 ( 7.594 6.049 -0.233) 9.711 4.947 ( -12.875 0.952 -0.100) 12.911 4.947 ( 12.875 0.952 -0.100) 12.911 5.130 ( -8.132 -1.812 -3.873) 9.187 5.130 ( 8.132 -1.812 -3.873) 9.187 5.281 ( -1.611 2.174 -0.358) 2.729 5.281 ( 1.611 2.174 -0.358) 2.729 5.369 ( -1.047 3.796 1.227) 4.124 5.369 ( 1.047 3.796 1.227) 4.124 5.511 ( -1.261 1.916 3.445) 4.138 5.511 ( 1.261 1.916 3.445) 4.138 5.839 ( -4.973 -7.704 0.346) 9.176 5.839 ( 4.973 -7.704 0.346) 9.176 6.445 ( -2.206 23.972 2.946) 24.253 6.445 ( 2.206 23.972 2.946) 24.253 6.720 ( -1.144 15.346 -0.392) 15.393 6.720 ( 1.144 15.346 -0.392) 15.393 7.158 ( -1.685 5.677 -8.798) 10.605 7.158 ( 1.685 5.677 -8.798) 10.605 7.321 ( -3.084 -1.679 -2.469) 4.293 7.321 ( 3.084 -1.679 -2.469) 4.293 7.574 ( -2.926 -0.986 2.707) 4.106 7.574 ( 2.926 -0.986 2.707) 4.106 7.921 ( -5.002 1.933 0.063) 5.363 7.921 ( 5.002 1.933 0.063) 5.363 8.050 ( -7.996 4.845 -5.043) 10.623 8.050 ( 7.996 4.845 -5.043) 10.623 8.399 ( -6.771 0.090 -0.193) 6.775 8.399 ( 6.771 0.090 -0.193) 6.775 8.743 ( -2.217 22.139 -0.515) 22.256 8.743 ( 2.217 22.139 -0.515) 22.256 8.980 ( -4.336 -0.761 -1.708) 4.722 8.980 ( 4.336 -0.761 -1.708) 4.722 9.390 ( -3.950 14.642 3.228) 15.505 9.390 ( 3.950 14.642 3.228) 15.505 9.700 ( -17.498 9.748 8.643) 21.815 9.700 ( 17.498 9.748 8.643) 21.815 10.214 ( -2.283 3.504 3.206) 5.270 10.214 ( 2.283 3.504 3.206) 5.270 10.768 ( -8.951 12.935 -6.975) 17.207 10.768 ( 8.951 12.935 -6.975) 17.207 10.847 ( -5.745 6.987 -1.037) 9.106 10.847 ( 5.745 6.987 -1.037) 9.106 11.073 ( -14.598 13.939 0.506) 20.191 11.073 ( 14.598 13.939 0.506) 20.191 11.430 ( -16.729 5.352 -6.134) 18.605 11.430 ( 16.729 5.352 -6.134) 18.605 11.809 ( -7.891 15.105 0.921) 17.067 11.809 ( 7.891 15.105 0.921) 17.067 11.914 ( -2.673 14.181 -2.209) 14.599 11.914 ( 2.673 14.181 -2.209) 14.599 12.307 ( -0.379 9.782 5.392) 11.176 12.307 ( 0.379 9.782 5.392) 11.176 12.763 ( -1.228 -3.575 -3.418) 5.096 12.763 ( 1.228 -3.575 -3.418) 5.096 12.977 ( -4.025 3.281 1.860) 5.516 12.977 ( 4.025 3.281 1.860) 5.516 13.308 ( -2.108 -14.955 0.118) 15.103 13.308 ( 2.108 -14.955 0.118) 15.103 13.761 ( -5.236 -6.839 0.332) 8.620 13.761 ( 5.236 -6.839 0.332) 8.620 14.418 ( -5.658 7.986 -3.942) 10.551 14.418 ( 5.658 7.986 -3.942) 10.551 14.942 ( -3.497 5.875 3.648) 7.749 14.942 ( 3.497 5.875 3.648) 7.749 15.274 ( -3.338 -5.033 -6.795) 9.091 15.274 ( 3.338 -5.033 -6.795) 9.091 15.890 ( -4.092 -10.241 -1.840) 11.181 15.890 ( 4.092 -10.241 -1.840) 11.181 16.497 ( -3.994 2.076 -12.439) 13.229 16.497 ( 3.994 2.076 -12.439) 13.229 17.154 ( -4.950 -5.249 -2.767) 7.727 17.154 ( 4.950 -5.249 -2.767) 7.727 17.497 ( -9.762 -6.149 7.896) 13.980 17.497 ( 9.762 -6.149 7.896) 13.980 17.889 ( -1.762 -10.193 10.351) 14.633 17.889 ( 1.762 -10.193 10.351) 14.633 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 0.000 16.389 4.518) 17.000 1.976 ( 0.000 12.216 6.974) 14.066 2.064 ( 0.000 -0.590 4.593) 4.631 2.205 ( 0.000 -5.628 3.943) 6.872 2.267 ( 0.000 1.378 4.858) 5.050 2.372 ( 0.000 -7.881 1.986) 8.127 2.501 ( 0.000 0.966 1.541) 1.819 2.559 ( 0.000 -5.893 1.367) 6.050 2.624 ( 0.000 -2.870 6.564) 7.164 2.656 ( 0.000 -5.306 6.083) 8.072 2.707 ( 0.000 4.734 -0.542) 4.765 2.813 ( 0.000 -4.921 -1.031) 5.028 2.949 ( 0.000 0.568 -1.968) 2.048 2.952 ( 0.000 0.664 -0.152) 0.681 3.006 ( 0.000 4.991 -0.067) 4.992 3.179 ( 0.000 -10.179 0.173) 10.180 3.437 ( 0.000 2.458 -7.232) 7.638 3.445 ( 0.000 1.666 -7.362) 7.549 3.448 ( 0.000 3.425 -2.567) 4.280 3.523 ( 0.000 5.520 -3.260) 6.411 3.523 ( 0.000 -4.470 -3.409) 5.622 3.533 ( 0.000 5.142 -1.424) 5.336 3.664 ( 0.000 1.800 -1.534) 2.365 3.701 ( 0.000 -2.086 -0.540) 2.155 3.732 ( 0.000 -3.383 3.142) 4.617 3.779 ( 0.000 -5.538 3.780) 6.705 4.201 ( 0.000 4.644 3.018) 5.538 4.299 ( 0.000 -4.827 4.126) 6.350 4.316 ( 0.000 21.248 2.066) 21.348 4.400 ( 0.000 4.085 0.914) 4.186 4.482 ( 0.000 5.857 1.483) 6.042 4.483 ( 0.000 0.271 0.301) 0.404 4.529 ( 0.000 -0.853 2.550) 2.689 4.792 ( 0.000 -10.901 1.501) 11.004 5.194 ( 0.000 1.459 -3.981) 4.240 5.216 ( 0.000 -0.728 -4.446) 4.505 5.380 ( 0.000 2.943 0.304) 2.959 5.400 ( 0.000 3.489 1.757) 3.907 5.420 ( 0.000 3.326 -1.145) 3.517 5.462 ( 0.000 1.007 -1.128) 1.512 5.494 ( 0.000 -1.081 1.522) 1.867 5.577 ( 0.000 2.363 3.116) 3.911 5.630 ( 0.000 -4.130 2.259) 4.708 5.646 ( 0.000 -11.452 1.846) 11.600 6.735 ( 0.000 9.943 -3.731) 10.620 6.794 ( 0.000 2.653 -2.812) 3.866 6.902 ( 0.000 9.158 2.504) 9.494 6.947 ( 0.000 2.332 0.527) 2.391 7.257 ( 0.000 2.483 -3.463) 4.261 7.269 ( 0.000 3.336 -8.850) 9.457 7.384 ( 0.000 3.610 -5.504) 6.583 7.389 ( 0.000 9.429 -8.262) 12.536 7.608 ( 0.000 6.047 4.259) 7.396 7.701 ( 0.000 0.420 -3.519) 3.544 7.741 ( 0.000 -7.157 -4.276) 8.337 7.860 ( 0.000 -10.662 -0.815) 10.693 8.134 ( 0.000 4.346 14.517) 15.154 8.201 ( 0.000 -2.058 7.222) 7.509 8.510 ( 0.000 3.734 -2.445) 4.463 8.563 ( 0.000 -1.734 -5.175) 5.458 8.783 ( 0.000 6.722 -0.841) 6.775 8.925 ( 0.000 -7.435 0.140) 7.437 9.016 ( 0.000 1.693 7.018) 7.219 9.027 ( 0.000 0.173 7.076) 7.079 9.258 ( 0.000 12.160 -0.370) 12.166 9.438 ( 0.000 -5.457 -4.413) 7.018 9.756 ( 0.000 25.413 0.901) 25.429 10.080 ( 0.000 9.889 0.794) 9.921 10.136 ( 0.000 -12.137 -0.804) 12.164 10.291 ( 0.000 -9.902 1.863) 10.076 10.467 ( 0.000 16.615 -3.953) 17.079 10.655 ( 0.000 -1.712 -4.229) 4.562 10.694 ( 0.000 6.845 10.587) 12.607 10.825 ( 0.000 -5.854 5.776) 8.224 11.535 ( 0.000 15.700 -7.722) 17.496 11.656 ( 0.000 1.644 -12.776) 12.881 11.680 ( 0.000 23.991 2.293) 24.101 11.891 ( 0.000 13.942 8.337) 16.244 12.015 ( 0.000 -1.130 -5.051) 5.176 12.081 ( 0.000 -1.807 6.062) 6.326 12.178 ( 0.000 10.306 -7.574) 12.790 12.270 ( 0.000 4.642 -11.750) 12.634 12.546 ( 0.000 -1.865 4.320) 4.705 12.621 ( 0.000 -8.685 4.658) 9.855 12.633 ( 0.000 13.695 2.714) 13.961 12.664 ( 0.000 6.660 1.653) 6.862 12.863 ( 0.000 -10.422 -1.911) 10.596 12.995 ( 0.000 -4.473 0.102) 4.474 13.120 ( 0.000 3.001 7.475) 8.055 13.339 ( 0.000 10.854 -3.588) 11.431 13.459 ( 0.000 -13.146 2.638) 13.408 13.597 ( 0.000 -14.817 -3.591) 15.246 14.645 ( 0.000 12.801 -8.002) 15.097 14.814 ( 0.000 -2.524 -10.405) 10.706 14.909 ( 0.000 7.483 1.278) 7.591 14.945 ( 0.000 -3.463 -6.823) 7.652 15.219 ( 0.000 0.612 -0.959) 1.138 15.463 ( 0.000 11.990 3.911) 12.612 15.478 ( 0.000 -20.084 4.847) 20.661 15.629 ( 0.000 -2.189 -1.370) 2.582 16.383 ( 0.000 -1.592 -11.016) 11.130 16.529 ( 0.000 -13.727 -11.425) 17.860 16.969 ( 0.000 6.404 -12.863) 14.369 17.102 ( 0.000 -6.573 -10.456) 12.350 17.356 ( 0.000 11.886 13.654) 18.103 17.607 ( 0.000 -9.922 13.360) 16.641 17.710 ( 0.000 -3.316 9.647) 10.201 17.768 ( 0.000 -6.236 10.604) 12.301 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.25 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 7.761 15.100 1.944) 17.089 2.044 ( 6.032 8.276 7.355) 12.609 2.089 ( 1.464 1.846 4.771) 5.321 2.198 ( -0.684 -4.365 3.405) 5.578 2.262 ( 0.243 1.970 4.748) 5.146 2.379 ( 1.989 -6.992 1.614) 7.446 2.552 ( 2.465 2.324 -0.541) 3.431 2.589 ( -3.575 -0.867 0.264) 3.688 2.619 ( -1.068 -0.033 1.773) 2.070 2.672 ( 4.402 -3.296 5.637) 7.876 2.701 ( 1.570 -2.948 2.654) 4.266 2.718 ( -5.502 -5.645 0.389) 7.893 2.851 ( -4.773 3.574 -0.369) 5.974 2.926 ( -3.184 -3.622 1.140) 4.955 2.978 ( -4.407 -0.251 2.782) 5.218 3.085 ( -7.297 -8.741 0.821) 11.416 3.403 ( -1.521 4.875 -3.042) 5.944 3.428 ( -0.447 5.793 -5.020) 7.679 3.482 ( 0.193 3.395 -4.733) 5.828 3.551 ( 2.930 3.075 -1.091) 4.385 3.564 ( 1.529 1.876 -2.313) 3.348 3.603 ( 0.359 -5.740 -1.543) 5.955 3.679 ( 1.723 -2.102 1.113) 2.937 3.695 ( 1.309 -2.446 -2.236) 3.563 3.704 ( 3.725 1.337 -1.662) 4.293 3.803 ( 0.817 -6.633 1.370) 6.822 4.076 ( -8.903 1.909 -1.156) 9.179 4.123 ( -10.485 -3.048 1.847) 11.074 4.312 ( 0.506 19.681 4.375) 20.168 4.380 ( -1.531 21.011 4.827) 21.613 4.519 ( 5.257 -2.240 1.175) 5.834 4.684 ( 12.672 1.602 0.506) 12.783 4.730 ( 4.919 -8.758 0.150) 10.046 4.785 ( 6.686 -6.713 0.812) 9.510 5.186 ( -5.646 1.026 -4.032) 7.013 5.202 ( -2.555 -0.214 -4.666) 5.324 5.308 ( -0.531 2.395 0.774) 2.572 5.343 ( -3.766 0.234 1.058) 3.919 5.407 ( -1.201 0.715 0.099) 1.401 5.434 ( -2.295 -0.374 -0.371) 2.354 5.539 ( 2.020 3.052 1.858) 4.104 5.570 ( -0.145 3.189 3.072) 4.430 5.650 ( 1.370 -4.512 1.842) 5.062 5.668 ( 1.258 -10.121 1.506) 10.310 6.753 ( 1.738 10.697 -2.069) 11.033 6.823 ( 1.825 3.622 -1.483) 4.318 6.872 ( -1.970 8.401 1.373) 8.737 6.926 ( -1.722 1.953 0.566) 2.665 7.255 ( 0.259 2.039 -3.025) 3.657 7.268 ( 0.674 2.073 -6.693) 7.039 7.341 ( -2.185 7.885 -5.105) 9.644 7.405 ( -1.386 3.415 -5.148) 6.331 7.599 ( -1.044 4.854 4.611) 6.776 7.646 ( -3.349 4.193 -2.396) 5.877 7.759 ( 1.037 -9.067 -3.158) 9.657 7.835 ( -2.047 -10.662 -0.324) 10.862 8.107 ( 0.998 8.080 6.770) 10.588 8.232 ( 3.704 -4.061 3.315) 6.419 8.458 ( -9.111 4.454 -5.615) 11.592 8.512 ( -4.984 -0.842 -2.187) 5.507 8.893 ( 5.357 4.644 -3.210) 7.783 8.929 ( 0.465 1.144 2.044) 2.388 8.943 ( 0.157 1.163 3.115) 3.328 8.994 ( 0.818 -3.889 -4.087) 5.701 9.476 ( 15.226 10.700 7.761) 20.163 9.562 ( 9.058 0.892 3.913) 9.908 9.757 ( -0.204 21.065 2.160) 21.177 10.073 ( -6.051 -9.093 0.910) 10.960 10.173 ( 6.720 6.997 2.780) 10.091 10.364 ( 6.708 -9.724 0.115) 11.814 10.506 ( -10.638 14.192 9.425) 20.085 10.685 ( 19.952 10.680 -6.312) 23.494 10.737 ( -0.299 -7.432 1.976) 7.696 10.894 ( 8.787 -8.198 -3.836) 12.615 11.465 ( -6.038 16.580 -9.395) 19.991 11.570 ( -10.722 3.704 -14.115) 18.108 11.681 ( -0.319 24.821 5.130) 25.348 11.864 ( -4.129 9.359 1.587) 10.351 11.971 ( -4.121 2.714 2.689) 5.620 12.038 ( -2.186 -3.459 3.295) 5.254 12.185 ( 1.309 12.716 -5.104) 13.764 12.246 ( 0.071 7.409 -4.818) 8.838 12.492 ( -8.270 -0.136 5.120) 9.727 12.539 ( -7.342 -0.581 7.369) 10.419 12.606 ( 2.570 4.442 -0.148) 5.134 12.676 ( 0.671 6.216 1.164) 6.360 12.895 ( 2.501 -16.779 -2.199) 17.106 13.016 ( -0.240 -15.114 1.884) 15.233 13.112 ( 1.399 13.617 1.575) 13.779 13.283 ( -3.832 11.415 -3.605) 12.569 13.488 ( 1.437 -14.200 2.083) 14.424 13.572 ( -2.143 -14.822 -3.130) 15.300 14.643 ( 0.196 13.943 -7.739) 15.948 14.747 ( -4.601 11.308 -7.020) 14.083 14.912 ( 0.812 -8.852 -5.222) 10.310 14.964 ( 0.030 -3.042 -5.500) 6.285 15.236 ( 1.921 4.614 0.858) 5.071 15.383 ( -4.523 11.958 3.120) 13.160 15.525 ( 2.900 -19.015 4.560) 19.768 15.643 ( -0.617 -10.125 0.548) 10.159 16.458 ( 8.158 6.494 -11.328) 15.397 16.662 ( 9.128 -8.449 -14.035) 18.754 16.910 ( -4.551 3.276 -11.015) 12.361 17.072 ( -3.507 -9.235 -12.344) 15.810 17.397 ( 3.900 10.405 14.238) 18.061 17.613 ( -0.945 -3.449 13.265) 13.739 17.657 ( -2.976 -7.135 11.167) 13.582 17.740 ( -2.559 -7.833 11.186) 13.894 ======================= Grid point 67 (30/60) ======================= q-point: (-0.50 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -3.838 8.864 4.717) 10.749 2.069 ( 3.838 8.864 4.717) 10.749 2.167 ( -3.335 -1.421 2.831) 4.599 2.167 ( 3.335 -1.421 2.831) 4.599 2.355 ( -10.413 6.419 1.424) 12.315 2.355 ( 10.413 6.419 1.424) 12.315 2.486 ( -7.774 -3.935 -1.311) 8.811 2.486 ( 7.774 -3.935 -1.311) 8.811 2.689 ( -1.488 -0.160 2.911) 3.274 2.689 ( 1.488 -0.160 2.911) 3.274 2.728 ( -0.544 -2.858 1.068) 3.099 2.728 ( 0.544 -2.858 1.068) 3.099 2.843 ( -6.626 -1.604 4.941) 8.419 2.843 ( 6.626 -1.604 4.941) 8.419 2.936 ( -5.532 -8.211 2.805) 10.290 2.936 ( 5.532 -8.211 2.805) 10.290 3.400 ( -1.187 8.540 -3.507) 9.308 3.400 ( 1.187 8.540 -3.507) 9.308 3.519 ( -3.033 -2.297 -2.784) 4.714 3.519 ( 3.033 -2.297 -2.784) 4.714 3.596 ( -1.267 2.225 0.160) 2.565 3.596 ( 1.267 2.225 0.160) 2.565 3.698 ( -1.543 -6.347 0.029) 6.532 3.698 ( 1.543 -6.347 0.029) 6.532 3.867 ( -6.378 2.418 -3.100) 7.492 3.867 ( 6.378 2.418 -3.100) 7.492 3.928 ( -5.690 -3.672 -1.228) 6.883 3.928 ( 5.690 -3.672 -1.228) 6.883 4.342 ( -2.043 22.483 4.862) 23.093 4.342 ( 2.043 22.483 4.862) 23.093 4.646 ( -6.231 -6.034 1.667) 8.833 4.646 ( 6.231 -6.034 1.667) 8.833 4.963 ( -13.011 1.949 -0.713) 13.175 4.963 ( 13.011 1.949 -0.713) 13.175 5.047 ( -11.738 -5.690 -3.056) 13.398 5.047 ( 11.738 -5.690 -3.056) 13.398 5.331 ( -1.020 3.194 -0.618) 3.410 5.331 ( 1.020 3.194 -0.618) 3.410 5.389 ( -1.338 -1.764 0.681) 2.316 5.389 ( 1.338 -1.764 0.681) 2.316 5.564 ( -0.626 3.979 2.464) 4.722 5.564 ( 0.626 3.979 2.464) 4.722 5.674 ( -0.673 -7.405 1.419) 7.569 5.674 ( 0.673 -7.405 1.419) 7.569 6.800 ( -2.559 10.965 0.422) 11.268 6.800 ( 2.559 10.965 0.422) 11.268 6.888 ( -1.987 1.647 -0.233) 2.591 6.888 ( 1.987 1.647 -0.233) 2.591 7.278 ( -1.955 4.670 -2.639) 5.709 7.278 ( 1.955 4.670 -2.639) 5.709 7.336 ( -3.853 0.793 -4.117) 5.694 7.336 ( 3.853 0.793 -4.117) 5.694 7.595 ( -1.350 6.151 1.465) 6.466 7.595 ( 1.350 6.151 1.465) 6.466 7.791 ( -2.048 -10.515 -1.598) 10.831 7.791 ( 2.048 -10.515 -1.598) 10.831 8.228 ( -10.088 8.921 -2.138) 13.635 8.228 ( 10.088 8.921 -2.138) 13.635 8.360 ( -8.083 -4.267 -0.866) 9.181 8.360 ( 8.083 -4.267 -0.866) 9.181 8.959 ( -1.103 2.992 -2.513) 4.060 8.959 ( 1.103 2.992 -2.513) 4.060 8.977 ( -1.091 0.159 -1.895) 2.193 8.977 ( 1.091 0.159 -1.895) 2.193 9.705 ( -4.226 13.286 3.495) 14.373 9.705 ( 4.226 13.286 3.495) 14.373 9.844 ( -15.758 0.849 7.984) 17.685 9.844 ( 15.758 0.849 7.984) 17.685 10.302 ( -6.910 10.545 5.892) 13.916 10.302 ( 6.910 10.545 5.892) 13.916 10.588 ( -11.426 -14.620 2.948) 18.788 10.588 ( 11.426 -14.620 2.948) 18.788 11.156 ( -13.462 9.110 -11.761) 20.064 11.156 ( 13.462 9.110 -11.761) 20.064 11.246 ( -7.419 0.328 -12.028) 14.136 11.246 ( 7.419 0.328 -12.028) 14.136 11.713 ( -5.055 22.222 5.034) 23.339 11.713 ( 5.055 22.222 5.034) 23.339 11.983 ( -3.004 -0.178 4.938) 5.783 11.983 ( 3.004 -0.178 4.938) 5.783 12.250 ( -2.977 12.917 -1.997) 13.405 12.250 ( 2.977 12.917 -1.997) 13.405 12.396 ( -3.002 -2.110 5.561) 6.663 12.396 ( 3.002 -2.110 5.561) 6.663 12.663 ( -2.011 3.369 -0.703) 3.986 12.663 ( 2.011 3.369 -0.703) 3.986 12.961 ( -3.646 -18.964 0.276) 19.313 12.961 ( 3.646 -18.964 0.276) 19.313 13.194 ( -4.912 15.465 -1.996) 16.349 13.194 ( 4.912 15.465 -1.996) 16.349 13.522 ( -2.289 -16.002 -0.949) 16.193 13.522 ( 2.289 -16.002 -0.949) 16.193 14.670 ( -2.570 15.589 -6.923) 17.250 14.670 ( 2.570 15.589 -6.923) 17.250 14.941 ( -1.739 -9.301 -6.342) 11.391 14.941 ( 1.739 -9.301 -6.342) 11.391 15.297 ( -3.736 10.457 2.662) 11.419 15.297 ( 3.736 10.457 2.662) 11.419 15.594 ( -3.437 -17.248 2.911) 17.826 15.594 ( 3.437 -17.248 2.911) 17.826 16.664 ( -9.272 13.027 -13.548) 20.958 16.664 ( 9.272 13.027 -13.548) 20.958 16.948 ( -7.768 -14.267 -12.193) 20.312 16.948 ( 7.768 -14.267 -12.193) 20.312 17.506 ( -6.343 6.118 13.984) 16.529 17.506 ( 6.343 6.118 13.984) 16.529 17.680 ( -2.782 -10.431 12.213) 16.300 17.680 ( 2.782 -10.431 12.213) 16.300 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.000 0.000 23.135) 23.135 1.311 ( 0.000 0.000 28.618) 28.618 1.915 ( 0.000 0.000 11.049) 11.049 1.997 ( 0.000 0.000 -0.784) 0.784 2.015 ( 0.000 0.000 43.823) 43.823 2.141 ( 0.000 0.000 8.947) 8.947 2.328 ( 0.000 0.000 5.334) 5.334 2.407 ( 0.000 0.000 -6.078) 6.078 2.463 ( 0.000 0.000 3.398) 3.398 2.592 ( 0.000 0.000 -7.068) 7.068 2.655 ( 0.000 0.000 -3.199) 3.199 2.759 ( 0.000 0.000 -7.280) 7.280 2.895 ( 0.000 0.000 -10.180) 10.180 3.017 ( 0.000 0.000 -11.642) 11.642 3.030 ( 0.000 0.000 0.077) 0.077 3.036 ( 0.000 0.000 -8.803) 8.803 3.093 ( 0.000 0.000 2.134) 2.134 3.216 ( 0.000 0.000 0.823) 0.823 3.342 ( 0.000 0.000 -9.034) 9.034 3.359 ( 0.000 0.000 -6.467) 6.467 3.367 ( 0.000 0.000 -3.213) 3.213 3.667 ( 0.000 0.000 -1.490) 1.490 3.845 ( 0.000 0.000 7.614) 7.614 3.951 ( 0.000 0.000 5.383) 5.383 4.008 ( 0.000 0.000 6.899) 6.899 4.018 ( 0.000 0.000 4.266) 4.266 4.034 ( 0.000 0.000 1.003) 1.003 4.119 ( 0.000 0.000 -2.637) 2.637 4.270 ( 0.000 0.000 -4.259) 4.259 4.286 ( 0.000 0.000 -0.179) 0.179 4.464 ( 0.000 0.000 8.411) 8.411 4.468 ( 0.000 0.000 -3.250) 3.250 4.514 ( 0.000 0.000 0.518) 0.518 4.572 ( 0.000 0.000 -3.049) 3.049 4.738 ( 0.000 0.000 5.169) 5.169 4.741 ( 0.000 0.000 2.934) 2.934 4.850 ( 0.000 0.000 5.806) 5.806 4.943 ( 0.000 0.000 -2.824) 2.824 4.975 ( 0.000 0.000 -5.267) 5.267 5.028 ( 0.000 0.000 -3.836) 3.836 5.390 ( 0.000 0.000 3.195) 3.195 5.493 ( 0.000 0.000 1.780) 1.780 5.500 ( 0.000 0.000 -4.941) 4.941 5.678 ( 0.000 0.000 1.342) 1.342 5.722 ( 0.000 0.000 8.389) 8.389 5.739 ( 0.000 0.000 -1.016) 1.016 5.898 ( 0.000 0.000 -11.382) 11.382 6.318 ( 0.000 0.000 -7.253) 7.253 6.528 ( 0.000 0.000 15.836) 15.836 6.856 ( 0.000 0.000 3.888) 3.888 7.097 ( 0.000 0.000 -1.614) 1.614 7.149 ( 0.000 0.000 15.003) 15.003 7.183 ( 0.000 0.000 -1.024) 1.024 7.307 ( 0.000 0.000 -5.472) 5.472 7.400 ( 0.000 0.000 -7.841) 7.841 7.799 ( 0.000 0.000 -8.985) 8.985 7.881 ( 0.000 0.000 -10.058) 10.058 8.031 ( 0.000 0.000 -5.338) 5.338 8.190 ( 0.000 0.000 -2.187) 2.187 8.208 ( 0.000 0.000 7.400) 7.400 8.432 ( 0.000 0.000 3.943) 3.943 8.527 ( 0.000 0.000 5.187) 5.187 8.717 ( 0.000 0.000 -14.723) 14.723 8.730 ( 0.000 0.000 3.617) 3.617 8.811 ( 0.000 0.000 10.039) 10.039 9.058 ( 0.000 0.000 0.019) 0.019 9.117 ( 0.000 0.000 8.320) 8.320 9.200 ( 0.000 0.000 0.021) 0.021 9.262 ( 0.000 0.000 0.359) 0.359 9.434 ( 0.000 0.000 -12.710) 12.710 10.132 ( 0.000 0.000 -0.997) 0.997 10.421 ( 0.000 0.000 -3.496) 3.496 10.466 ( 0.000 0.000 -10.434) 10.434 10.666 ( 0.000 0.000 -3.102) 3.102 10.756 ( 0.000 0.000 -0.878) 0.878 10.864 ( 0.000 0.000 1.480) 1.480 11.042 ( 0.000 0.000 8.175) 8.175 11.154 ( 0.000 0.000 9.121) 9.121 11.349 ( 0.000 0.000 -16.302) 16.302 11.450 ( 0.000 0.000 -0.265) 0.265 11.481 ( 0.000 0.000 -10.955) 10.955 11.524 ( 0.000 0.000 -4.490) 4.490 11.574 ( 0.000 0.000 -1.715) 1.715 11.596 ( 0.000 0.000 -5.968) 5.968 12.938 ( 0.000 0.000 8.164) 8.164 12.946 ( 0.000 0.000 7.809) 7.809 13.122 ( 0.000 0.000 -1.310) 1.310 13.157 ( 0.000 0.000 -2.054) 2.054 13.315 ( 0.000 0.000 15.836) 15.836 13.725 ( 0.000 0.000 0.884) 0.884 13.776 ( 0.000 0.000 5.286) 5.286 14.170 ( 0.000 0.000 8.677) 8.677 14.262 ( 0.000 0.000 4.647) 4.647 14.539 ( 0.000 0.000 -3.233) 3.233 14.577 ( 0.000 0.000 -9.606) 9.606 15.008 ( 0.000 0.000 -20.884) 20.884 15.207 ( 0.000 0.000 5.765) 5.765 15.257 ( 0.000 0.000 -6.312) 6.312 15.805 ( 0.000 0.000 2.952) 2.952 16.003 ( 0.000 0.000 7.282) 7.282 16.447 ( 0.000 0.000 -8.605) 8.605 16.600 ( 0.000 0.000 -6.237) 6.237 17.437 ( 0.000 0.000 6.725) 6.725 17.563 ( 0.000 0.000 -1.071) 1.071 17.751 ( 0.000 0.000 3.889) 3.889 18.075 ( 0.000 0.000 -3.290) 3.290 18.302 ( 0.000 0.000 6.912) 6.912 18.437 ( 0.000 0.000 3.415) 3.415 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 8.069 0.000 20.784) 22.296 1.287 ( 3.368 0.000 27.452) 27.658 1.645 ( -15.094 0.000 11.874) 19.205 1.915 ( -17.570 0.000 10.513) 20.475 2.204 ( 9.307 0.000 -5.756) 10.943 2.310 ( 17.219 0.000 26.041) 31.219 2.360 ( 1.603 0.000 5.655) 5.878 2.447 ( 1.399 0.000 -6.654) 6.800 2.493 ( 5.431 0.000 6.682) 8.611 2.622 ( 0.960 0.000 -5.604) 5.685 2.628 ( 0.159 0.000 -6.334) 6.336 2.683 ( -2.113 0.000 -2.609) 3.357 2.858 ( -0.642 0.000 -5.253) 5.292 2.957 ( -6.526 0.000 2.143) 6.868 2.983 ( -3.965 0.000 -3.123) 5.047 3.097 ( 2.520 0.000 0.017) 2.520 3.143 ( 7.066 0.000 -8.952) 11.404 3.240 ( -2.576 0.000 -2.302) 3.455 3.327 ( -1.571 0.000 -8.975) 9.111 3.388 ( 5.286 0.000 -2.324) 5.774 3.428 ( 5.038 0.000 -3.532) 6.153 3.665 ( -3.633 0.000 0.579) 3.679 3.820 ( -0.744 0.000 7.722) 7.757 3.868 ( -9.110 0.000 1.159) 9.183 3.933 ( -19.495 0.000 14.118) 24.070 3.938 ( -5.252 0.000 6.944) 8.706 4.041 ( 7.073 0.000 2.364) 7.457 4.092 ( -2.343 0.000 1.282) 2.671 4.131 ( 0.951 0.000 3.045) 3.190 4.286 ( -0.437 0.000 -4.945) 4.965 4.409 ( 3.486 0.000 -8.583) 9.264 4.523 ( 0.164 0.000 1.981) 1.988 4.550 ( -0.882 0.000 1.253) 1.532 4.556 ( -1.709 0.000 -0.078) 1.711 4.775 ( 2.990 0.000 -0.240) 3.000 4.800 ( 5.242 0.000 2.529) 5.820 4.918 ( -2.485 0.000 -2.694) 3.665 4.960 ( -0.763 0.000 -4.091) 4.162 4.989 ( 5.746 0.000 0.070) 5.746 5.063 ( 2.955 0.000 -4.176) 5.116 5.413 ( 2.875 0.000 2.978) 4.139 5.488 ( -0.428 0.000 -3.797) 3.821 5.514 ( 2.526 0.000 3.142) 4.032 5.670 ( -3.390 0.000 7.005) 7.782 5.673 ( -0.412 0.000 0.209) 0.462 5.731 ( -1.195 0.000 0.689) 1.379 6.014 ( 7.982 0.000 -9.086) 12.094 6.263 ( -4.280 0.000 -5.322) 6.829 6.609 ( 6.575 0.000 8.774) 10.964 6.816 ( -2.745 0.000 4.311) 5.111 7.098 ( 0.368 0.000 -1.216) 1.271 7.161 ( -1.806 0.000 -0.760) 1.959 7.289 ( 11.573 0.000 9.907) 15.234 7.328 ( 1.679 0.000 -5.896) 6.130 7.392 ( -0.875 0.000 -7.307) 7.359 7.682 ( -4.625 0.000 -1.185) 4.774 7.825 ( -10.010 0.000 -9.201) 13.596 8.055 ( -13.104 0.000 12.629) 18.198 8.085 ( 4.836 0.000 -4.138) 6.364 8.219 ( 3.157 0.000 -3.068) 4.402 8.349 ( -7.365 0.000 2.261) 7.704 8.457 ( -4.786 0.000 4.158) 6.340 8.652 ( 4.410 0.000 -9.512) 10.484 8.865 ( 7.055 0.000 2.430) 7.462 8.950 ( 6.385 0.000 -2.906) 7.015 9.086 ( 1.373 0.000 0.516) 1.467 9.154 ( 2.209 0.000 4.452) 4.970 9.176 ( -2.035 0.000 -0.044) 2.035 9.225 ( -2.990 0.000 0.003) 2.990 9.376 ( -5.799 0.000 -1.683) 6.038 10.065 ( 0.246 0.000 0.506) 0.562 10.368 ( -0.773 0.000 2.016) 2.159 10.439 ( -7.126 0.000 -8.972) 11.458 10.722 ( -8.235 0.000 7.854) 11.380 10.779 ( 6.577 0.000 -3.682) 7.537 10.900 ( 4.409 0.000 -1.904) 4.802 10.956 ( 5.963 0.000 -3.799) 7.071 11.236 ( 0.239 0.000 3.469) 3.478 11.277 ( -5.679 0.000 -12.792) 13.996 11.409 ( -6.353 0.000 -9.762) 11.647 11.440 ( -1.529 0.000 -2.768) 3.162 11.474 ( -1.915 0.000 -3.181) 3.713 11.594 ( 1.224 0.000 -2.698) 2.963 11.616 ( 0.815 0.000 -4.169) 4.248 12.989 ( 4.240 0.000 9.512) 10.414 13.114 ( 1.195 0.000 0.352) 1.246 13.121 ( 7.069 0.000 8.691) 11.203 13.190 ( 0.799 0.000 -0.357) 0.875 13.328 ( 5.946 0.000 6.448) 8.771 13.688 ( -3.758 0.000 -0.242) 3.766 13.828 ( 4.536 0.000 6.007) 7.527 14.085 ( -6.563 0.000 8.028) 10.369 14.304 ( 3.844 0.000 2.711) 4.704 14.501 ( -3.557 0.000 -2.656) 4.439 14.669 ( 7.291 0.000 -12.192) 14.206 14.969 ( -4.172 0.000 -21.428) 21.830 15.157 ( -3.835 0.000 1.142) 4.001 15.199 ( -3.485 0.000 4.951) 6.055 15.843 ( 3.123 0.000 1.982) 3.699 15.974 ( -2.389 0.000 3.702) 4.406 16.566 ( 8.256 0.000 -8.047) 11.529 16.642 ( 3.292 0.000 -6.459) 7.249 17.409 ( -1.727 0.000 5.195) 5.474 17.498 ( -4.897 0.000 -0.885) 4.976 17.822 ( 5.158 0.000 3.508) 6.238 18.019 ( -4.284 0.000 0.686) 4.339 18.330 ( 2.105 0.000 5.905) 6.269 18.417 ( -1.683 0.000 4.430) 4.739 ======================= Grid point 92 (33/60) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -13.252 0.000 16.159) 20.898 1.348 ( 13.252 0.000 16.159) 20.898 1.524 ( -17.849 0.000 16.838) 24.538 1.524 ( 17.849 0.000 16.838) 24.538 2.367 ( -7.021 0.000 -10.874) 12.944 2.367 ( 7.021 0.000 -10.874) 12.944 2.394 ( -1.493 0.000 4.969) 5.189 2.394 ( 1.493 0.000 4.969) 5.189 2.589 ( -1.675 0.000 -9.391) 9.539 2.589 ( 1.675 0.000 -9.391) 9.539 2.786 ( -9.029 0.000 4.308) 10.004 2.786 ( 9.029 0.000 4.308) 10.004 2.845 ( -7.603 0.000 4.369) 8.769 2.845 ( 7.603 0.000 4.369) 8.769 3.017 ( -12.933 0.000 5.732) 14.146 3.017 ( 12.933 0.000 5.732) 14.146 3.267 ( -4.534 0.000 -8.953) 10.036 3.267 ( 4.534 0.000 -8.953) 10.036 3.320 ( -14.472 0.000 9.618) 17.376 3.320 ( 14.472 0.000 9.618) 17.376 3.513 ( -1.569 0.000 -3.780) 4.093 3.513 ( 1.569 0.000 -3.780) 4.093 3.742 ( -2.423 0.000 2.573) 3.534 3.742 ( 2.423 0.000 2.573) 3.534 3.844 ( -3.145 0.000 7.473) 8.108 3.844 ( 3.145 0.000 7.473) 8.108 4.116 ( -2.356 0.000 1.858) 3.001 4.116 ( 2.356 0.000 1.858) 3.001 4.200 ( -7.236 0.000 -2.660) 7.709 4.200 ( 7.236 0.000 -2.660) 7.709 4.489 ( -3.906 0.000 -2.731) 4.766 4.489 ( 3.906 0.000 -2.731) 4.766 4.536 ( -1.095 0.000 3.356) 3.530 4.536 ( 1.095 0.000 3.356) 3.530 4.849 ( -3.832 0.000 -2.198) 4.418 4.849 ( 3.832 0.000 -2.198) 4.418 4.906 ( -4.226 0.000 -1.448) 4.467 4.906 ( 4.226 0.000 -1.448) 4.467 5.067 ( -2.517 0.000 -5.890) 6.405 5.067 ( 2.517 0.000 -5.890) 6.405 5.480 ( -1.669 0.000 -0.672) 1.800 5.480 ( 1.669 0.000 -0.672) 1.800 5.591 ( -4.284 0.000 5.704) 7.133 5.591 ( 4.284 0.000 5.704) 7.133 5.686 ( -2.269 0.000 1.793) 2.892 5.686 ( 2.269 0.000 1.793) 2.892 6.160 ( -5.868 0.000 -6.692) 8.900 6.160 ( 5.868 0.000 -6.692) 8.900 6.742 ( -5.114 0.000 3.004) 5.931 6.742 ( 5.114 0.000 3.004) 5.931 7.121 ( -1.787 0.000 -0.573) 1.877 7.121 ( 1.787 0.000 -0.573) 1.877 7.364 ( -1.660 0.000 -6.597) 6.803 7.364 ( 1.660 0.000 -6.597) 6.803 7.551 ( -12.654 0.000 -2.400) 12.880 7.551 ( 12.654 0.000 -2.400) 12.880 7.762 ( -11.440 0.000 12.450) 16.908 7.762 ( 11.440 0.000 12.450) 16.908 8.202 ( -6.291 0.000 -0.205) 6.294 8.202 ( 6.291 0.000 -0.205) 6.294 8.330 ( -6.982 0.000 -2.634) 7.462 8.330 ( 6.982 0.000 -2.634) 7.462 8.836 ( -9.438 0.000 -8.964) 13.016 8.836 ( 9.438 0.000 -8.964) 13.016 9.070 ( -5.600 0.000 2.320) 6.062 9.070 ( 5.600 0.000 2.320) 6.062 9.165 ( -2.847 0.000 -1.184) 3.084 9.165 ( 2.847 0.000 -1.184) 3.084 9.233 ( -6.236 0.000 5.505) 8.318 9.233 ( 6.236 0.000 5.505) 8.318 10.215 ( -11.786 0.000 -3.271) 12.232 10.215 ( 11.786 0.000 -3.271) 12.232 10.468 ( -10.373 0.000 9.291) 13.926 10.468 ( 10.373 0.000 9.291) 13.926 10.962 ( -7.618 0.000 -10.712) 13.145 10.962 ( 7.618 0.000 -10.712) 13.145 11.111 ( -10.580 0.000 -4.078) 11.339 11.111 ( 10.580 0.000 -4.078) 11.339 11.259 ( -6.172 0.000 -6.678) 9.093 11.259 ( 6.172 0.000 -6.678) 9.093 11.442 ( -1.517 0.000 -2.247) 2.711 11.442 ( 1.517 0.000 -2.247) 2.711 11.616 ( -0.711 0.000 -3.246) 3.323 11.616 ( 0.711 0.000 -3.246) 3.323 13.091 ( -5.018 0.000 12.704) 13.659 13.091 ( 5.018 0.000 12.704) 13.659 13.165 ( -2.766 0.000 1.592) 3.191 13.165 ( 2.766 0.000 1.592) 3.191 13.551 ( -9.960 0.000 -2.424) 10.251 13.551 ( 9.960 0.000 -2.424) 10.251 13.945 ( -6.543 0.000 7.094) 9.650 13.945 ( 6.543 0.000 7.094) 9.650 14.405 ( -5.361 0.000 -0.642) 5.399 14.405 ( 5.361 0.000 -0.642) 5.399 14.833 ( -8.098 0.000 -18.544) 20.235 14.833 ( 8.098 0.000 -18.544) 20.235 15.137 ( -1.868 0.000 5.624) 5.926 15.137 ( 1.868 0.000 5.624) 5.926 15.913 ( -3.385 0.000 1.565) 3.729 15.913 ( 3.385 0.000 1.565) 3.729 16.677 ( -1.432 0.000 -7.035) 7.179 16.677 ( 1.432 0.000 -7.035) 7.179 17.411 ( -2.519 0.000 1.548) 2.956 17.411 ( 2.519 0.000 1.548) 2.956 17.926 ( -4.740 0.000 3.162) 5.698 17.926 ( 4.740 0.000 3.162) 5.698 18.376 ( -2.209 0.000 5.503) 5.930 18.376 ( 2.209 0.000 5.503) 5.930 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.000 5.525 26.648) 27.215 1.373 ( 0.000 23.959 17.878) 29.894 2.079 ( 0.000 12.492 13.804) 18.618 2.149 ( 0.000 10.004 21.829) 24.012 2.159 ( 0.000 11.772 -0.703) 11.793 2.176 ( 0.000 9.806 18.442) 20.887 2.328 ( 0.000 0.321 5.264) 5.274 2.442 ( 0.000 3.113 -0.701) 3.191 2.500 ( 0.000 5.288 -0.762) 5.343 2.605 ( 0.000 2.233 -5.879) 6.289 2.615 ( 0.000 -1.085 -3.324) 3.497 2.854 ( 0.000 -4.395 -9.211) 10.206 2.866 ( 0.000 4.913 -6.766) 8.361 2.923 ( 0.000 -5.499 -11.349) 12.611 3.044 ( 0.000 3.698 1.662) 4.054 3.047 ( 0.000 -0.704 -2.469) 2.567 3.107 ( 0.000 0.144 -1.735) 1.741 3.197 ( 0.000 -1.469 1.598) 2.171 3.342 ( 0.000 -1.533 -6.066) 6.257 3.342 ( 0.000 1.561 -4.242) 4.520 3.419 ( 0.000 3.979 -6.175) 7.346 3.651 ( 0.000 -1.784 -1.889) 2.598 3.862 ( 0.000 -7.837 6.110) 9.937 3.927 ( 0.000 -3.344 3.777) 5.045 3.961 ( 0.000 3.144 3.177) 4.469 4.009 ( 0.000 -2.056 0.326) 2.082 4.069 ( 0.000 -4.320 -2.605) 5.045 4.128 ( 0.000 9.739 4.959) 10.929 4.243 ( 0.000 -2.300 -1.750) 2.890 4.349 ( 0.000 0.521 4.961) 4.988 4.467 ( 0.000 1.082 0.407) 1.156 4.496 ( 0.000 4.959 -1.645) 5.225 4.601 ( 0.000 -5.971 4.883) 7.714 4.777 ( 0.000 17.603 3.041) 17.864 4.790 ( 0.000 1.478 2.078) 2.550 4.827 ( 0.000 14.143 0.843) 14.169 4.936 ( 0.000 14.378 0.730) 14.397 4.990 ( 0.000 1.699 -5.651) 5.900 5.060 ( 0.000 6.720 -2.811) 7.284 5.107 ( 0.000 13.975 -1.889) 14.102 5.440 ( 0.000 5.378 1.969) 5.728 5.485 ( 0.000 -0.613 -3.609) 3.661 5.548 ( 0.000 6.624 4.379) 7.941 5.746 ( 0.000 3.056 6.757) 7.416 5.775 ( 0.000 10.706 0.811) 10.736 5.820 ( 0.000 6.568 1.263) 6.689 6.000 ( 0.000 9.913 -10.971) 14.786 6.321 ( 0.000 -0.249 -7.286) 7.291 6.790 ( 0.000 25.824 10.651) 27.934 6.819 ( 0.000 -2.903 3.243) 4.352 7.126 ( 0.000 0.142 -1.980) 1.985 7.196 ( 0.000 3.704 -0.663) 3.763 7.200 ( 0.000 1.133 -0.843) 1.412 7.354 ( 0.000 -1.383 -5.052) 5.238 7.468 ( 0.000 15.208 1.912) 15.328 7.856 ( 0.000 -1.710 -5.779) 6.027 7.880 ( 0.000 7.684 -9.619) 12.311 8.026 ( 0.000 -0.121 -4.313) 4.315 8.226 ( 0.000 2.953 5.843) 6.547 8.346 ( 0.000 9.545 -3.397) 10.131 8.411 ( 0.000 -1.698 3.749) 4.116 8.554 ( 0.000 6.952 4.621) 8.348 8.767 ( 0.000 0.104 8.723) 8.723 8.800 ( 0.000 7.341 -12.668) 14.641 8.870 ( 0.000 7.652 5.682) 9.531 9.137 ( 0.000 0.514 -6.747) 6.767 9.148 ( 0.000 3.396 7.967) 8.660 9.316 ( 0.000 17.538 -0.748) 17.554 9.431 ( 0.000 15.605 0.092) 15.605 9.630 ( 0.000 18.902 -6.152) 19.878 10.065 ( 0.000 -5.468 -1.004) 5.560 10.411 ( 0.000 2.078 -5.026) 5.438 10.538 ( 0.000 4.603 0.514) 4.631 10.737 ( 0.000 -0.566 -1.094) 1.232 10.749 ( 0.000 6.495 -1.021) 6.574 10.901 ( 0.000 1.934 2.138) 2.883 11.084 ( 0.000 5.531 1.877) 5.840 11.235 ( 0.000 -3.583 -6.318) 7.263 11.243 ( 0.000 8.635 9.468) 12.815 11.493 ( 0.000 1.698 -9.881) 10.026 11.594 ( 0.000 6.597 -5.796) 8.782 11.604 ( 0.000 1.085 -5.747) 5.848 11.638 ( 0.000 12.716 -5.539) 13.870 11.686 ( 0.000 10.783 -3.864) 11.455 12.879 ( 0.000 -1.738 5.355) 5.630 12.914 ( 0.000 -3.095 7.412) 8.032 13.153 ( 0.000 2.791 -0.003) 2.791 13.175 ( 0.000 -0.986 11.403) 11.446 13.429 ( 0.000 7.525 -1.270) 7.631 13.653 ( 0.000 -6.752 -0.153) 6.754 13.756 ( 0.000 -1.936 5.349) 5.688 14.127 ( 0.000 -3.006 4.231) 5.190 14.214 ( 0.000 -4.939 2.163) 5.392 14.588 ( 0.000 0.488 -10.161) 10.173 14.599 ( 0.000 5.455 1.031) 5.552 15.046 ( 0.000 4.000 -17.263) 17.720 15.196 ( 0.000 -1.032 4.845) 4.954 15.229 ( 0.000 -2.830 -6.809) 7.374 15.756 ( 0.000 -5.039 2.990) 5.859 16.037 ( 0.000 3.772 2.418) 4.481 16.381 ( 0.000 -6.643 -7.983) 10.386 16.566 ( 0.000 -3.286 -6.766) 7.522 17.414 ( 0.000 -2.357 5.597) 6.073 17.495 ( 0.000 -7.128 -1.144) 7.219 17.681 ( 0.000 -6.634 5.128) 8.385 18.019 ( 0.000 -4.915 -1.250) 5.071 18.276 ( 0.000 -2.689 6.955) 7.456 18.390 ( 0.000 -4.444 4.401) 6.254 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.25 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 4.311 7.466 23.846) 25.356 1.478 ( 6.555 24.968 16.005) 30.373 1.881 ( -12.064 18.783 9.196) 24.144 1.957 ( -16.479 4.674 10.222) 19.948 2.252 ( 5.795 3.193 3.661) 7.562 2.336 ( 0.291 -1.120 4.237) 4.392 2.434 ( 13.101 10.897 10.206) 19.863 2.494 ( 4.332 3.916 0.014) 5.840 2.515 ( 2.290 3.150 2.276) 4.510 2.591 ( -0.865 -0.742 -4.105) 4.260 2.654 ( 4.066 3.998 -3.703) 6.799 2.772 ( -2.348 4.494 -3.134) 5.961 2.823 ( 0.241 -3.290 -4.345) 5.455 2.949 ( -1.509 -0.698 -4.439) 4.740 2.992 ( -5.022 4.018 2.682) 6.968 3.086 ( 3.080 -1.090 1.076) 3.440 3.150 ( 3.644 -1.161 -5.203) 6.457 3.224 ( -0.587 -1.074 -1.580) 1.998 3.344 ( -1.173 1.981 -7.313) 7.666 3.386 ( 6.553 -0.652 -2.118) 6.917 3.456 ( 3.758 2.857 -3.740) 6.023 3.651 ( -4.004 -2.002 0.493) 4.504 3.770 ( -5.692 -5.019 4.467) 8.806 3.903 ( -7.117 1.553 5.543) 9.153 3.907 ( -8.290 0.229 5.942) 10.202 3.999 ( -6.168 0.710 2.218) 6.593 4.011 ( -0.603 -3.545 4.452) 5.723 4.082 ( 1.135 -3.059 3.924) 5.103 4.157 ( 1.599 5.696 3.388) 6.817 4.326 ( 0.891 1.133 -7.188) 7.331 4.416 ( -3.758 0.111 -4.763) 6.068 4.486 ( -3.015 -3.447 1.745) 4.901 4.687 ( 5.838 2.646 3.683) 7.393 4.773 ( 0.804 18.648 2.740) 18.865 4.837 ( 2.936 14.163 -0.859) 14.490 4.929 ( 2.356 10.798 0.466) 11.062 4.949 ( 2.376 4.029 -1.725) 4.985 4.980 ( -0.861 2.674 -4.451) 5.263 5.078 ( 2.225 3.883 -3.510) 5.688 5.127 ( 1.059 12.488 -1.953) 12.685 5.442 ( 0.573 2.243 0.436) 2.356 5.465 ( 0.052 1.988 1.092) 2.269 5.610 ( 4.133 8.504 2.955) 9.906 5.719 ( -1.533 5.497 5.699) 8.065 5.770 ( -0.830 9.539 1.437) 9.683 5.806 ( -1.510 6.620 1.736) 7.009 6.071 ( 5.484 6.085 -9.101) 12.245 6.278 ( -3.766 0.847 -6.346) 7.428 6.786 ( 2.864 8.550 -0.509) 9.031 6.906 ( 3.106 14.766 5.189) 15.956 7.105 ( 0.238 1.670 -1.243) 2.096 7.172 ( -1.228 2.009 -1.625) 2.861 7.292 ( 4.944 0.068 -2.866) 5.715 7.362 ( 0.569 -1.691 -5.707) 5.980 7.490 ( 3.333 15.072 4.111) 15.974 7.735 ( -4.107 4.854 -0.250) 6.363 7.851 ( -8.300 2.285 -6.889) 11.025 8.062 ( -9.519 0.533 8.936) 13.067 8.091 ( 5.079 0.778 -3.142) 6.023 8.316 ( -2.465 4.646 -0.597) 5.293 8.385 ( -7.789 8.143 4.066) 11.980 8.463 ( -5.662 1.596 3.373) 6.781 8.732 ( 5.309 7.421 -11.342) 14.557 8.922 ( 7.867 4.080 1.877) 9.058 9.033 ( 4.285 -0.757 2.105) 4.834 9.077 ( 3.429 6.211 -1.946) 7.357 9.231 ( 1.435 5.463 4.597) 7.283 9.309 ( -0.084 15.966 -0.528) 15.975 9.422 ( -1.153 16.369 0.996) 16.439 9.548 ( -7.252 19.335 -1.597) 20.712 10.074 ( 4.540 1.163 -0.250) 4.694 10.388 ( -2.456 2.529 -6.624) 7.503 10.492 ( -5.270 5.114 2.530) 7.767 10.766 ( -1.861 2.164 4.319) 5.177 10.787 ( 4.666 3.773 -2.642) 6.556 10.948 ( 2.140 0.529 -2.243) 3.145 11.008 ( -0.868 8.056 -1.340) 8.213 11.165 ( -0.955 -4.135 -7.806) 8.885 11.314 ( -0.465 5.674 1.782) 5.965 11.455 ( -3.206 5.724 -7.591) 10.033 11.533 ( -2.863 4.976 -5.052) 7.647 11.605 ( -0.227 3.788 -2.632) 4.618 11.641 ( -0.048 12.051 -6.942) 13.908 11.690 ( -0.074 8.762 -3.384) 9.393 12.926 ( 3.667 -5.276 7.718) 10.043 13.037 ( 8.752 -3.491 5.095) 10.712 13.095 ( -2.681 -2.601 7.461) 8.344 13.214 ( 0.194 1.293 7.730) 7.840 13.453 ( 3.421 7.005 -4.221) 8.865 13.653 ( -1.529 -3.430 -2.074) 4.290 13.777 ( 3.011 -4.441 6.138) 8.153 14.035 ( -7.115 -4.109 4.900) 9.566 14.254 ( 3.508 -4.541 0.729) 5.784 14.482 ( -5.930 -1.502 -4.833) 7.796 14.731 ( 7.760 4.971 -6.026) 11.011 15.017 ( -3.261 4.456 -16.366) 17.272 15.159 ( -3.644 -0.130 -3.026) 4.738 15.178 ( -2.439 -1.630 4.650) 5.498 15.804 ( 4.014 -3.876 1.964) 5.915 15.984 ( -3.893 1.203 0.944) 4.182 16.497 ( 7.942 -6.666 -7.592) 12.851 16.597 ( 2.249 -4.463 -6.896) 8.516 17.377 ( -2.221 -3.434 4.482) 6.067 17.445 ( -3.953 -5.350 -1.254) 6.769 17.759 ( 5.770 -6.008 4.765) 9.596 17.971 ( -3.938 -4.353 1.678) 6.105 18.298 ( 1.801 -3.161 6.240) 7.223 18.374 ( -1.380 -4.155 5.008) 6.652 ======================= Grid point 97 (36/60) ======================= q-point: (-0.50 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -17.034 6.416 14.646) 23.363 1.577 ( 17.034 6.416 14.646) 23.363 1.653 ( -10.357 23.573 12.791) 28.750 1.653 ( 10.357 23.573 12.791) 28.750 2.329 ( -1.649 -1.199 0.741) 2.169 2.329 ( 1.649 -1.199 0.741) 2.169 2.486 ( -0.978 2.124 -6.723) 7.118 2.486 ( 0.978 2.124 -6.723) 7.118 2.589 ( -0.699 3.328 -6.876) 7.671 2.589 ( 0.699 3.328 -6.876) 7.671 2.826 ( -3.762 0.990 2.664) 4.715 2.826 ( 3.762 0.990 2.664) 4.715 2.860 ( -5.167 5.079 2.226) 7.580 2.860 ( 5.167 5.079 2.226) 7.580 3.013 ( -11.322 0.614 6.237) 12.941 3.013 ( 11.322 0.614 6.237) 12.941 3.265 ( -2.925 -0.711 -2.996) 4.247 3.265 ( 2.925 -0.711 -2.996) 4.247 3.335 ( -10.879 0.438 5.913) 12.390 3.335 ( 10.879 0.438 5.913) 12.390 3.529 ( -1.667 2.100 -2.675) 3.788 3.529 ( 1.667 2.100 -2.675) 3.788 3.706 ( -2.516 -2.492 2.615) 4.402 3.706 ( 2.516 -2.492 2.615) 4.402 3.907 ( -2.554 2.394 4.244) 5.502 3.907 ( 2.554 2.394 4.244) 5.502 4.066 ( -3.715 -3.313 1.861) 5.314 4.066 ( 3.715 -3.313 1.861) 5.314 4.254 ( -6.516 1.854 -1.337) 6.906 4.254 ( 6.516 1.854 -1.337) 6.906 4.420 ( -2.895 -2.924 -1.759) 4.475 4.420 ( 2.895 -2.924 -1.759) 4.475 4.768 ( -1.927 14.241 2.043) 14.516 4.768 ( 1.927 14.241 2.043) 14.516 4.911 ( -3.213 8.858 -1.319) 9.514 4.911 ( 3.213 8.858 -1.319) 9.514 4.967 ( -0.170 5.496 -2.892) 6.213 4.967 ( 0.170 5.496 -2.892) 6.213 5.125 ( -1.375 6.871 -4.050) 8.093 5.125 ( 1.375 6.871 -4.050) 8.093 5.466 ( -0.815 0.648 1.056) 1.483 5.466 ( 0.815 0.648 1.056) 1.483 5.688 ( -2.523 9.194 4.702) 10.630 5.688 ( 2.523 9.194 4.702) 10.630 5.765 ( -1.443 7.489 2.126) 7.917 5.765 ( 1.443 7.489 2.126) 7.917 6.184 ( -5.143 2.340 -6.768) 8.817 6.184 ( 5.143 2.340 -6.768) 8.817 6.882 ( -4.584 9.924 -3.436) 11.459 6.882 ( 4.584 9.924 -3.436) 11.459 7.140 ( -1.915 4.116 -0.924) 4.633 7.140 ( 1.915 4.116 -0.924) 4.633 7.355 ( -1.505 -0.224 -5.459) 5.668 7.355 ( 1.505 -0.224 -5.459) 5.668 7.629 ( -9.558 7.251 -1.482) 12.089 7.629 ( 9.558 7.251 -1.482) 12.089 7.821 ( -11.585 5.665 13.022) 18.327 7.821 ( 11.585 5.665 13.022) 18.327 8.240 ( -6.935 3.744 -0.440) 7.893 8.240 ( 6.935 3.744 -0.440) 7.893 8.320 ( -4.525 0.062 -0.984) 4.631 8.320 ( 4.525 0.062 -0.984) 4.631 8.909 ( -7.353 6.760 -9.751) 13.959 8.909 ( 7.353 6.760 -9.751) 13.959 9.109 ( -3.335 -0.433 5.327) 6.300 9.109 ( 3.335 -0.433 5.327) 6.300 9.295 ( -3.245 13.746 0.572) 14.135 9.295 ( 3.245 13.746 0.572) 14.135 9.413 ( -3.038 19.590 2.356) 19.964 9.413 ( 3.038 19.590 2.356) 19.964 10.237 ( -9.717 2.878 -4.269) 10.996 10.237 ( 9.717 2.878 -4.269) 10.996 10.560 ( -11.165 8.237 8.283) 16.159 10.560 ( 11.165 8.237 8.283) 16.159 10.911 ( -5.577 -2.008 -7.928) 9.899 10.911 ( 5.577 -2.008 -7.928) 9.899 11.131 ( -6.497 -0.012 -6.191) 8.974 11.131 ( 6.497 -0.012 -6.191) 8.974 11.324 ( -6.193 7.344 -4.198) 10.484 11.324 ( 6.193 7.344 -4.198) 10.484 11.561 ( -3.084 8.132 -2.772) 9.128 11.561 ( 3.084 8.132 -2.772) 9.128 11.669 ( -1.836 7.743 -4.573) 9.178 11.669 ( 1.836 7.743 -4.573) 9.178 13.017 ( -4.577 -5.827 9.980) 12.430 13.017 ( 4.577 -5.827 9.980) 12.430 13.175 ( -4.006 -0.776 5.836) 7.121 13.175 ( 4.006 -0.776 5.836) 7.121 13.567 ( -6.144 1.504 -4.327) 7.664 13.567 ( 6.144 1.504 -4.327) 7.664 13.885 ( -6.837 -5.426 5.622) 10.382 13.885 ( 6.837 -5.426 5.622) 10.382 14.354 ( -5.999 -4.175 -2.510) 7.728 14.354 ( 5.999 -4.175 -2.510) 7.728 14.895 ( -7.724 4.861 -11.668) 14.813 14.895 ( 7.724 4.861 -11.668) 14.813 15.135 ( -1.235 0.033 2.089) 2.427 15.135 ( 1.235 0.033 2.089) 2.427 15.896 ( -4.550 -1.517 0.685) 4.845 15.896 ( 4.550 -1.517 0.685) 4.845 16.610 ( -2.159 -6.501 -7.061) 9.838 16.610 ( 2.159 -6.501 -7.061) 9.838 17.372 ( -2.122 -3.924 1.078) 4.589 17.372 ( 2.122 -3.924 1.078) 4.589 17.876 ( -5.236 -4.728 3.987) 8.104 17.876 ( 5.236 -4.728 3.987) 8.104 18.338 ( -1.962 -3.684 5.814) 7.157 18.338 ( 1.962 -3.684 5.814) 7.157 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 0.000 10.059 21.698) 23.917 1.738 ( 0.000 13.724 19.245) 23.637 2.184 ( 0.000 1.903 10.583) 10.752 2.276 ( 0.000 1.575 0.319) 1.607 2.326 ( 0.000 7.093 2.065) 7.387 2.336 ( 0.000 0.116 3.689) 3.691 2.540 ( 0.000 4.771 0.495) 4.797 2.599 ( 0.000 1.442 -0.821) 1.659 2.600 ( 0.000 14.397 4.786) 15.172 2.731 ( 0.000 12.658 -0.748) 12.680 2.735 ( 0.000 2.127 -4.378) 4.868 2.770 ( 0.000 10.532 5.168) 11.732 2.866 ( 0.000 0.033 -8.633) 8.634 2.899 ( 0.000 1.719 -2.404) 2.956 3.043 ( 0.000 2.136 -2.310) 3.147 3.074 ( 0.000 0.034 2.242) 2.243 3.137 ( 0.000 1.309 2.320) 2.664 3.211 ( 0.000 3.369 -1.668) 3.760 3.327 ( 0.000 1.990 -2.882) 3.502 3.410 ( 0.000 2.847 -2.505) 3.792 3.474 ( 0.000 1.804 -3.881) 4.280 3.510 ( 0.000 -11.282 1.572) 11.391 3.735 ( 0.000 -5.932 1.565) 6.135 3.808 ( 0.000 -8.332 1.815) 8.527 3.938 ( 0.000 -5.308 -2.446) 5.844 3.975 ( 0.000 -1.265 0.942) 1.577 4.008 ( 0.000 -1.033 0.434) 1.120 4.184 ( 0.000 0.027 -1.891) 1.892 4.345 ( 0.000 6.702 2.979) 7.334 4.355 ( 0.000 -3.313 0.647) 3.376 4.393 ( 0.000 -2.332 8.198) 8.524 4.549 ( 0.000 7.465 -4.320) 8.625 4.584 ( 0.000 -0.713 0.171) 0.734 4.715 ( 0.000 -4.369 5.370) 6.923 5.024 ( 0.000 2.102 -3.906) 4.435 5.031 ( 0.000 2.556 -6.410) 6.901 5.150 ( 0.000 11.753 -0.354) 11.758 5.186 ( 0.000 15.236 2.406) 15.425 5.294 ( 0.000 9.883 1.190) 9.954 5.356 ( 0.000 6.504 1.085) 6.594 5.534 ( 0.000 3.710 2.847) 4.676 5.550 ( 0.000 8.326 0.565) 8.345 5.703 ( 0.000 -0.170 6.517) 6.519 6.000 ( 0.000 26.986 5.544) 27.550 6.044 ( 0.000 18.881 1.198) 18.919 6.052 ( 0.000 7.811 -1.317) 7.921 6.268 ( 0.000 16.991 -2.264) 17.141 6.375 ( 0.000 14.184 -12.906) 19.177 6.770 ( 0.000 -1.690 2.263) 2.824 7.098 ( 0.000 -1.802 -2.827) 3.352 7.190 ( 0.000 -1.342 -5.552) 5.712 7.293 ( 0.000 -3.479 -6.614) 7.473 7.318 ( 0.000 7.142 -0.434) 7.155 7.402 ( 0.000 27.350 -3.689) 27.597 7.828 ( 0.000 -1.233 -0.876) 1.513 7.847 ( 0.000 17.393 0.644) 17.405 8.059 ( 0.000 4.906 -2.808) 5.653 8.103 ( 0.000 16.721 -5.415) 17.576 8.247 ( 0.000 -0.593 1.895) 1.985 8.387 ( 0.000 0.086 3.578) 3.579 8.483 ( 0.000 5.587 0.777) 5.641 8.772 ( 0.000 2.240 10.361) 10.601 8.866 ( 0.000 18.290 6.989) 19.580 8.974 ( 0.000 9.310 -11.225) 14.583 8.997 ( 0.000 4.055 4.305) 5.914 9.100 ( 0.000 -0.848 -11.341) 11.373 9.270 ( 0.000 8.629 8.922) 12.412 9.781 ( 0.000 20.376 -0.929) 20.397 9.806 ( 0.000 20.570 0.890) 20.590 9.955 ( 0.000 6.331 -8.958) 10.970 10.111 ( 0.000 20.357 3.234) 20.612 10.516 ( 0.000 6.624 -1.339) 6.758 10.633 ( 0.000 5.142 14.526) 15.409 10.705 ( 0.000 -1.454 1.206) 1.889 10.937 ( 0.000 5.187 -1.230) 5.331 10.955 ( 0.000 13.914 0.069) 13.914 11.173 ( 0.000 3.173 -8.601) 9.168 11.378 ( 0.000 16.639 -1.928) 16.750 11.465 ( 0.000 12.274 9.638) 15.606 11.550 ( 0.000 4.183 -11.030) 11.796 11.645 ( 0.000 4.834 -2.961) 5.669 11.807 ( 0.000 15.148 -5.874) 16.247 11.920 ( 0.000 13.559 -5.372) 14.585 11.966 ( 0.000 18.787 -4.530) 19.326 12.836 ( 0.000 -4.488 5.532) 7.123 12.901 ( 0.000 3.209 -0.080) 3.210 13.123 ( 0.000 -4.041 9.911) 10.704 13.185 ( 0.000 -2.502 5.983) 6.485 13.460 ( 0.000 -4.946 -0.633) 4.986 13.511 ( 0.000 -4.685 -4.302) 6.361 13.687 ( 0.000 -5.932 7.025) 9.194 14.068 ( 0.000 -9.718 -1.083) 9.778 14.120 ( 0.000 3.510 -4.911) 6.036 14.575 ( 0.000 -1.906 -13.404) 13.539 14.734 ( 0.000 7.807 7.016) 10.496 15.123 ( 0.000 -3.664 -5.248) 6.400 15.173 ( 0.000 -1.202 1.596) 1.998 15.193 ( 0.000 6.502 -11.970) 13.622 15.618 ( 0.000 -8.106 4.566) 9.303 16.149 ( 0.000 7.188 -6.961) 10.006 16.191 ( 0.000 -12.370 -5.932) 13.719 16.474 ( 0.000 -6.027 -7.798) 9.856 17.278 ( 0.000 -14.528 -1.275) 14.584 17.322 ( 0.000 -8.168 -1.238) 8.261 17.542 ( 0.000 -5.087 11.590) 12.657 17.921 ( 0.000 -4.318 1.929) 4.729 18.198 ( 0.000 -5.091 7.089) 8.727 18.270 ( 0.000 -7.635 5.743) 9.554 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.25 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 4.300 11.383 18.932) 22.505 1.886 ( 9.968 14.288 13.858) 22.261 2.053 ( -12.785 6.431 8.743) 16.770 2.230 ( -5.291 8.921 4.903) 11.473 2.287 ( 0.753 2.963 2.726) 4.097 2.346 ( -1.082 2.528 2.768) 3.901 2.491 ( -3.385 -0.594 -3.080) 4.615 2.555 ( -5.775 0.302 -4.551) 7.359 2.599 ( 0.617 1.184 -4.096) 4.308 2.729 ( -2.335 1.271 -5.833) 6.410 2.765 ( 7.283 6.830 1.911) 10.166 2.861 ( 5.762 12.810 7.706) 16.021 2.883 ( 5.814 10.246 2.097) 11.966 2.963 ( 1.491 1.014 -5.128) 5.436 3.047 ( 1.679 -0.940 1.066) 2.200 3.112 ( 3.714 3.697 1.270) 5.392 3.130 ( -1.159 3.438 2.058) 4.171 3.226 ( -1.935 3.462 2.455) 4.665 3.335 ( -0.363 -2.001 -2.659) 3.348 3.413 ( 4.539 0.499 -2.410) 5.163 3.470 ( -0.816 -2.900 -1.381) 3.313 3.567 ( 3.516 -2.391 0.902) 4.346 3.703 ( -1.754 -3.220 -0.356) 3.684 3.863 ( -3.128 -5.739 -2.715) 7.077 3.888 ( 2.335 -4.480 4.833) 6.991 3.968 ( -1.672 -0.525 0.813) 1.932 3.995 ( -3.158 -1.184 -0.817) 3.470 4.006 ( -13.574 1.679 11.733) 18.020 4.162 ( -3.117 -4.053 -0.765) 5.170 4.331 ( -6.402 -6.003 -1.661) 8.932 4.437 ( 0.292 1.324 1.787) 2.243 4.490 ( 0.066 9.925 -4.488) 10.893 4.705 ( 8.999 0.579 2.332) 9.314 4.900 ( 9.415 -1.483 -1.410) 9.634 5.006 ( -3.307 3.330 -4.994) 6.853 5.033 ( 0.294 2.084 -5.079) 5.498 5.148 ( 1.375 9.426 0.803) 9.559 5.199 ( 1.157 14.267 2.037) 14.458 5.288 ( -0.541 9.410 1.241) 9.507 5.345 ( -1.438 6.144 0.600) 6.338 5.504 ( 0.100 5.225 3.493) 6.286 5.575 ( -0.579 5.908 3.186) 6.737 5.770 ( 5.953 1.167 3.868) 7.195 5.980 ( -2.127 13.535 1.553) 13.789 6.022 ( -1.016 23.240 3.436) 23.514 6.051 ( -0.819 16.421 1.522) 16.512 6.279 ( 1.096 15.795 -2.876) 16.092 6.364 ( -1.608 14.624 -9.276) 17.392 6.818 ( 5.447 -0.204 -2.934) 6.190 7.062 ( -3.061 -0.562 -3.348) 4.571 7.196 ( 0.887 -0.620 -6.348) 6.439 7.288 ( -1.105 -1.652 -7.775) 8.025 7.351 ( 2.841 6.534 -1.973) 7.393 7.476 ( 4.231 20.538 -2.862) 21.164 7.801 ( -1.451 8.516 -1.814) 8.827 7.872 ( 0.473 11.059 2.369) 11.320 7.917 ( -8.271 5.269 -4.919) 10.972 8.094 ( -8.178 5.235 8.725) 13.055 8.140 ( 3.806 4.358 -0.341) 5.796 8.351 ( 0.122 3.504 4.263) 5.519 8.548 ( -3.260 6.539 -0.272) 7.312 8.652 ( -13.647 13.284 4.786) 19.637 8.888 ( 4.060 3.485 -4.205) 6.806 9.003 ( 6.674 9.034 -2.393) 11.484 9.065 ( 5.295 5.097 0.721) 7.385 9.126 ( 2.171 1.147 0.656) 2.542 9.401 ( 8.223 10.641 8.003) 15.650 9.747 ( -3.340 22.911 1.213) 23.185 9.826 ( 2.362 22.819 -0.033) 22.941 10.014 ( -0.791 21.019 -5.868) 21.837 10.148 ( 8.931 10.380 -0.417) 13.700 10.458 ( -5.250 3.818 -3.475) 7.363 10.630 ( -3.671 7.120 3.298) 8.662 10.801 ( 9.989 4.692 6.762) 12.943 10.906 ( -0.698 0.120 -6.021) 6.062 10.983 ( 0.987 10.735 0.469) 10.791 11.140 ( -5.533 4.872 -0.936) 7.431 11.254 ( -3.784 12.715 -7.448) 15.214 11.465 ( -3.494 9.490 -1.317) 10.198 11.611 ( 5.402 8.006 -2.392) 9.950 11.657 ( -1.919 7.438 -0.342) 7.689 11.699 ( -4.583 10.860 -5.263) 12.909 11.955 ( 1.192 17.249 -6.201) 18.369 11.969 ( 0.259 19.206 -4.180) 19.657 12.832 ( 1.034 -4.322 5.736) 7.256 12.987 ( 3.314 -1.987 5.301) 6.559 13.021 ( -3.683 -4.535 5.427) 7.974 13.192 ( -1.904 -5.312 7.667) 9.520 13.490 ( 2.705 -4.636 -0.738) 5.418 13.577 ( 4.061 -2.187 -4.838) 6.684 13.674 ( 0.266 -6.404 6.659) 9.242 13.969 ( -7.798 -3.261 -1.821) 8.647 14.162 ( 3.377 -2.510 -4.297) 6.014 14.444 ( -9.045 -2.376 -8.825) 12.859 14.837 ( 6.864 5.683 3.060) 9.422 15.101 ( -4.516 -2.396 -0.763) 5.169 15.129 ( -0.429 2.671 -3.307) 4.272 15.180 ( -1.541 1.763 -8.622) 8.935 15.708 ( 7.286 -4.779 1.732) 8.883 16.014 ( -6.984 0.531 -4.741) 8.458 16.333 ( 6.956 -8.138 -6.807) 12.687 16.473 ( -0.358 -7.772 -7.409) 10.743 17.248 ( -1.296 -10.431 0.298) 10.516 17.302 ( -2.106 -8.788 -2.822) 9.467 17.625 ( 6.628 -5.834 9.548) 13.006 17.878 ( -3.951 -4.373 3.697) 6.957 18.209 ( 1.002 -5.738 6.859) 8.999 18.260 ( -0.938 -7.361 6.025) 9.559 ======================= Grid point 102 (39/60) ======================= q-point: (-0.50 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -15.077 9.994 11.641) 21.511 1.737 ( 15.077 9.994 11.641) 21.511 2.081 ( -8.590 15.953 8.391) 19.968 2.081 ( 8.590 15.953 8.391) 19.968 2.322 ( -1.628 0.636 3.018) 3.487 2.322 ( 1.628 0.636 3.018) 3.487 2.460 ( -1.624 -2.019 -6.252) 6.767 2.460 ( 1.624 -2.019 -6.252) 6.767 2.658 ( -3.858 1.059 -4.259) 5.843 2.658 ( 3.858 1.059 -4.259) 5.843 2.887 ( -2.956 4.750 -0.549) 5.621 2.887 ( 2.956 4.750 -0.549) 5.621 2.969 ( -0.458 2.853 -1.993) 3.511 2.969 ( 0.458 2.853 -1.993) 3.511 3.110 ( -0.709 9.772 4.502) 10.782 3.110 ( 0.709 9.772 4.502) 10.782 3.213 ( -9.328 -4.944 1.477) 10.660 3.213 ( 9.328 -4.944 1.477) 10.660 3.337 ( -10.807 1.312 5.768) 12.320 3.337 ( 10.807 1.312 5.768) 12.320 3.594 ( -8.738 3.176 2.575) 9.648 3.594 ( 8.738 3.176 2.575) 9.648 3.671 ( -8.150 0.746 0.579) 8.204 3.671 ( 8.150 0.746 0.579) 8.204 3.892 ( -3.010 -2.165 1.881) 4.157 3.892 ( 3.010 -2.165 1.881) 4.157 3.986 ( -3.445 -4.884 0.184) 5.980 3.986 ( 3.445 -4.884 0.184) 5.980 4.178 ( -5.819 -7.120 -0.476) 9.208 4.178 ( 5.819 -7.120 -0.476) 9.208 4.474 ( -1.787 6.345 -1.212) 6.702 4.474 ( 1.787 6.345 -1.212) 6.702 4.882 ( -7.892 2.462 -1.796) 8.460 4.882 ( 7.892 2.462 -1.796) 8.460 5.018 ( -2.467 1.713 -5.844) 6.570 5.018 ( 2.467 1.713 -5.844) 6.570 5.204 ( -1.981 10.549 1.847) 10.892 5.204 ( 1.981 10.549 1.847) 10.892 5.297 ( -2.323 6.692 0.868) 7.137 5.297 ( 2.323 6.692 0.868) 7.137 5.537 ( -2.430 5.133 4.351) 7.154 5.537 ( 2.430 5.133 4.351) 7.154 5.899 ( -5.632 3.711 1.098) 6.833 5.899 ( 5.632 3.711 1.098) 6.833 6.025 ( -1.159 23.690 3.944) 24.044 6.025 ( 1.159 23.690 3.944) 24.044 6.315 ( -2.423 14.843 -4.891) 15.815 6.315 ( 2.423 14.843 -4.891) 15.815 6.965 ( -6.818 0.480 -5.752) 8.933 6.965 ( 6.818 0.480 -5.752) 8.933 7.238 ( -3.024 0.516 -8.097) 8.658 7.238 ( 3.024 0.516 -8.097) 8.658 7.443 ( -5.519 8.605 -5.213) 11.476 7.443 ( 5.519 8.605 -5.213) 11.476 7.804 ( -3.364 9.716 2.315) 10.539 7.804 ( 3.364 9.716 2.315) 10.539 7.945 ( -5.173 4.149 5.358) 8.526 7.945 ( 5.173 4.149 5.358) 8.526 8.324 ( -11.198 5.201 -2.398) 12.578 8.324 ( 11.198 5.201 -2.398) 12.578 8.431 ( -6.773 12.894 7.319) 16.300 8.431 ( 6.773 12.894 7.319) 16.300 9.022 ( -3.191 0.059 -0.587) 3.245 9.022 ( 3.191 0.059 -0.587) 3.245 9.134 ( -4.849 8.527 -2.763) 10.191 9.134 ( 4.849 8.527 -2.763) 10.191 9.617 ( -10.271 16.554 5.919) 20.361 9.617 ( 10.271 16.554 5.919) 20.361 9.912 ( -6.015 27.131 0.956) 27.806 9.912 ( 6.015 27.131 0.956) 27.806 10.346 ( -6.041 8.110 -6.548) 12.048 10.346 ( 6.041 8.110 -6.548) 12.048 10.696 ( -10.956 3.921 -1.116) 11.690 10.696 ( 10.956 3.921 -1.116) 11.690 10.991 ( -2.054 9.820 4.729) 11.091 10.991 ( 2.054 9.820 4.729) 11.091 11.143 ( -8.058 3.075 -10.351) 13.474 11.143 ( 8.058 3.075 -10.351) 13.474 11.507 ( -7.376 10.924 -1.112) 13.227 11.507 ( 7.376 10.924 -1.112) 13.227 11.686 ( -1.670 7.188 -1.655) 7.563 11.686 ( 1.670 7.188 -1.655) 7.563 11.968 ( -0.413 19.710 -5.585) 20.490 11.968 ( 0.413 19.710 -5.585) 20.490 12.890 ( -4.652 -6.623 8.554) 11.776 12.890 ( 4.652 -6.623 8.554) 11.776 13.117 ( -4.984 -4.875 4.993) 8.575 13.117 ( 4.984 -4.875 4.993) 8.575 13.559 ( -3.522 -5.041 -0.397) 6.163 13.559 ( 3.522 -5.041 -0.397) 6.163 13.792 ( -8.655 -2.076 -0.146) 8.901 13.792 ( 8.655 -2.076 -0.146) 8.901 14.269 ( -7.148 -3.705 -6.190) 10.156 14.269 ( 7.148 -3.705 -6.190) 10.156 14.979 ( -6.649 3.049 1.775) 7.527 14.979 ( 6.649 3.049 1.775) 7.527 15.145 ( -1.514 0.827 -5.855) 6.104 15.145 ( 1.514 0.827 -5.855) 6.104 15.867 ( -7.511 -1.100 -2.020) 7.855 15.867 ( 7.511 -1.100 -2.020) 7.855 16.440 ( -3.262 -9.797 -6.698) 12.308 16.440 ( 3.262 -9.797 -6.698) 12.308 17.254 ( -1.820 -8.149 -1.524) 8.488 17.254 ( 1.820 -8.149 -1.524) 8.488 17.768 ( -6.512 -5.256 6.580) 10.646 17.768 ( 6.512 -5.256 6.580) 10.646 18.235 ( -1.357 -6.686 6.544) 9.454 18.235 ( 1.357 -6.686 6.544) 9.454 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.000 12.308 15.253) 19.600 1.983 ( 0.000 11.646 15.977) 19.771 2.197 ( 0.000 -0.902 7.364) 7.419 2.302 ( 0.000 1.620 2.848) 3.277 2.340 ( 0.000 0.376 3.087) 3.110 2.413 ( 0.000 2.712 0.132) 2.716 2.562 ( 0.000 -1.210 2.105) 2.428 2.638 ( 0.000 -0.611 -1.761) 1.864 2.678 ( 0.000 5.331 -0.954) 5.416 2.732 ( 0.000 -3.224 -1.299) 3.475 2.831 ( 0.000 -2.547 1.436) 2.923 2.874 ( 0.000 4.057 -0.315) 4.070 2.884 ( 0.000 -0.252 -0.054) 0.258 2.941 ( 0.000 -0.950 1.809) 2.044 3.129 ( 0.000 7.142 -6.376) 9.574 3.148 ( 0.000 -6.822 4.457) 8.149 3.234 ( 0.000 3.338 -6.171) 7.016 3.321 ( 0.000 2.446 -2.014) 3.168 3.334 ( 0.000 0.333 1.813) 1.844 3.408 ( 0.000 0.664 0.602) 0.896 3.445 ( 0.000 5.250 0.627) 5.287 3.597 ( 0.000 5.986 -1.647) 6.209 3.610 ( 0.000 -4.944 -3.719) 6.186 3.634 ( 0.000 -2.091 2.181) 3.022 3.879 ( 0.000 3.228 -1.455) 3.540 3.898 ( 0.000 -6.022 2.381) 6.475 3.981 ( 0.000 -1.633 1.893) 2.500 4.227 ( 0.000 3.050 -5.863) 6.609 4.271 ( 0.000 0.179 2.256) 2.263 4.423 ( 0.000 1.944 2.828) 3.432 4.474 ( 0.000 5.949 7.756) 9.775 4.560 ( 0.000 -1.290 -0.403) 1.352 4.618 ( 0.000 -2.051 6.046) 6.384 4.738 ( 0.000 7.144 -5.333) 8.915 5.061 ( 0.000 1.788 -5.145) 5.447 5.079 ( 0.000 2.131 -6.376) 6.723 5.310 ( 0.000 5.856 -0.413) 5.870 5.357 ( 0.000 5.634 2.441) 6.140 5.412 ( 0.000 0.635 3.489) 3.546 5.430 ( 0.000 3.322 1.185) 3.527 5.597 ( 0.000 1.638 3.351) 3.730 5.636 ( 0.000 -4.485 5.028) 6.737 5.674 ( 0.000 2.541 0.935) 2.708 5.930 ( 0.000 -12.733 -1.337) 12.803 6.444 ( 0.000 20.048 4.015) 20.446 6.590 ( 0.000 26.669 2.891) 26.825 6.720 ( 0.000 18.719 1.182) 18.756 6.760 ( 0.000 5.020 2.307) 5.524 6.811 ( 0.000 22.346 -10.822) 24.829 7.078 ( 0.000 0.637 -4.273) 4.320 7.161 ( 0.000 -1.242 -5.290) 5.434 7.234 ( 0.000 -1.749 -7.227) 7.435 7.451 ( 0.000 6.193 -2.116) 6.545 7.645 ( 0.000 1.246 -9.940) 10.017 7.792 ( 0.000 -3.001 2.545) 3.935 7.988 ( 0.000 -2.275 -1.784) 2.891 8.208 ( 0.000 6.797 1.233) 6.908 8.239 ( 0.000 0.384 -2.486) 2.516 8.434 ( 0.000 5.849 -5.608) 8.103 8.512 ( 0.000 14.305 0.147) 14.305 8.569 ( 0.000 2.695 5.921) 6.506 8.933 ( 0.000 12.832 7.912) 15.075 8.960 ( 0.000 -5.784 -10.896) 12.336 9.060 ( 0.000 4.167 -0.005) 4.167 9.105 ( 0.000 10.210 3.346) 10.744 9.342 ( 0.000 13.773 1.165) 13.823 9.466 ( 0.000 12.127 9.822) 15.606 9.902 ( 0.000 6.154 -2.129) 6.512 10.178 ( 0.000 15.493 3.590) 15.904 10.193 ( 0.000 3.917 -1.223) 4.103 10.536 ( 0.000 13.799 -6.033) 15.061 10.553 ( 0.000 -2.802 9.979) 10.365 10.740 ( 0.000 11.605 5.010) 12.640 10.757 ( 0.000 7.873 7.006) 10.539 11.218 ( 0.000 19.364 -1.468) 19.419 11.237 ( 0.000 10.547 1.131) 10.608 11.273 ( 0.000 8.657 -9.240) 12.661 11.648 ( 0.000 6.629 -10.320) 12.265 11.695 ( 0.000 12.929 -1.763) 13.049 11.739 ( 0.000 17.750 -8.512) 19.685 11.871 ( 0.000 16.113 4.801) 16.813 12.142 ( 0.000 8.463 -0.816) 8.502 12.197 ( 0.000 23.759 -1.277) 23.793 12.412 ( 0.000 24.902 -2.419) 25.019 12.744 ( 0.000 -4.611 2.952) 5.475 12.963 ( 0.000 1.305 -5.483) 5.636 12.982 ( 0.000 -15.580 8.025) 17.526 13.010 ( 0.000 -7.433 4.179) 8.527 13.288 ( 0.000 -9.965 2.509) 10.276 13.517 ( 0.000 -10.569 9.930) 14.502 13.527 ( 0.000 2.839 -3.110) 4.211 13.836 ( 0.000 -13.447 -2.001) 13.595 14.254 ( 0.000 9.238 -8.990) 12.891 14.529 ( 0.000 -1.736 -16.045) 16.139 14.877 ( 0.000 4.372 5.561) 7.074 14.972 ( 0.000 -10.060 -7.251) 12.401 15.155 ( 0.000 0.548 -2.029) 2.102 15.392 ( 0.000 11.312 -5.328) 12.504 15.495 ( 0.000 -2.290 7.861) 8.188 15.907 ( 0.000 -15.857 -2.031) 15.987 16.293 ( 0.000 6.005 -12.948) 14.273 16.332 ( 0.000 -8.121 -7.649) 11.156 16.958 ( 0.000 -16.108 -1.516) 16.179 17.102 ( 0.000 -12.337 -6.782) 14.078 17.525 ( 0.000 2.972 14.574) 14.874 17.861 ( 0.000 -1.521 4.292) 4.554 18.081 ( 0.000 -6.542 7.221) 9.743 18.089 ( 0.000 -10.544 7.381) 12.871 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.25 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 4.536 13.320 12.343) 18.717 2.090 ( 6.057 7.549 9.963) 13.891 2.185 ( -2.612 5.189 10.862) 12.318 2.244 ( -2.020 0.135 0.758) 2.162 2.344 ( 0.590 1.140 3.388) 3.623 2.448 ( 0.848 3.337 2.129) 4.048 2.475 ( -6.003 0.468 -0.587) 6.049 2.553 ( -8.085 0.397 -3.558) 8.842 2.658 ( -0.835 3.979 -0.189) 4.070 2.714 ( -1.316 2.114 -0.672) 2.579 2.845 ( 6.636 -4.370 1.075) 8.018 2.867 ( 1.648 -4.828 2.993) 5.915 2.932 ( -0.433 -2.997 0.512) 3.071 3.004 ( 3.392 1.761 0.898) 3.926 3.068 ( -2.886 0.548 -3.698) 4.723 3.185 ( 0.853 -0.715 2.239) 2.500 3.234 ( -5.145 -0.400 0.693) 5.207 3.308 ( 1.409 2.855 -0.904) 3.310 3.334 ( 1.764 1.184 -1.034) 2.362 3.425 ( -0.716 5.227 -0.909) 5.353 3.503 ( 6.886 0.637 -1.248) 7.027 3.596 ( 0.889 2.066 -3.082) 3.816 3.665 ( 3.672 5.005 1.489) 6.384 3.703 ( 4.974 -8.469 -2.679) 10.180 3.812 ( -2.698 -3.297 3.596) 5.575 3.910 ( -1.767 2.358 -0.046) 2.947 3.967 ( -0.557 -3.702 1.949) 4.220 4.093 ( -7.335 1.020 -2.440) 7.797 4.213 ( -10.287 12.572 9.035) 18.588 4.232 ( -8.757 -1.376 0.944) 8.914 4.490 ( 4.672 4.315 1.991) 6.664 4.670 ( 4.690 4.881 -1.946) 7.043 4.727 ( 3.276 3.093 -1.460) 4.736 4.851 ( 11.545 -3.243 -0.997) 12.033 5.055 ( -2.302 1.549 -5.407) 6.078 5.076 ( -0.717 2.262 -6.376) 6.803 5.274 ( -1.095 4.393 1.791) 4.868 5.357 ( -0.763 1.926 2.392) 3.164 5.399 ( -1.155 4.439 2.336) 5.147 5.420 ( -0.790 2.361 1.494) 2.903 5.581 ( -0.358 1.826 3.829) 4.257 5.622 ( -0.977 -0.845 4.706) 4.880 5.741 ( 4.694 -2.651 0.428) 5.408 5.906 ( -2.327 -10.883 -1.378) 11.214 6.473 ( 2.424 20.582 4.609) 21.231 6.565 ( -1.938 24.771 3.256) 25.059 6.720 ( -0.184 20.340 1.370) 20.387 6.749 ( -1.770 15.320 0.683) 15.437 6.861 ( 5.716 10.501 -9.510) 15.277 7.059 ( -1.868 1.604 -4.976) 5.552 7.172 ( 1.482 -1.072 -5.726) 6.011 7.251 ( 0.535 -0.656 -7.268) 7.317 7.463 ( 1.609 4.745 -3.089) 5.886 7.648 ( -1.653 0.299 -4.703) 4.994 7.808 ( 2.329 -4.458 -2.429) 5.586 7.967 ( -2.273 -3.688 -2.280) 4.895 8.059 ( -8.734 7.621 -2.521) 11.862 8.228 ( -5.316 6.184 0.197) 8.157 8.280 ( -4.176 6.657 5.305) 9.482 8.517 ( -0.540 7.349 4.620) 8.698 8.680 ( 5.771 5.687 -4.594) 9.314 8.827 ( -5.295 3.756 -6.563) 9.231 8.938 ( -4.372 4.918 4.203) 7.808 9.051 ( -0.267 -1.673 2.522) 3.038 9.274 ( 13.775 18.308 6.468) 23.807 9.390 ( 2.369 18.076 -1.285) 18.276 9.610 ( 11.090 10.467 10.024) 18.249 10.044 ( 4.363 7.021 -0.963) 8.322 10.157 ( 4.406 8.404 0.857) 9.527 10.263 ( 6.793 9.837 -5.411) 13.122 10.485 ( -9.345 8.697 5.063) 13.733 10.597 ( 1.196 12.245 -3.456) 12.779 10.681 ( 7.571 1.257 5.072) 9.199 10.878 ( 3.039 6.317 -2.286) 7.373 11.105 ( -7.131 10.778 0.391) 12.929 11.208 ( -0.851 10.286 -0.379) 10.328 11.266 ( -3.895 14.123 -3.086) 14.971 11.547 ( -8.635 11.927 -9.028) 17.272 11.690 ( 2.006 17.172 -1.864) 17.389 11.785 ( 2.850 10.012 -5.747) 11.890 11.901 ( 1.221 15.987 2.000) 16.158 11.996 ( -6.961 17.121 1.374) 18.533 12.302 ( 3.974 17.974 -2.106) 18.528 12.409 ( -0.734 23.056 -0.214) 23.069 12.738 ( -0.089 -5.378 2.205) 5.814 12.872 ( -7.827 -9.299 6.240) 13.662 12.988 ( 1.562 -2.328 -2.540) 3.783 13.014 ( 0.292 -7.574 3.744) 8.454 13.296 ( 1.398 -12.534 3.309) 13.038 13.455 ( -4.633 -12.011 6.274) 14.321 13.623 ( 6.302 -0.211 -1.450) 6.470 13.808 ( -2.569 -12.480 -2.175) 12.926 14.238 ( -0.630 8.772 -9.393) 12.867 14.413 ( -8.460 0.846 -12.428) 15.058 14.926 ( 3.060 0.559 1.410) 3.415 14.973 ( 0.057 -9.243 -6.437) 11.264 15.162 ( 0.880 2.536 -0.584) 2.747 15.283 ( -5.202 7.573 2.122) 9.429 15.665 ( 9.945 0.679 -0.620) 9.987 15.895 ( -1.394 -12.636 -2.766) 13.010 16.283 ( -0.277 -0.057 -9.289) 9.293 16.328 ( -0.843 -2.480 -7.982) 8.401 16.983 ( 2.274 -15.369 -3.073) 15.837 17.086 ( -1.554 -12.563 -6.749) 14.345 17.580 ( 5.018 1.617 13.015) 14.042 17.818 ( -4.076 -1.272 5.823) 7.220 18.076 ( -0.101 -8.087 7.715) 11.177 18.089 ( -0.231 -9.207 7.161) 11.666 ======================= Grid point 107 (42/60) ======================= q-point: (-0.50 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -11.662 11.170 6.959) 17.585 1.953 ( 11.662 11.170 6.959) 17.585 2.248 ( -2.284 2.230 6.075) 6.862 2.248 ( 2.284 2.230 6.075) 6.862 2.351 ( -2.196 1.649 2.256) 3.554 2.351 ( 2.196 1.649 2.256) 3.554 2.465 ( -2.450 3.103 -0.788) 4.031 2.465 ( 2.450 3.103 -0.788) 4.031 2.675 ( -2.136 1.807 -0.531) 2.848 2.675 ( 2.136 1.807 -0.531) 2.848 2.901 ( -1.439 -3.458 2.783) 4.666 2.901 ( 1.439 -3.458 2.783) 4.666 3.000 ( -4.899 -3.502 -4.814) 7.710 3.000 ( 4.899 -3.502 -4.814) 7.710 3.084 ( -5.964 -2.713 4.542) 7.973 3.084 ( 5.964 -2.713 4.542) 7.973 3.248 ( -3.965 2.200 2.733) 5.295 3.248 ( 3.965 2.200 2.733) 5.295 3.410 ( -2.255 4.554 -3.004) 5.903 3.410 ( 2.255 4.554 -3.004) 5.903 3.595 ( -2.526 -1.675 -1.618) 3.436 3.595 ( 2.526 -1.675 -1.618) 3.436 3.745 ( -2.083 0.229 0.295) 2.116 3.745 ( 2.083 0.229 0.295) 2.116 3.838 ( -1.586 -4.248 1.123) 4.672 3.838 ( 1.586 -4.248 1.123) 4.672 3.982 ( -1.723 2.816 1.759) 3.741 3.982 ( 1.723 2.816 1.759) 3.741 4.096 ( -1.490 7.511 4.412) 8.838 4.096 ( 1.490 7.511 4.412) 8.838 4.608 ( -5.510 6.378 -1.078) 8.497 4.608 ( 5.510 6.378 -1.078) 8.497 4.917 ( -9.624 1.063 -2.515) 10.004 4.917 ( 9.624 1.063 -2.515) 10.004 5.029 ( -5.129 -0.683 -5.789) 7.764 5.029 ( 5.129 -0.683 -5.789) 7.764 5.307 ( -3.260 1.581 2.982) 4.693 5.307 ( 3.260 1.581 2.982) 4.693 5.399 ( -1.042 3.937 1.479) 4.333 5.399 ( 1.042 3.937 1.479) 4.333 5.595 ( -1.390 0.961 4.463) 4.772 5.595 ( 1.390 0.961 4.463) 4.772 5.837 ( -4.217 -7.130 -0.838) 8.325 5.837 ( 4.217 -7.130 -0.838) 8.325 6.523 ( -2.155 22.234 4.437) 22.774 6.523 ( 2.155 22.234 4.437) 22.774 6.720 ( -0.639 19.937 0.570) 19.956 6.720 ( 0.639 19.937 0.570) 19.956 6.989 ( -5.217 4.170 -7.018) 9.688 6.989 ( 5.217 4.170 -7.018) 9.688 7.224 ( -2.866 -0.233 -6.753) 7.340 7.224 ( 2.866 -0.233 -6.753) 7.340 7.543 ( -6.203 1.712 -4.494) 7.849 7.543 ( 6.203 1.712 -4.494) 7.849 7.891 ( -4.688 -5.177 -5.199) 8.707 7.891 ( 4.688 -5.177 -5.199) 8.707 8.029 ( -5.812 9.474 5.263) 12.298 8.029 ( 5.812 9.474 5.263) 12.298 8.401 ( -8.685 1.215 0.124) 8.771 8.401 ( 8.685 1.215 0.124) 8.771 8.747 ( -5.584 13.709 1.183) 14.850 8.747 ( 5.584 13.709 1.183) 14.850 8.990 ( -5.856 -1.539 2.520) 6.558 8.990 ( 5.856 -1.539 2.520) 6.558 9.412 ( -0.694 18.323 -0.596) 18.345 9.412 ( 0.694 18.323 -0.596) 18.345 9.908 ( -14.837 12.023 9.561) 21.357 9.908 ( 14.837 12.023 9.561) 21.357 10.271 ( -8.540 7.420 1.729) 11.445 10.271 ( 8.540 7.420 1.729) 11.445 10.550 ( -11.074 9.097 -12.237) 18.845 10.550 ( 11.074 9.097 -12.237) 18.845 10.823 ( -4.824 10.479 -1.762) 11.670 10.823 ( 4.824 10.479 -1.762) 11.670 11.086 ( -6.333 0.506 -0.104) 6.354 11.086 ( 6.333 0.506 -0.104) 6.354 11.343 ( -9.593 15.696 -0.122) 18.396 11.343 ( 9.593 15.696 -0.122) 18.396 11.780 ( -4.657 14.510 -5.895) 16.340 11.780 ( 4.657 14.510 -5.895) 16.340 11.913 ( -1.678 17.711 3.829) 18.197 11.913 ( 1.678 17.711 3.829) 18.197 12.365 ( -3.015 18.105 -1.058) 18.385 12.365 ( 3.015 18.105 -1.058) 18.385 12.758 ( -2.658 -7.258 4.398) 8.893 12.758 ( 2.658 -7.258 4.398) 8.893 13.013 ( -0.764 -3.486 1.143) 3.747 13.013 ( 0.764 -3.486 1.143) 3.747 13.354 ( -4.297 -14.260 4.239) 15.485 13.354 ( 4.297 -14.260 4.239) 15.485 13.737 ( -4.394 -7.069 -2.413) 8.666 13.737 ( 4.394 -7.069 -2.413) 8.666 14.270 ( -4.370 5.569 -9.939) 12.202 14.270 ( 4.370 5.569 -9.939) 12.202 14.968 ( -0.893 -5.896 -3.781) 7.061 14.968 ( 0.893 -5.896 -3.781) 7.061 15.201 ( -2.944 6.449 2.517) 7.523 15.201 ( 2.944 6.449 2.517) 7.523 15.830 ( -5.496 -4.807 -3.346) 8.032 15.830 ( 5.496 -4.807 -3.346) 8.032 16.297 ( -1.577 -1.585 -6.883) 7.237 16.297 ( 1.577 -1.585 -6.883) 7.237 17.039 ( -2.823 -13.652 -5.644) 15.040 17.039 ( 2.823 -13.652 -5.644) 15.040 17.705 ( -6.401 -0.382 9.406) 11.384 17.705 ( 6.401 -0.382 9.406) 11.384 18.080 ( -0.470 -8.721 7.560) 11.551 18.080 ( 0.470 -8.721 7.560) 11.551 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 0.000 10.591 8.607) 13.648 2.137 ( 0.000 -4.522 6.537) 7.948 2.194 ( 0.000 8.134 8.267) 11.598 2.305 ( 0.000 -2.668 5.095) 5.751 2.376 ( 0.000 3.802 4.604) 5.970 2.438 ( 0.000 -0.776 3.100) 3.196 2.546 ( 0.000 0.324 2.764) 2.783 2.604 ( 0.000 -6.169 3.235) 6.966 2.684 ( 0.000 4.588 -0.593) 4.626 2.752 ( 0.000 1.299 0.228) 1.319 2.779 ( 0.000 -1.586 7.097) 7.272 2.826 ( 0.000 -7.105 4.555) 8.440 2.918 ( 0.000 2.574 -0.214) 2.583 2.985 ( 0.000 -4.809 3.751) 6.099 3.015 ( 0.000 6.976 1.229) 7.083 3.177 ( 0.000 -7.133 -0.912) 7.191 3.271 ( 0.000 1.394 -8.083) 8.202 3.276 ( 0.000 1.219 -7.499) 7.597 3.387 ( 0.000 1.236 -3.209) 3.439 3.447 ( 0.000 3.014 -3.615) 4.706 3.457 ( 0.000 -5.424 -3.280) 6.339 3.507 ( 0.000 0.635 -1.281) 1.430 3.607 ( 0.000 2.996 -3.950) 4.957 3.667 ( 0.000 -2.747 -2.998) 4.066 3.798 ( 0.000 -1.702 3.322) 3.732 3.855 ( 0.000 -5.317 3.500) 6.366 4.157 ( 0.000 8.021 -4.761) 9.327 4.245 ( 0.000 -1.886 -6.361) 6.634 4.450 ( 0.000 15.562 7.755) 17.387 4.451 ( 0.000 1.912 3.465) 3.957 4.505 ( 0.000 -0.864 1.629) 1.844 4.602 ( 0.000 -0.574 7.425) 7.447 4.612 ( 0.000 5.946 4.377) 7.383 4.786 ( 0.000 -4.993 -2.198) 5.456 5.094 ( 0.000 1.464 -5.289) 5.488 5.108 ( 0.000 0.454 -5.625) 5.644 5.404 ( 0.000 0.881 1.546) 1.779 5.407 ( 0.000 2.974 0.924) 3.114 5.427 ( 0.000 -0.007 1.002) 1.002 5.464 ( 0.000 -0.626 1.395) 1.529 5.544 ( 0.000 0.706 2.621) 2.715 5.639 ( 0.000 1.427 2.648) 3.008 5.670 ( 0.000 -3.745 0.814) 3.833 5.680 ( 0.000 -8.757 1.304) 8.853 6.717 ( 0.000 7.132 2.569) 7.581 6.769 ( 0.000 0.263 1.277) 1.304 6.945 ( 0.000 6.667 1.694) 6.879 6.963 ( 0.000 2.785 1.052) 2.977 7.135 ( 0.000 7.409 -4.063) 8.450 7.174 ( 0.000 2.162 -4.479) 4.974 7.221 ( 0.000 10.993 -7.893) 13.532 7.256 ( 0.000 4.349 -6.111) 7.501 7.575 ( 0.000 5.638 -6.068) 8.283 7.612 ( 0.000 -2.426 -7.679) 8.053 7.716 ( 0.000 -2.022 4.369) 4.814 7.850 ( 0.000 -10.108 -0.014) 10.108 8.261 ( 0.000 1.402 -2.469) 2.839 8.274 ( 0.000 0.645 0.474) 0.801 8.534 ( 0.000 3.820 1.727) 4.193 8.583 ( 0.000 -1.163 6.403) 6.508 8.691 ( 0.000 7.081 -7.352) 10.208 8.831 ( 0.000 -6.988 -10.100) 12.282 9.078 ( 0.000 3.141 2.747) 4.173 9.099 ( 0.000 0.468 1.079) 1.176 9.351 ( 0.000 9.342 5.635) 10.909 9.455 ( 0.000 -1.067 4.950) 5.064 9.790 ( 0.000 18.476 2.897) 18.702 10.051 ( 0.000 -2.080 -5.178) 5.580 10.181 ( 0.000 4.546 7.144) 8.468 10.330 ( 0.000 -2.843 2.047) 3.503 10.506 ( 0.000 1.473 7.798) 7.936 10.567 ( 0.000 -2.804 -1.073) 3.002 10.938 ( 0.000 9.150 11.763) 14.902 11.014 ( 0.000 4.868 9.212) 10.419 11.351 ( 0.000 2.999 -9.110) 9.591 11.356 ( 0.000 2.853 -13.753) 14.046 11.671 ( 0.000 18.618 -4.626) 19.184 11.806 ( 0.000 5.913 -9.197) 10.934 11.958 ( 0.000 10.873 -10.922) 15.411 12.008 ( 0.000 7.415 -12.036) 14.136 12.167 ( 0.000 10.661 10.580) 15.020 12.237 ( 0.000 1.171 8.085) 8.170 12.620 ( 0.000 5.396 2.747) 6.055 12.700 ( 0.000 -1.831 3.292) 3.767 12.711 ( 0.000 -4.527 3.925) 5.992 12.742 ( 0.000 10.969 5.387) 12.221 12.807 ( 0.000 -11.308 -3.109) 11.727 12.998 ( 0.000 3.077 -0.437) 3.108 13.215 ( 0.000 4.718 -2.718) 5.445 13.357 ( 0.000 1.078 10.308) 10.364 13.470 ( 0.000 -10.470 -5.447) 11.803 13.560 ( 0.000 -14.082 3.966) 14.630 14.464 ( 0.000 11.406 -9.506) 14.848 14.561 ( 0.000 4.847 -13.629) 14.466 14.752 ( 0.000 -10.495 -10.355) 14.743 14.798 ( 0.000 -9.871 -9.849) 13.944 15.294 ( 0.000 12.490 6.615) 14.134 15.549 ( 0.000 5.792 4.034) 7.059 15.565 ( 0.000 -4.597 2.081) 5.046 15.602 ( 0.000 -6.228 -0.323) 6.236 16.200 ( 0.000 -2.274 -6.285) 6.684 16.292 ( 0.000 -7.089 -10.103) 12.342 16.772 ( 0.000 0.015 -6.183) 6.183 16.884 ( 0.000 -9.135 -9.166) 12.941 17.647 ( 0.000 9.062 12.740) 15.634 17.848 ( 0.000 -6.414 8.919) 10.985 17.884 ( 0.000 -2.996 6.975) 7.591 17.955 ( 0.000 -5.706 7.009) 9.038 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.25 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( 4.097 10.566 5.886) 12.770 2.164 ( 2.527 -4.374 3.455) 6.120 2.212 ( 0.221 5.044 5.592) 7.534 2.283 ( -1.797 -1.209 4.330) 4.842 2.388 ( 1.021 4.431 6.786) 8.169 2.456 ( 0.619 -0.905 4.705) 4.831 2.535 ( -0.694 3.229 -0.099) 3.304 2.583 ( -5.952 0.675 -0.245) 5.995 2.682 ( 3.642 -4.213 4.125) 6.930 2.695 ( -3.183 -0.317 1.388) 3.487 2.809 ( 0.155 0.816 4.988) 5.057 2.832 ( 1.432 1.869 5.756) 6.218 2.853 ( -1.203 -1.927 1.582) 2.769 2.957 ( -1.887 -7.105 2.098) 7.645 3.023 ( -1.404 1.109 1.542) 2.362 3.105 ( -4.616 -5.662 0.692) 7.337 3.313 ( 1.860 4.199 -4.947) 6.750 3.326 ( 1.579 0.520 -4.369) 4.675 3.395 ( 1.018 3.965 -3.125) 5.150 3.478 ( 2.498 0.759 -5.146) 5.770 3.496 ( 2.145 -1.925 -3.418) 4.471 3.555 ( 5.243 -4.347 -2.656) 7.310 3.604 ( -0.205 0.957 -4.408) 4.516 3.661 ( 0.050 -3.373 -2.487) 4.191 3.775 ( -0.523 0.890 4.334) 4.455 3.851 ( -0.243 -5.812 3.046) 6.566 4.028 ( -9.111 4.119 -2.826) 10.391 4.104 ( -10.056 -3.568 -2.921) 11.063 4.429 ( 0.562 19.168 5.238) 19.879 4.501 ( -1.071 12.575 6.676) 14.277 4.577 ( 4.162 3.430 3.822) 6.610 4.673 ( 9.518 -2.421 -0.960) 9.868 4.750 ( 4.771 -4.097 0.959) 6.362 4.786 ( 4.672 -3.729 -0.774) 6.028 5.075 ( -3.034 0.824 -5.714) 6.522 5.096 ( -2.671 -0.746 -5.686) 6.326 5.343 ( -2.608 2.528 2.332) 4.316 5.366 ( -2.233 0.771 1.776) 2.955 5.423 ( -0.892 -0.998 1.239) 1.824 5.446 ( -1.705 -1.636 1.436) 2.765 5.585 ( 2.316 2.000 2.305) 3.831 5.634 ( -0.364 2.069 2.803) 3.503 5.681 ( 0.955 -4.464 0.794) 4.634 5.698 ( 0.892 -7.181 0.947) 7.298 6.751 ( 2.896 7.260 2.154) 8.108 6.805 ( 2.999 0.525 0.431) 3.075 6.900 ( -3.202 7.156 1.310) 7.949 6.943 ( -2.089 1.427 0.974) 2.711 7.157 ( 2.008 8.195 -3.396) 9.095 7.184 ( 2.114 2.675 -3.975) 5.237 7.227 ( 0.390 11.832 -5.357) 12.994 7.290 ( 1.138 3.845 -5.827) 7.073 7.552 ( -1.192 4.441 -5.634) 7.272 7.625 ( -0.063 -0.885 -6.064) 6.128 7.690 ( -1.670 -4.805 0.800) 5.149 7.813 ( -3.445 -10.406 -1.808) 11.110 8.191 ( -3.176 5.800 0.088) 6.613 8.275 ( 0.957 -2.031 0.943) 2.435 8.409 ( -10.333 7.202 1.744) 12.716 8.530 ( -6.860 -4.152 2.875) 8.518 8.769 ( 7.104 3.775 -7.315) 10.873 8.831 ( 1.881 -2.204 -8.219) 8.715 9.018 ( -2.667 2.214 4.501) 5.681 9.036 ( -1.477 -0.150 4.716) 4.944 9.631 ( 17.032 10.373 4.331) 20.407 9.653 ( 10.476 7.580 4.407) 13.661 9.825 ( 3.921 12.619 4.619) 13.998 10.054 ( -0.076 -6.969 -3.039) 7.603 10.258 ( 8.490 5.249 3.999) 10.753 10.340 ( 2.852 -1.086 -1.150) 3.261 10.588 ( 1.697 2.266 -0.901) 2.971 10.653 ( 8.802 -3.390 1.125) 9.499 10.797 ( -6.480 12.264 9.535) 16.832 10.994 ( -3.885 -4.558 8.387) 10.306 11.232 ( -8.648 7.158 -11.929) 16.380 11.297 ( -8.156 0.845 -9.940) 12.885 11.712 ( 2.214 20.131 -2.622) 20.421 11.786 ( -1.947 12.047 -5.864) 13.539 11.954 ( -0.427 5.760 -9.156) 10.825 11.979 ( -1.329 5.497 -7.391) 9.307 12.208 ( 4.069 11.166 7.543) 14.076 12.260 ( 2.876 7.114 6.950) 10.353 12.606 ( -6.132 -1.952 4.770) 8.010 12.623 ( -0.689 1.859 1.875) 2.728 12.676 ( -2.989 -3.923 2.692) 5.619 12.726 ( -3.972 12.367 6.335) 14.452 12.864 ( 4.509 -13.435 -0.778) 14.193 13.046 ( 4.513 7.195 -0.166) 8.495 13.132 ( -5.894 -2.827 -0.666) 6.571 13.263 ( -6.124 3.018 3.800) 7.813 13.488 ( -0.108 -13.501 -4.242) 14.152 13.534 ( -2.147 -13.978 2.252) 14.320 14.455 ( -0.117 12.825 -10.135) 16.346 14.532 ( -2.531 10.220 -12.305) 16.195 14.745 ( 0.052 -12.929 -9.458) 16.019 14.790 ( -1.014 -11.702 -10.238) 15.581 15.324 ( 2.686 12.402 6.356) 14.192 15.465 ( -3.920 10.285 4.125) 11.754 15.606 ( 1.639 -15.056 2.842) 15.410 15.645 ( 1.599 -5.436 -0.336) 5.676 16.269 ( 7.005 5.056 -6.449) 10.780 16.392 ( 6.855 -0.719 -10.961) 12.948 16.731 ( -3.166 -5.058 -5.972) 8.443 16.840 ( -4.197 -11.360 -9.359) 15.305 17.680 ( 2.991 7.972 11.952) 14.675 17.835 ( -2.509 2.372 7.456) 8.217 17.875 ( 0.549 -9.964 9.457) 13.748 17.939 ( -1.414 -6.627 7.556) 10.149 ======================= Grid point 112 (45/60) ======================= q-point: (-0.50 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -6.384 7.061 2.264) 9.785 2.142 ( 6.384 7.061 2.264) 9.785 2.233 ( -3.355 -2.765 2.060) 4.811 2.233 ( 3.355 -2.765 2.060) 4.811 2.421 ( -3.352 5.849 5.384) 8.627 2.421 ( 3.352 5.849 5.384) 8.627 2.511 ( -3.152 -0.700 3.287) 4.608 2.511 ( 3.152 -0.700 3.287) 4.608 2.725 ( -4.690 2.143 1.349) 5.330 2.725 ( 4.690 2.143 1.349) 5.330 2.786 ( -5.377 -5.961 3.283) 8.673 2.786 ( 5.377 -5.961 3.283) 8.673 2.928 ( -4.140 0.555 2.971) 5.126 2.928 ( 4.140 0.555 2.971) 5.126 3.013 ( -3.486 -5.790 4.209) 7.961 3.013 ( 3.486 -5.790 4.209) 7.961 3.330 ( -0.869 6.236 -2.667) 6.838 3.330 ( 0.869 6.236 -2.667) 6.838 3.442 ( -3.275 -3.064 -3.836) 5.902 3.442 ( 3.275 -3.064 -3.836) 5.902 3.574 ( -1.967 1.640 -3.062) 3.992 3.574 ( 1.967 1.640 -3.062) 3.992 3.655 ( -1.929 -5.710 -3.903) 7.180 3.655 ( 1.929 -5.710 -3.903) 7.180 3.841 ( -6.405 2.911 0.864) 7.088 3.841 ( 6.405 2.911 0.864) 7.088 3.916 ( -6.213 -4.407 0.338) 7.625 3.916 ( 6.213 -4.407 0.338) 7.625 4.458 ( -2.078 18.914 5.794) 19.890 4.458 ( 2.078 18.914 5.794) 19.890 4.677 ( -4.285 -1.712 1.144) 4.754 4.677 ( 4.285 -1.712 1.144) 4.754 4.925 ( -10.189 0.351 -2.947) 10.612 4.925 ( 10.189 0.351 -2.947) 10.612 4.975 ( -8.430 -4.384 -3.608) 10.164 4.975 ( 8.430 -4.384 -3.608) 10.164 5.341 ( -0.974 2.875 1.698) 3.478 5.341 ( 0.974 2.875 1.698) 3.478 5.412 ( -0.761 -2.845 1.328) 3.230 5.412 ( 0.761 -2.845 1.328) 3.230 5.620 ( -1.124 2.560 2.684) 3.875 5.620 ( 1.124 2.560 2.684) 3.875 5.700 ( -0.632 -5.630 0.768) 5.717 5.700 ( 0.632 -5.630 0.768) 5.717 6.818 ( -3.165 7.795 1.495) 8.545 6.818 ( 3.165 7.795 1.495) 8.545 6.886 ( -3.050 0.149 0.060) 3.054 6.886 ( 3.050 0.149 0.060) 3.054 7.208 ( -2.298 11.048 -3.075) 11.696 7.208 ( 2.298 11.048 -3.075) 11.696 7.259 ( -3.856 2.998 -3.956) 6.285 7.259 ( 3.856 2.998 -3.956) 6.285 7.567 ( -3.107 3.172 -3.792) 5.839 7.567 ( 3.107 3.172 -3.792) 5.839 7.726 ( -4.187 -10.315 -4.579) 12.037 7.726 ( 4.187 -10.315 -4.579) 12.037 8.218 ( -6.055 8.854 1.563) 10.840 8.218 ( 6.055 8.854 1.563) 10.840 8.360 ( -7.153 -5.094 0.885) 8.826 8.360 ( 7.153 -5.094 0.885) 8.826 8.911 ( -4.976 4.377 -1.440) 6.782 8.911 ( 4.976 4.377 -1.440) 6.782 8.964 ( -5.229 -1.562 0.590) 5.489 8.964 ( 5.229 -1.562 0.590) 5.489 9.775 ( -1.714 16.055 2.921) 16.409 9.775 ( 1.714 16.055 2.921) 16.409 9.993 ( -7.893 -4.819 5.568) 10.795 9.993 ( 7.893 -4.819 5.568) 10.795 10.418 ( -8.847 10.222 3.189) 13.890 10.418 ( 8.847 10.222 3.189) 13.890 10.589 ( -11.069 -4.606 -5.238) 13.083 10.589 ( 11.069 -4.606 -5.238) 13.083 10.983 ( -11.805 4.976 -3.535) 13.289 10.983 ( 11.805 4.976 -3.535) 13.289 11.057 ( -9.733 -2.886 -2.489) 10.452 11.057 ( 9.733 -2.886 -2.489) 10.452 11.744 ( -1.611 20.874 -1.530) 20.991 11.744 ( 1.611 20.874 -1.530) 20.991 11.960 ( -0.914 1.464 -6.665) 6.884 11.960 ( 0.914 1.464 -6.665) 6.884 12.307 ( -2.490 16.064 6.739) 17.597 12.307 ( 2.490 16.064 6.739) 17.597 12.533 ( -3.962 -8.074 5.678) 10.636 12.533 ( 3.962 -8.074 5.678) 10.636 12.657 ( -1.553 8.970 1.939) 9.308 12.657 ( 1.553 8.970 1.939) 9.308 12.987 ( -7.284 -16.297 1.023) 17.880 12.987 ( 7.284 -16.297 1.023) 17.880 13.160 ( -5.162 12.147 -0.133) 13.199 13.160 ( 5.162 12.147 -0.133) 13.199 13.490 ( -1.402 -16.558 -2.126) 16.753 13.490 ( 1.402 -16.558 -2.126) 16.753 14.478 ( -2.207 13.892 -10.801) 17.735 14.478 ( 2.207 13.892 -10.801) 17.735 14.762 ( -1.388 -13.639 -9.677) 16.781 14.762 ( 1.388 -13.639 -9.677) 16.781 15.390 ( -3.501 11.902 5.478) 13.562 15.390 ( 3.501 11.902 5.478) 13.562 15.641 ( -1.456 -12.625 1.342) 12.779 15.641 ( 1.456 -12.625 1.342) 12.779 16.427 ( -5.439 12.915 -8.732) 16.512 16.427 ( 5.439 12.915 -8.732) 16.512 16.732 ( -4.697 -16.613 -8.194) 19.110 16.732 ( 4.697 -16.613 -8.194) 19.110 17.758 ( -4.247 5.481 9.816) 12.018 17.758 ( 4.247 5.481 9.816) 12.018 17.904 ( -1.806 -8.698 8.790) 12.497 17.904 ( 1.806 -8.698 8.790) 12.497 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.000 0.000 19.672) 19.672 1.832 ( 0.000 0.000 -14.106) 14.106 1.842 ( 0.000 0.000 22.629) 22.629 2.149 ( 0.000 0.000 11.113) 11.113 2.193 ( 0.000 0.000 -8.605) 8.605 2.331 ( 0.000 0.000 -5.108) 5.108 2.475 ( 0.000 0.000 1.686) 1.686 2.483 ( 0.000 0.000 8.847) 8.847 2.524 ( 0.000 0.000 1.669) 1.669 2.614 ( 0.000 0.000 0.536) 0.536 2.673 ( 0.000 0.000 -4.322) 4.322 2.676 ( 0.000 0.000 2.118) 2.118 2.741 ( 0.000 0.000 -8.837) 8.837 2.829 ( 0.000 0.000 -10.351) 10.351 2.853 ( 0.000 0.000 20.269) 20.269 3.069 ( 0.000 0.000 3.675) 3.675 3.178 ( 0.000 0.000 -6.783) 6.783 3.182 ( 0.000 0.000 -10.510) 10.510 3.229 ( 0.000 0.000 10.226) 10.226 3.239 ( 0.000 0.000 1.105) 1.105 3.306 ( 0.000 0.000 0.363) 0.363 3.586 ( 0.000 0.000 -10.143) 10.143 3.989 ( 0.000 0.000 5.691) 5.691 4.009 ( 0.000 0.000 -3.046) 3.046 4.035 ( 0.000 0.000 1.819) 1.819 4.048 ( 0.000 0.000 -9.690) 9.690 4.099 ( 0.000 0.000 0.701) 0.701 4.100 ( 0.000 0.000 0.878) 0.878 4.117 ( 0.000 0.000 3.509) 3.509 4.183 ( 0.000 0.000 -3.914) 3.914 4.513 ( 0.000 0.000 -0.345) 0.345 4.521 ( 0.000 0.000 -1.520) 1.520 4.535 ( 0.000 0.000 3.992) 3.992 4.569 ( 0.000 0.000 1.301) 1.301 4.808 ( 0.000 0.000 3.439) 3.439 4.856 ( 0.000 0.000 5.450) 5.450 4.879 ( 0.000 0.000 -3.340) 3.340 4.899 ( 0.000 0.000 -1.255) 1.255 4.954 ( 0.000 0.000 1.473) 1.473 4.955 ( 0.000 0.000 -2.385) 2.385 5.429 ( 0.000 0.000 -0.885) 0.885 5.434 ( 0.000 0.000 0.478) 0.478 5.557 ( 0.000 0.000 4.740) 4.740 5.692 ( 0.000 0.000 -8.390) 8.390 5.702 ( 0.000 0.000 0.707) 0.707 5.715 ( 0.000 0.000 -0.989) 0.989 5.918 ( 0.000 0.000 10.324) 10.324 6.133 ( 0.000 0.000 -10.203) 10.203 6.817 ( 0.000 0.000 10.329) 10.329 6.914 ( 0.000 0.000 0.359) 0.359 7.101 ( 0.000 0.000 2.436) 2.436 7.183 ( 0.000 0.000 1.305) 1.305 7.192 ( 0.000 0.000 -5.606) 5.606 7.250 ( 0.000 0.000 -5.679) 5.679 7.470 ( 0.000 0.000 13.862) 13.862 7.675 ( 0.000 0.000 -9.291) 9.291 7.730 ( 0.000 0.000 5.341) 5.341 8.001 ( 0.000 0.000 2.352) 2.352 8.045 ( 0.000 0.000 -19.319) 19.319 8.097 ( 0.000 0.000 -5.836) 5.836 8.541 ( 0.000 0.000 5.977) 5.977 8.613 ( 0.000 0.000 0.842) 0.842 8.650 ( 0.000 0.000 5.592) 5.592 8.742 ( 0.000 0.000 -2.200) 2.200 9.003 ( 0.000 0.000 7.371) 7.371 9.078 ( 0.000 0.000 0.120) 0.120 9.199 ( 0.000 0.000 0.122) 0.122 9.202 ( 0.000 0.000 0.709) 0.709 9.222 ( 0.000 0.000 -5.386) 5.386 9.243 ( 0.000 0.000 -2.261) 2.261 10.180 ( 0.000 0.000 4.425) 4.425 10.289 ( 0.000 0.000 -6.498) 6.498 10.417 ( 0.000 0.000 3.581) 3.581 10.546 ( 0.000 0.000 -7.522) 7.522 10.759 ( 0.000 0.000 1.746) 1.746 10.837 ( 0.000 0.000 -4.569) 4.569 11.167 ( 0.000 0.000 -0.226) 0.226 11.211 ( 0.000 0.000 8.165) 8.165 11.272 ( 0.000 0.000 -8.609) 8.609 11.318 ( 0.000 0.000 5.900) 5.900 11.382 ( 0.000 0.000 -7.386) 7.386 11.420 ( 0.000 0.000 -2.927) 2.927 11.540 ( 0.000 0.000 -0.636) 0.636 11.545 ( 0.000 0.000 -0.914) 0.914 13.059 ( 0.000 0.000 3.274) 3.274 13.062 ( 0.000 0.000 2.981) 2.981 13.105 ( 0.000 0.000 -0.187) 0.187 13.118 ( 0.000 0.000 -1.442) 1.442 13.587 ( 0.000 0.000 9.574) 9.574 13.709 ( 0.000 0.000 -2.861) 2.861 13.962 ( 0.000 0.000 13.405) 13.405 14.295 ( 0.000 0.000 -16.997) 16.997 14.363 ( 0.000 0.000 4.962) 4.962 14.371 ( 0.000 0.000 10.888) 10.888 14.460 ( 0.000 0.000 -4.367) 4.367 14.629 ( 0.000 0.000 -14.873) 14.873 15.204 ( 0.000 0.000 0.107) 0.107 15.233 ( 0.000 0.000 -1.708) 1.708 15.973 ( 0.000 0.000 11.880) 11.880 16.191 ( 0.000 0.000 10.710) 10.710 16.230 ( 0.000 0.000 -12.141) 12.141 16.418 ( 0.000 0.000 -10.639) 10.639 17.511 ( 0.000 0.000 1.682) 1.682 17.539 ( 0.000 0.000 -1.267) 1.267 17.876 ( 0.000 0.000 6.781) 6.781 17.996 ( 0.000 0.000 -4.707) 4.707 18.422 ( 0.000 0.000 4.343) 4.343 18.471 ( 0.000 0.000 -0.287) 0.287 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 4.845 0.000 18.201) 18.834 1.805 ( -3.947 0.000 -3.432) 5.231 1.825 ( 0.273 0.000 23.814) 23.815 2.078 ( -2.443 0.000 1.800) 3.034 2.141 ( -7.843 0.000 6.672) 10.297 2.266 ( -6.605 0.000 -10.996) 12.827 2.301 ( -6.122 0.000 -10.677) 12.307 2.448 ( -8.315 0.000 -8.858) 12.149 2.500 ( -0.438 0.000 2.829) 2.862 2.515 ( -1.668 0.000 2.375) 2.903 2.746 ( 7.082 0.000 7.594) 10.383 2.762 ( 5.300 0.000 0.217) 5.305 2.823 ( 4.804 0.000 -4.089) 6.308 2.938 ( 7.277 0.000 -10.227) 12.552 2.996 ( 4.527 0.000 9.157) 10.215 3.030 ( -3.642 0.000 4.727) 5.967 3.134 ( -3.292 0.000 -4.505) 5.579 3.155 ( -2.218 0.000 -7.401) 7.726 3.266 ( 9.818 0.000 9.946) 13.975 3.354 ( 5.391 0.000 -3.084) 6.211 3.404 ( 9.887 0.000 9.966) 14.038 3.680 ( 5.362 0.000 -2.075) 5.749 3.845 ( -9.763 0.000 -2.467) 10.070 3.930 ( -3.758 0.000 -10.838) 11.471 3.972 ( -0.550 0.000 6.482) 6.506 4.056 ( 1.226 0.000 -0.327) 1.269 4.067 ( -2.998 0.000 4.425) 5.345 4.173 ( 1.917 0.000 2.320) 3.009 4.176 ( -1.550 0.000 -5.553) 5.765 4.217 ( 2.916 0.000 -4.413) 5.289 4.339 ( -12.478 0.000 13.104) 18.095 4.526 ( -5.790 0.000 -4.421) 7.284 4.554 ( 3.160 0.000 0.988) 3.311 4.565 ( 3.169 0.000 0.027) 3.169 4.795 ( -0.647 0.000 2.225) 2.317 4.854 ( 1.342 0.000 3.707) 3.942 4.855 ( -2.099 0.000 -3.287) 3.900 4.903 ( -0.539 0.000 -0.474) 0.717 4.939 ( 0.521 0.000 -3.554) 3.592 4.967 ( -1.384 0.000 -5.899) 6.059 5.452 ( 2.469 0.000 1.339) 2.808 5.468 ( 1.712 0.000 0.329) 1.743 5.610 ( 4.790 0.000 6.093) 7.751 5.701 ( 0.662 0.000 2.017) 2.123 5.734 ( 0.703 0.000 -0.739) 1.020 5.740 ( 2.463 0.000 -4.264) 4.924 5.930 ( 1.980 0.000 4.975) 5.354 6.101 ( -3.009 0.000 -9.206) 9.685 6.791 ( -1.416 0.000 7.459) 7.593 6.876 ( -3.543 0.000 -0.144) 3.545 7.109 ( 0.875 0.000 2.610) 2.753 7.165 ( -1.367 0.000 0.765) 1.567 7.211 ( 1.342 0.000 -4.700) 4.888 7.249 ( -0.264 0.000 -5.712) 5.719 7.454 ( -0.378 0.000 6.829) 6.839 7.621 ( -6.198 0.000 -9.433) 11.287 7.810 ( 8.933 0.000 13.161) 15.906 8.055 ( 5.321 0.000 1.607) 5.559 8.115 ( 5.365 0.000 -11.666) 12.841 8.132 ( 3.605 0.000 -4.913) 6.094 8.423 ( -9.322 0.000 4.309) 10.270 8.492 ( -10.178 0.000 -1.380) 10.271 8.553 ( -7.583 0.000 6.904) 10.255 8.755 ( -3.155 0.000 -9.162) 9.690 9.013 ( 3.923 0.000 3.563) 5.299 9.070 ( 0.837 0.000 -2.061) 2.225 9.204 ( -0.566 0.000 2.141) 2.215 9.230 ( -2.141 0.000 -0.157) 2.147 9.233 ( 5.355 0.000 4.978) 7.311 9.339 ( 5.496 0.000 -3.592) 6.566 10.108 ( -4.220 0.000 4.006) 5.819 10.239 ( -5.225 0.000 -8.613) 10.074 10.477 ( 6.840 0.000 8.368) 10.808 10.672 ( 10.119 0.000 -9.074) 13.592 10.767 ( 1.463 0.000 1.547) 2.129 10.842 ( 0.197 0.000 -5.873) 5.876 11.031 ( -13.331 0.000 10.865) 17.198 11.150 ( -1.006 0.000 0.294) 1.048 11.229 ( -10.638 0.000 -6.561) 12.498 11.234 ( -3.304 0.000 -6.915) 7.664 11.376 ( 1.475 0.000 0.277) 1.500 11.419 ( -0.350 0.000 -2.621) 2.644 11.558 ( 1.022 0.000 -0.627) 1.199 11.564 ( 0.896 0.000 -1.260) 1.546 13.135 ( 3.100 0.000 1.513) 3.450 13.144 ( 7.208 0.000 5.156) 8.862 13.169 ( 2.929 0.000 -1.573) 3.324 13.194 ( 10.475 0.000 0.245) 10.477 13.528 ( -4.911 0.000 9.131) 10.368 13.657 ( -5.104 0.000 -3.482) 6.178 14.015 ( 4.677 0.000 12.602) 13.442 14.259 ( -4.649 0.000 3.591) 5.875 14.368 ( 0.605 0.000 3.401) 3.454 14.374 ( 2.127 0.000 -9.474) 9.710 14.438 ( -1.932 0.000 -3.348) 3.865 14.573 ( -4.940 0.000 -15.880) 16.631 15.198 ( 0.256 0.000 2.207) 2.222 15.237 ( -0.276 0.000 -1.050) 1.086 15.967 ( -0.129 0.000 8.306) 8.307 16.058 ( -5.239 0.000 1.823) 5.547 16.420 ( 9.412 0.000 -3.804) 10.152 16.483 ( 4.880 0.000 -7.775) 9.180 17.461 ( -3.688 0.000 1.023) 3.827 17.479 ( -4.451 0.000 -0.896) 4.540 17.923 ( 3.465 0.000 5.070) 6.141 18.002 ( 0.118 0.000 -2.380) 2.383 18.432 ( 0.861 0.000 3.577) 3.679 18.467 ( -0.436 0.000 0.335) 0.550 ======================= Grid point 137 (48/60) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -7.902 0.000 12.850) 15.085 1.666 ( 7.902 0.000 12.850) 15.085 1.920 ( -9.270 0.000 20.119) 22.152 1.920 ( 9.270 0.000 20.119) 22.152 2.124 ( -5.813 0.000 -10.976) 12.421 2.124 ( 5.813 0.000 -10.976) 12.421 2.307 ( -4.427 0.000 -16.246) 16.838 2.307 ( 4.427 0.000 -16.246) 16.838 2.497 ( -0.301 0.000 3.041) 3.056 2.497 ( 0.301 0.000 3.041) 3.056 2.851 ( -2.586 0.000 -0.998) 2.772 2.851 ( 2.586 0.000 -0.998) 2.772 2.906 ( -7.278 0.000 6.952) 10.064 2.906 ( 7.278 0.000 6.952) 10.064 3.051 ( -3.793 0.000 -0.714) 3.860 3.051 ( 3.793 0.000 -0.714) 3.860 3.080 ( -5.175 0.000 -8.670) 10.097 3.080 ( 5.175 0.000 -8.670) 10.097 3.444 ( -0.335 0.000 -2.059) 2.086 3.444 ( 0.335 0.000 -2.059) 2.086 3.630 ( -8.853 0.000 11.777) 14.733 3.630 ( 8.853 0.000 11.777) 14.733 3.808 ( -12.070 0.000 5.193) 13.139 3.808 ( 12.070 0.000 5.193) 13.139 3.993 ( -2.585 0.000 6.847) 7.319 3.993 ( 2.585 0.000 6.847) 7.319 4.118 ( -3.508 0.000 -5.160) 6.239 4.118 ( 3.508 0.000 -5.160) 6.239 4.149 ( -4.403 0.000 -0.061) 4.403 4.149 ( 4.403 0.000 -0.061) 4.403 4.370 ( -6.977 0.000 -6.920) 9.827 4.370 ( 6.977 0.000 -6.920) 9.827 4.600 ( -0.479 0.000 2.156) 2.209 4.600 ( 0.479 0.000 2.156) 2.209 4.808 ( -1.974 0.000 -1.426) 2.435 4.808 ( 1.974 0.000 -1.426) 2.435 4.887 ( -1.136 0.000 0.365) 1.194 4.887 ( 1.136 0.000 0.365) 1.194 4.946 ( -0.428 0.000 -4.702) 4.722 4.946 ( 0.428 0.000 -4.702) 4.722 5.485 ( -0.397 0.000 0.565) 0.690 5.485 ( 0.397 0.000 0.565) 0.690 5.718 ( -4.346 0.000 5.379) 6.915 5.718 ( 4.346 0.000 5.379) 6.915 5.727 ( -1.269 0.000 1.423) 1.906 5.727 ( 1.269 0.000 1.423) 1.906 6.014 ( -5.091 0.000 -5.983) 7.856 6.014 ( 5.091 0.000 -5.983) 7.856 6.800 ( -2.643 0.000 1.863) 3.233 6.800 ( 2.643 0.000 1.863) 3.233 7.134 ( -1.443 0.000 1.891) 2.379 7.134 ( 1.443 0.000 1.891) 2.379 7.236 ( -0.973 0.000 -5.114) 5.206 7.236 ( 0.973 0.000 -5.114) 5.206 7.494 ( -4.583 0.000 -1.886) 4.955 7.494 ( 4.583 0.000 -1.886) 4.955 8.051 ( -11.910 0.000 12.808) 17.489 8.051 ( 11.910 0.000 12.808) 17.489 8.200 ( -5.795 0.000 -0.256) 5.801 8.200 ( 5.795 0.000 -0.256) 5.801 8.286 ( -5.832 0.000 -1.087) 5.933 8.286 ( 5.832 0.000 -1.087) 5.933 8.575 ( -10.185 0.000 -12.511) 16.133 8.575 ( 10.185 0.000 -12.511) 16.133 9.132 ( -5.915 0.000 2.099) 6.277 9.132 ( 5.915 0.000 2.099) 6.277 9.155 ( -5.060 0.000 -0.177) 5.063 9.155 ( 5.060 0.000 -0.177) 5.063 9.353 ( -4.252 0.000 4.588) 6.255 9.353 ( 4.252 0.000 4.588) 6.255 10.112 ( -4.950 0.000 -4.847) 6.928 10.112 ( 4.950 0.000 -4.847) 6.928 10.693 ( -12.486 0.000 11.248) 16.805 10.693 ( 12.486 0.000 11.248) 16.805 10.819 ( -2.634 0.000 -2.944) 3.950 10.819 ( 2.634 0.000 -2.944) 3.950 10.970 ( -12.399 0.000 -9.021) 15.334 10.970 ( 12.399 0.000 -9.021) 15.334 11.163 ( -2.633 0.000 -2.512) 3.639 11.163 ( 2.633 0.000 -2.512) 3.639 11.404 ( -1.101 0.000 -1.036) 1.512 11.404 ( 1.101 0.000 -1.036) 1.512 11.570 ( -0.194 0.000 -1.067) 1.084 11.570 ( 0.194 0.000 -1.067) 1.084 13.191 ( -1.245 0.000 0.690) 1.424 13.191 ( 1.245 0.000 0.690) 1.424 13.297 ( -5.053 0.000 6.397) 8.152 13.297 ( 5.053 0.000 6.397) 8.152 13.512 ( -7.012 0.000 -1.667) 7.207 13.512 ( 7.012 0.000 -1.667) 7.207 14.134 ( -6.477 0.000 11.113) 12.863 14.134 ( 6.477 0.000 11.113) 12.863 14.394 ( -1.960 0.000 -0.285) 1.980 14.394 ( 1.960 0.000 -0.285) 1.980 14.458 ( -5.452 0.000 -16.136) 17.032 14.458 ( 5.452 0.000 -16.136) 17.032 15.218 ( -1.336 0.000 1.642) 2.117 15.218 ( 1.336 0.000 1.642) 2.117 15.985 ( -2.079 0.000 3.724) 4.265 15.985 ( 2.079 0.000 3.724) 4.265 16.539 ( -1.165 0.000 -4.958) 5.093 16.539 ( 1.165 0.000 -4.958) 5.093 17.417 ( -0.455 0.000 -0.186) 0.491 17.417 ( 0.455 0.000 -0.186) 0.491 17.984 ( -2.025 0.000 1.720) 2.657 17.984 ( 2.025 0.000 1.720) 2.657 18.452 ( -0.939 0.000 1.883) 2.104 18.452 ( 0.939 0.000 1.883) 2.104 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 0.000 19.009 15.565) 24.568 1.859 ( 0.000 2.882 18.659) 18.881 2.030 ( 0.000 14.620 -8.662) 16.993 2.221 ( 0.000 2.925 -8.013) 8.530 2.271 ( 0.000 9.088 8.155) 12.210 2.402 ( 0.000 4.743 -3.693) 6.011 2.468 ( 0.000 -1.205 8.212) 8.300 2.492 ( 0.000 1.960 1.683) 2.583 2.540 ( 0.000 2.312 0.091) 2.314 2.597 ( 0.000 2.640 3.179) 4.132 2.671 ( 0.000 -2.171 -8.906) 9.167 2.691 ( 0.000 -0.803 -7.738) 7.780 2.768 ( 0.000 4.985 -0.667) 5.029 2.802 ( 0.000 2.711 10.150) 10.506 2.954 ( 0.000 3.859 3.778) 5.401 3.094 ( 0.000 2.961 3.086) 4.277 3.181 ( 0.000 0.725 -8.671) 8.701 3.196 ( 0.000 2.090 -0.267) 2.107 3.235 ( 0.000 1.925 4.476) 4.872 3.251 ( 0.000 0.951 2.589) 2.758 3.344 ( 0.000 3.093 -0.240) 3.102 3.569 ( 0.000 -1.793 -9.121) 9.296 3.965 ( 0.000 -4.441 -1.935) 4.845 3.970 ( 0.000 -6.836 0.847) 6.889 3.979 ( 0.000 -4.276 0.040) 4.276 3.998 ( 0.000 -2.590 0.520) 2.642 4.039 ( 0.000 -3.830 -0.149) 3.833 4.062 ( 0.000 3.900 -5.431) 6.686 4.245 ( 0.000 5.636 4.269) 7.070 4.328 ( 0.000 6.002 -3.836) 7.123 4.531 ( 0.000 0.065 3.078) 3.079 4.544 ( 0.000 0.151 2.307) 2.312 4.691 ( 0.000 -2.250 4.086) 4.665 4.760 ( 0.000 9.759 -2.539) 10.084 4.833 ( 0.000 19.589 2.156) 19.707 4.865 ( 0.000 7.988 -0.862) 8.034 4.921 ( 0.000 2.381 -0.778) 2.505 4.927 ( 0.000 1.864 -1.278) 2.260 5.043 ( 0.000 13.002 1.488) 13.087 5.079 ( 0.000 12.767 -1.101) 12.814 5.444 ( 0.000 2.449 0.101) 2.451 5.459 ( 0.000 3.409 -0.154) 3.412 5.655 ( 0.000 9.911 5.778) 11.472 5.788 ( 0.000 10.478 -1.411) 10.572 5.792 ( 0.000 8.075 -0.190) 8.077 5.798 ( 0.000 9.408 -6.737) 11.571 5.950 ( 0.000 2.076 9.277) 9.507 6.145 ( 0.000 0.277 -9.351) 9.355 6.908 ( 0.000 -0.863 4.828) 4.904 6.958 ( 0.000 12.756 2.924) 13.087 7.113 ( 0.000 -0.655 0.781) 1.019 7.148 ( 0.000 -2.301 -2.707) 3.553 7.192 ( 0.000 3.774 0.341) 3.789 7.230 ( 0.000 -1.316 -4.518) 4.705 7.625 ( 0.000 12.651 7.606) 14.761 7.731 ( 0.000 4.461 -5.612) 7.169 7.794 ( 0.000 6.243 5.496) 8.317 8.039 ( 0.000 4.738 5.102) 6.963 8.089 ( 0.000 3.315 -16.970) 17.291 8.191 ( 0.000 9.578 -8.290) 12.667 8.522 ( 0.000 -1.273 6.653) 6.773 8.637 ( 0.000 3.973 -2.267) 4.575 8.744 ( 0.000 8.618 6.444) 10.761 8.843 ( 0.000 8.463 -1.623) 8.617 8.985 ( 0.000 -1.232 3.823) 4.017 9.016 ( 0.000 -4.600 -2.640) 5.303 9.269 ( 0.000 7.176 4.715) 8.586 9.322 ( 0.000 16.626 0.321) 16.629 9.424 ( 0.000 15.765 -0.405) 15.771 9.482 ( 0.000 16.784 -6.724) 18.081 10.136 ( 0.000 -0.824 6.189) 6.244 10.271 ( 0.000 3.264 -6.703) 7.455 10.602 ( 0.000 14.300 4.133) 14.886 10.684 ( 0.000 11.107 -3.556) 11.662 10.751 ( 0.000 0.118 1.629) 1.633 10.834 ( 0.000 -0.374 -6.081) 6.093 11.071 ( 0.000 -4.697 2.384) 5.267 11.230 ( 0.000 -2.262 -12.109) 12.319 11.305 ( 0.000 5.694 7.806) 9.662 11.421 ( 0.000 9.606 7.333) 12.086 11.460 ( 0.000 6.094 -7.003) 9.284 11.541 ( 0.000 11.209 -4.668) 12.142 11.580 ( 0.000 4.669 1.072) 4.790 11.621 ( 0.000 7.748 -2.693) 8.203 12.980 ( 0.000 -4.080 3.813) 5.584 13.012 ( 0.000 -4.082 1.380) 4.309 13.170 ( 0.000 5.719 2.250) 6.145 13.231 ( 0.000 6.845 -2.597) 7.321 13.531 ( 0.000 -5.260 7.032) 8.781 13.629 ( 0.000 -7.843 -2.599) 8.262 13.942 ( 0.000 -1.855 13.225) 13.354 14.211 ( 0.000 -9.632 3.449) 10.231 14.224 ( 0.000 -7.720 -4.392) 8.882 14.300 ( 0.000 -3.243 -13.295) 13.685 14.643 ( 0.000 11.730 3.567) 12.260 14.768 ( 0.000 11.253 -9.167) 14.514 15.170 ( 0.000 -3.437 0.085) 3.438 15.205 ( 0.000 -2.831 -2.297) 3.646 15.926 ( 0.000 -4.590 11.784) 12.647 16.170 ( 0.000 -1.794 9.370) 9.540 16.176 ( 0.000 -5.342 -11.602) 12.772 16.382 ( 0.000 -3.435 -10.408) 10.960 17.459 ( 0.000 -5.555 0.608) 5.588 17.473 ( 0.000 -6.858 -0.900) 6.917 17.834 ( 0.000 -3.645 7.669) 8.491 17.960 ( 0.000 -3.116 -4.458) 5.439 18.394 ( 0.000 -2.801 4.186) 5.036 18.437 ( 0.000 -3.335 0.130) 3.337 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.25 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 3.691 16.124 15.652) 22.772 1.863 ( 1.536 6.026 19.965) 20.911 2.005 ( -3.245 15.020 -2.815) 15.623 2.166 ( -7.213 3.500 5.647) 9.806 2.196 ( -3.216 9.318 1.862) 10.032 2.297 ( -8.471 2.177 -7.542) 11.548 2.369 ( -4.214 5.183 -9.520) 11.630 2.422 ( -6.912 -1.687 -5.699) 9.116 2.508 ( -0.482 0.996 0.326) 1.154 2.527 ( -1.098 2.300 0.673) 2.636 2.756 ( 4.706 0.518 0.109) 4.736 2.793 ( 5.906 2.619 3.059) 7.148 2.817 ( 3.776 1.358 -1.658) 4.342 2.907 ( 5.606 -0.143 -0.959) 5.689 3.030 ( 0.456 1.799 1.750) 2.550 3.096 ( 1.230 3.557 1.870) 4.202 3.134 ( -2.124 1.713 -2.496) 3.698 3.198 ( -1.424 4.436 -5.568) 7.260 3.273 ( 8.769 0.835 10.219) 13.491 3.378 ( 6.611 1.861 -2.596) 7.342 3.421 ( 9.200 1.973 8.872) 12.933 3.655 ( 4.858 -2.016 -1.970) 5.617 3.806 ( -8.468 -3.997 -0.850) 9.402 3.873 ( -4.086 -3.778 -8.459) 10.126 3.973 ( -1.276 -2.287 2.669) 3.739 4.003 ( -1.535 -4.271 0.077) 4.539 4.098 ( 3.879 -1.240 2.093) 4.579 4.161 ( 4.100 0.628 -5.645) 7.005 4.227 ( -2.050 4.950 4.107) 6.751 4.293 ( -4.794 0.737 4.264) 6.458 4.331 ( -10.792 1.931 2.976) 11.360 4.477 ( -6.948 -2.761 -3.658) 8.323 4.747 ( 3.568 2.698 2.426) 5.089 4.795 ( 2.747 7.241 -2.036) 8.008 4.835 ( 0.398 16.535 2.255) 16.693 4.894 ( -0.138 6.255 -3.296) 7.072 4.922 ( 0.679 5.341 0.269) 5.391 4.962 ( 2.964 7.111 -0.159) 7.705 5.001 ( -2.257 13.725 -0.581) 13.921 5.071 ( -1.540 12.254 -4.006) 12.984 5.460 ( 2.022 2.319 1.854) 3.592 5.486 ( 1.436 2.961 -0.027) 3.290 5.710 ( 4.588 9.734 6.122) 12.380 5.781 ( 0.524 8.571 1.523) 8.721 5.805 ( 0.434 7.890 -0.064) 7.902 5.841 ( 1.713 9.238 -3.900) 10.173 5.958 ( 1.789 2.197 4.095) 4.980 6.118 ( -2.630 0.883 -8.626) 9.061 6.841 ( -3.002 2.111 4.918) 6.137 6.936 ( -4.204 6.231 -2.729) 7.997 7.112 ( 0.741 0.902 1.412) 1.832 7.142 ( -0.607 -2.110 -1.226) 2.514 7.224 ( 2.021 2.088 -2.087) 3.578 7.250 ( 1.288 2.075 -4.050) 4.729 7.586 ( -1.634 11.452 4.860) 12.548 7.708 ( -4.556 7.184 -6.726) 10.844 7.869 ( 8.515 5.538 12.336) 15.980 8.084 ( 4.648 3.000 2.602) 6.113 8.102 ( 0.668 1.669 -5.155) 5.460 8.239 ( 3.855 7.238 -9.124) 12.267 8.458 ( -4.830 2.470 1.459) 5.618 8.513 ( -8.316 5.059 -3.374) 10.302 8.604 ( -9.375 5.677 9.440) 14.465 8.818 ( -4.472 5.758 -8.919) 11.520 9.094 ( 7.280 -1.823 4.100) 8.552 9.136 ( 8.443 4.960 1.863) 9.968 9.285 ( 1.363 12.342 1.143) 12.470 9.309 ( -0.202 16.095 -0.617) 16.108 9.448 ( 1.723 14.322 1.776) 14.534 9.498 ( 0.015 17.198 -2.834) 17.430 10.106 ( -1.976 0.611 3.822) 4.346 10.228 ( -4.350 1.917 -7.401) 8.796 10.600 ( 1.495 8.911 6.267) 10.996 10.711 ( 2.547 3.081 -4.093) 5.721 10.794 ( 3.916 3.906 -0.534) 5.557 10.831 ( -0.470 0.738 -4.665) 4.746 11.067 ( -0.809 -1.175 2.230) 2.647 11.167 ( -7.412 4.891 7.309) 11.501 11.201 ( -4.355 2.359 -7.333) 8.849 11.364 ( -8.225 10.085 -7.286) 14.915 11.464 ( 3.014 7.473 2.063) 8.318 11.536 ( 0.304 10.485 -4.073) 11.252 11.590 ( 0.134 3.939 0.748) 4.011 11.626 ( -0.364 6.729 -2.581) 7.216 13.052 ( 5.641 -5.073 4.364) 8.752 13.100 ( 6.926 -4.073 0.022) 8.035 13.205 ( 3.398 3.573 5.460) 7.357 13.300 ( 5.326 6.451 -2.699) 8.790 13.473 ( -4.923 -5.143 6.511) 9.648 13.590 ( -4.069 -6.353 -4.252) 8.660 13.965 ( 2.306 -4.452 12.310) 13.292 14.149 ( -5.081 -9.572 5.554) 12.177 14.230 ( 0.493 -7.944 -5.553) 9.705 14.281 ( -1.588 -4.778 -11.563) 12.612 14.647 ( 0.643 12.646 -0.059) 12.663 14.736 ( -2.745 12.126 -8.995) 15.345 15.170 ( 0.569 -2.794 1.901) 3.427 15.209 ( -0.133 -2.721 -1.283) 3.011 15.929 ( 0.499 -3.753 8.442) 9.252 16.032 ( -5.078 -2.557 0.749) 5.734 16.361 ( 8.543 -5.515 -3.208) 10.662 16.434 ( 3.811 -4.780 -7.944) 10.024 17.412 ( -3.470 -5.190 0.381) 6.254 17.422 ( -3.783 -5.849 -0.778) 7.009 17.882 ( 3.600 -3.688 5.758) 7.728 17.966 ( 0.090 -3.228 -2.197) 3.906 18.402 ( 0.702 -2.991 3.511) 4.666 18.433 ( -0.434 -3.350 0.644) 3.439 ======================= Grid point 142 (51/60) ======================= q-point: (-0.50 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -7.466 13.817 11.912) 19.712 1.876 ( 7.466 13.817 11.912) 19.712 1.963 ( -8.194 7.372 16.840) 20.126 1.963 ( 8.194 7.372 16.840) 20.126 2.208 ( -2.969 6.030 -9.471) 11.614 2.208 ( 2.969 6.030 -9.471) 11.614 2.321 ( -1.475 1.884 -13.004) 13.222 2.321 ( 1.475 1.884 -13.004) 13.222 2.511 ( -0.509 1.775 1.254) 2.232 2.511 ( 0.509 1.775 1.254) 2.232 2.829 ( -1.917 -0.712 -1.153) 2.347 2.829 ( 1.917 -0.712 -1.153) 2.347 2.928 ( -5.339 1.158 4.480) 7.065 2.928 ( 5.339 1.158 4.480) 7.065 3.038 ( -4.470 1.581 -3.014) 5.618 3.038 ( 4.470 1.581 -3.014) 5.618 3.161 ( -2.463 5.204 -3.113) 6.545 3.161 ( 2.463 5.204 -3.113) 6.545 3.455 ( -2.121 0.132 -1.055) 2.373 3.455 ( 2.121 0.132 -1.055) 2.373 3.621 ( -4.544 0.264 9.690) 10.706 3.621 ( 4.544 0.264 9.690) 10.706 3.770 ( -10.433 -2.442 3.529) 11.281 3.770 ( 10.433 -2.442 3.529) 11.281 3.979 ( -0.886 -3.901 2.909) 4.946 3.979 ( 0.886 -3.901 2.909) 4.946 4.108 ( -4.379 -1.505 0.771) 4.694 4.108 ( 4.379 -1.505 0.770) 4.694 4.227 ( -1.721 5.454 -0.113) 5.721 4.227 ( 1.721 5.454 -0.113) 5.721 4.323 ( -6.145 -2.562 -6.661) 9.418 4.323 ( 6.145 -2.562 -6.661) 9.418 4.807 ( -2.105 6.108 1.845) 6.719 4.807 ( 2.105 6.108 1.845) 6.719 4.864 ( -2.523 6.444 -3.155) 7.605 4.864 ( 2.523 6.444 -3.155) 7.605 4.951 ( -1.895 12.898 1.915) 13.176 4.951 ( 1.895 12.898 1.915) 13.176 5.029 ( -2.492 11.206 -4.360) 12.280 5.029 ( 2.492 11.206 -4.360) 12.280 5.496 ( -0.803 2.514 1.178) 2.890 5.496 ( 0.803 2.514 1.178) 2.890 5.794 ( -1.840 8.284 3.046) 9.016 5.794 ( 1.840 8.284 3.046) 9.016 5.815 ( -3.153 7.740 3.686) 9.135 5.815 ( 3.153 7.740 3.686) 9.135 6.040 ( -4.736 2.386 -6.134) 8.108 6.040 ( 4.736 2.386 -6.134) 8.108 6.841 ( -3.277 3.105 -0.725) 4.572 6.841 ( 3.277 3.105 -0.725) 4.572 7.127 ( -0.697 -0.769 -0.228) 1.062 7.127 ( 0.697 -0.769 -0.228) 1.062 7.257 ( -0.804 3.037 -3.086) 4.403 7.257 ( 0.804 3.037 -3.086) 4.403 7.604 ( -3.697 10.089 -0.769) 10.773 7.604 ( 3.697 10.089 -0.769) 10.773 8.075 ( -7.340 1.432 8.893) 11.620 8.075 ( 7.340 1.432 8.893) 11.620 8.205 ( -4.720 0.847 -1.670) 5.078 8.205 ( 4.720 0.847 -1.670) 5.078 8.370 ( -3.693 9.113 6.208) 11.629 8.370 ( 3.693 9.113 6.208) 11.629 8.642 ( -10.673 6.903 -13.945) 18.869 8.642 ( 10.673 6.903 -13.945) 18.869 9.216 ( -2.283 0.974 3.733) 4.483 9.216 ( 2.283 0.974 3.733) 4.483 9.313 ( -0.750 16.029 0.452) 16.053 9.313 ( 0.750 16.029 0.452) 16.053 9.472 ( -1.441 17.240 2.494) 17.479 9.472 ( 1.441 17.240 2.494) 17.479 10.121 ( -4.205 1.348 -5.093) 6.741 10.121 ( 4.205 1.348 -5.093) 6.741 10.702 ( -5.740 -1.760 2.955) 6.692 10.702 ( 5.740 -1.760 2.955) 6.692 10.828 ( -1.148 5.787 0.629) 5.934 10.828 ( 1.148 5.787 0.629) 5.934 11.063 ( -3.567 3.778 1.145) 5.321 11.063 ( 3.567 3.778 1.145) 5.321 11.199 ( -5.075 7.321 -7.865) 11.883 11.199 ( 5.075 7.321 -7.865) 11.883 11.522 ( -2.092 10.674 -0.740) 10.902 11.522 ( 2.092 10.674 -0.740) 10.902 11.603 ( -1.361 3.864 -1.640) 4.413 11.603 ( 1.361 3.864 -1.640) 4.413 13.157 ( -2.664 -3.343 3.234) 5.360 13.157 ( 2.664 -3.343 3.234) 5.360 13.314 ( -6.054 -0.084 7.150) 9.369 13.314 ( 6.054 -0.084 7.150) 9.369 13.468 ( -6.628 -2.758 -5.480) 9.031 13.468 ( 6.628 -2.758 -5.480) 9.031 14.039 ( -4.843 -8.305 9.071) 13.217 14.039 ( 4.843 -8.305 9.071) 13.217 14.248 ( -1.337 -7.121 -8.044) 10.826 14.248 ( 1.337 -7.121 -8.044) 10.826 14.678 ( -2.383 13.283 -5.850) 14.708 14.678 ( 2.383 13.283 -5.850) 14.708 15.193 ( -1.292 -2.435 1.407) 3.095 15.193 ( 1.292 -2.435 1.407) 3.095 15.957 ( -2.377 -2.723 3.528) 5.051 15.957 ( 2.377 -2.723 3.528) 5.051 16.473 ( -1.431 -6.360 -4.972) 8.199 16.473 ( 1.431 -6.360 -4.972) 8.199 17.370 ( -0.290 -4.823 -0.377) 4.846 17.370 ( 0.290 -4.823 -0.377) 4.846 17.946 ( -2.169 -3.451 2.056) 4.565 17.946 ( 2.169 -3.451 2.056) 4.565 18.419 ( -0.842 -3.273 1.990) 3.923 18.419 ( 0.842 -3.273 1.990) 3.923 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( 0.000 5.031 17.039) 17.766 2.028 ( 0.000 10.606 8.506) 13.595 2.250 ( 0.000 6.472 -2.338) 6.881 2.308 ( 0.000 5.326 -5.164) 7.418 2.378 ( 0.000 1.157 5.569) 5.688 2.420 ( 0.000 -1.193 3.141) 3.360 2.515 ( 0.000 5.442 -1.001) 5.534 2.570 ( 0.000 5.468 -1.570) 5.689 2.587 ( 0.000 2.025 -0.590) 2.109 2.605 ( 0.000 -2.277 -6.531) 6.917 2.736 ( 0.000 4.342 -1.174) 4.498 2.749 ( 0.000 7.885 0.023) 7.885 2.865 ( 0.000 7.377 1.791) 7.592 2.960 ( 0.000 6.430 -5.223) 8.284 2.973 ( 0.000 1.423 7.237) 7.375 3.107 ( 0.000 -1.791 -5.637) 5.915 3.266 ( 0.000 6.674 14.188) 15.680 3.267 ( 0.000 3.946 5.050) 6.409 3.298 ( 0.000 6.614 1.548) 6.793 3.336 ( 0.000 6.169 -3.905) 7.301 3.396 ( 0.000 2.660 -3.941) 4.755 3.490 ( 0.000 -6.091 -4.805) 7.759 3.777 ( 0.000 -11.111 1.998) 11.289 3.812 ( 0.000 -9.828 -1.398) 9.927 3.935 ( 0.000 -5.079 2.249) 5.555 3.969 ( 0.000 1.089 -0.877) 1.398 4.008 ( 0.000 1.446 0.494) 1.528 4.093 ( 0.000 -1.291 -6.715) 6.838 4.326 ( 0.000 -3.188 -1.557) 3.548 4.328 ( 0.000 5.359 -2.089) 5.752 4.529 ( 0.000 -0.390 2.833) 2.860 4.529 ( 0.000 0.000 1.515) 1.515 4.644 ( 0.000 -1.281 5.770) 5.911 4.751 ( 0.000 -2.504 -2.776) 3.738 4.933 ( 0.000 1.865 -2.465) 3.091 4.944 ( 0.000 0.998 -3.098) 3.255 5.189 ( 0.000 11.094 3.488) 11.629 5.226 ( 0.000 12.761 0.586) 12.775 5.325 ( 0.000 11.665 1.783) 11.801 5.357 ( 0.000 10.356 -1.002) 10.404 5.567 ( 0.000 8.738 0.803) 8.775 5.571 ( 0.000 6.270 0.665) 6.305 5.859 ( 0.000 0.042 8.606) 8.606 6.014 ( 0.000 1.602 -3.475) 3.826 6.053 ( 0.000 20.877 0.054) 20.878 6.116 ( 0.000 21.139 -9.404) 23.137 6.125 ( 0.000 23.951 5.932) 24.675 6.221 ( 0.000 19.998 -3.219) 20.256 6.884 ( 0.000 -1.150 7.951) 8.034 7.066 ( 0.000 -1.244 -7.876) 7.974 7.074 ( 0.000 -2.390 0.732) 2.500 7.139 ( 0.000 -2.147 -6.367) 6.719 7.320 ( 0.000 6.845 0.729) 6.884 7.344 ( 0.000 11.598 -1.580) 11.705 7.819 ( 0.000 4.402 0.479) 4.428 7.870 ( 0.000 11.506 -3.611) 12.059 7.944 ( 0.000 6.883 4.256) 8.092 8.121 ( 0.000 -0.312 -10.151) 10.155 8.237 ( 0.000 14.776 10.822) 18.315 8.443 ( 0.000 13.591 -6.866) 15.227 8.516 ( 0.000 1.415 8.452) 8.570 8.731 ( 0.000 2.790 -12.294) 12.607 8.955 ( 0.000 2.154 4.326) 4.832 8.957 ( 0.000 0.237 -0.634) 0.677 9.015 ( 0.000 18.409 4.735) 19.008 9.031 ( 0.000 6.968 0.759) 7.009 9.437 ( 0.000 9.356 8.287) 12.498 9.646 ( 0.000 8.042 -11.427) 13.973 9.823 ( 0.000 23.778 0.904) 23.795 9.843 ( 0.000 25.083 -1.288) 25.116 10.255 ( 0.000 10.979 9.622) 14.599 10.447 ( 0.000 12.518 -6.960) 14.323 10.744 ( 0.000 1.844 2.453) 3.069 10.800 ( 0.000 -3.039 -2.884) 4.189 10.924 ( 0.000 16.087 10.460) 19.189 10.977 ( 0.000 15.421 2.240) 15.582 11.067 ( 0.000 6.229 -4.317) 7.579 11.230 ( 0.000 4.038 -16.211) 16.706 11.417 ( 0.000 6.258 5.429) 8.285 11.539 ( 0.000 2.838 -5.017) 5.764 11.693 ( 0.000 15.708 7.362) 17.347 11.778 ( 0.000 16.370 2.550) 16.568 11.814 ( 0.000 14.175 -5.004) 15.032 11.870 ( 0.000 18.976 -5.039) 19.633 12.913 ( 0.000 -5.643 1.751) 5.908 12.916 ( 0.000 -2.540 0.926) 2.703 13.284 ( 0.000 -5.249 5.842) 7.854 13.313 ( 0.000 6.826 5.360) 8.679 13.418 ( 0.000 -11.870 -4.000) 12.526 13.439 ( 0.000 -1.602 -2.640) 3.088 13.897 ( 0.000 -2.911 13.487) 13.797 14.033 ( 0.000 -6.901 -1.875) 7.151 14.035 ( 0.000 -10.705 -1.751) 10.847 14.234 ( 0.000 -3.643 -17.787) 18.156 14.878 ( 0.000 10.818 6.545) 12.644 15.010 ( 0.000 9.279 -6.874) 11.547 15.076 ( 0.000 -2.657 0.542) 2.711 15.128 ( 0.000 -4.122 -3.764) 5.582 15.805 ( 0.000 -7.064 11.352) 13.371 16.028 ( 0.000 -9.289 -9.706) 13.435 16.140 ( 0.000 -0.805 4.798) 4.865 16.294 ( 0.000 -5.134 -9.024) 10.382 17.263 ( 0.000 -14.082 -0.070) 14.082 17.279 ( 0.000 -12.571 -1.641) 12.678 17.769 ( 0.000 -2.153 9.012) 9.266 17.900 ( 0.000 -2.389 -3.733) 4.432 18.313 ( 0.000 -5.332 3.751) 6.520 18.342 ( 0.000 -6.245 1.085) 6.339 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 0.411 5.819 17.491) 18.438 2.093 ( 3.896 7.830 4.372) 9.778 2.191 ( -5.666 6.955 4.165) 9.891 2.314 ( 0.426 6.383 -2.706) 6.946 2.336 ( -4.271 2.743 1.450) 5.279 2.373 ( -4.547 5.770 -0.074) 7.347 2.392 ( -7.322 1.674 -2.331) 7.865 2.452 ( -4.313 2.401 -3.586) 6.101 2.555 ( -0.201 4.512 0.487) 4.543 2.611 ( -1.208 4.563 -4.107) 6.257 2.785 ( 3.980 2.408 1.093) 4.779 2.842 ( 2.531 2.191 -4.499) 5.608 2.908 ( 2.793 6.416 2.679) 7.493 2.962 ( -0.780 3.809 -1.002) 4.015 3.049 ( 6.238 0.630 0.807) 6.321 3.114 ( 1.112 1.151 -3.786) 4.110 3.254 ( -0.892 8.092 3.891) 9.023 3.294 ( 2.549 3.340 4.058) 5.841 3.309 ( -0.961 2.823 0.884) 3.110 3.417 ( 1.902 -0.520 -3.830) 4.307 3.463 ( 13.509 4.067 9.395) 16.950 3.581 ( 5.162 -5.131 -0.587) 7.302 3.707 ( -3.963 -5.063 1.325) 6.564 3.787 ( -1.047 -5.845 -4.760) 7.611 3.952 ( -2.113 -0.051 -0.573) 2.190 3.956 ( -3.498 1.740 -0.580) 3.950 4.001 ( 4.184 -7.146 3.898) 9.153 4.097 ( 1.060 -6.029 -4.677) 7.704 4.248 ( -12.011 -0.235 6.723) 13.766 4.298 ( -4.983 -3.537 -1.282) 6.243 4.399 ( -1.333 8.291 -0.428) 8.408 4.453 ( -3.993 1.369 -1.901) 4.629 4.753 ( 6.055 -0.341 2.969) 6.753 4.833 ( 4.416 -0.778 -4.406) 6.286 4.921 ( -1.718 1.989 -2.176) 3.412 4.939 ( -0.730 1.063 -3.482) 3.713 5.202 ( 1.810 10.534 3.184) 11.152 5.233 ( 0.775 12.795 0.525) 12.829 5.318 ( -0.726 10.798 1.549) 10.932 5.343 ( -1.386 9.509 -0.723) 9.637 5.573 ( 1.753 7.114 2.953) 7.900 5.611 ( 1.902 7.572 -0.214) 7.810 5.876 ( 1.197 -2.312 5.952) 6.497 5.970 ( -3.156 1.693 -2.360) 4.289 6.067 ( 1.607 23.319 1.845) 23.447 6.130 ( 0.375 24.484 3.405) 24.722 6.171 ( 3.526 19.049 -6.476) 20.426 6.221 ( 0.110 20.601 -3.108) 20.834 6.855 ( -1.415 0.050 5.833) 6.002 6.998 ( -5.085 0.148 -5.009) 7.139 7.087 ( 0.405 -2.564 -2.831) 3.841 7.126 ( -1.268 -1.509 -6.018) 6.333 7.325 ( 1.524 6.689 0.394) 6.872 7.381 ( 0.801 9.143 -4.755) 10.337 7.797 ( -1.020 6.970 0.919) 7.104 7.831 ( -2.627 4.795 -2.605) 6.056 7.991 ( 4.433 5.052 7.889) 10.363 8.126 ( 1.158 2.445 -3.323) 4.285 8.249 ( -2.489 11.526 7.106) 13.767 8.398 ( -2.806 8.461 -4.845) 10.146 8.526 ( -0.343 6.113 3.262) 6.937 8.642 ( -0.429 5.065 -5.945) 7.822 8.863 ( -6.104 19.001 4.421) 20.442 8.953 ( -0.390 6.629 -2.272) 7.019 9.082 ( 3.662 3.702 2.289) 5.688 9.152 ( 6.966 1.326 -1.623) 7.275 9.582 ( 9.924 12.880 8.652) 18.419 9.736 ( 3.227 19.027 -4.600) 19.839 9.829 ( 1.712 23.578 0.317) 23.642 9.859 ( 4.767 19.246 -4.591) 20.353 10.206 ( -3.991 10.775 5.954) 12.941 10.362 ( -7.961 10.384 -7.287) 14.977 10.696 ( -3.342 2.630 2.654) 5.013 10.754 ( -3.718 0.534 -4.690) 6.009 10.922 ( 1.049 9.549 5.312) 10.977 11.037 ( 3.341 18.688 2.403) 19.136 11.053 ( -1.170 1.999 -3.692) 4.358 11.199 ( -0.340 2.942 -4.902) 5.727 11.409 ( -2.563 11.580 2.360) 12.093 11.531 ( -2.221 5.921 -6.447) 9.031 11.681 ( 0.440 12.494 3.065) 12.872 11.699 ( -2.893 12.426 2.044) 12.921 11.850 ( 0.773 17.954 -2.990) 18.217 11.875 ( -0.245 20.007 -4.400) 20.486 12.944 ( 4.242 -5.944 4.737) 8.705 13.007 ( 6.474 -4.988 -1.223) 8.263 13.210 ( -3.976 -6.015 9.788) 12.157 13.329 ( -4.741 -9.768 3.716) 11.476 13.426 ( 4.538 5.047 -4.619) 8.210 13.477 ( 1.918 -2.059 -4.468) 5.281 13.864 ( -2.181 -5.784 11.070) 12.679 13.959 ( -5.408 -8.929 1.538) 10.552 14.062 ( 1.649 -7.849 -4.279) 9.091 14.186 ( -3.848 -4.800 -14.097) 15.381 14.887 ( 0.955 9.884 2.490) 10.238 14.971 ( -2.803 7.742 -6.039) 10.211 15.103 ( 2.139 -1.226 1.700) 2.995 15.147 ( 0.857 -1.686 -1.776) 2.594 15.828 ( 2.054 -6.001 8.153) 10.330 15.958 ( -4.118 -5.170 -3.084) 7.294 16.233 ( 5.683 -6.226 -1.253) 8.522 16.313 ( 1.317 -6.747 -7.379) 10.085 17.239 ( -1.752 -12.287 -0.221) 12.414 17.252 ( -2.094 -11.395 -1.621) 11.699 17.809 ( 3.227 -2.881 7.083) 8.300 17.900 ( -0.355 -2.833 -1.676) 3.311 18.316 ( 0.307 -5.605 3.313) 6.518 18.337 ( -0.428 -6.232 1.376) 6.397 ======================= Grid point 147 (54/60) ======================= q-point: (-0.50 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -7.851 4.912 12.736) 15.747 2.003 ( 7.851 4.912 12.736) 15.747 2.208 ( -5.387 7.127 0.074) 8.934 2.208 ( 5.387 7.127 0.074) 8.934 2.321 ( -1.276 7.557 -2.085) 7.943 2.321 ( 1.276 7.557 -2.085) 7.943 2.376 ( -2.870 2.995 -1.175) 4.311 2.376 ( 2.870 2.995 -1.175) 4.311 2.574 ( -1.798 4.213 -2.577) 5.256 2.574 ( 1.798 4.213 -2.577) 5.256 2.851 ( -1.881 2.579 -2.295) 3.931 2.851 ( 1.881 2.579 -2.295) 3.931 2.941 ( -1.010 0.119 0.065) 1.019 2.941 ( 1.010 0.119 0.065) 1.019 3.130 ( -0.489 6.672 -1.226) 6.801 3.130 ( 0.489 6.672 -1.226) 6.801 3.253 ( -2.218 3.782 1.896) 4.777 3.253 ( 2.218 3.782 1.896) 4.777 3.411 ( -4.113 -4.087 1.330) 5.948 3.411 ( 4.113 -4.087 1.330) 5.948 3.623 ( -2.426 -2.447 -0.197) 3.452 3.623 ( 2.426 -2.447 -0.197) 3.452 3.760 ( -9.051 0.331 4.756) 10.229 3.760 ( 9.051 0.331 4.756) 10.229 3.918 ( -2.186 2.181 1.141) 3.292 3.918 ( 2.186 2.181 1.141) 3.292 4.044 ( -2.352 -5.171 4.860) 7.476 4.044 ( 2.352 -5.171 4.860) 7.476 4.154 ( -5.648 -6.752 -2.246) 9.085 4.154 ( 5.648 -6.752 -2.246) 9.085 4.413 ( -1.240 7.345 -3.673) 8.305 4.413 ( 1.240 7.345 -3.673) 8.305 4.857 ( -4.078 1.373 0.071) 4.304 4.857 ( 4.078 1.373 0.071) 4.304 4.904 ( -2.583 0.783 -4.311) 5.086 4.904 ( 2.583 0.783 -4.311) 5.086 5.244 ( -0.860 12.207 1.384) 12.315 5.244 ( 0.860 12.207 1.384) 12.315 5.310 ( -0.952 8.456 0.421) 8.520 5.310 ( 0.952 8.456 0.421) 8.520 5.617 ( -1.535 7.090 2.557) 7.692 5.617 ( 1.535 7.090 2.557) 7.692 5.908 ( -2.390 -1.446 -0.149) 2.797 5.908 ( 2.390 -1.446 -0.149) 2.797 6.114 ( -2.062 24.485 4.415) 24.965 6.114 ( 2.062 24.485 4.415) 24.965 6.219 ( -0.787 20.117 -4.297) 20.586 6.219 ( 0.787 20.117 -4.297) 20.586 6.885 ( -4.560 1.162 -1.813) 5.042 6.885 ( 4.560 1.162 -1.813) 5.042 7.099 ( -0.977 -1.883 -4.208) 4.712 7.099 ( 0.977 -1.883 -4.208) 4.712 7.364 ( -1.808 6.516 -2.108) 7.083 7.364 ( 1.808 6.516 -2.108) 7.083 7.794 ( -1.064 5.815 -1.305) 6.054 7.794 ( 1.064 5.815 -1.305) 6.054 8.096 ( -5.100 1.488 6.549) 8.433 8.096 ( 5.100 1.488 6.549) 8.433 8.272 ( -6.750 6.299 -2.502) 9.565 8.272 ( 6.750 6.299 -2.502) 9.565 8.596 ( -7.178 11.278 7.934) 15.546 8.596 ( 7.178 11.278 7.934) 15.546 8.878 ( -6.335 17.297 -9.305) 20.637 8.878 ( 6.335 17.297 -9.305) 20.637 9.180 ( -4.078 -1.923 3.512) 5.716 9.180 ( 4.078 -1.923 3.512) 5.716 9.709 ( -3.326 21.375 2.478) 21.774 9.709 ( 3.326 21.375 2.478) 21.774 9.936 ( -4.482 24.652 0.994) 25.076 9.936 ( 4.482 24.652 0.994) 25.076 10.186 ( -6.057 5.371 -6.323) 10.272 10.186 ( 6.057 5.371 -6.323) 10.272 10.679 ( -2.351 1.368 -0.315) 2.738 10.679 ( 2.351 1.368 -0.315) 2.738 10.974 ( -3.603 6.002 -4.021) 8.073 10.974 ( 3.603 6.002 -4.021) 8.073 11.154 ( -5.415 9.162 7.708) 13.141 11.154 ( 5.415 9.162 7.708) 13.141 11.424 ( -5.627 12.454 -5.924) 14.895 11.424 ( 5.627 12.454 -5.924) 14.895 11.693 ( -0.287 9.125 1.485) 9.249 11.693 ( 0.287 9.125 1.485) 9.249 11.859 ( -0.715 20.402 -3.841) 20.773 11.859 ( 0.715 20.402 -3.841) 20.773 13.057 ( -5.029 -6.756 5.709) 10.174 13.057 ( 5.029 -6.756 5.709) 10.174 13.202 ( -6.153 -9.767 3.082) 11.948 13.202 ( 6.153 -9.767 3.082) 11.948 13.493 ( -1.190 3.205 -4.433) 5.599 13.493 ( 1.190 3.205 -4.433) 5.599 13.862 ( -2.780 -8.883 5.934) 11.039 13.862 ( 2.780 -8.883 5.934) 11.039 14.109 ( -3.118 -6.586 -7.947) 10.782 14.109 ( 3.118 -6.586 -7.947) 10.782 14.919 ( -2.073 8.437 -2.940) 9.172 14.919 ( 2.073 8.437 -2.940) 9.172 15.143 ( -1.282 -0.466 1.228) 1.835 15.143 ( 1.282 -0.466 1.228) 1.835 15.883 ( -3.173 -4.559 2.155) 5.958 15.883 ( 3.173 -4.559 2.155) 5.958 16.316 ( -1.807 -8.470 -4.380) 9.705 16.316 ( 1.807 -8.470 -4.380) 9.705 17.221 ( -0.419 -10.432 -1.058) 10.494 17.221 ( 0.419 -10.432 -1.058) 10.494 17.872 ( -2.419 -3.295 2.834) 4.974 17.872 ( 2.419 -3.295 2.834) 4.974 18.326 ( -0.593 -6.051 2.251) 6.483 18.326 ( 0.593 -6.051 2.251) 6.483 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 0.000 5.748 12.250) 13.532 2.171 ( 0.000 4.889 1.203) 5.035 2.345 ( 0.000 4.351 1.391) 4.568 2.359 ( 0.000 -1.712 5.456) 5.718 2.402 ( 0.000 -0.615 2.797) 2.864 2.406 ( 0.000 3.893 -0.570) 3.935 2.595 ( 0.000 1.137 0.421) 1.212 2.603 ( 0.000 2.232 -1.586) 2.738 2.651 ( 0.000 5.411 -0.994) 5.502 2.662 ( 0.000 3.187 -2.738) 4.202 2.849 ( 0.000 5.650 0.381) 5.663 2.858 ( 0.000 4.931 -0.780) 4.992 2.938 ( 0.000 -0.999 4.794) 4.897 2.996 ( 0.000 2.881 2.912) 4.096 3.046 ( 0.000 1.755 -2.227) 2.836 3.076 ( 0.000 0.064 -7.758) 7.759 3.254 ( 0.000 -7.233 3.728) 8.137 3.290 ( 0.000 -3.988 -0.879) 4.083 3.408 ( 0.000 1.309 4.189) 4.389 3.420 ( 0.000 1.002 0.555) 1.145 3.448 ( 0.000 4.313 -0.108) 4.315 3.528 ( 0.000 0.534 -4.777) 4.807 3.570 ( 0.000 -7.894 0.994) 7.956 3.627 ( 0.000 -5.023 -3.014) 5.858 3.883 ( 0.000 2.406 1.801) 3.005 3.915 ( 0.000 -5.189 -0.649) 5.230 4.028 ( 0.000 0.131 2.740) 2.743 4.105 ( 0.000 2.061 -5.045) 5.449 4.339 ( 0.000 6.893 5.594) 8.877 4.462 ( 0.000 5.368 -1.872) 5.685 4.549 ( 0.000 1.524 -0.057) 1.525 4.564 ( 0.000 5.395 -4.674) 7.138 4.639 ( 0.000 1.259 6.308) 6.433 4.716 ( 0.000 -0.578 -0.804) 0.990 4.970 ( 0.000 1.675 -2.773) 3.240 4.976 ( 0.000 2.211 -3.192) 3.883 5.339 ( 0.000 5.759 2.982) 6.485 5.384 ( 0.000 5.688 -0.403) 5.702 5.460 ( 0.000 2.738 1.428) 3.088 5.468 ( 0.000 1.836 1.260) 2.227 5.653 ( 0.000 1.958 1.861) 2.702 5.676 ( 0.000 2.169 -0.596) 2.249 5.748 ( 0.000 -8.173 5.794) 10.018 5.864 ( 0.000 -11.077 -4.938) 12.128 6.555 ( 0.000 23.501 5.706) 24.184 6.640 ( 0.000 24.406 2.383) 24.522 6.648 ( 0.000 26.838 -4.587) 27.227 6.704 ( 0.000 21.381 -2.867) 21.572 6.881 ( 0.000 2.219 7.871) 8.178 7.032 ( 0.000 -1.494 0.276) 1.519 7.045 ( 0.000 -0.196 -6.555) 6.558 7.092 ( 0.000 -1.422 -5.785) 5.957 7.416 ( 0.000 2.832 -0.398) 2.859 7.468 ( 0.000 1.589 -5.998) 6.205 7.880 ( 0.000 -0.007 6.022) 6.022 7.972 ( 0.000 -2.786 -0.468) 2.825 8.117 ( 0.000 3.358 -6.382) 7.211 8.117 ( 0.000 10.196 -7.892) 12.894 8.413 ( 0.000 0.445 8.793) 8.804 8.622 ( 0.000 7.146 5.145) 8.806 8.642 ( 0.000 4.913 -5.252) 7.191 8.696 ( 0.000 -4.144 -8.178) 9.168 9.031 ( 0.000 5.015 0.421) 5.032 9.034 ( 0.000 5.342 -0.999) 5.435 9.222 ( 0.000 12.836 8.888) 15.613 9.364 ( 0.000 13.450 -2.683) 13.715 9.647 ( 0.000 11.805 7.549) 14.012 9.790 ( 0.000 9.750 -7.112) 12.069 10.258 ( 0.000 16.600 4.413) 17.177 10.277 ( 0.000 11.029 6.092) 12.600 10.454 ( 0.000 10.331 0.177) 10.332 10.641 ( 0.000 1.534 -12.314) 12.410 10.814 ( 0.000 10.981 11.236) 15.711 10.869 ( 0.000 12.528 6.401) 14.068 11.141 ( 0.000 7.135 -6.133) 9.409 11.162 ( 0.000 4.512 -8.101) 9.272 11.300 ( 0.000 13.322 9.101) 16.134 11.473 ( 0.000 15.994 -6.468) 17.253 11.590 ( 0.000 3.343 -4.172) 5.346 11.599 ( 0.000 11.908 -4.167) 12.616 12.032 ( 0.000 18.155 6.564) 19.305 12.110 ( 0.000 15.517 -2.214) 15.675 12.217 ( 0.000 26.929 3.938) 27.215 12.333 ( 0.000 26.815 -5.531) 27.379 12.803 ( 0.000 -5.118 2.827) 5.847 12.867 ( 0.000 -2.973 -3.686) 4.735 13.078 ( 0.000 -12.946 2.858) 13.257 13.099 ( 0.000 -16.614 2.164) 16.754 13.370 ( 0.000 -7.145 4.576) 8.485 13.455 ( 0.000 1.378 -3.701) 3.949 13.767 ( 0.000 -9.543 12.531) 15.750 13.830 ( 0.000 -8.954 2.152) 9.209 14.051 ( 0.000 8.127 -7.844) 11.295 14.177 ( 0.000 -0.373 -16.531) 16.535 14.869 ( 0.000 -11.997 -2.081) 12.176 14.885 ( 0.000 -10.141 -2.705) 10.496 15.203 ( 0.000 11.224 5.451) 12.478 15.305 ( 0.000 13.492 -4.096) 14.100 15.678 ( 0.000 -5.036 8.711) 10.062 15.828 ( 0.000 -10.440 -5.629) 11.860 16.145 ( 0.000 0.990 -1.745) 2.006 16.193 ( 0.000 -4.875 -5.414) 7.286 16.950 ( 0.000 -16.267 0.776) 16.285 16.994 ( 0.000 -15.022 -3.634) 15.455 17.766 ( 0.000 2.014 8.682) 8.913 17.880 ( 0.000 0.520 -2.378) 2.434 18.188 ( 0.000 -7.141 2.945) 7.725 18.194 ( 0.000 -8.608 2.491) 8.961 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.25 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 0.514 6.324 11.906) 13.491 2.178 ( -0.580 3.063 -0.723) 3.200 2.268 ( -3.887 0.111 2.002) 4.374 2.346 ( -3.721 -0.994 -3.405) 5.141 2.408 ( 2.286 5.314 6.555) 8.743 2.466 ( 2.296 4.097 -0.731) 4.753 2.480 ( -5.646 5.311 1.013) 7.817 2.508 ( -4.552 3.543 0.144) 5.771 2.672 ( -0.273 5.114 1.102) 5.238 2.696 ( 0.031 5.223 -1.099) 5.337 2.843 ( 1.488 2.124 0.549) 2.651 2.887 ( 1.360 3.088 -2.023) 3.934 2.935 ( -0.501 -2.400 1.437) 2.841 2.986 ( -3.449 -1.048 -3.146) 4.785 3.068 ( 5.716 0.334 4.364) 7.200 3.164 ( 4.310 1.070 -4.675) 6.448 3.281 ( 2.223 -4.888 3.936) 6.658 3.326 ( 1.067 -1.305 0.089) 1.688 3.350 ( -1.902 -0.533 2.837) 3.457 3.401 ( -2.883 3.146 -1.824) 4.640 3.490 ( 4.223 -2.382 0.567) 4.882 3.531 ( 0.739 -2.640 -2.796) 3.916 3.646 ( 4.978 -5.219 -0.941) 7.274 3.666 ( 3.040 -3.105 -2.070) 4.813 3.884 ( -0.121 -3.550 2.991) 4.643 3.919 ( -0.065 -2.225 -0.281) 2.243 3.999 ( -1.528 -2.015 1.518) 2.949 4.038 ( -3.998 3.070 -2.387) 5.577 4.281 ( -5.645 5.704 4.895) 9.401 4.350 ( -8.597 10.838 1.457) 13.910 4.532 ( 1.895 5.888 1.763) 6.432 4.584 ( 0.348 9.583 -4.301) 10.510 4.739 ( 6.970 -1.079 2.465) 7.471 4.805 ( 6.019 -1.768 -3.223) 7.052 4.961 ( -1.849 1.420 -3.013) 3.810 4.965 ( -1.192 1.877 -3.528) 4.170 5.338 ( 0.655 4.455 3.783) 5.881 5.387 ( 0.268 4.007 -0.299) 4.027 5.441 ( -1.734 3.217 1.424) 3.922 5.449 ( -1.557 2.126 0.869) 2.775 5.655 ( 0.677 1.619 3.018) 3.491 5.692 ( 0.568 0.813 0.330) 1.045 5.760 ( 1.325 -7.271 3.119) 8.022 5.848 ( -1.578 -9.579 -4.121) 10.547 6.584 ( 2.409 22.743 5.113) 23.435 6.621 ( -0.478 22.708 2.030) 22.804 6.690 ( 2.522 27.413 -2.985) 27.690 6.717 ( 0.956 22.810 -2.702) 22.989 6.863 ( -0.860 2.049 6.838) 7.190 6.993 ( -3.633 -0.051 -2.450) 4.382 7.052 ( 0.819 -0.205 -4.498) 4.576 7.095 ( -0.223 -0.219 -6.754) 6.762 7.420 ( 0.918 2.732 -0.059) 2.883 7.492 ( 0.735 1.511 -7.061) 7.258 7.818 ( -4.635 -3.044 1.919) 5.868 7.887 ( -5.975 -2.331 -4.722) 7.965 8.075 ( 2.463 6.150 5.647) 8.705 8.200 ( 1.324 4.958 -4.278) 6.681 8.423 ( -6.377 3.813 6.181) 9.665 8.529 ( -6.383 3.562 -4.063) 8.363 8.648 ( 6.273 3.805 2.094) 7.630 8.703 ( 4.972 1.266 -3.903) 6.446 9.027 ( -0.857 4.028 3.632) 5.491 9.075 ( 2.427 1.904 -0.709) 3.165 9.351 ( 5.693 19.607 2.176) 20.532 9.386 ( 1.052 19.494 -0.417) 19.527 9.792 ( 12.837 8.830 6.970) 17.068 9.924 ( 11.881 5.420 -7.128) 14.878 10.207 ( -0.486 10.607 4.029) 11.357 10.265 ( -3.280 15.079 1.767) 15.533 10.446 ( -2.816 9.546 -1.044) 10.007 10.569 ( -9.359 8.220 -8.525) 15.094 10.787 ( 0.441 8.174 5.620) 9.929 10.830 ( -2.343 11.508 2.058) 11.923 11.066 ( -3.144 3.524 -0.668) 4.770 11.164 ( -3.262 5.567 -6.915) 9.458 11.337 ( 3.211 14.071 7.885) 16.446 11.452 ( -1.116 18.699 -2.350) 18.879 11.595 ( 0.808 7.589 -3.005) 8.202 11.649 ( 2.320 7.900 -6.297) 10.366 11.999 ( -1.495 19.466 4.198) 19.970 12.027 ( -3.624 19.226 1.011) 19.591 12.273 ( 2.062 23.940 0.931) 24.046 12.349 ( -0.293 26.157 -4.826) 26.600 12.818 ( 2.229 -6.603 4.944) 8.545 12.914 ( 3.854 -4.486 -4.128) 7.213 13.012 ( -5.220 -11.977 5.976) 14.367 13.074 ( -2.393 -13.806 0.522) 14.022 13.388 ( 1.801 -9.048 4.854) 10.425 13.481 ( 0.833 -3.336 -3.737) 5.079 13.704 ( -3.832 -10.117 8.133) 13.534 13.785 ( -4.383 -9.518 0.039) 10.478 14.045 ( 0.116 7.176 -6.240) 9.510 14.134 ( -3.446 1.867 -12.624) 13.219 14.866 ( -0.034 -10.766 -2.371) 11.024 14.882 ( -0.424 -10.577 -3.428) 11.127 15.235 ( 2.585 11.151 5.249) 12.593 15.308 ( -0.149 12.370 -1.214) 12.431 15.717 ( 3.210 -4.691 4.831) 7.460 15.818 ( -1.008 -8.705 -4.471) 9.838 16.167 ( 1.787 -0.124 -1.781) 2.526 16.201 ( 0.542 -3.299 -4.516) 5.619 16.949 ( 0.099 -16.167 -0.086) 16.167 16.982 ( -1.045 -15.200 -3.292) 15.588 17.791 ( 2.201 1.373 7.201) 7.654 17.872 ( -0.838 0.346 -0.661) 1.122 18.186 ( -0.135 -7.467 2.917) 8.018 18.191 ( -0.228 -8.305 2.439) 8.659 ======================= Grid point 152 (57/60) ======================= q-point: (-0.50 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -5.221 4.795 6.677) 9.738 2.102 ( 5.221 4.795 6.677) 9.738 2.257 ( -2.764 0.051 -3.841) 4.732 2.257 ( 2.764 0.051 -3.841) 4.732 2.432 ( -1.537 4.688 4.285) 6.534 2.432 ( 1.537 4.688 4.285) 6.534 2.482 ( -1.296 5.971 0.890) 6.174 2.482 ( 1.296 5.971 0.890) 6.174 2.671 ( -1.098 5.449 0.112) 5.560 2.671 ( 1.098 5.449 0.112) 5.560 2.889 ( -1.855 -0.008 -3.728) 4.164 2.889 ( 1.855 -0.008 -3.728) 4.164 2.934 ( -0.906 -0.276 0.100) 0.952 2.934 ( 0.906 -0.276 0.100) 0.952 3.172 ( -3.450 -3.526 2.874) 5.709 3.172 ( 3.450 -3.526 2.874) 5.709 3.313 ( -2.568 0.574 3.015) 4.002 3.313 ( 2.568 0.574 3.015) 4.002 3.360 ( -1.116 1.347 -1.909) 2.589 3.360 ( 1.116 1.347 -1.909) 2.589 3.547 ( -0.355 -4.156 -1.831) 4.556 3.547 ( 0.355 -4.156 -1.831) 4.556 3.703 ( -0.884 -5.019 -2.168) 5.538 3.703 ( 0.884 -5.019 -2.168) 5.538 3.897 ( -1.252 -5.208 2.322) 5.838 3.897 ( 1.252 -5.208 2.322) 5.838 4.002 ( -1.049 -3.515 0.249) 3.676 4.002 ( 1.049 -3.515 0.249) 3.676 4.210 ( -2.095 16.476 4.768) 17.280 4.210 ( 2.095 16.476 4.768) 17.280 4.575 ( -1.458 8.441 -1.661) 8.726 4.575 ( 1.458 8.441 -1.661) 8.726 4.876 ( -5.817 0.443 -0.638) 5.869 4.876 ( 5.817 0.443 -0.638) 5.869 4.915 ( -4.039 0.208 -4.391) 5.970 4.915 ( 4.039 0.208 -4.391) 5.970 5.375 ( -2.213 1.400 2.639) 3.718 5.375 ( 2.213 1.400 2.639) 3.718 5.419 ( -0.787 4.341 0.289) 4.422 5.419 ( 0.787 4.341 0.289) 4.422 5.680 ( -1.403 0.156 3.242) 3.536 5.680 ( 1.403 0.156 3.242) 3.536 5.803 ( -2.514 -7.057 -2.011) 7.756 5.803 ( 2.514 -7.057 -2.011) 7.756 6.620 ( -0.406 21.541 4.575) 22.025 6.620 ( 0.406 21.541 4.575) 22.025 6.722 ( -0.693 25.999 -1.543) 26.054 6.722 ( 0.693 25.999 -1.543) 26.054 6.901 ( -4.437 1.455 -0.830) 4.743 6.901 ( 4.437 1.455 -0.830) 4.743 7.076 ( -1.349 0.639 -6.010) 6.193 7.076 ( 1.349 0.639 -6.010) 6.193 7.461 ( -2.830 2.708 -2.426) 4.608 7.461 ( 2.830 2.708 -2.426) 4.608 7.792 ( -2.687 -4.854 -3.069) 6.340 7.792 ( 2.687 -4.854 -3.069) 6.340 8.158 ( -5.050 4.676 5.177) 8.612 8.158 ( 5.050 4.676 5.177) 8.612 8.385 ( -4.903 3.048 -1.612) 5.994 8.385 ( 4.903 3.048 -1.612) 5.994 8.782 ( -3.479 7.663 1.523) 8.553 8.782 ( 3.479 7.663 1.523) 8.553 9.050 ( -4.393 -2.044 2.154) 5.302 9.050 ( 4.393 -2.044 2.154) 5.302 9.393 ( -0.414 23.064 -0.668) 23.077 9.393 ( 0.414 23.064 -0.668) 23.077 10.051 ( -6.986 10.766 4.021) 13.449 10.051 ( 6.986 10.766 4.021) 13.449 10.268 ( -7.265 6.705 -1.384) 9.983 10.268 ( 7.265 6.705 -1.384) 9.983 10.334 ( -7.475 9.911 -6.815) 14.161 10.334 ( 7.475 9.911 -6.815) 14.161 10.813 ( -0.549 11.523 0.814) 11.565 10.813 ( 0.549 11.523 0.814) 11.565 11.066 ( -3.823 3.868 -1.120) 5.553 11.066 ( 3.823 3.868 -1.120) 5.553 11.411 ( -3.299 15.175 4.799) 16.254 11.411 ( 3.299 15.175 4.799) 16.254 11.636 ( -2.875 9.704 -6.454) 12.004 11.636 ( 2.875 9.704 -6.454) 12.004 11.998 ( -0.648 21.269 3.158) 21.512 11.998 ( 0.648 21.269 3.158) 21.512 12.306 ( -2.389 22.559 -2.789) 22.856 12.306 ( 2.389 22.559 -2.789) 22.856 12.898 ( -5.051 -8.851 7.228) 12.494 12.898 ( 5.051 -8.851 7.228) 12.494 13.005 ( -4.133 -8.438 -2.374) 9.691 13.005 ( 4.133 -8.438 -2.374) 9.691 13.444 ( -3.402 -10.112 2.935) 11.065 13.444 ( 3.402 -10.112 2.935) 11.065 13.696 ( -3.039 -9.487 -0.650) 9.983 13.696 ( 3.039 -9.487 -0.650) 9.983 14.069 ( -2.326 5.172 -7.257) 9.210 14.069 ( 2.326 5.172 -7.257) 9.210 14.871 ( -0.492 -10.340 -3.238) 10.846 14.871 ( 0.492 -10.340 -3.238) 10.846 15.286 ( -1.964 11.234 3.126) 11.825 15.286 ( 1.964 11.234 3.126) 11.825 15.782 ( -2.596 -5.812 -1.061) 6.453 15.782 ( 2.596 -5.812 -1.061) 6.453 16.199 ( -0.952 -1.362 -2.652) 3.129 16.199 ( 0.952 -1.362 -2.652) 3.129 16.959 ( -0.897 -15.756 -1.973) 15.904 16.959 ( 0.897 -15.756 -1.973) 15.904 17.840 ( -2.210 0.465 3.412) 4.092 17.840 ( 2.210 0.465 3.412) 4.092 18.186 ( -0.190 -7.897 2.614) 8.320 18.186 ( 0.190 -7.897 2.614) 8.320 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 0.000 4.823 6.954) 8.463 2.220 ( 0.000 -0.761 1.142) 1.372 2.339 ( 0.000 0.683 4.105) 4.162 2.372 ( 0.000 -1.678 0.511) 1.754 2.439 ( 0.000 3.499 2.106) 4.084 2.461 ( 0.000 1.300 -0.283) 1.330 2.612 ( 0.000 1.339 3.064) 3.343 2.649 ( 0.000 -0.847 -0.410) 0.941 2.703 ( 0.000 3.348 2.556) 4.212 2.734 ( 0.000 1.769 -0.943) 2.004 2.906 ( 0.000 0.641 4.732) 4.775 2.918 ( 0.000 0.176 3.166) 3.171 2.966 ( 0.000 3.850 4.642) 6.031 3.040 ( 0.000 1.415 1.827) 2.311 3.096 ( 0.000 -2.504 -0.381) 2.532 3.102 ( 0.000 2.868 -4.659) 5.471 3.113 ( 0.000 0.825 -2.083) 2.240 3.184 ( 0.000 -5.722 -2.850) 6.392 3.339 ( 0.000 -3.973 -0.557) 4.012 3.378 ( 0.000 -7.732 -3.486) 8.481 3.419 ( 0.000 0.616 0.980) 1.157 3.475 ( 0.000 -3.469 -2.819) 4.470 3.535 ( 0.000 2.618 -0.854) 2.754 3.585 ( 0.000 -2.339 -4.327) 4.918 3.867 ( 0.000 0.845 3.295) 3.402 3.907 ( 0.000 -1.911 0.591) 2.000 4.074 ( 0.000 3.588 -1.661) 3.954 4.120 ( 0.000 -0.852 -5.054) 5.125 4.516 ( 0.000 1.609 2.235) 2.754 4.527 ( 0.000 2.859 0.988) 3.025 4.601 ( 0.000 9.182 5.725) 10.820 4.685 ( 0.000 2.423 -0.763) 2.540 4.689 ( 0.000 2.719 2.822) 3.919 4.727 ( 0.000 0.748 -2.124) 2.252 5.003 ( 0.000 1.337 -2.726) 3.036 5.009 ( 0.000 0.878 -3.250) 3.367 5.435 ( 0.000 2.377 2.113) 3.181 5.448 ( 0.000 -1.148 0.800) 1.399 5.458 ( 0.000 -0.073 2.219) 2.221 5.489 ( 0.000 1.860 -0.173) 1.868 5.597 ( 0.000 -4.030 3.020) 5.036 5.657 ( 0.000 -7.583 -2.088) 7.866 5.675 ( 0.000 0.408 0.922) 1.008 5.687 ( 0.000 -0.937 -0.379) 1.011 6.823 ( 0.000 4.319 6.070) 7.450 6.842 ( 0.000 0.815 4.236) 4.314 6.969 ( 0.000 4.594 0.665) 4.642 6.987 ( 0.000 0.313 0.729) 0.793 7.073 ( 0.000 13.173 -5.543) 14.292 7.081 ( 0.000 5.578 -4.164) 6.960 7.100 ( 0.000 7.154 0.544) 7.174 7.150 ( 0.000 5.222 -4.019) 6.590 7.464 ( 0.000 2.877 -3.526) 4.551 7.472 ( 0.000 0.644 -4.511) 4.557 7.807 ( 0.000 -4.687 3.744) 5.999 7.848 ( 0.000 -7.794 -0.564) 7.815 8.213 ( 0.000 6.450 0.901) 6.512 8.306 ( 0.000 1.809 0.165) 1.816 8.389 ( 0.000 3.762 -5.427) 6.603 8.551 ( 0.000 -8.175 -12.622) 15.038 8.694 ( 0.000 1.191 2.945) 3.176 8.704 ( 0.000 0.245 2.079) 2.093 9.119 ( 0.000 2.858 0.575) 2.915 9.119 ( 0.000 2.697 0.416) 2.729 9.444 ( 0.000 7.572 3.969) 8.549 9.504 ( 0.000 1.492 -1.027) 1.811 9.873 ( 0.000 9.624 4.451) 10.603 9.954 ( 0.000 3.019 -3.762) 4.823 10.369 ( 0.000 3.265 9.897) 10.422 10.418 ( 0.000 0.679 5.426) 5.469 10.579 ( 0.000 2.345 -0.500) 2.398 10.607 ( 0.000 -1.728 -2.005) 2.647 11.098 ( 0.000 12.066 4.640) 12.927 11.134 ( 0.000 8.876 3.420) 9.512 11.209 ( 0.000 0.038 -1.420) 1.420 11.217 ( 0.000 -0.151 -4.633) 4.636 11.573 ( 0.000 12.491 -0.404) 12.497 11.681 ( 0.000 2.457 -0.649) 2.541 11.717 ( 0.000 9.824 -11.298) 14.972 11.786 ( 0.000 4.571 -9.044) 10.134 12.359 ( 0.000 12.585 6.347) 14.095 12.379 ( 0.000 9.767 4.230) 10.643 12.668 ( 0.000 5.369 2.270) 5.829 12.734 ( 0.000 -3.094 -3.924) 4.998 12.767 ( 0.000 -2.272 2.465) 3.352 12.774 ( 0.000 -3.934 1.763) 4.311 12.843 ( 0.000 8.050 4.653) 9.298 12.945 ( 0.000 11.577 -4.728) 12.506 13.203 ( 0.000 -8.113 3.258) 8.742 13.325 ( 0.000 -12.293 -7.444) 14.371 13.591 ( 0.000 -5.245 9.825) 11.137 13.661 ( 0.000 -9.271 3.298) 9.840 14.283 ( 0.000 14.265 -6.485) 15.670 14.303 ( 0.000 12.871 -9.136) 15.784 14.590 ( 0.000 -15.521 -4.053) 16.041 14.613 ( 0.000 -16.044 -6.161) 17.187 15.430 ( 0.000 10.873 6.024) 12.430 15.530 ( 0.000 8.121 -3.626) 8.894 15.616 ( 0.000 -1.994 2.149) 2.932 15.629 ( 0.000 -9.615 0.825) 9.651 16.122 ( 0.000 -1.336 -1.456) 1.976 16.145 ( 0.000 -1.752 -4.016) 4.382 16.705 ( 0.000 -5.959 -0.547) 5.984 16.744 ( 0.000 -8.727 -4.344) 9.749 17.851 ( 0.000 6.487 6.850) 9.434 17.925 ( 0.000 3.911 -0.325) 3.924 18.015 ( 0.000 -8.779 4.395) 9.818 18.045 ( 0.000 -6.949 1.561) 7.122 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.25 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 0.168 4.626 5.853) 7.462 2.212 ( -0.348 -0.993 0.575) 1.199 2.267 ( -4.315 1.489 1.216) 4.724 2.311 ( -4.120 -2.233 -1.793) 5.018 2.503 ( 3.691 3.691 3.609) 6.346 2.530 ( 3.559 1.212 0.922) 3.871 2.565 ( -1.885 4.121 3.100) 5.490 2.595 ( -3.336 3.047 0.499) 4.545 2.737 ( 0.007 1.650 2.031) 2.617 2.755 ( 2.472 -0.779 1.260) 2.882 2.858 ( -5.629 0.425 3.077) 6.429 2.899 ( -2.102 -2.381 0.841) 3.285 2.943 ( 1.024 3.619 3.458) 5.109 2.987 ( -2.671 2.177 -0.486) 3.480 3.052 ( 0.932 -2.042 1.894) 2.936 3.096 ( -0.352 -4.142 -1.514) 4.424 3.254 ( 5.302 1.253 -0.630) 5.484 3.277 ( 5.161 -2.855 -0.153) 5.901 3.347 ( 1.954 0.594 -1.565) 2.573 3.379 ( -0.026 -3.353 -3.364) 4.750 3.450 ( 1.797 -1.266 -0.387) 2.232 3.497 ( 1.743 -2.691 -4.024) 5.145 3.538 ( 0.676 -1.186 0.079) 1.367 3.588 ( 0.263 -4.049 -3.899) 5.627 3.855 ( -0.705 1.140 3.326) 3.586 3.897 ( -0.518 -2.178 0.186) 2.247 3.989 ( -6.306 1.756 0.144) 6.547 4.035 ( -6.295 -2.274 -3.299) 7.462 4.519 ( 1.173 12.156 3.825) 12.798 4.580 ( 0.618 9.041 -1.275) 9.151 4.651 ( 2.995 5.041 4.747) 7.544 4.699 ( 2.551 -0.570 3.023) 3.996 4.735 ( 2.895 2.045 -2.007) 4.074 4.763 ( 5.772 -2.350 -1.848) 6.501 4.980 ( -2.758 0.663 -2.748) 3.950 4.991 ( -2.275 0.170 -3.663) 4.315 5.395 ( -2.015 0.790 2.372) 3.210 5.407 ( -1.992 -0.973 1.369) 2.606 5.451 ( -1.337 -0.535 1.336) 1.964 5.468 ( -1.955 -0.493 0.099) 2.019 5.632 ( 2.348 -1.782 2.470) 3.846 5.676 ( 0.871 -2.738 -0.114) 2.876 5.677 ( 0.612 -1.999 0.168) 2.098 5.697 ( 0.620 -1.675 -0.762) 1.942 6.823 ( 0.651 3.689 3.611) 5.203 6.843 ( 0.603 0.377 2.239) 2.349 6.925 ( -3.100 4.986 1.408) 6.038 6.956 ( -2.905 -0.207 -0.258) 2.923 7.110 ( 3.240 7.912 -2.422) 8.887 7.122 ( 3.012 11.844 -2.412) 12.457 7.137 ( 2.720 9.170 -0.750) 9.594 7.184 ( 1.824 6.841 -4.062) 8.163 7.456 ( 0.082 2.364 -2.433) 3.393 7.485 ( 1.089 -0.200 -5.186) 5.303 7.715 ( -6.819 -5.462 1.358) 8.842 7.760 ( -6.862 -8.405 -2.915) 11.235 8.217 ( 0.889 7.007 3.964) 8.100 8.295 ( -0.313 1.745 -0.623) 1.879 8.435 ( -4.693 0.975 0.868) 4.872 8.517 ( -7.249 -4.253 -5.005) 9.782 8.683 ( 8.238 1.279 -0.046) 8.337 8.708 ( 8.160 -0.796 -2.758) 8.650 9.095 ( -3.411 2.210 2.330) 4.685 9.105 ( -2.239 0.956 1.432) 2.825 9.669 ( 14.696 10.168 1.154) 17.908 9.695 ( 11.883 8.705 -0.625) 14.744 9.920 ( 6.021 4.536 3.798) 8.441 9.983 ( 3.776 -0.284 -2.948) 4.799 10.336 ( -0.688 4.658 5.648) 7.353 10.393 ( -2.540 0.119 4.085) 4.811 10.548 ( -3.627 3.147 -3.921) 6.200 10.606 ( -3.137 -2.053 -6.369) 7.391 11.011 ( -4.511 9.956 9.346) 14.381 11.093 ( -4.081 8.139 0.050) 9.105 11.112 ( -4.476 1.206 1.950) 5.029 11.191 ( -3.933 -1.431 -3.045) 5.176 11.647 ( 4.541 13.278 -0.407) 14.039 11.708 ( 1.670 6.479 -0.316) 6.698 11.754 ( 2.894 7.577 -8.932) 12.065 11.799 ( 0.973 4.210 -7.876) 8.984 12.365 ( 1.784 14.390 5.472) 15.498 12.386 ( 1.549 13.876 3.524) 14.400 12.653 ( -2.742 1.195 1.510) 3.350 12.666 ( -5.706 0.851 0.793) 5.823 12.738 ( -0.741 -2.218 3.322) 4.062 12.791 ( 1.866 -6.254 -1.515) 6.700 12.897 ( 1.668 8.108 4.268) 9.313 12.984 ( 2.719 14.923 -4.279) 15.761 13.171 ( -1.390 -12.000 4.618) 12.933 13.285 ( -3.584 -12.592 -4.713) 13.915 13.496 ( -6.459 -8.158 5.782) 11.904 13.570 ( -7.300 -12.000 0.051) 14.046 14.274 ( 0.035 14.929 -5.384) 15.870 14.305 ( -0.482 13.683 -7.990) 15.852 14.592 ( 0.240 -15.888 -4.042) 16.396 14.610 ( -0.322 -15.818 -5.743) 16.832 15.451 ( 1.709 10.081 5.294) 11.514 15.516 ( -1.112 8.158 -0.270) 8.238 15.632 ( 0.989 -6.426 0.382) 6.513 15.642 ( 0.863 -7.142 -0.064) 7.194 16.194 ( 6.519 4.065 -0.917) 7.738 16.231 ( 6.565 2.863 -4.649) 8.538 16.664 ( -3.556 -9.624 -0.720) 10.285 16.700 ( -4.028 -11.415 -4.258) 12.832 17.865 ( 1.279 5.998 5.896) 8.507 17.919 ( -0.688 4.269 0.724) 4.385 18.018 ( 0.270 -8.572 4.083) 9.498 18.039 ( -0.498 -7.153 1.995) 7.443 ======================= Grid point 157 (60/60) ======================= q-point: (-0.50 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -2.975 3.367 1.713) 4.808 2.183 ( 2.975 3.367 1.713) 4.808 2.236 ( -2.436 -1.947 -0.929) 3.253 2.236 ( 2.436 -1.947 -0.929) 3.253 2.540 ( -0.581 5.232 4.309) 6.804 2.540 ( 0.581 5.232 4.309) 6.804 2.570 ( -0.585 2.490 1.644) 3.040 2.570 ( 0.585 2.490 1.644) 3.040 2.754 ( -2.408 2.434 1.213) 3.632 2.754 ( 2.408 2.434 1.213) 3.632 2.826 ( -3.182 -5.161 0.362) 6.074 2.826 ( 3.182 -5.161 0.362) 6.074 2.969 ( -0.972 4.355 1.022) 4.578 2.969 ( 0.972 4.355 1.022) 4.578 3.077 ( -1.291 -5.468 1.487) 5.811 3.077 ( 1.291 -5.468 1.487) 5.811 3.319 ( -1.487 1.999 1.779) 3.061 3.319 ( 1.487 1.999 1.779) 3.061 3.378 ( -1.464 -1.985 -2.525) 3.530 3.378 ( 1.464 -1.985 -2.525) 3.530 3.497 ( -1.962 0.645 -3.011) 3.652 3.497 ( 1.962 0.645 -3.011) 3.652 3.575 ( -1.868 -6.452 -2.834) 7.291 3.575 ( 1.868 -6.452 -2.834) 7.291 3.872 ( -2.877 1.763 1.267) 3.604 3.872 ( 2.877 1.763 1.267) 3.604 3.927 ( -2.982 -3.453 0.408) 4.580 3.927 ( 2.982 -3.453 0.408) 4.580 4.554 ( -1.979 14.981 2.822) 15.372 4.554 ( 1.979 14.981 2.822) 15.372 4.696 ( -1.410 1.617 0.731) 2.266 4.696 ( 1.410 1.617 0.731) 2.266 4.873 ( -7.097 -0.137 -1.086) 7.181 4.873 ( 7.097 -0.137 -1.086) 7.181 4.901 ( -6.179 -1.924 -3.222) 7.229 4.901 ( 6.179 -1.924 -3.222) 7.229 5.386 ( -0.607 0.891 1.842) 2.134 5.386 ( 0.607 0.891 1.842) 2.134 5.432 ( -0.598 -2.742 0.462) 2.844 5.432 ( 0.598 -2.742 0.462) 2.844 5.669 ( -1.029 0.072 2.011) 2.260 5.669 ( 1.029 0.072 2.011) 2.260 5.699 ( -0.554 -2.923 -0.840) 3.091 5.699 ( 0.554 -2.923 -0.840) 3.091 6.860 ( -2.733 3.741 2.125) 5.097 6.860 ( 2.733 3.741 2.125) 5.097 6.886 ( -3.226 -0.050 -0.274) 3.238 6.886 ( 3.226 -0.050 -0.274) 3.238 7.165 ( -0.126 11.438 -1.524) 11.540 7.165 ( 0.126 11.438 -1.524) 11.540 7.181 ( -2.079 9.234 -2.395) 9.764 7.181 ( 2.079 9.234 -2.395) 9.764 7.488 ( -2.233 2.370 -2.628) 4.185 7.488 ( 2.233 2.370 -2.628) 4.185 7.640 ( -2.510 -9.822 -2.638) 10.475 7.640 ( 2.510 -9.822 -2.638) 10.475 8.268 ( -3.970 6.026 2.244) 7.557 8.268 ( 3.970 6.026 2.244) 7.557 8.373 ( -4.122 -3.746 -0.019) 5.570 8.373 ( 4.122 -3.746 -0.019) 5.570 8.903 ( -3.009 4.896 0.287) 5.754 8.903 ( 3.009 4.896 0.287) 5.754 8.987 ( -3.312 -3.717 0.985) 5.075 8.987 ( 3.312 -3.717 0.985) 5.075 9.817 ( -0.388 17.881 1.070) 17.917 9.817 ( 0.388 17.881 1.070) 17.917 10.069 ( -1.758 -7.287 1.959) 7.748 10.069 ( 1.758 -7.287 1.959) 7.748 10.397 ( -1.283 5.730 -2.740) 6.479 10.397 ( 1.283 5.730 -2.740) 6.479 10.444 ( -3.214 1.272 -5.528) 6.520 10.444 ( 3.214 1.272 -5.528) 6.520 11.012 ( -3.154 7.130 4.190) 8.851 11.012 ( 3.154 7.130 4.190) 8.851 11.097 ( -3.458 -1.426 1.930) 4.209 11.097 ( 3.458 -1.426 1.930) 4.209 11.712 ( -1.597 12.914 0.317) 13.016 11.712 ( 1.597 12.914 0.317) 13.016 11.801 ( -1.222 4.433 -7.153) 8.504 11.801 ( 1.222 4.433 -7.153) 8.504 12.431 ( -1.360 17.750 3.882) 18.220 12.431 ( 1.360 17.750 3.882) 18.220 12.573 ( -1.537 1.022 -0.035) 1.846 12.573 ( 1.537 1.022 -0.035) 1.846 12.769 ( -3.046 0.665 5.752) 6.542 12.769 ( 3.046 0.665 5.752) 6.542 12.958 ( -4.860 -2.530 -2.904) 6.201 12.958 ( 4.860 -2.530 -2.904) 6.201 13.210 ( -3.955 -2.984 3.223) 5.910 13.210 ( 3.955 -2.984 3.223) 5.910 13.444 ( -2.900 -15.416 -1.826) 15.792 13.444 ( 2.900 -15.416 -1.826) 15.792 14.287 ( -1.007 14.785 -5.950) 15.969 14.287 ( 1.007 14.785 -5.950) 15.969 14.601 ( -0.539 -15.913 -4.739) 16.613 14.601 ( 0.539 -15.913 -4.739) 16.613 15.487 ( -1.642 8.856 3.127) 9.534 15.487 ( 1.642 8.856 3.127) 9.534 15.648 ( -0.376 -7.591 -0.390) 7.611 15.648 ( 0.376 -7.591 -0.390) 7.611 16.310 ( -1.710 12.143 -2.744) 12.566 16.310 ( 1.710 12.143 -2.744) 12.566 16.620 ( -1.537 -17.678 -2.687) 17.946 16.620 ( 1.537 -17.678 -2.687) 17.946 17.896 ( -1.463 5.024 3.411) 6.246 17.896 ( 1.463 5.024 3.411) 6.246 18.027 ( -0.585 -7.814 3.046) 8.407 18.027 ( 0.585 -7.814 3.046) 8.407 =================== 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 3/27216 10.0 2327.735 3030.961 2740.356 0.000 0.000 0.000 3/27216 20.0 433.210 575.424 476.705 0.000 0.000 0.000 3/27216 30.0 142.720 209.183 164.221 0.000 0.000 0.000 3/27216 40.0 71.458 105.968 83.323 0.000 0.000 0.000 3/27216 50.0 44.411 65.590 51.722 0.000 0.000 0.000 3/27216 60.0 31.101 45.712 36.060 0.000 0.000 0.000 3/27216 70.0 23.431 34.356 27.049 0.000 0.000 0.000 3/27216 80.0 18.541 27.188 21.327 0.000 0.000 0.000 3/27216 90.0 15.199 22.333 17.432 0.000 0.000 0.000 3/27216 100.0 12.799 18.868 14.644 0.000 0.000 0.000 3/27216 110.0 11.008 16.293 12.569 0.000 0.000 0.000 3/27216 120.0 9.630 14.317 10.976 0.000 0.000 0.000 3/27216 130.0 8.543 12.760 9.723 0.000 0.000 0.000 3/27216 140.0 7.668 11.505 8.715 0.000 0.000 0.000 3/27216 150.0 6.951 10.474 7.891 0.000 0.000 0.000 3/27216 160.0 6.354 9.615 7.205 0.000 0.000 0.000 3/27216 170.0 5.850 8.887 6.628 0.000 0.000 0.000 3/27216 180.0 5.420 8.264 6.136 0.000 0.000 0.000 3/27216 190.0 5.049 7.724 5.712 0.000 0.000 0.000 3/27216 200.0 4.725 7.253 5.343 0.000 0.000 0.000 3/27216 210.0 4.441 6.837 5.019 0.000 0.000 0.000 3/27216 220.0 4.190 6.468 4.733 0.000 0.000 0.000 3/27216 230.0 3.967 6.138 4.479 0.000 0.000 0.000 3/27216 240.0 3.766 5.842 4.251 0.000 0.000 0.000 3/27216 250.0 3.585 5.573 4.046 0.000 0.000 0.000 3/27216 260.0 3.421 5.329 3.860 0.000 0.000 0.000 3/27216 270.0 3.272 5.106 3.691 0.000 0.000 0.000 3/27216 280.0 3.136 4.902 3.536 0.000 0.000 0.000 3/27216 290.0 3.011 4.714 3.395 0.000 0.000 0.000 3/27216 300.0 2.896 4.540 3.264 0.000 0.000 0.000 3/27216 310.0 2.789 4.379 3.144 0.000 0.000 0.000 3/27216 320.0 2.691 4.229 3.032 0.000 0.000 0.000 3/27216 330.0 2.599 4.090 2.929 0.000 0.000 0.000 3/27216 340.0 2.514 3.960 2.832 0.000 0.000 0.000 3/27216 350.0 2.434 3.838 2.742 0.000 0.000 0.000 3/27216 360.0 2.359 3.723 2.657 0.000 0.000 0.000 3/27216 370.0 2.289 3.615 2.578 0.000 0.000 0.000 3/27216 380.0 2.223 3.514 2.504 0.000 0.000 0.000 3/27216 390.0 2.160 3.418 2.433 0.000 0.000 0.000 3/27216 400.0 2.102 3.328 2.367 0.000 0.000 0.000 3/27216 410.0 2.046 3.242 2.304 0.000 0.000 0.000 3/27216 420.0 1.993 3.160 2.245 0.000 0.000 0.000 3/27216 430.0 1.943 3.083 2.189 0.000 0.000 0.000 3/27216 440.0 1.896 3.010 2.135 0.000 0.000 0.000 3/27216 450.0 1.851 2.940 2.084 0.000 0.000 0.000 3/27216 460.0 1.808 2.873 2.036 0.000 0.000 0.000 3/27216 470.0 1.767 2.809 1.990 0.000 0.000 0.000 3/27216 480.0 1.728 2.748 1.946 0.000 0.000 0.000 3/27216 490.0 1.691 2.690 1.904 0.000 0.000 0.000 3/27216 500.0 1.655 2.634 1.863 0.000 0.000 0.000 3/27216 510.0 1.620 2.580 1.825 0.000 0.000 0.000 3/27216 520.0 1.588 2.529 1.788 0.000 0.000 0.000 3/27216 530.0 1.556 2.480 1.752 0.000 0.000 0.000 3/27216 540.0 1.526 2.432 1.718 0.000 0.000 0.000 3/27216 550.0 1.497 2.387 1.685 0.000 0.000 0.000 3/27216 560.0 1.469 2.343 1.654 0.000 0.000 0.000 3/27216 570.0 1.442 2.300 1.624 0.000 0.000 0.000 3/27216 580.0 1.416 2.260 1.594 0.000 0.000 0.000 3/27216 590.0 1.391 2.220 1.566 0.000 0.000 0.000 3/27216 600.0 1.367 2.182 1.539 0.000 0.000 0.000 3/27216 610.0 1.344 2.146 1.513 0.000 0.000 0.000 3/27216 620.0 1.321 2.110 1.487 0.000 0.000 0.000 3/27216 630.0 1.299 2.076 1.463 0.000 0.000 0.000 3/27216 640.0 1.278 2.043 1.439 0.000 0.000 0.000 3/27216 650.0 1.258 2.011 1.416 0.000 0.000 0.000 3/27216 660.0 1.238 1.980 1.394 0.000 0.000 0.000 3/27216 670.0 1.219 1.949 1.373 0.000 0.000 0.000 3/27216 680.0 1.201 1.920 1.352 0.000 0.000 0.000 3/27216 690.0 1.183 1.892 1.332 0.000 0.000 0.000 3/27216 700.0 1.165 1.864 1.312 0.000 0.000 0.000 3/27216 710.0 1.149 1.837 1.293 0.000 0.000 0.000 3/27216 720.0 1.132 1.811 1.275 0.000 0.000 0.000 3/27216 730.0 1.116 1.786 1.257 0.000 0.000 0.000 3/27216 740.0 1.101 1.762 1.239 0.000 0.000 0.000 3/27216 750.0 1.086 1.738 1.222 0.000 0.000 0.000 3/27216 760.0 1.071 1.715 1.206 0.000 0.000 0.000 3/27216 770.0 1.057 1.692 1.190 0.000 0.000 0.000 3/27216 780.0 1.043 1.670 1.174 0.000 0.000 0.000 3/27216 790.0 1.029 1.648 1.159 0.000 0.000 0.000 3/27216 800.0 1.016 1.628 1.144 0.000 0.000 0.000 3/27216 810.0 1.003 1.607 1.130 0.000 0.000 0.000 3/27216 820.0 0.991 1.587 1.116 0.000 0.000 0.000 3/27216 830.0 0.979 1.568 1.102 0.000 0.000 0.000 3/27216 840.0 0.967 1.549 1.088 0.000 0.000 0.000 3/27216 850.0 0.955 1.531 1.075 0.000 0.000 0.000 3/27216 860.0 0.944 1.513 1.063 0.000 0.000 0.000 3/27216 870.0 0.933 1.495 1.050 0.000 0.000 0.000 3/27216 880.0 0.922 1.478 1.038 0.000 0.000 0.000 3/27216 890.0 0.911 1.461 1.026 0.000 0.000 0.000 3/27216 900.0 0.901 1.445 1.014 0.000 0.000 0.000 3/27216 910.0 0.891 1.429 1.003 0.000 0.000 0.000 3/27216 920.0 0.881 1.413 0.992 0.000 0.000 0.000 3/27216 930.0 0.872 1.397 0.981 0.000 0.000 0.000 3/27216 940.0 0.862 1.382 0.971 0.000 0.000 0.000 3/27216 950.0 0.853 1.368 0.960 0.000 0.000 0.000 3/27216 960.0 0.844 1.353 0.950 0.000 0.000 0.000 3/27216 970.0 0.835 1.339 0.940 0.000 0.000 0.000 3/27216 980.0 0.826 1.326 0.930 0.000 0.000 0.000 3/27216 990.0 0.818 1.312 0.921 0.000 0.000 0.000 3/27216 1000.0 0.810 1.299 0.911 0.000 0.000 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m497.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:42:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|