----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:24:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.848044690000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.791397590000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.734915300000001 Atomic positions (fractional): *1 O 0.49298435349911 0.25000000000000 0.25000000000000 15.999 2 O 0.00701564650089 0.75000000000000 0.25000000000000 15.999 3 O 0.50701564650089 0.75000000000000 0.75000000000000 15.999 4 O 0.99298435349911 0.25000000000000 0.75000000000000 15.999 *5 O 0.25000000000000 0.50000000000000 0.82384105609658 15.999 6 O 0.25000000000000 0.00000000000000 0.67615894390342 15.999 7 O 0.75000000000000 0.50000000000000 0.17615894390342 15.999 8 O 0.75000000000000 0.00000000000000 0.32384105609658 15.999 *9 O 0.25000000000000 0.50000000000000 0.24580870762247 15.999 10 O 0.25000000000000 0.00000000000000 0.25419129237753 15.999 11 O 0.75000000000000 0.50000000000000 0.75419129237753 15.999 12 O 0.75000000000000 0.00000000000000 0.74580870762247 15.999 *13 O 0.37258449196265 0.10591298546476 0.94932866566299 15.999 14 O 0.37258449196265 0.39408701453524 0.55067133433701 15.999 15 O 0.12741550803735 0.89408701453524 0.94932866566299 15.999 16 O 0.12741550803735 0.60591298546476 0.55067133433701 15.999 17 O 0.87258449196265 0.39408701453524 0.44932866566299 15.999 18 O 0.87258449196265 0.10591298546476 0.05067133433701 15.999 19 O 0.62741550803735 0.60591298546476 0.44932866566299 15.999 20 O 0.62741550803735 0.89408701453524 0.05067133433701 15.999 *21 K 0.06593203322829 0.16711173020637 0.42361937686477 39.098 22 K 0.06593203322829 0.33288826979363 0.07638062313523 39.098 23 K 0.43406796677171 0.83288826979363 0.42361937686477 39.098 24 K 0.43406796677171 0.66711173020637 0.07638062313523 39.098 25 K 0.93406796677171 0.83288826979363 0.57638062313523 39.098 26 K 0.93406796677171 0.66711173020637 0.92361937686477 39.098 27 K 0.56593203322829 0.16711173020637 0.57638062313523 39.098 28 K 0.56593203322829 0.33288826979363 0.92361937686477 39.098 *29 Zr 0.53243350589291 0.42354855313640 0.34048673636067 91.224 30 Zr 0.53243350589291 0.07645144686360 0.15951326363933 91.224 31 Zr 0.96756649410709 0.57645144686360 0.34048673636067 91.224 32 Zr 0.96756649410709 0.92354855313640 0.15951326363933 91.224 33 Zr 0.46756649410709 0.57645144686360 0.65951326363933 91.224 34 Zr 0.46756649410709 0.92354855313640 0.84048673636067 91.224 35 Zr 0.03243350589291 0.42354855313640 0.65951326363933 91.224 36 Zr 0.03243350589291 0.07645144686360 0.84048673636067 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.848044690000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.791397590000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.734915300000001 Atomic positions (fractional): *1 O 0.49298435349911 0.25000000000000 0.25000000000000 15.999 > 1 2 O 0.00701564650089 0.75000000000000 0.25000000000000 15.999 > 2 3 O 0.50701564650089 0.75000000000000 0.75000000000000 15.999 > 3 4 O 0.99298435349911 0.25000000000000 0.75000000000000 15.999 > 4 *5 O 0.25000000000000 0.50000000000000 0.82384105609658 15.999 > 5 6 O 0.25000000000000 0.00000000000000 0.67615894390342 15.999 > 6 7 O 0.75000000000000 0.50000000000000 0.17615894390342 15.999 > 7 8 O 0.75000000000000 0.00000000000000 0.32384105609658 15.999 > 8 *9 O 0.25000000000000 0.50000000000000 0.24580870762247 15.999 > 9 10 O 0.25000000000000 0.00000000000000 0.25419129237753 15.999 > 10 11 O 0.75000000000000 0.50000000000000 0.75419129237753 15.999 > 11 12 O 0.75000000000000 0.00000000000000 0.74580870762247 15.999 > 12 *13 O 0.37258449196265 0.10591298546476 0.94932866566299 15.999 > 13 14 O 0.37258449196265 0.39408701453524 0.55067133433701 15.999 > 14 15 O 0.12741550803735 0.89408701453524 0.94932866566299 15.999 > 15 16 O 0.12741550803735 0.60591298546476 0.55067133433701 15.999 > 16 17 O 0.87258449196265 0.39408701453524 0.44932866566299 15.999 > 17 18 O 0.87258449196265 0.10591298546476 0.05067133433701 15.999 > 18 19 O 0.62741550803735 0.60591298546476 0.44932866566299 15.999 > 19 20 O 0.62741550803735 0.89408701453524 0.05067133433701 15.999 > 20 *21 K 0.06593203322829 0.16711173020637 0.42361937686477 39.098 > 21 22 K 0.06593203322829 0.33288826979363 0.07638062313523 39.098 > 22 23 K 0.43406796677171 0.83288826979363 0.42361937686477 39.098 > 23 24 K 0.43406796677171 0.66711173020637 0.07638062313523 39.098 > 24 25 K 0.93406796677171 0.83288826979363 0.57638062313523 39.098 > 25 26 K 0.93406796677171 0.66711173020637 0.92361937686477 39.098 > 26 27 K 0.56593203322829 0.16711173020637 0.57638062313523 39.098 > 27 28 K 0.56593203322829 0.33288826979363 0.92361937686477 39.098 > 28 *29 Zr 0.53243350589291 0.42354855313640 0.34048673636067 91.224 > 29 30 Zr 0.53243350589291 0.07645144686360 0.15951326363933 91.224 > 30 31 Zr 0.96756649410709 0.57645144686360 0.34048673636067 91.224 > 31 32 Zr 0.96756649410709 0.92354855313640 0.15951326363933 91.224 > 32 33 Zr 0.46756649410709 0.57645144686360 0.65951326363933 91.224 > 33 34 Zr 0.46756649410709 0.92354855313640 0.84048673636067 91.224 > 34 35 Zr 0.03243350589291 0.42354855313640 0.65951326363933 91.224 > 35 36 Zr 0.03243350589291 0.07645144686360 0.84048673636067 91.224 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.696089380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.791397590000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.469830600000002 Atomic positions (fractional): *1 O 0.24649217674955 0.25000000000000 0.12500000000000 15.999 > 1 2 O 0.74649217674955 0.25000000000000 0.12500000000000 15.999 > 1 3 O 0.24649217674955 0.25000000000000 0.62500000000000 15.999 > 1 4 O 0.74649217674955 0.25000000000000 0.62500000000000 15.999 > 1 5 O 0.00350782325045 0.75000000000000 0.12500000000000 15.999 > 2 6 O 0.50350782325045 0.75000000000000 0.12500000000000 15.999 > 2 7 O 0.00350782325045 0.75000000000000 0.62500000000000 15.999 > 2 8 O 0.50350782325045 0.75000000000000 0.62500000000000 15.999 > 2 9 O 0.25350782325045 0.75000000000000 0.37500000000000 15.999 > 3 10 O 0.75350782325045 0.75000000000000 0.37500000000000 15.999 > 3 11 O 0.25350782325045 0.75000000000000 0.87500000000000 15.999 > 3 12 O 0.75350782325045 0.75000000000000 0.87500000000000 15.999 > 3 13 O 0.49649217674955 0.25000000000000 0.37500000000000 15.999 > 4 14 O 0.99649217674955 0.25000000000000 0.37500000000000 15.999 > 4 15 O 0.49649217674955 0.25000000000000 0.87500000000000 15.999 > 4 16 O 0.99649217674955 0.25000000000000 0.87500000000000 15.999 > 4 *17 O 0.12500000000000 0.50000000000000 0.41192052804829 15.999 > 5 18 O 0.62500000000000 0.50000000000000 0.41192052804829 15.999 > 5 19 O 0.12500000000000 0.50000000000000 0.91192052804829 15.999 > 5 20 O 0.62500000000000 0.50000000000000 0.91192052804829 15.999 > 5 21 O 0.12500000000000 0.00000000000000 0.33807947195171 15.999 > 6 22 O 0.62500000000000 0.00000000000000 0.33807947195171 15.999 > 6 23 O 0.12500000000000 0.00000000000000 0.83807947195171 15.999 > 6 24 O 0.62500000000000 0.00000000000000 0.83807947195171 15.999 > 6 25 O 0.37500000000000 0.50000000000000 0.08807947195171 15.999 > 7 26 O 0.87500000000000 0.50000000000000 0.08807947195171 15.999 > 7 27 O 0.37500000000000 0.50000000000000 0.58807947195171 15.999 > 7 28 O 0.87500000000000 0.50000000000000 0.58807947195171 15.999 > 7 29 O 0.37500000000000 0.00000000000000 0.16192052804829 15.999 > 8 30 O 0.87500000000000 0.00000000000000 0.16192052804829 15.999 > 8 31 O 0.37500000000000 0.00000000000000 0.66192052804829 15.999 > 8 32 O 0.87500000000000 0.00000000000000 0.66192052804829 15.999 > 8 *33 O 0.12500000000000 0.50000000000000 0.12290435381124 15.999 > 9 34 O 0.62500000000000 0.50000000000000 0.12290435381124 15.999 > 9 35 O 0.12500000000000 0.50000000000000 0.62290435381124 15.999 > 9 36 O 0.62500000000000 0.50000000000000 0.62290435381124 15.999 > 9 37 O 0.12500000000000 0.00000000000000 0.12709564618876 15.999 > 10 38 O 0.62500000000000 0.00000000000000 0.12709564618876 15.999 > 10 39 O 0.12500000000000 0.00000000000000 0.62709564618876 15.999 > 10 40 O 0.62500000000000 0.00000000000000 0.62709564618876 15.999 > 10 41 O 0.37500000000000 0.50000000000000 0.37709564618876 15.999 > 11 42 O 0.87500000000000 0.50000000000000 0.37709564618876 15.999 > 11 43 O 0.37500000000000 0.50000000000000 0.87709564618876 15.999 > 11 44 O 0.87500000000000 0.50000000000000 0.87709564618876 15.999 > 11 45 O 0.37500000000000 0.00000000000000 0.37290435381124 15.999 > 12 46 O 0.87500000000000 0.00000000000000 0.37290435381124 15.999 > 12 47 O 0.37500000000000 0.00000000000000 0.87290435381124 15.999 > 12 48 O 0.87500000000000 0.00000000000000 0.87290435381124 15.999 > 12 *49 O 0.18629224598132 0.10591298546476 0.47466433283150 15.999 > 13 50 O 0.68629224598132 0.10591298546476 0.47466433283150 15.999 > 13 51 O 0.18629224598132 0.10591298546476 0.97466433283150 15.999 > 13 52 O 0.68629224598132 0.10591298546476 0.97466433283150 15.999 > 13 53 O 0.18629224598132 0.39408701453524 0.27533566716850 15.999 > 14 54 O 0.68629224598132 0.39408701453524 0.27533566716850 15.999 > 14 55 O 0.18629224598132 0.39408701453524 0.77533566716850 15.999 > 14 56 O 0.68629224598132 0.39408701453524 0.77533566716850 15.999 > 14 57 O 0.06370775401868 0.89408701453524 0.47466433283150 15.999 > 15 58 O 0.56370775401868 0.89408701453524 0.47466433283150 15.999 > 15 59 O 0.06370775401868 0.89408701453524 0.97466433283150 15.999 > 15 60 O 0.56370775401868 0.89408701453524 0.97466433283150 15.999 > 15 61 O 0.06370775401868 0.60591298546476 0.27533566716850 15.999 > 16 62 O 0.56370775401868 0.60591298546476 0.27533566716850 15.999 > 16 63 O 0.06370775401868 0.60591298546476 0.77533566716850 15.999 > 16 64 O 0.56370775401868 0.60591298546476 0.77533566716850 15.999 > 16 65 O 0.43629224598132 0.39408701453524 0.22466433283150 15.999 > 17 66 O 0.93629224598132 0.39408701453524 0.22466433283150 15.999 > 17 67 O 0.43629224598132 0.39408701453524 0.72466433283150 15.999 > 17 68 O 0.93629224598132 0.39408701453524 0.72466433283150 15.999 > 17 69 O 0.43629224598132 0.10591298546476 0.02533566716850 15.999 > 18 70 O 0.93629224598132 0.10591298546476 0.02533566716850 15.999 > 18 71 O 0.43629224598132 0.10591298546476 0.52533566716850 15.999 > 18 72 O 0.93629224598132 0.10591298546476 0.52533566716850 15.999 > 18 73 O 0.31370775401868 0.60591298546476 0.22466433283150 15.999 > 19 74 O 0.81370775401868 0.60591298546476 0.22466433283150 15.999 > 19 75 O 0.31370775401868 0.60591298546476 0.72466433283150 15.999 > 19 76 O 0.81370775401868 0.60591298546476 0.72466433283150 15.999 > 19 77 O 0.31370775401868 0.89408701453524 0.02533566716850 15.999 > 20 78 O 0.81370775401868 0.89408701453524 0.02533566716850 15.999 > 20 79 O 0.31370775401868 0.89408701453524 0.52533566716850 15.999 > 20 80 O 0.81370775401868 0.89408701453524 0.52533566716850 15.999 > 20 *81 K 0.03296601661414 0.16711173020637 0.21180968843239 39.098 > 21 82 K 0.53296601661414 0.16711173020637 0.21180968843239 39.098 > 21 83 K 0.03296601661414 0.16711173020637 0.71180968843239 39.098 > 21 84 K 0.53296601661414 0.16711173020637 0.71180968843239 39.098 > 21 85 K 0.03296601661414 0.33288826979363 0.03819031156762 39.098 > 22 86 K 0.53296601661414 0.33288826979363 0.03819031156762 39.098 > 22 87 K 0.03296601661414 0.33288826979363 0.53819031156761 39.098 > 22 88 K 0.53296601661414 0.33288826979363 0.53819031156761 39.098 > 22 89 K 0.21703398338586 0.83288826979363 0.21180968843239 39.098 > 23 90 K 0.71703398338586 0.83288826979363 0.21180968843239 39.098 > 23 91 K 0.21703398338586 0.83288826979363 0.71180968843239 39.098 > 23 92 K 0.71703398338586 0.83288826979363 0.71180968843239 39.098 > 23 93 K 0.21703398338586 0.66711173020637 0.03819031156762 39.098 > 24 94 K 0.71703398338586 0.66711173020637 0.03819031156762 39.098 > 24 95 K 0.21703398338586 0.66711173020637 0.53819031156761 39.098 > 24 96 K 0.71703398338586 0.66711173020637 0.53819031156761 39.098 > 24 97 K 0.46703398338586 0.83288826979363 0.28819031156761 39.098 > 25 98 K 0.96703398338586 0.83288826979363 0.28819031156761 39.098 > 25 99 K 0.46703398338586 0.83288826979363 0.78819031156761 39.098 > 25 100 K 0.96703398338586 0.83288826979363 0.78819031156761 39.098 > 25 101 K 0.46703398338586 0.66711173020637 0.46180968843239 39.098 > 26 102 K 0.96703398338586 0.66711173020637 0.46180968843239 39.098 > 26 103 K 0.46703398338586 0.66711173020637 0.96180968843239 39.098 > 26 104 K 0.96703398338586 0.66711173020637 0.96180968843239 39.098 > 26 105 K 0.28296601661414 0.16711173020637 0.28819031156761 39.098 > 27 106 K 0.78296601661414 0.16711173020637 0.28819031156761 39.098 > 27 107 K 0.28296601661414 0.16711173020637 0.78819031156761 39.098 > 27 108 K 0.78296601661414 0.16711173020637 0.78819031156761 39.098 > 27 109 K 0.28296601661414 0.33288826979363 0.46180968843239 39.098 > 28 110 K 0.78296601661414 0.33288826979363 0.46180968843239 39.098 > 28 111 K 0.28296601661414 0.33288826979363 0.96180968843239 39.098 > 28 112 K 0.78296601661414 0.33288826979363 0.96180968843239 39.098 > 28 *113 Zr 0.26621675294646 0.42354855313640 0.17024336818034 91.224 > 29 114 Zr 0.76621675294645 0.42354855313640 0.17024336818034 91.224 > 29 115 Zr 0.26621675294646 0.42354855313640 0.67024336818034 91.224 > 29 116 Zr 0.76621675294645 0.42354855313640 0.67024336818034 91.224 > 29 117 Zr 0.26621675294646 0.07645144686360 0.07975663181966 91.224 > 30 118 Zr 0.76621675294645 0.07645144686360 0.07975663181966 91.224 > 30 119 Zr 0.26621675294646 0.07645144686360 0.57975663181966 91.224 > 30 120 Zr 0.76621675294645 0.07645144686360 0.57975663181966 91.224 > 30 121 Zr 0.48378324705354 0.57645144686360 0.17024336818034 91.224 > 31 122 Zr 0.98378324705355 0.57645144686360 0.17024336818034 91.224 > 31 123 Zr 0.48378324705354 0.57645144686360 0.67024336818034 91.224 > 31 124 Zr 0.98378324705355 0.57645144686360 0.67024336818034 91.224 > 31 125 Zr 0.48378324705354 0.92354855313640 0.07975663181966 91.224 > 32 126 Zr 0.98378324705355 0.92354855313640 0.07975663181966 91.224 > 32 127 Zr 0.48378324705354 0.92354855313640 0.57975663181966 91.224 > 32 128 Zr 0.98378324705355 0.92354855313640 0.57975663181966 91.224 > 32 129 Zr 0.23378324705355 0.57645144686360 0.32975663181966 91.224 > 33 130 Zr 0.73378324705355 0.57645144686360 0.32975663181966 91.224 > 33 131 Zr 0.23378324705355 0.57645144686360 0.82975663181966 91.224 > 33 132 Zr 0.73378324705355 0.57645144686360 0.82975663181966 91.224 > 33 133 Zr 0.23378324705355 0.92354855313640 0.42024336818034 91.224 > 34 134 Zr 0.73378324705355 0.92354855313640 0.42024336818034 91.224 > 34 135 Zr 0.23378324705355 0.92354855313640 0.92024336818034 91.224 > 34 136 Zr 0.73378324705355 0.92354855313640 0.92024336818034 91.224 > 34 137 Zr 0.01621675294645 0.42354855313640 0.32975663181966 91.224 > 35 138 Zr 0.51621675294645 0.42354855313640 0.32975663181966 91.224 > 35 139 Zr 0.01621675294645 0.42354855313640 0.82975663181966 91.224 > 35 140 Zr 0.51621675294645 0.42354855313640 0.82975663181966 91.224 > 35 141 Zr 0.01621675294645 0.07645144686360 0.42024336818034 91.224 > 36 142 Zr 0.51621675294645 0.07645144686360 0.42024336818034 91.224 > 36 143 Zr 0.01621675294645 0.07645144686360 0.92024336818034 91.224 > 36 144 Zr 0.51621675294645 0.07645144686360 0.92024336818034 91.224 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1642523 0.0000000 0.0000000 0.0000000 3.8083705 0.0000000 0.0000000 0.0000000 3.6642424 -------------------------- Born effective charges -------------------------- 1 O -1.3427223 0.0000000 0.0000000 0.0000000 -4.6847816 -1.5089607 0.0000000 -1.9348251 -2.0085806 2 O -1.3427223 0.0000000 0.0000000 0.0000000 -4.6847816 1.5089607 0.0000000 1.9348251 -2.0085806 3 O -1.3427223 0.0000000 0.0000000 0.0000000 -4.6847816 -1.5089607 0.0000000 -1.9348251 -2.0085806 4 O -1.3427223 0.0000000 0.0000000 0.0000000 -4.6847816 1.5089607 0.0000000 1.9348251 -2.0085806 5 O -2.8869505 -0.7911169 0.0000000 -0.5477205 -1.7592299 0.0000000 0.0000000 0.0000000 -2.5506466 6 O -2.8869505 0.7911169 0.0000000 0.5477205 -1.7592299 0.0000000 0.0000000 0.0000000 -2.5506466 7 O -2.8869505 -0.7911169 0.0000000 -0.5477205 -1.7592299 0.0000000 0.0000000 0.0000000 -2.5506466 8 O -2.8869505 0.7911169 0.0000000 0.5477205 -1.7592299 0.0000000 0.0000000 0.0000000 -2.5506466 9 O -4.0412530 1.3693150 0.0000000 1.0012386 -1.8211565 0.0000000 0.0000000 0.0000000 -1.6924359 10 O -4.0412530 -1.3693150 0.0000000 -1.0012386 -1.8211565 0.0000000 0.0000000 0.0000000 -1.6924359 11 O -4.0412530 1.3693150 0.0000000 1.0012386 -1.8211565 0.0000000 0.0000000 0.0000000 -1.6924359 12 O -4.0412530 -1.3693150 0.0000000 -1.0012386 -1.8211565 0.0000000 0.0000000 0.0000000 -1.6924359 13 O -2.8321581 0.1375676 -1.1110347 0.1113431 -1.9372986 -0.2817217 -0.7462543 -0.2130754 -2.5413270 14 O -2.8321581 -0.1375676 1.1110347 -0.1113431 -1.9372986 -0.2817217 0.7462543 -0.2130754 -2.5413270 15 O -2.8321581 0.1375676 1.1110347 0.1113431 -1.9372986 0.2817217 0.7462543 0.2130754 -2.5413270 16 O -2.8321581 -0.1375676 -1.1110347 -0.1113431 -1.9372986 0.2817217 -0.7462543 0.2130754 -2.5413270 17 O -2.8321581 -0.1375676 -1.1110347 -0.1113431 -1.9372986 0.2817217 -0.7462543 0.2130754 -2.5413270 18 O -2.8321581 0.1375676 1.1110347 0.1113431 -1.9372986 0.2817217 0.7462543 0.2130754 -2.5413270 19 O -2.8321581 -0.1375676 1.1110347 -0.1113431 -1.9372986 -0.2817217 0.7462543 -0.2130754 -2.5413270 20 O -2.8321581 0.1375676 -1.1110347 0.1113431 -1.9372986 -0.2817217 -0.7462543 -0.2130754 -2.5413270 21 K 1.1045074 0.0094709 -0.0110161 0.0053108 1.3286309 0.1558991 0.0191097 0.2244662 1.2964880 22 K 1.1045074 -0.0094709 0.0110161 -0.0053108 1.3286309 0.1558991 -0.0191097 0.2244662 1.2964880 23 K 1.1045074 0.0094709 0.0110161 0.0053108 1.3286309 -0.1558991 -0.0191097 -0.2244662 1.2964880 24 K 1.1045074 -0.0094709 -0.0110161 -0.0053108 1.3286309 -0.1558991 0.0191097 -0.2244662 1.2964880 25 K 1.1045074 0.0094709 -0.0110161 0.0053108 1.3286309 0.1558991 0.0191097 0.2244662 1.2964880 26 K 1.1045074 -0.0094709 0.0110161 -0.0053108 1.3286309 0.1558991 -0.0191097 0.2244662 1.2964880 27 K 1.1045074 0.0094709 0.0110161 0.0053108 1.3286309 -0.1558991 -0.0191097 -0.2244662 1.2964880 28 K 1.1045074 -0.0094709 -0.0110161 -0.0053108 1.3286309 -0.1558991 0.0191097 -0.2244662 1.2964880 29 Zr 5.8631135 -0.0166694 -0.2577490 0.1549447 4.7412517 0.4221019 0.1920354 0.7797223 4.3706706 30 Zr 5.8631135 0.0166694 0.2577490 -0.1549447 4.7412517 0.4221019 -0.1920354 0.7797223 4.3706706 31 Zr 5.8631135 -0.0166694 0.2577490 0.1549447 4.7412517 -0.4221019 -0.1920354 -0.7797223 4.3706706 32 Zr 5.8631135 0.0166694 -0.2577490 -0.1549447 4.7412517 -0.4221019 0.1920354 -0.7797223 4.3706706 33 Zr 5.8631135 -0.0166694 -0.2577490 0.1549447 4.7412517 0.4221019 0.1920354 0.7797223 4.3706706 34 Zr 5.8631135 0.0166694 0.2577490 -0.1549447 4.7412517 0.4221019 -0.1920354 0.7797223 4.3706706 35 Zr 5.8631135 -0.0166694 0.2577490 0.1549447 4.7412517 -0.4221019 -0.1920354 -0.7797223 4.3706706 36 Zr 5.8631135 0.0166694 -0.2577490 -0.1549447 4.7412517 -0.4221019 0.1920354 -0.7797223 4.3706706 ---------------------------------------------------------------------------- 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: 3061 Number of blocks in projector: 3061 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: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 660 / 660 (1) 154 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 636 Use submatrix version of eigh solver. (1) Block: 500 / 636 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 636 / 636 (1) 131 eigenvectors found. (1) Complementary block size: 13 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 245 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 628 / 628 (1) 122 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3061, 3019), data: False |-- (379, 373), data: True |-- (379, 373), data: True |-- (379, 373), data: True |-- (628, 622), data: False |-- (628, 6), data: (628, 12) @ (12, 6) |-- (128, 122), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 244), data: True |-- (250, 245), data: True |-- (636, 628), data: False |-- (636, 5), data: (636, 13) @ (13, 5) |-- (136, 131), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (660, 650), data: False |-- (660, 6), data: (660, 16) @ (16, 6) |-- (160, 154), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.050 Solver_block: 200 / 560 - Time: 1.022 Solver_block: 300 / 560 - Time: 1.022 Solver_block: 400 / 560 - Time: 1.019 Solver_block: 500 / 560 - Time: 1.021 Solver_block: 560 / 560 - Time: 0.641 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.904 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xy) -0.00000000 (xy) 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: 3061 Number of blocks in projector: 3061 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: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 660 / 660 (1) 154 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 636 Use submatrix version of eigh solver. (1) Block: 500 / 636 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 636 / 636 (1) 131 eigenvectors found. (1) Complementary block size: 13 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 245 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 11 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 628 / 628 (1) 122 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 379 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 379 Use standard eigh solver. Tree of FC basis block matrices: - (3061, 3019), data: False |-- (379, 373), data: True |-- (379, 373), data: True |-- (379, 373), data: True |-- (628, 622), data: False |-- (628, 6), data: (628, 12) @ (12, 6) |-- (128, 122), data: True |-- (500, 494), data: False |-- (500, 5), data: (500, 11) @ (11, 5) |-- (250, 244), data: True |-- (250, 245), data: True |-- (636, 628), data: False |-- (636, 5), data: (636, 13) @ (13, 5) |-- (136, 131), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (660, 650), data: False |-- (660, 6), data: (660, 16) @ (16, 6) |-- (160, 154), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xy) -0.00000000 (xy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:24:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:24:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.848044690000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.791397590000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.734915300000001 Atomic positions (fractional): 1 O 0.49298435349911 0.25000000000000 0.25000000000000 15.999 2 O 0.00701564650089 0.75000000000000 0.25000000000000 15.999 3 O 0.50701564650089 0.75000000000000 0.75000000000000 15.999 4 O 0.99298435349911 0.25000000000000 0.75000000000000 15.999 5 O 0.25000000000000 0.50000000000000 0.82384105609658 15.999 6 O 0.25000000000000 0.00000000000000 0.67615894390342 15.999 7 O 0.75000000000000 0.50000000000000 0.17615894390342 15.999 8 O 0.75000000000000 0.00000000000000 0.32384105609658 15.999 9 O 0.25000000000000 0.50000000000000 0.24580870762247 15.999 10 O 0.25000000000000 0.00000000000000 0.25419129237753 15.999 11 O 0.75000000000000 0.50000000000000 0.75419129237753 15.999 12 O 0.75000000000000 0.00000000000000 0.74580870762247 15.999 13 O 0.37258449196265 0.10591298546476 0.94932866566299 15.999 14 O 0.37258449196265 0.39408701453524 0.55067133433701 15.999 15 O 0.12741550803735 0.89408701453524 0.94932866566299 15.999 16 O 0.12741550803735 0.60591298546476 0.55067133433701 15.999 17 O 0.87258449196265 0.39408701453524 0.44932866566299 15.999 18 O 0.87258449196265 0.10591298546476 0.05067133433701 15.999 19 O 0.62741550803735 0.60591298546476 0.44932866566299 15.999 20 O 0.62741550803735 0.89408701453524 0.05067133433701 15.999 21 K 0.06593203322829 0.16711173020637 0.42361937686477 39.098 22 K 0.06593203322829 0.33288826979363 0.07638062313523 39.098 23 K 0.43406796677171 0.83288826979363 0.42361937686477 39.098 24 K 0.43406796677171 0.66711173020637 0.07638062313523 39.098 25 K 0.93406796677171 0.83288826979363 0.57638062313523 39.098 26 K 0.93406796677171 0.66711173020637 0.92361937686477 39.098 27 K 0.56593203322829 0.16711173020637 0.57638062313523 39.098 28 K 0.56593203322829 0.33288826979363 0.92361937686477 39.098 29 Zr 0.53243350589291 0.42354855313640 0.34048673636067 91.224 30 Zr 0.53243350589291 0.07645144686360 0.15951326363933 91.224 31 Zr 0.96756649410709 0.57645144686360 0.34048673636067 91.224 32 Zr 0.96756649410709 0.92354855313640 0.15951326363933 91.224 33 Zr 0.46756649410709 0.57645144686360 0.65951326363933 91.224 34 Zr 0.46756649410709 0.92354855313640 0.84048673636067 91.224 35 Zr 0.03243350589291 0.42354855313640 0.65951326363933 91.224 36 Zr 0.03243350589291 0.07645144686360 0.84048673636067 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.696089380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.791397590000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.469830600000002 Atomic positions (fractional): 1 O 0.24649217674955 0.25000000000000 0.12500000000000 15.999 > 1 2 O 0.74649217674955 0.25000000000000 0.12500000000000 15.999 > 1 3 O 0.24649217674955 0.25000000000000 0.62500000000000 15.999 > 1 4 O 0.74649217674955 0.25000000000000 0.62500000000000 15.999 > 1 5 O 0.00350782325045 0.75000000000000 0.12500000000000 15.999 > 5 6 O 0.50350782325045 0.75000000000000 0.12500000000000 15.999 > 5 7 O 0.00350782325045 0.75000000000000 0.62500000000000 15.999 > 5 8 O 0.50350782325045 0.75000000000000 0.62500000000000 15.999 > 5 9 O 0.25350782325045 0.75000000000000 0.37500000000000 15.999 > 9 10 O 0.75350782325045 0.75000000000000 0.37500000000000 15.999 > 9 11 O 0.25350782325045 0.75000000000000 0.87500000000000 15.999 > 9 12 O 0.75350782325045 0.75000000000000 0.87500000000000 15.999 > 9 13 O 0.49649217674955 0.25000000000000 0.37500000000000 15.999 > 13 14 O 0.99649217674955 0.25000000000000 0.37500000000000 15.999 > 13 15 O 0.49649217674955 0.25000000000000 0.87500000000000 15.999 > 13 16 O 0.99649217674955 0.25000000000000 0.87500000000000 15.999 > 13 17 O 0.12500000000000 0.50000000000000 0.41192052804829 15.999 > 17 18 O 0.62500000000000 0.50000000000000 0.41192052804829 15.999 > 17 19 O 0.12500000000000 0.50000000000000 0.91192052804829 15.999 > 17 20 O 0.62500000000000 0.50000000000000 0.91192052804829 15.999 > 17 21 O 0.12500000000000 0.00000000000000 0.33807947195171 15.999 > 21 22 O 0.62500000000000 0.00000000000000 0.33807947195171 15.999 > 21 23 O 0.12500000000000 0.00000000000000 0.83807947195171 15.999 > 21 24 O 0.62500000000000 0.00000000000000 0.83807947195171 15.999 > 21 25 O 0.37500000000000 0.50000000000000 0.08807947195171 15.999 > 25 26 O 0.87500000000000 0.50000000000000 0.08807947195171 15.999 > 25 27 O 0.37500000000000 0.50000000000000 0.58807947195171 15.999 > 25 28 O 0.87500000000000 0.50000000000000 0.58807947195171 15.999 > 25 29 O 0.37500000000000 0.00000000000000 0.16192052804829 15.999 > 29 30 O 0.87500000000000 0.00000000000000 0.16192052804829 15.999 > 29 31 O 0.37500000000000 0.00000000000000 0.66192052804829 15.999 > 29 32 O 0.87500000000000 0.00000000000000 0.66192052804829 15.999 > 29 33 O 0.12500000000000 0.50000000000000 0.12290435381124 15.999 > 33 34 O 0.62500000000000 0.50000000000000 0.12290435381124 15.999 > 33 35 O 0.12500000000000 0.50000000000000 0.62290435381124 15.999 > 33 36 O 0.62500000000000 0.50000000000000 0.62290435381124 15.999 > 33 37 O 0.12500000000000 0.00000000000000 0.12709564618876 15.999 > 37 38 O 0.62500000000000 0.00000000000000 0.12709564618876 15.999 > 37 39 O 0.12500000000000 0.00000000000000 0.62709564618876 15.999 > 37 40 O 0.62500000000000 0.00000000000000 0.62709564618876 15.999 > 37 41 O 0.37500000000000 0.50000000000000 0.37709564618876 15.999 > 41 42 O 0.87500000000000 0.50000000000000 0.37709564618876 15.999 > 41 43 O 0.37500000000000 0.50000000000000 0.87709564618876 15.999 > 41 44 O 0.87500000000000 0.50000000000000 0.87709564618876 15.999 > 41 45 O 0.37500000000000 0.00000000000000 0.37290435381124 15.999 > 45 46 O 0.87500000000000 0.00000000000000 0.37290435381124 15.999 > 45 47 O 0.37500000000000 0.00000000000000 0.87290435381124 15.999 > 45 48 O 0.87500000000000 0.00000000000000 0.87290435381124 15.999 > 45 49 O 0.18629224598132 0.10591298546476 0.47466433283150 15.999 > 49 50 O 0.68629224598132 0.10591298546476 0.47466433283150 15.999 > 49 51 O 0.18629224598132 0.10591298546476 0.97466433283150 15.999 > 49 52 O 0.68629224598132 0.10591298546476 0.97466433283150 15.999 > 49 53 O 0.18629224598132 0.39408701453524 0.27533566716850 15.999 > 53 54 O 0.68629224598132 0.39408701453524 0.27533566716850 15.999 > 53 55 O 0.18629224598132 0.39408701453524 0.77533566716850 15.999 > 53 56 O 0.68629224598132 0.39408701453524 0.77533566716850 15.999 > 53 57 O 0.06370775401868 0.89408701453524 0.47466433283150 15.999 > 57 58 O 0.56370775401868 0.89408701453524 0.47466433283150 15.999 > 57 59 O 0.06370775401868 0.89408701453524 0.97466433283150 15.999 > 57 60 O 0.56370775401868 0.89408701453524 0.97466433283150 15.999 > 57 61 O 0.06370775401868 0.60591298546476 0.27533566716850 15.999 > 61 62 O 0.56370775401868 0.60591298546476 0.27533566716850 15.999 > 61 63 O 0.06370775401868 0.60591298546476 0.77533566716850 15.999 > 61 64 O 0.56370775401868 0.60591298546476 0.77533566716850 15.999 > 61 65 O 0.43629224598132 0.39408701453524 0.22466433283150 15.999 > 65 66 O 0.93629224598132 0.39408701453524 0.22466433283150 15.999 > 65 67 O 0.43629224598132 0.39408701453524 0.72466433283150 15.999 > 65 68 O 0.93629224598132 0.39408701453524 0.72466433283150 15.999 > 65 69 O 0.43629224598132 0.10591298546476 0.02533566716850 15.999 > 69 70 O 0.93629224598132 0.10591298546476 0.02533566716850 15.999 > 69 71 O 0.43629224598132 0.10591298546476 0.52533566716850 15.999 > 69 72 O 0.93629224598132 0.10591298546476 0.52533566716850 15.999 > 69 73 O 0.31370775401868 0.60591298546476 0.22466433283150 15.999 > 73 74 O 0.81370775401868 0.60591298546476 0.22466433283150 15.999 > 73 75 O 0.31370775401868 0.60591298546476 0.72466433283150 15.999 > 73 76 O 0.81370775401868 0.60591298546476 0.72466433283150 15.999 > 73 77 O 0.31370775401868 0.89408701453524 0.02533566716850 15.999 > 77 78 O 0.81370775401868 0.89408701453524 0.02533566716850 15.999 > 77 79 O 0.31370775401868 0.89408701453524 0.52533566716850 15.999 > 77 80 O 0.81370775401868 0.89408701453524 0.52533566716850 15.999 > 77 81 K 0.03296601661414 0.16711173020637 0.21180968843239 39.098 > 81 82 K 0.53296601661414 0.16711173020637 0.21180968843239 39.098 > 81 83 K 0.03296601661414 0.16711173020637 0.71180968843239 39.098 > 81 84 K 0.53296601661414 0.16711173020637 0.71180968843239 39.098 > 81 85 K 0.03296601661414 0.33288826979363 0.03819031156762 39.098 > 85 86 K 0.53296601661414 0.33288826979363 0.03819031156762 39.098 > 85 87 K 0.03296601661414 0.33288826979363 0.53819031156761 39.098 > 85 88 K 0.53296601661414 0.33288826979363 0.53819031156761 39.098 > 85 89 K 0.21703398338586 0.83288826979363 0.21180968843239 39.098 > 89 90 K 0.71703398338586 0.83288826979363 0.21180968843239 39.098 > 89 91 K 0.21703398338586 0.83288826979363 0.71180968843239 39.098 > 89 92 K 0.71703398338586 0.83288826979363 0.71180968843239 39.098 > 89 93 K 0.21703398338586 0.66711173020637 0.03819031156762 39.098 > 93 94 K 0.71703398338586 0.66711173020637 0.03819031156762 39.098 > 93 95 K 0.21703398338586 0.66711173020637 0.53819031156761 39.098 > 93 96 K 0.71703398338586 0.66711173020637 0.53819031156761 39.098 > 93 97 K 0.46703398338586 0.83288826979363 0.28819031156761 39.098 > 97 98 K 0.96703398338586 0.83288826979363 0.28819031156761 39.098 > 97 99 K 0.46703398338586 0.83288826979363 0.78819031156761 39.098 > 97 100 K 0.96703398338586 0.83288826979363 0.78819031156761 39.098 > 97 101 K 0.46703398338586 0.66711173020637 0.46180968843239 39.098 > 101 102 K 0.96703398338586 0.66711173020637 0.46180968843239 39.098 > 101 103 K 0.46703398338586 0.66711173020637 0.96180968843239 39.098 > 101 104 K 0.96703398338586 0.66711173020637 0.96180968843239 39.098 > 101 105 K 0.28296601661414 0.16711173020637 0.28819031156761 39.098 > 105 106 K 0.78296601661414 0.16711173020637 0.28819031156761 39.098 > 105 107 K 0.28296601661414 0.16711173020637 0.78819031156761 39.098 > 105 108 K 0.78296601661414 0.16711173020637 0.78819031156761 39.098 > 105 109 K 0.28296601661414 0.33288826979363 0.46180968843239 39.098 > 109 110 K 0.78296601661414 0.33288826979363 0.46180968843239 39.098 > 109 111 K 0.28296601661414 0.33288826979363 0.96180968843239 39.098 > 109 112 K 0.78296601661414 0.33288826979363 0.96180968843239 39.098 > 109 113 Zr 0.26621675294646 0.42354855313640 0.17024336818034 91.224 > 113 114 Zr 0.76621675294645 0.42354855313640 0.17024336818034 91.224 > 113 115 Zr 0.26621675294646 0.42354855313640 0.67024336818034 91.224 > 113 116 Zr 0.76621675294645 0.42354855313640 0.67024336818034 91.224 > 113 117 Zr 0.26621675294646 0.07645144686360 0.07975663181966 91.224 > 117 118 Zr 0.76621675294645 0.07645144686360 0.07975663181966 91.224 > 117 119 Zr 0.26621675294646 0.07645144686360 0.57975663181966 91.224 > 117 120 Zr 0.76621675294645 0.07645144686360 0.57975663181966 91.224 > 117 121 Zr 0.48378324705354 0.57645144686360 0.17024336818034 91.224 > 121 122 Zr 0.98378324705355 0.57645144686360 0.17024336818034 91.224 > 121 123 Zr 0.48378324705354 0.57645144686360 0.67024336818034 91.224 > 121 124 Zr 0.98378324705355 0.57645144686360 0.67024336818034 91.224 > 121 125 Zr 0.48378324705354 0.92354855313640 0.07975663181966 91.224 > 125 126 Zr 0.98378324705355 0.92354855313640 0.07975663181966 91.224 > 125 127 Zr 0.48378324705354 0.92354855313640 0.57975663181966 91.224 > 125 128 Zr 0.98378324705355 0.92354855313640 0.57975663181966 91.224 > 125 129 Zr 0.23378324705355 0.57645144686360 0.32975663181966 91.224 > 129 130 Zr 0.73378324705355 0.57645144686360 0.32975663181966 91.224 > 129 131 Zr 0.23378324705355 0.57645144686360 0.82975663181966 91.224 > 129 132 Zr 0.73378324705355 0.57645144686360 0.82975663181966 91.224 > 129 133 Zr 0.23378324705355 0.92354855313640 0.42024336818034 91.224 > 133 134 Zr 0.73378324705355 0.92354855313640 0.42024336818034 91.224 > 133 135 Zr 0.23378324705355 0.92354855313640 0.92024336818034 91.224 > 133 136 Zr 0.73378324705355 0.92354855313640 0.92024336818034 91.224 > 133 137 Zr 0.01621675294645 0.42354855313640 0.32975663181966 91.224 > 137 138 Zr 0.51621675294645 0.42354855313640 0.32975663181966 91.224 > 137 139 Zr 0.01621675294645 0.42354855313640 0.82975663181966 91.224 > 137 140 Zr 0.51621675294645 0.42354855313640 0.82975663181966 91.224 > 137 141 Zr 0.01621675294645 0.07645144686360 0.42024336818034 91.224 > 141 142 Zr 0.51621675294645 0.07645144686360 0.42024336818034 91.224 > 141 143 Zr 0.01621675294645 0.07645144686360 0.92024336818034 91.224 > 141 144 Zr 0.51621675294645 0.07645144686360 0.92024336818034 91.224 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1642523 0.0000000 0.0000000 0.0000000 3.8083705 0.0000000 0.0000000 0.0000000 3.6642424 -------------------------- Born effective charges -------------------------- 1 O -1.3427223 0.0000000 0.0000000 0.0000000 -4.6847816 -1.5089607 0.0000000 -1.9348251 -2.0085806 2 O -1.3427223 0.0000000 0.0000000 0.0000000 -4.6847816 1.5089607 0.0000000 1.9348251 -2.0085806 3 O -1.3427223 0.0000000 0.0000000 0.0000000 -4.6847816 -1.5089607 0.0000000 -1.9348251 -2.0085806 4 O -1.3427223 0.0000000 0.0000000 0.0000000 -4.6847816 1.5089607 0.0000000 1.9348251 -2.0085806 5 O -2.8869505 -0.7911169 0.0000000 -0.5477205 -1.7592299 0.0000000 0.0000000 0.0000000 -2.5506466 6 O -2.8869505 0.7911169 0.0000000 0.5477205 -1.7592299 0.0000000 0.0000000 0.0000000 -2.5506466 7 O -2.8869505 -0.7911169 0.0000000 -0.5477205 -1.7592299 0.0000000 0.0000000 0.0000000 -2.5506466 8 O -2.8869505 0.7911169 0.0000000 0.5477205 -1.7592299 0.0000000 0.0000000 0.0000000 -2.5506466 9 O -4.0412530 1.3693150 0.0000000 1.0012386 -1.8211565 0.0000000 0.0000000 0.0000000 -1.6924359 10 O -4.0412530 -1.3693150 0.0000000 -1.0012386 -1.8211565 0.0000000 0.0000000 0.0000000 -1.6924359 11 O -4.0412530 1.3693150 0.0000000 1.0012386 -1.8211565 0.0000000 0.0000000 0.0000000 -1.6924359 12 O -4.0412530 -1.3693150 0.0000000 -1.0012386 -1.8211565 0.0000000 0.0000000 0.0000000 -1.6924359 13 O -2.8321581 0.1375676 -1.1110347 0.1113431 -1.9372986 -0.2817217 -0.7462543 -0.2130754 -2.5413270 14 O -2.8321581 -0.1375676 1.1110347 -0.1113431 -1.9372986 -0.2817217 0.7462543 -0.2130754 -2.5413270 15 O -2.8321581 0.1375676 1.1110347 0.1113431 -1.9372986 0.2817217 0.7462543 0.2130754 -2.5413270 16 O -2.8321581 -0.1375676 -1.1110347 -0.1113431 -1.9372986 0.2817217 -0.7462543 0.2130754 -2.5413270 17 O -2.8321581 -0.1375676 -1.1110347 -0.1113431 -1.9372986 0.2817217 -0.7462543 0.2130754 -2.5413270 18 O -2.8321581 0.1375676 1.1110347 0.1113431 -1.9372986 0.2817217 0.7462543 0.2130754 -2.5413270 19 O -2.8321581 -0.1375676 1.1110347 -0.1113431 -1.9372986 -0.2817217 0.7462543 -0.2130754 -2.5413270 20 O -2.8321581 0.1375676 -1.1110347 0.1113431 -1.9372986 -0.2817217 -0.7462543 -0.2130754 -2.5413270 21 K 1.1045074 0.0094709 -0.0110161 0.0053108 1.3286309 0.1558991 0.0191097 0.2244662 1.2964880 22 K 1.1045074 -0.0094709 0.0110161 -0.0053108 1.3286309 0.1558991 -0.0191097 0.2244662 1.2964880 23 K 1.1045074 0.0094709 0.0110161 0.0053108 1.3286309 -0.1558991 -0.0191097 -0.2244662 1.2964880 24 K 1.1045074 -0.0094709 -0.0110161 -0.0053108 1.3286309 -0.1558991 0.0191097 -0.2244662 1.2964880 25 K 1.1045074 0.0094709 -0.0110161 0.0053108 1.3286309 0.1558991 0.0191097 0.2244662 1.2964880 26 K 1.1045074 -0.0094709 0.0110161 -0.0053108 1.3286309 0.1558991 -0.0191097 0.2244662 1.2964880 27 K 1.1045074 0.0094709 0.0110161 0.0053108 1.3286309 -0.1558991 -0.0191097 -0.2244662 1.2964880 28 K 1.1045074 -0.0094709 -0.0110161 -0.0053108 1.3286309 -0.1558991 0.0191097 -0.2244662 1.2964880 29 Zr 5.8631135 -0.0166694 -0.2577490 0.1549447 4.7412517 0.4221019 0.1920354 0.7797223 4.3706706 30 Zr 5.8631135 0.0166694 0.2577490 -0.1549447 4.7412517 0.4221019 -0.1920354 0.7797223 4.3706706 31 Zr 5.8631135 -0.0166694 0.2577490 0.1549447 4.7412517 -0.4221019 -0.1920354 -0.7797223 4.3706706 32 Zr 5.8631135 0.0166694 -0.2577490 -0.1549447 4.7412517 -0.4221019 0.1920354 -0.7797223 4.3706706 33 Zr 5.8631135 -0.0166694 -0.2577490 0.1549447 4.7412517 0.4221019 0.1920354 0.7797223 4.3706706 34 Zr 5.8631135 0.0166694 0.2577490 -0.1549447 4.7412517 0.4221019 -0.1920354 0.7797223 4.3706706 35 Zr 5.8631135 -0.0166694 0.2577490 0.1549447 4.7412517 -0.4221019 -0.1920354 -0.7797223 4.3706706 36 Zr 5.8631135 0.0166694 -0.2577490 -0.1549447 4.7412517 -0.4221019 0.1920354 -0.7797223 4.3706706 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:25:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:25:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.848044690000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.791397590000001 0.000000000000000 c 0.000000000000000 0.000000000000000 8.734915300000001 Atomic positions (fractional): 1 O 0.49298435349911 0.25000000000000 0.25000000000000 15.999 2 O 0.00701564650089 0.75000000000000 0.25000000000000 15.999 3 O 0.50701564650089 0.75000000000000 0.75000000000000 15.999 4 O 0.99298435349911 0.25000000000000 0.75000000000000 15.999 5 O 0.25000000000000 0.50000000000000 0.82384105609658 15.999 6 O 0.25000000000000 0.00000000000000 0.67615894390342 15.999 7 O 0.75000000000000 0.50000000000000 0.17615894390342 15.999 8 O 0.75000000000000 0.00000000000000 0.32384105609658 15.999 9 O 0.25000000000000 0.50000000000000 0.24580870762247 15.999 10 O 0.25000000000000 0.00000000000000 0.25419129237753 15.999 11 O 0.75000000000000 0.50000000000000 0.75419129237753 15.999 12 O 0.75000000000000 0.00000000000000 0.74580870762247 15.999 13 O 0.37258449196265 0.10591298546476 0.94932866566299 15.999 14 O 0.37258449196265 0.39408701453524 0.55067133433701 15.999 15 O 0.12741550803735 0.89408701453524 0.94932866566299 15.999 16 O 0.12741550803735 0.60591298546476 0.55067133433701 15.999 17 O 0.87258449196265 0.39408701453524 0.44932866566299 15.999 18 O 0.87258449196265 0.10591298546476 0.05067133433701 15.999 19 O 0.62741550803735 0.60591298546476 0.44932866566299 15.999 20 O 0.62741550803735 0.89408701453524 0.05067133433701 15.999 21 K 0.06593203322829 0.16711173020637 0.42361937686477 39.098 22 K 0.06593203322829 0.33288826979363 0.07638062313523 39.098 23 K 0.43406796677171 0.83288826979363 0.42361937686477 39.098 24 K 0.43406796677171 0.66711173020637 0.07638062313523 39.098 25 K 0.93406796677171 0.83288826979363 0.57638062313523 39.098 26 K 0.93406796677171 0.66711173020637 0.92361937686477 39.098 27 K 0.56593203322829 0.16711173020637 0.57638062313523 39.098 28 K 0.56593203322829 0.33288826979363 0.92361937686477 39.098 29 Zr 0.53243350589291 0.42354855313640 0.34048673636067 91.224 30 Zr 0.53243350589291 0.07645144686360 0.15951326363933 91.224 31 Zr 0.96756649410709 0.57645144686360 0.34048673636067 91.224 32 Zr 0.96756649410709 0.92354855313640 0.15951326363933 91.224 33 Zr 0.46756649410709 0.57645144686360 0.65951326363933 91.224 34 Zr 0.46756649410709 0.92354855313640 0.84048673636067 91.224 35 Zr 0.03243350589291 0.42354855313640 0.65951326363933 91.224 36 Zr 0.03243350589291 0.07645144686360 0.84048673636067 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.696089380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.791397590000001 0.000000000000000 c 0.000000000000000 0.000000000000000 17.469830600000002 Atomic positions (fractional): 1 O 0.24649217674955 0.25000000000000 0.12500000000000 15.999 > 1 2 O 0.74649217674955 0.25000000000000 0.12500000000000 15.999 > 1 3 O 0.24649217674955 0.25000000000000 0.62500000000000 15.999 > 1 4 O 0.74649217674955 0.25000000000000 0.62500000000000 15.999 > 1 5 O 0.00350782325045 0.75000000000000 0.12500000000000 15.999 > 5 6 O 0.50350782325045 0.75000000000000 0.12500000000000 15.999 > 5 7 O 0.00350782325045 0.75000000000000 0.62500000000000 15.999 > 5 8 O 0.50350782325045 0.75000000000000 0.62500000000000 15.999 > 5 9 O 0.25350782325045 0.75000000000000 0.37500000000000 15.999 > 9 10 O 0.75350782325045 0.75000000000000 0.37500000000000 15.999 > 9 11 O 0.25350782325045 0.75000000000000 0.87500000000000 15.999 > 9 12 O 0.75350782325045 0.75000000000000 0.87500000000000 15.999 > 9 13 O 0.49649217674955 0.25000000000000 0.37500000000000 15.999 > 13 14 O 0.99649217674955 0.25000000000000 0.37500000000000 15.999 > 13 15 O 0.49649217674955 0.25000000000000 0.87500000000000 15.999 > 13 16 O 0.99649217674955 0.25000000000000 0.87500000000000 15.999 > 13 17 O 0.12500000000000 0.50000000000000 0.41192052804829 15.999 > 17 18 O 0.62500000000000 0.50000000000000 0.41192052804829 15.999 > 17 19 O 0.12500000000000 0.50000000000000 0.91192052804829 15.999 > 17 20 O 0.62500000000000 0.50000000000000 0.91192052804829 15.999 > 17 21 O 0.12500000000000 0.00000000000000 0.33807947195171 15.999 > 21 22 O 0.62500000000000 0.00000000000000 0.33807947195171 15.999 > 21 23 O 0.12500000000000 0.00000000000000 0.83807947195171 15.999 > 21 24 O 0.62500000000000 0.00000000000000 0.83807947195171 15.999 > 21 25 O 0.37500000000000 0.50000000000000 0.08807947195171 15.999 > 25 26 O 0.87500000000000 0.50000000000000 0.08807947195171 15.999 > 25 27 O 0.37500000000000 0.50000000000000 0.58807947195171 15.999 > 25 28 O 0.87500000000000 0.50000000000000 0.58807947195171 15.999 > 25 29 O 0.37500000000000 0.00000000000000 0.16192052804829 15.999 > 29 30 O 0.87500000000000 0.00000000000000 0.16192052804829 15.999 > 29 31 O 0.37500000000000 0.00000000000000 0.66192052804829 15.999 > 29 32 O 0.87500000000000 0.00000000000000 0.66192052804829 15.999 > 29 33 O 0.12500000000000 0.50000000000000 0.12290435381124 15.999 > 33 34 O 0.62500000000000 0.50000000000000 0.12290435381124 15.999 > 33 35 O 0.12500000000000 0.50000000000000 0.62290435381124 15.999 > 33 36 O 0.62500000000000 0.50000000000000 0.62290435381124 15.999 > 33 37 O 0.12500000000000 0.00000000000000 0.12709564618876 15.999 > 37 38 O 0.62500000000000 0.00000000000000 0.12709564618876 15.999 > 37 39 O 0.12500000000000 0.00000000000000 0.62709564618876 15.999 > 37 40 O 0.62500000000000 0.00000000000000 0.62709564618876 15.999 > 37 41 O 0.37500000000000 0.50000000000000 0.37709564618876 15.999 > 41 42 O 0.87500000000000 0.50000000000000 0.37709564618876 15.999 > 41 43 O 0.37500000000000 0.50000000000000 0.87709564618876 15.999 > 41 44 O 0.87500000000000 0.50000000000000 0.87709564618876 15.999 > 41 45 O 0.37500000000000 0.00000000000000 0.37290435381124 15.999 > 45 46 O 0.87500000000000 0.00000000000000 0.37290435381124 15.999 > 45 47 O 0.37500000000000 0.00000000000000 0.87290435381124 15.999 > 45 48 O 0.87500000000000 0.00000000000000 0.87290435381124 15.999 > 45 49 O 0.18629224598132 0.10591298546476 0.47466433283150 15.999 > 49 50 O 0.68629224598132 0.10591298546476 0.47466433283150 15.999 > 49 51 O 0.18629224598132 0.10591298546476 0.97466433283150 15.999 > 49 52 O 0.68629224598132 0.10591298546476 0.97466433283150 15.999 > 49 53 O 0.18629224598132 0.39408701453524 0.27533566716850 15.999 > 53 54 O 0.68629224598132 0.39408701453524 0.27533566716850 15.999 > 53 55 O 0.18629224598132 0.39408701453524 0.77533566716850 15.999 > 53 56 O 0.68629224598132 0.39408701453524 0.77533566716850 15.999 > 53 57 O 0.06370775401868 0.89408701453524 0.47466433283150 15.999 > 57 58 O 0.56370775401868 0.89408701453524 0.47466433283150 15.999 > 57 59 O 0.06370775401868 0.89408701453524 0.97466433283150 15.999 > 57 60 O 0.56370775401868 0.89408701453524 0.97466433283150 15.999 > 57 61 O 0.06370775401868 0.60591298546476 0.27533566716850 15.999 > 61 62 O 0.56370775401868 0.60591298546476 0.27533566716850 15.999 > 61 63 O 0.06370775401868 0.60591298546476 0.77533566716850 15.999 > 61 64 O 0.56370775401868 0.60591298546476 0.77533566716850 15.999 > 61 65 O 0.43629224598132 0.39408701453524 0.22466433283150 15.999 > 65 66 O 0.93629224598132 0.39408701453524 0.22466433283150 15.999 > 65 67 O 0.43629224598132 0.39408701453524 0.72466433283150 15.999 > 65 68 O 0.93629224598132 0.39408701453524 0.72466433283150 15.999 > 65 69 O 0.43629224598132 0.10591298546476 0.02533566716850 15.999 > 69 70 O 0.93629224598132 0.10591298546476 0.02533566716850 15.999 > 69 71 O 0.43629224598132 0.10591298546476 0.52533566716850 15.999 > 69 72 O 0.93629224598132 0.10591298546476 0.52533566716850 15.999 > 69 73 O 0.31370775401868 0.60591298546476 0.22466433283150 15.999 > 73 74 O 0.81370775401868 0.60591298546476 0.22466433283150 15.999 > 73 75 O 0.31370775401868 0.60591298546476 0.72466433283150 15.999 > 73 76 O 0.81370775401868 0.60591298546476 0.72466433283150 15.999 > 73 77 O 0.31370775401868 0.89408701453524 0.02533566716850 15.999 > 77 78 O 0.81370775401868 0.89408701453524 0.02533566716850 15.999 > 77 79 O 0.31370775401868 0.89408701453524 0.52533566716850 15.999 > 77 80 O 0.81370775401868 0.89408701453524 0.52533566716850 15.999 > 77 81 K 0.03296601661414 0.16711173020637 0.21180968843239 39.098 > 81 82 K 0.53296601661414 0.16711173020637 0.21180968843239 39.098 > 81 83 K 0.03296601661414 0.16711173020637 0.71180968843239 39.098 > 81 84 K 0.53296601661414 0.16711173020637 0.71180968843239 39.098 > 81 85 K 0.03296601661414 0.33288826979363 0.03819031156762 39.098 > 85 86 K 0.53296601661414 0.33288826979363 0.03819031156762 39.098 > 85 87 K 0.03296601661414 0.33288826979363 0.53819031156761 39.098 > 85 88 K 0.53296601661414 0.33288826979363 0.53819031156761 39.098 > 85 89 K 0.21703398338586 0.83288826979363 0.21180968843239 39.098 > 89 90 K 0.71703398338586 0.83288826979363 0.21180968843239 39.098 > 89 91 K 0.21703398338586 0.83288826979363 0.71180968843239 39.098 > 89 92 K 0.71703398338586 0.83288826979363 0.71180968843239 39.098 > 89 93 K 0.21703398338586 0.66711173020637 0.03819031156762 39.098 > 93 94 K 0.71703398338586 0.66711173020637 0.03819031156762 39.098 > 93 95 K 0.21703398338586 0.66711173020637 0.53819031156761 39.098 > 93 96 K 0.71703398338586 0.66711173020637 0.53819031156761 39.098 > 93 97 K 0.46703398338586 0.83288826979363 0.28819031156761 39.098 > 97 98 K 0.96703398338586 0.83288826979363 0.28819031156761 39.098 > 97 99 K 0.46703398338586 0.83288826979363 0.78819031156761 39.098 > 97 100 K 0.96703398338586 0.83288826979363 0.78819031156761 39.098 > 97 101 K 0.46703398338586 0.66711173020637 0.46180968843239 39.098 > 101 102 K 0.96703398338586 0.66711173020637 0.46180968843239 39.098 > 101 103 K 0.46703398338586 0.66711173020637 0.96180968843239 39.098 > 101 104 K 0.96703398338586 0.66711173020637 0.96180968843239 39.098 > 101 105 K 0.28296601661414 0.16711173020637 0.28819031156761 39.098 > 105 106 K 0.78296601661414 0.16711173020637 0.28819031156761 39.098 > 105 107 K 0.28296601661414 0.16711173020637 0.78819031156761 39.098 > 105 108 K 0.78296601661414 0.16711173020637 0.78819031156761 39.098 > 105 109 K 0.28296601661414 0.33288826979363 0.46180968843239 39.098 > 109 110 K 0.78296601661414 0.33288826979363 0.46180968843239 39.098 > 109 111 K 0.28296601661414 0.33288826979363 0.96180968843239 39.098 > 109 112 K 0.78296601661414 0.33288826979363 0.96180968843239 39.098 > 109 113 Zr 0.26621675294646 0.42354855313640 0.17024336818034 91.224 > 113 114 Zr 0.76621675294645 0.42354855313640 0.17024336818034 91.224 > 113 115 Zr 0.26621675294646 0.42354855313640 0.67024336818034 91.224 > 113 116 Zr 0.76621675294645 0.42354855313640 0.67024336818034 91.224 > 113 117 Zr 0.26621675294646 0.07645144686360 0.07975663181966 91.224 > 117 118 Zr 0.76621675294645 0.07645144686360 0.07975663181966 91.224 > 117 119 Zr 0.26621675294646 0.07645144686360 0.57975663181966 91.224 > 117 120 Zr 0.76621675294645 0.07645144686360 0.57975663181966 91.224 > 117 121 Zr 0.48378324705354 0.57645144686360 0.17024336818034 91.224 > 121 122 Zr 0.98378324705355 0.57645144686360 0.17024336818034 91.224 > 121 123 Zr 0.48378324705354 0.57645144686360 0.67024336818034 91.224 > 121 124 Zr 0.98378324705355 0.57645144686360 0.67024336818034 91.224 > 121 125 Zr 0.48378324705354 0.92354855313640 0.07975663181966 91.224 > 125 126 Zr 0.98378324705355 0.92354855313640 0.07975663181966 91.224 > 125 127 Zr 0.48378324705354 0.92354855313640 0.57975663181966 91.224 > 125 128 Zr 0.98378324705355 0.92354855313640 0.57975663181966 91.224 > 125 129 Zr 0.23378324705355 0.57645144686360 0.32975663181966 91.224 > 129 130 Zr 0.73378324705355 0.57645144686360 0.32975663181966 91.224 > 129 131 Zr 0.23378324705355 0.57645144686360 0.82975663181966 91.224 > 129 132 Zr 0.73378324705355 0.57645144686360 0.82975663181966 91.224 > 129 133 Zr 0.23378324705355 0.92354855313640 0.42024336818034 91.224 > 133 134 Zr 0.73378324705355 0.92354855313640 0.42024336818034 91.224 > 133 135 Zr 0.23378324705355 0.92354855313640 0.92024336818034 91.224 > 133 136 Zr 0.73378324705355 0.92354855313640 0.92024336818034 91.224 > 133 137 Zr 0.01621675294645 0.42354855313640 0.32975663181966 91.224 > 137 138 Zr 0.51621675294645 0.42354855313640 0.32975663181966 91.224 > 137 139 Zr 0.01621675294645 0.42354855313640 0.82975663181966 91.224 > 137 140 Zr 0.51621675294645 0.42354855313640 0.82975663181966 91.224 > 137 141 Zr 0.01621675294645 0.07645144686360 0.42024336818034 91.224 > 141 142 Zr 0.51621675294645 0.07645144686360 0.42024336818034 91.224 > 141 143 Zr 0.01621675294645 0.07645144686360 0.92024336818034 91.224 > 141 144 Zr 0.51621675294645 0.07645144686360 0.92024336818034 91.224 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1642523 0.0000000 0.0000000 0.0000000 3.8083705 0.0000000 0.0000000 0.0000000 3.6642424 -------------------------- Born effective charges -------------------------- 1 O -1.3427223 0.0000000 0.0000000 0.0000000 -4.6847816 -1.5089607 0.0000000 -1.9348251 -2.0085806 2 O -1.3427223 0.0000000 0.0000000 0.0000000 -4.6847816 1.5089607 0.0000000 1.9348251 -2.0085806 3 O -1.3427223 0.0000000 0.0000000 0.0000000 -4.6847816 -1.5089607 0.0000000 -1.9348251 -2.0085806 4 O -1.3427223 0.0000000 0.0000000 0.0000000 -4.6847816 1.5089607 0.0000000 1.9348251 -2.0085806 5 O -2.8869505 -0.7911169 0.0000000 -0.5477205 -1.7592299 0.0000000 0.0000000 0.0000000 -2.5506466 6 O -2.8869505 0.7911169 0.0000000 0.5477205 -1.7592299 0.0000000 0.0000000 0.0000000 -2.5506466 7 O -2.8869505 -0.7911169 0.0000000 -0.5477205 -1.7592299 0.0000000 0.0000000 0.0000000 -2.5506466 8 O -2.8869505 0.7911169 0.0000000 0.5477205 -1.7592299 0.0000000 0.0000000 0.0000000 -2.5506466 9 O -4.0412530 1.3693150 0.0000000 1.0012386 -1.8211565 0.0000000 0.0000000 0.0000000 -1.6924359 10 O -4.0412530 -1.3693150 0.0000000 -1.0012386 -1.8211565 0.0000000 0.0000000 0.0000000 -1.6924359 11 O -4.0412530 1.3693150 0.0000000 1.0012386 -1.8211565 0.0000000 0.0000000 0.0000000 -1.6924359 12 O -4.0412530 -1.3693150 0.0000000 -1.0012386 -1.8211565 0.0000000 0.0000000 0.0000000 -1.6924359 13 O -2.8321581 0.1375676 -1.1110347 0.1113431 -1.9372986 -0.2817217 -0.7462543 -0.2130754 -2.5413270 14 O -2.8321581 -0.1375676 1.1110347 -0.1113431 -1.9372986 -0.2817217 0.7462543 -0.2130754 -2.5413270 15 O -2.8321581 0.1375676 1.1110347 0.1113431 -1.9372986 0.2817217 0.7462543 0.2130754 -2.5413270 16 O -2.8321581 -0.1375676 -1.1110347 -0.1113431 -1.9372986 0.2817217 -0.7462543 0.2130754 -2.5413270 17 O -2.8321581 -0.1375676 -1.1110347 -0.1113431 -1.9372986 0.2817217 -0.7462543 0.2130754 -2.5413270 18 O -2.8321581 0.1375676 1.1110347 0.1113431 -1.9372986 0.2817217 0.7462543 0.2130754 -2.5413270 19 O -2.8321581 -0.1375676 1.1110347 -0.1113431 -1.9372986 -0.2817217 0.7462543 -0.2130754 -2.5413270 20 O -2.8321581 0.1375676 -1.1110347 0.1113431 -1.9372986 -0.2817217 -0.7462543 -0.2130754 -2.5413270 21 K 1.1045074 0.0094709 -0.0110161 0.0053108 1.3286309 0.1558991 0.0191097 0.2244662 1.2964880 22 K 1.1045074 -0.0094709 0.0110161 -0.0053108 1.3286309 0.1558991 -0.0191097 0.2244662 1.2964880 23 K 1.1045074 0.0094709 0.0110161 0.0053108 1.3286309 -0.1558991 -0.0191097 -0.2244662 1.2964880 24 K 1.1045074 -0.0094709 -0.0110161 -0.0053108 1.3286309 -0.1558991 0.0191097 -0.2244662 1.2964880 25 K 1.1045074 0.0094709 -0.0110161 0.0053108 1.3286309 0.1558991 0.0191097 0.2244662 1.2964880 26 K 1.1045074 -0.0094709 0.0110161 -0.0053108 1.3286309 0.1558991 -0.0191097 0.2244662 1.2964880 27 K 1.1045074 0.0094709 0.0110161 0.0053108 1.3286309 -0.1558991 -0.0191097 -0.2244662 1.2964880 28 K 1.1045074 -0.0094709 -0.0110161 -0.0053108 1.3286309 -0.1558991 0.0191097 -0.2244662 1.2964880 29 Zr 5.8631135 -0.0166694 -0.2577490 0.1549447 4.7412517 0.4221019 0.1920354 0.7797223 4.3706706 30 Zr 5.8631135 0.0166694 0.2577490 -0.1549447 4.7412517 0.4221019 -0.1920354 0.7797223 4.3706706 31 Zr 5.8631135 -0.0166694 0.2577490 0.1549447 4.7412517 -0.4221019 -0.1920354 -0.7797223 4.3706706 32 Zr 5.8631135 0.0166694 -0.2577490 -0.1549447 4.7412517 -0.4221019 0.1920354 -0.7797223 4.3706706 33 Zr 5.8631135 -0.0166694 -0.2577490 0.1549447 4.7412517 0.4221019 0.1920354 0.7797223 4.3706706 34 Zr 5.8631135 0.0166694 0.2577490 -0.1549447 4.7412517 0.4221019 -0.1920354 0.7797223 4.3706706 35 Zr 5.8631135 -0.0166694 0.2577490 0.1549447 4.7412517 -0.4221019 -0.1920354 -0.7797223 4.3706706 36 Zr 5.8631135 0.0166694 -0.2577490 -0.1549447 4.7412517 -0.4221019 0.1920354 -0.7797223 4.3706706 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (zzz) 0.00000001 (zzz) 0.00000001 (zzz) Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 5 6 ] 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: 0.51, Number of G-points: 299, Lambda: 0.10 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 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 1.242 ( 0.000 0.000 0.000) 0.000 1.529 ( 0.000 0.000 0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.401 ( 0.000 0.000 0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.284 ( 0.000 0.000 0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 4.008 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.348 ( 0.000 0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.556 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 5.279 ( 0.000 0.000 0.000) 0.000 5.298 ( 0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.435 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.798 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.071 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 6.869 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.016 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.138 ( 0.000 0.000 0.000) 0.000 7.226 ( 0.000 0.000 0.000) 0.000 7.444 ( 0.000 0.000 0.000) 0.000 7.646 ( 0.000 0.000 0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 7.829 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 8.040 ( 0.000 0.000 0.000) 0.000 8.110 ( 0.000 0.000 0.000) 0.000 8.341 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.655 ( 0.000 0.000 0.000) 0.000 8.683 ( 0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.374 ( 0.000 0.000 0.000) 0.000 9.560 ( 0.000 0.000 0.000) 0.000 9.599 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 9.747 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 9.915 ( 0.000 0.000 0.000) 0.000 10.552 ( 0.000 0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 11.281 ( 0.000 0.000 0.000) 0.000 11.447 ( 0.000 0.000 0.000) 0.000 11.681 ( 0.000 0.000 0.000) 0.000 11.692 ( 0.000 0.000 0.000) 0.000 11.739 ( 0.000 0.000 0.000) 0.000 12.195 ( 0.000 0.000 0.000) 0.000 12.283 ( 0.000 0.000 0.000) 0.000 12.433 ( 0.000 0.000 0.000) 0.000 12.454 ( 0.000 0.000 0.000) 0.000 12.536 ( 0.000 0.000 0.000) 0.000 12.850 ( 0.000 0.000 0.000) 0.000 12.904 ( 0.000 0.000 0.000) 0.000 13.025 ( 0.000 0.000 0.000) 0.000 13.154 ( 0.000 0.000 0.000) 0.000 13.293 ( 0.000 0.000 0.000) 0.000 13.749 ( 0.000 0.000 0.000) 0.000 14.019 ( 0.000 0.000 0.000) 0.000 14.315 ( 0.000 0.000 0.000) 0.000 14.501 ( 0.000 0.000 0.000) 0.000 14.545 ( 0.000 0.000 0.000) 0.000 14.617 ( 0.000 0.000 0.000) 0.000 14.716 ( 0.000 0.000 0.000) 0.000 14.759 ( 0.000 0.000 0.000) 0.000 15.981 ( 0.000 0.000 0.000) 0.000 16.358 ( 0.000 0.000 0.000) 0.000 16.399 ( 0.000 0.000 0.000) 0.000 16.438 ( 0.000 0.000 0.000) 0.000 16.565 ( 0.000 0.000 0.000) 0.000 19.694 ( 0.000 0.000 0.000) 0.000 20.360 ( 0.000 0.000 0.000) 0.000 20.747 ( 0.000 0.000 0.000) 0.000 21.289 ( 0.000 0.000 0.000) 0.000 21.653 ( 0.000 0.000 0.000) 0.000 21.825 ( 0.000 0.000 0.000) 0.000 22.476 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.11 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 29.191 0.000 0.000) 29.191 0.562 ( 29.639 0.000 0.000) 29.639 1.182 ( 60.022 0.000 0.000) 60.022 1.391 ( 7.832 0.000 0.000) 7.832 1.523 ( -0.347 0.000 0.000) 0.347 1.608 ( 3.057 0.000 0.000) 3.057 1.630 ( -6.779 0.000 0.000) 6.779 2.210 ( 3.215 0.000 0.000) 3.215 2.288 ( 9.838 0.000 0.000) 9.838 2.297 ( 12.041 0.000 0.000) 12.041 2.518 ( 10.099 0.000 0.000) 10.099 2.643 ( -5.058 0.000 0.000) 5.058 2.758 ( 3.627 0.000 0.000) 3.627 2.792 ( 9.324 0.000 0.000) 9.324 2.974 ( -1.048 0.000 0.000) 1.048 2.977 ( -0.517 0.000 0.000) 0.517 3.032 ( 8.798 0.000 0.000) 8.798 3.210 ( -1.186 0.000 0.000) 1.186 3.367 ( -12.709 0.000 0.000) 12.709 3.383 ( 10.869 0.000 0.000) 10.869 3.466 ( -2.904 0.000 0.000) 2.904 3.477 ( 0.435 0.000 0.000) 0.435 3.774 ( 7.079 0.000 0.000) 7.079 3.955 ( -5.305 0.000 0.000) 5.305 4.066 ( -6.547 0.000 0.000) 6.547 4.369 ( 1.416 0.000 0.000) 1.416 4.530 ( -3.094 0.000 0.000) 3.094 4.535 ( 4.553 0.000 0.000) 4.553 4.568 ( -4.640 0.000 0.000) 4.640 4.583 ( -6.407 0.000 0.000) 6.407 4.792 ( -4.912 0.000 0.000) 4.912 4.855 ( -1.586 0.000 0.000) 1.586 5.217 ( -3.561 0.000 0.000) 3.561 5.273 ( -1.571 0.000 0.000) 1.571 5.404 ( -0.250 0.000 0.000) 0.250 5.468 ( -0.942 0.000 0.000) 0.942 5.534 ( 7.385 0.000 0.000) 7.385 5.735 ( -2.863 0.000 0.000) 2.863 5.867 ( 6.024 0.000 0.000) 6.024 6.003 ( 2.595 0.000 0.000) 2.595 6.024 ( -4.134 0.000 0.000) 4.134 6.140 ( -4.424 0.000 0.000) 4.424 6.239 ( 1.393 0.000 0.000) 1.393 6.433 ( -6.978 0.000 0.000) 6.978 6.550 ( 2.825 0.000 0.000) 2.825 6.867 ( -1.248 0.000 0.000) 1.248 6.872 ( -10.897 0.000 0.000) 10.897 6.967 ( 9.752 0.000 0.000) 9.752 7.063 ( 2.764 0.000 0.000) 2.764 7.221 ( 8.396 0.000 0.000) 8.396 7.231 ( 1.053 0.000 0.000) 1.053 7.495 ( -3.854 0.000 0.000) 3.854 7.497 ( 4.915 0.000 0.000) 4.915 7.819 ( -1.292 0.000 0.000) 1.292 7.843 ( 2.034 0.000 0.000) 2.034 7.861 ( 7.331 0.000 0.000) 7.331 8.015 ( 21.059 0.000 0.000) 21.059 8.172 ( 6.165 0.000 0.000) 6.165 8.269 ( -10.131 0.000 0.000) 10.131 8.373 ( 2.988 0.000 0.000) 2.988 8.463 ( -18.614 0.000 0.000) 18.614 8.618 ( -5.520 0.000 0.000) 5.520 9.001 ( -6.497 0.000 0.000) 6.497 9.199 ( -10.679 0.000 0.000) 10.679 9.209 ( -6.075 0.000 0.000) 6.075 9.715 ( -11.730 0.000 0.000) 11.730 9.823 ( 7.969 0.000 0.000) 7.969 9.894 ( -2.121 0.000 0.000) 2.121 9.936 ( 16.146 0.000 0.000) 16.146 10.092 ( 26.475 0.000 0.000) 26.475 10.404 ( 11.704 0.000 0.000) 11.704 10.544 ( 0.641 0.000 0.000) 0.641 11.274 ( -1.660 0.000 0.000) 1.660 11.387 ( -10.050 0.000 0.000) 10.050 11.563 ( -4.973 0.000 0.000) 4.973 11.584 ( -15.943 0.000 0.000) 15.943 11.719 ( 4.485 0.000 0.000) 4.485 12.008 ( -21.945 0.000 0.000) 21.945 12.184 ( -0.474 0.000 0.000) 0.474 12.289 ( 5.350 0.000 0.000) 5.350 12.466 ( -0.065 0.000 0.000) 0.065 12.499 ( 3.845 0.000 0.000) 3.845 12.912 ( 13.873 0.000 0.000) 13.873 12.986 ( 8.427 0.000 0.000) 8.427 13.013 ( 3.316 0.000 0.000) 3.316 13.106 ( 20.119 0.000 0.000) 20.119 13.166 ( 1.556 0.000 0.000) 1.556 13.674 ( -6.899 0.000 0.000) 6.899 13.989 ( -2.657 0.000 0.000) 2.657 14.173 ( -13.570 0.000 0.000) 13.570 14.443 ( -6.233 0.000 0.000) 6.233 14.515 ( -1.967 0.000 0.000) 1.967 14.679 ( 5.912 0.000 0.000) 5.912 14.701 ( -6.163 0.000 0.000) 6.163 14.770 ( 5.482 0.000 0.000) 5.482 15.970 ( -1.070 0.000 0.000) 1.070 16.289 ( -6.749 0.000 0.000) 6.749 16.342 ( -4.899 0.000 0.000) 4.899 16.441 ( -0.776 0.000 0.000) 0.776 16.561 ( -0.574 0.000 0.000) 0.574 17.679 ( 6.424 0.000 0.000) 6.424 19.446 ( -21.505 0.000 0.000) 21.505 20.952 ( 17.063 0.000 0.000) 17.063 21.187 ( -9.689 0.000 0.000) 9.689 21.340 ( -18.755 0.000 0.000) 18.755 22.110 ( -4.021 0.000 0.000) 4.021 22.147 ( 19.651 0.000 0.000) 19.651 22.538 ( 5.788 0.000 0.000) 5.788 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.22 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 25.653 0.000 0.000) 25.653 1.092 ( 23.287 0.000 0.000) 23.287 1.296 ( -9.274 0.000 0.000) 9.274 1.545 ( 4.938 0.000 0.000) 4.938 1.661 ( 2.513 0.000 0.000) 2.513 1.712 ( 8.021 0.000 0.000) 8.021 2.161 ( 31.787 0.000 0.000) 31.787 2.376 ( 19.829 0.000 0.000) 19.829 2.558 ( -3.725 0.000 0.000) 3.725 2.580 ( 20.932 0.000 0.000) 20.932 2.608 ( 18.966 0.000 0.000) 18.966 2.729 ( 12.877 0.000 0.000) 12.877 2.835 ( 5.333 0.000 0.000) 5.333 2.983 ( -1.482 0.000 0.000) 1.482 2.985 ( 4.226 0.000 0.000) 4.226 2.994 ( 9.047 0.000 0.000) 9.047 3.112 ( -13.194 0.000 0.000) 13.194 3.188 ( 5.175 0.000 0.000) 5.175 3.189 ( 1.432 0.000 0.000) 1.432 3.420 ( 0.639 0.000 0.000) 0.639 3.524 ( 5.602 0.000 0.000) 5.602 3.596 ( 8.929 0.000 0.000) 8.929 3.825 ( -7.556 0.000 0.000) 7.556 3.882 ( 3.971 0.000 0.000) 3.971 3.976 ( -0.894 0.000 0.000) 0.894 4.383 ( -0.799 0.000 0.000) 0.799 4.397 ( -10.963 0.000 0.000) 10.963 4.446 ( -7.252 0.000 0.000) 7.252 4.452 ( -7.034 0.000 0.000) 7.034 4.586 ( -0.031 0.000 0.000) 0.031 4.693 ( -4.177 0.000 0.000) 4.177 4.811 ( -3.464 0.000 0.000) 3.464 5.179 ( -0.847 0.000 0.000) 0.847 5.277 ( 2.693 0.000 0.000) 2.693 5.362 ( -6.089 0.000 0.000) 6.089 5.465 ( 0.342 0.000 0.000) 0.342 5.663 ( 5.432 0.000 0.000) 5.432 5.668 ( -2.125 0.000 0.000) 2.125 5.951 ( -3.168 0.000 0.000) 3.168 5.969 ( 3.551 0.000 0.000) 3.551 6.013 ( -8.173 0.000 0.000) 8.173 6.033 ( 0.273 0.000 0.000) 0.273 6.329 ( -2.781 0.000 0.000) 2.781 6.331 ( 7.975 0.000 0.000) 7.975 6.625 ( 4.805 0.000 0.000) 4.805 6.638 ( -13.335 0.000 0.000) 13.335 6.800 ( -5.690 0.000 0.000) 5.690 7.029 ( -1.087 0.000 0.000) 1.087 7.114 ( 1.961 0.000 0.000) 1.961 7.160 ( -5.449 0.000 0.000) 5.449 7.350 ( 4.254 0.000 0.000) 4.254 7.531 ( 3.930 0.000 0.000) 3.930 7.601 ( 5.383 0.000 0.000) 5.383 7.753 ( -6.895 0.000 0.000) 6.895 7.866 ( 0.479 0.000 0.000) 0.479 7.971 ( 4.760 0.000 0.000) 4.760 8.020 ( -13.747 0.000 0.000) 13.747 8.027 ( -19.371 0.000 0.000) 19.371 8.317 ( 7.788 0.000 0.000) 7.788 8.438 ( 3.700 0.000 0.000) 3.700 8.453 ( -9.372 0.000 0.000) 9.372 8.749 ( 44.547 0.000 0.000) 44.547 8.753 ( -14.799 0.000 0.000) 14.799 9.215 ( 9.976 0.000 0.000) 9.976 9.258 ( 7.226 0.000 0.000) 7.226 9.462 ( -14.465 0.000 0.000) 14.465 9.805 ( -10.483 0.000 0.000) 10.483 9.848 ( -2.539 0.000 0.000) 2.539 10.237 ( 13.037 0.000 0.000) 13.037 10.521 ( 15.947 0.000 0.000) 15.947 10.635 ( 11.749 0.000 0.000) 11.749 10.644 ( 9.662 0.000 0.000) 9.662 11.148 ( -9.305 0.000 0.000) 9.305 11.214 ( -3.415 0.000 0.000) 3.415 11.274 ( -12.979 0.000 0.000) 12.979 11.550 ( 0.883 0.000 0.000) 0.883 11.667 ( -13.817 0.000 0.000) 13.817 11.818 ( 3.557 0.000 0.000) 3.557 12.270 ( 7.027 0.000 0.000) 7.027 12.333 ( -0.201 0.000 0.000) 0.201 12.452 ( -0.405 0.000 0.000) 0.405 12.555 ( 1.051 0.000 0.000) 1.051 12.879 ( -6.417 0.000 0.000) 6.417 13.177 ( 9.368 0.000 0.000) 9.368 13.229 ( 5.285 0.000 0.000) 5.285 13.244 ( 9.002 0.000 0.000) 9.002 13.443 ( 12.707 0.000 0.000) 12.707 13.549 ( -4.044 0.000 0.000) 4.044 13.869 ( -16.539 0.000 0.000) 16.539 13.957 ( 0.992 0.000 0.000) 0.992 14.271 ( -11.234 0.000 0.000) 11.234 14.531 ( 5.229 0.000 0.000) 5.229 14.544 ( -9.174 0.000 0.000) 9.174 14.818 ( 8.341 0.000 0.000) 8.341 14.914 ( 9.453 0.000 0.000) 9.453 15.939 ( -2.270 0.000 0.000) 2.270 16.122 ( -10.544 0.000 0.000) 10.544 16.214 ( -8.966 0.000 0.000) 8.966 16.409 ( -2.144 0.000 0.000) 2.144 16.534 ( -2.453 0.000 0.000) 2.453 17.820 ( 7.785 0.000 0.000) 7.785 19.008 ( -22.737 0.000 0.000) 22.737 20.969 ( -12.052 0.000 0.000) 12.052 21.018 ( -14.740 0.000 0.000) 14.740 21.274 ( 15.398 0.000 0.000) 15.398 22.010 ( -6.077 0.000 0.000) 6.077 22.487 ( 15.578 0.000 0.000) 15.578 22.665 ( 6.907 0.000 0.000) 6.907 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.33 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -3.061 0.000 0.000) 3.061 1.291 ( 0.180 0.000 0.000) 0.180 1.458 ( 11.461 0.000 0.000) 11.461 1.665 ( 0.969 0.000 0.000) 0.969 1.880 ( 24.106 0.000 0.000) 24.106 1.938 ( 17.373 0.000 0.000) 17.373 2.400 ( 5.560 0.000 0.000) 5.560 2.492 ( -3.203 0.000 0.000) 3.203 2.628 ( 2.280 0.000 0.000) 2.280 2.805 ( -6.993 0.000 0.000) 6.993 2.884 ( -6.988 0.000 0.000) 6.988 2.986 ( 15.367 0.000 0.000) 15.367 3.004 ( 11.844 0.000 0.000) 11.844 3.029 ( 11.360 0.000 0.000) 11.360 3.032 ( 11.074 0.000 0.000) 11.074 3.049 ( -3.233 0.000 0.000) 3.233 3.214 ( 4.865 0.000 0.000) 4.865 3.277 ( 6.009 0.000 0.000) 6.009 3.301 ( 24.990 0.000 0.000) 24.990 3.567 ( 12.165 0.000 0.000) 12.165 3.636 ( -2.149 0.000 0.000) 2.149 3.653 ( -1.498 0.000 0.000) 1.498 3.796 ( 14.375 0.000 0.000) 14.375 3.922 ( 0.566 0.000 0.000) 0.566 4.082 ( 10.184 0.000 0.000) 10.184 4.177 ( -11.677 0.000 0.000) 11.677 4.293 ( -7.803 0.000 0.000) 7.803 4.322 ( -6.212 0.000 0.000) 6.212 4.324 ( -4.368 0.000 0.000) 4.368 4.519 ( -6.985 0.000 0.000) 6.985 4.668 ( 1.547 0.000 0.000) 1.547 4.705 ( -7.464 0.000 0.000) 7.464 5.137 ( -16.343 0.000 0.000) 16.343 5.142 ( -4.336 0.000 0.000) 4.336 5.384 ( 8.238 0.000 0.000) 8.238 5.471 ( 0.398 0.000 0.000) 0.398 5.707 ( 5.103 0.000 0.000) 5.103 5.708 ( -1.872 0.000 0.000) 1.872 5.890 ( -3.640 0.000 0.000) 3.640 5.899 ( -1.645 0.000 0.000) 1.645 5.994 ( -0.519 0.000 0.000) 0.519 6.023 ( -0.936 0.000 0.000) 0.936 6.317 ( -0.217 0.000 0.000) 0.217 6.393 ( -11.487 0.000 0.000) 11.487 6.510 ( 9.564 0.000 0.000) 9.564 6.685 ( -4.333 0.000 0.000) 4.333 6.705 ( 2.650 0.000 0.000) 2.650 6.988 ( -1.800 0.000 0.000) 1.800 7.051 ( -6.647 0.000 0.000) 6.647 7.122 ( -1.194 0.000 0.000) 1.194 7.382 ( -1.649 0.000 0.000) 1.649 7.547 ( -12.338 0.000 0.000) 12.338 7.597 ( 3.431 0.000 0.000) 3.431 7.686 ( 3.424 0.000 0.000) 3.424 7.691 ( -10.110 0.000 0.000) 10.110 7.819 ( -8.041 0.000 0.000) 8.041 7.940 ( 4.159 0.000 0.000) 4.159 8.040 ( 2.194 0.000 0.000) 2.194 8.307 ( -6.307 0.000 0.000) 6.307 8.334 ( -9.143 0.000 0.000) 9.143 8.534 ( 7.180 0.000 0.000) 7.180 8.619 ( 4.255 0.000 0.000) 4.255 9.188 ( -13.649 0.000 0.000) 13.649 9.376 ( -3.122 0.000 0.000) 3.122 9.493 ( 17.784 0.000 0.000) 17.784 9.533 ( -8.371 0.000 0.000) 8.371 9.562 ( 37.858 0.000 0.000) 37.858 9.800 ( -2.672 0.000 0.000) 2.672 10.350 ( -2.224 0.000 0.000) 2.224 10.603 ( -4.611 0.000 0.000) 4.611 10.827 ( 7.415 0.000 0.000) 7.415 10.829 ( 8.128 0.000 0.000) 8.128 11.156 ( 7.170 0.000 0.000) 7.170 11.161 ( 1.174 0.000 0.000) 1.174 11.208 ( 3.628 0.000 0.000) 3.628 11.465 ( -8.013 0.000 0.000) 8.013 11.566 ( 0.630 0.000 0.000) 0.630 11.791 ( -6.373 0.000 0.000) 6.373 12.318 ( -0.360 0.000 0.000) 0.360 12.362 ( 1.915 0.000 0.000) 1.915 12.523 ( 8.945 0.000 0.000) 8.945 12.526 ( -3.877 0.000 0.000) 3.877 12.732 ( -8.851 0.000 0.000) 8.851 13.260 ( -7.575 0.000 0.000) 7.575 13.269 ( 1.401 0.000 0.000) 1.401 13.344 ( 5.415 0.000 0.000) 5.415 13.545 ( -0.230 0.000 0.000) 0.230 13.587 ( 6.887 0.000 0.000) 6.887 13.611 ( -9.181 0.000 0.000) 9.181 14.044 ( -11.911 0.000 0.000) 11.911 14.064 ( 8.853 0.000 0.000) 8.853 14.400 ( -5.416 0.000 0.000) 5.416 14.739 ( 15.838 0.000 0.000) 15.838 14.985 ( 8.968 0.000 0.000) 8.968 15.120 ( 12.042 0.000 0.000) 12.042 15.876 ( -4.704 0.000 0.000) 4.704 15.896 ( -13.055 0.000 0.000) 13.055 16.003 ( -12.519 0.000 0.000) 12.519 16.375 ( -1.225 0.000 0.000) 1.225 16.469 ( -4.107 0.000 0.000) 4.107 17.965 ( 7.581 0.000 0.000) 7.581 18.617 ( -18.119 0.000 0.000) 18.119 20.766 ( -8.663 0.000 0.000) 8.663 20.788 ( -9.417 0.000 0.000) 9.417 21.517 ( 10.221 0.000 0.000) 10.221 21.893 ( -6.041 0.000 0.000) 6.041 22.726 ( 9.394 0.000 0.000) 9.394 22.783 ( 5.230 0.000 0.000) 5.230 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.44 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 2.505 0.000 0.000) 2.505 1.242 ( -3.968 0.000 0.000) 3.968 1.592 ( 4.540 0.000 0.000) 4.540 1.653 ( -1.978 0.000 0.000) 1.978 2.278 ( 14.781 0.000 0.000) 14.781 2.313 ( 16.289 0.000 0.000) 16.289 2.446 ( 0.102 0.000 0.000) 0.102 2.449 ( -1.046 0.000 0.000) 1.046 2.660 ( -3.356 0.000 0.000) 3.356 2.665 ( 3.155 0.000 0.000) 3.155 2.754 ( -6.030 0.000 0.000) 6.030 2.831 ( -14.594 0.000 0.000) 14.594 3.120 ( 2.549 0.000 0.000) 2.549 3.165 ( 0.206 0.000 0.000) 0.206 3.209 ( 7.669 0.000 0.000) 7.669 3.230 ( 8.796 0.000 0.000) 8.796 3.360 ( 2.272 0.000 0.000) 2.272 3.456 ( -5.535 0.000 0.000) 5.535 3.534 ( 21.537 0.000 0.000) 21.537 3.640 ( 2.156 0.000 0.000) 2.156 3.668 ( 3.626 0.000 0.000) 3.626 3.799 ( 11.094 0.000 0.000) 11.094 3.891 ( -11.218 0.000 0.000) 11.218 3.948 ( -7.365 0.000 0.000) 7.365 4.094 ( 9.700 0.000 0.000) 9.700 4.200 ( -1.505 0.000 0.000) 1.505 4.227 ( -3.596 0.000 0.000) 3.596 4.234 ( 0.364 0.000 0.000) 0.364 4.325 ( 5.100 0.000 0.000) 5.100 4.366 ( -4.674 0.000 0.000) 4.674 4.611 ( 1.382 0.000 0.000) 1.382 4.759 ( 9.284 0.000 0.000) 9.284 4.805 ( -16.576 0.000 0.000) 16.576 4.988 ( -11.652 0.000 0.000) 11.652 5.505 ( 3.960 0.000 0.000) 3.960 5.566 ( 10.081 0.000 0.000) 10.081 5.614 ( -6.452 0.000 0.000) 6.452 5.732 ( -5.992 0.000 0.000) 5.992 5.878 ( 4.639 0.000 0.000) 4.639 5.938 ( 3.893 0.000 0.000) 3.893 5.961 ( -3.042 0.000 0.000) 3.042 6.000 ( -1.970 0.000 0.000) 1.970 6.237 ( -3.920 0.000 0.000) 3.920 6.258 ( -4.721 0.000 0.000) 4.721 6.648 ( 4.571 0.000 0.000) 4.571 6.708 ( -1.992 0.000 0.000) 1.992 6.718 ( 7.402 0.000 0.000) 7.402 6.894 ( -9.614 0.000 0.000) 9.614 7.003 ( 3.375 0.000 0.000) 3.375 7.075 ( -3.433 0.000 0.000) 3.433 7.319 ( -1.966 0.000 0.000) 1.966 7.363 ( -6.400 0.000 0.000) 6.400 7.625 ( 1.187 0.000 0.000) 1.187 7.672 ( 4.158 0.000 0.000) 4.158 7.690 ( -5.353 0.000 0.000) 5.353 7.721 ( -0.261 0.000 0.000) 0.261 8.051 ( 7.006 0.000 0.000) 7.006 8.064 ( 1.398 0.000 0.000) 1.398 8.144 ( -7.815 0.000 0.000) 7.815 8.187 ( -6.822 0.000 0.000) 6.822 8.727 ( 12.989 0.000 0.000) 12.989 8.762 ( 8.518 0.000 0.000) 8.518 8.959 ( -10.147 0.000 0.000) 10.147 9.057 ( -18.924 0.000 0.000) 18.924 9.622 ( 7.287 0.000 0.000) 7.287 9.735 ( -4.500 0.000 0.000) 4.500 9.843 ( 18.011 0.000 0.000) 18.011 10.090 ( 6.191 0.000 0.000) 6.191 10.233 ( 2.894 0.000 0.000) 2.894 10.469 ( -9.712 0.000 0.000) 9.712 10.914 ( 2.557 0.000 0.000) 2.557 10.926 ( 1.893 0.000 0.000) 1.893 11.250 ( 5.756 0.000 0.000) 5.756 11.276 ( 4.723 0.000 0.000) 4.723 11.300 ( 3.368 0.000 0.000) 3.368 11.347 ( -4.916 0.000 0.000) 4.916 11.571 ( 0.170 0.000 0.000) 0.170 11.633 ( -7.642 0.000 0.000) 7.642 12.345 ( 3.340 0.000 0.000) 3.340 12.416 ( 5.002 0.000 0.000) 5.002 12.432 ( -5.295 0.000 0.000) 5.295 12.556 ( -9.109 0.000 0.000) 9.109 12.743 ( 13.494 0.000 0.000) 13.494 13.021 ( -15.111 0.000 0.000) 15.111 13.314 ( 3.911 0.000 0.000) 3.911 13.384 ( -1.743 0.000 0.000) 1.743 13.516 ( -1.788 0.000 0.000) 1.788 13.518 ( -1.448 0.000 0.000) 1.448 13.724 ( 6.593 0.000 0.000) 6.593 13.851 ( -7.875 0.000 0.000) 7.875 14.222 ( 6.842 0.000 0.000) 6.842 14.320 ( -3.914 0.000 0.000) 3.914 15.048 ( 13.280 0.000 0.000) 13.280 15.130 ( 4.336 0.000 0.000) 4.336 15.366 ( 13.723 0.000 0.000) 13.723 15.634 ( -14.214 0.000 0.000) 14.214 15.768 ( -5.123 0.000 0.000) 5.123 15.787 ( -8.113 0.000 0.000) 8.113 16.367 ( 0.437 0.000 0.000) 0.437 16.397 ( -2.891 0.000 0.000) 2.891 18.120 ( 9.028 0.000 0.000) 9.028 18.324 ( -12.825 0.000 0.000) 12.825 20.656 ( -2.736 0.000 0.000) 2.736 20.664 ( -3.545 0.000 0.000) 3.545 21.673 ( 6.568 0.000 0.000) 6.568 21.784 ( -5.525 0.000 0.000) 5.525 22.844 ( 3.135 0.000 0.000) 3.135 22.853 ( 1.872 0.000 0.000) 1.872 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 25.922 0.000) 25.922 0.568 ( 0.000 30.764 0.000) 30.764 1.133 ( 0.000 49.490 0.000) 49.490 1.342 ( 0.000 5.240 0.000) 5.240 1.572 ( 0.000 4.799 0.000) 4.799 1.578 ( 0.000 -1.323 0.000) 1.323 1.875 ( 0.000 5.651 0.000) 5.651 2.040 ( 0.000 5.613 0.000) 5.613 2.147 ( 0.000 -1.913 0.000) 1.913 2.319 ( 0.000 14.739 0.000) 14.739 2.426 ( 0.000 3.051 0.000) 3.051 2.546 ( 0.000 -18.745 0.000) 18.745 2.650 ( 0.000 -4.514 0.000) 4.514 2.771 ( 0.000 5.616 0.000) 5.616 2.897 ( 0.000 -4.206 0.000) 4.206 2.954 ( 0.000 -1.558 0.000) 1.558 3.055 ( 0.000 7.341 0.000) 7.341 3.166 ( 0.000 -1.812 0.000) 1.812 3.250 ( 0.000 -2.532 0.000) 2.532 3.473 ( 0.000 0.522 0.000) 0.522 3.535 ( 0.000 -2.676 0.000) 2.676 3.586 ( 0.000 1.527 0.000) 1.527 3.809 ( 0.000 14.926 0.000) 14.926 4.089 ( 0.000 8.752 0.000) 8.752 4.138 ( 0.000 -16.384 0.000) 16.384 4.215 ( 0.000 6.827 0.000) 6.827 4.454 ( 0.000 -1.621 0.000) 1.621 4.550 ( 0.000 -1.452 0.000) 1.452 4.566 ( 0.000 -25.709 0.000) 25.709 4.643 ( 0.000 -0.079 0.000) 0.079 4.734 ( 0.000 -0.987 0.000) 0.987 4.842 ( 0.000 -3.117 0.000) 3.117 5.101 ( 0.000 -10.079 0.000) 10.079 5.199 ( 0.000 -8.174 0.000) 8.174 5.212 ( 0.000 -4.851 0.000) 4.851 5.417 ( 0.000 -0.071 0.000) 0.071 5.708 ( 0.000 13.357 0.000) 13.357 5.721 ( 0.000 -7.015 0.000) 7.015 5.754 ( 0.000 0.688 0.000) 0.688 5.961 ( 0.000 -0.357 0.000) 0.357 6.059 ( 0.000 -10.005 0.000) 10.005 6.313 ( 0.000 1.392 0.000) 1.392 6.318 ( 0.000 -10.227 0.000) 10.227 6.371 ( 0.000 6.015 0.000) 6.015 6.795 ( 0.000 -8.068 0.000) 8.068 6.849 ( 0.000 15.576 0.000) 15.576 6.851 ( 0.000 1.201 0.000) 1.201 6.902 ( 0.000 1.359 0.000) 1.359 6.990 ( 0.000 -4.227 0.000) 4.227 7.026 ( 0.000 -4.450 0.000) 4.450 7.080 ( 0.000 4.827 0.000) 4.827 7.310 ( 0.000 4.240 0.000) 4.240 7.474 ( 0.000 0.570 0.000) 0.570 7.590 ( 0.000 -5.249 0.000) 5.249 7.810 ( 0.000 -1.945 0.000) 1.945 7.815 ( 0.000 -17.497 0.000) 17.497 7.940 ( 0.000 2.079 0.000) 2.079 8.031 ( 0.000 2.627 0.000) 2.627 8.048 ( 0.000 9.345 0.000) 9.345 8.316 ( 0.000 -2.485 0.000) 2.485 8.672 ( 0.000 20.093 0.000) 20.093 8.678 ( 0.000 2.476 0.000) 2.476 8.742 ( 0.000 8.287 0.000) 8.287 8.971 ( 0.000 -5.084 0.000) 5.084 9.344 ( 0.000 -3.336 0.000) 3.336 9.559 ( 0.000 0.683 0.000) 0.683 9.606 ( 0.000 0.481 0.000) 0.481 9.727 ( 0.000 -12.847 0.000) 12.847 9.770 ( 0.000 9.539 0.000) 9.539 10.039 ( 0.000 12.404 0.000) 12.404 10.449 ( 0.000 -10.089 0.000) 10.089 10.480 ( 0.000 3.804 0.000) 3.804 11.192 ( 0.000 -2.467 0.000) 2.467 11.484 ( 0.000 -13.169 0.000) 13.169 11.521 ( 0.000 6.789 0.000) 6.789 11.715 ( 0.000 1.875 0.000) 1.875 11.759 ( 0.000 2.463 0.000) 2.463 12.117 ( 0.000 -6.595 0.000) 6.595 12.316 ( 0.000 1.940 0.000) 1.940 12.413 ( 0.000 -1.953 0.000) 1.953 12.464 ( 0.000 1.044 0.000) 1.044 12.527 ( 0.000 -0.748 0.000) 0.748 12.758 ( 0.000 3.756 0.000) 3.756 12.853 ( 0.000 0.347 0.000) 0.347 12.898 ( 0.000 -0.644 0.000) 0.644 13.081 ( 0.000 -6.036 0.000) 6.036 13.114 ( 0.000 8.152 0.000) 8.152 13.334 ( 0.000 2.497 0.000) 2.497 13.772 ( 0.000 2.346 0.000) 2.346 13.985 ( 0.000 -3.347 0.000) 3.347 14.330 ( 0.000 1.678 0.000) 1.678 14.483 ( 0.000 -1.888 0.000) 1.888 14.643 ( 0.000 2.449 0.000) 2.449 14.719 ( 0.000 0.200 0.000) 0.200 14.734 ( 0.000 0.049 0.000) 0.049 14.754 ( 0.000 -0.486 0.000) 0.486 16.021 ( 0.000 4.410 0.000) 4.410 16.365 ( 0.000 0.725 0.000) 0.725 16.430 ( 0.000 -0.840 0.000) 0.840 16.493 ( 0.000 -7.287 0.000) 7.287 19.776 ( 0.000 8.641 0.000) 8.641 20.321 ( 0.000 0.420 0.000) 0.420 20.355 ( 0.000 -0.478 0.000) 0.478 20.609 ( 0.000 -13.396 0.000) 13.396 21.717 ( 0.000 5.529 0.000) 5.529 21.838 ( 0.000 1.148 0.000) 1.148 22.473 ( 0.000 -0.235 0.000) 0.235 22.503 ( 0.000 -0.934 0.000) 0.934 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.11 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.794 ( 20.271 21.170 0.000) 29.310 0.820 ( 18.100 22.839 0.000) 29.142 1.427 ( 12.246 3.976 0.000) 12.875 1.571 ( 0.303 5.378 0.000) 5.387 1.575 ( 22.314 24.511 0.000) 33.147 1.597 ( 1.566 -2.284 0.000) 2.769 1.684 ( 5.839 12.058 0.000) 13.397 2.163 ( 4.209 -4.028 0.000) 5.826 2.261 ( 10.379 -1.121 0.000) 10.440 2.408 ( 8.642 11.621 0.000) 14.482 2.521 ( -1.447 -14.780 0.000) 14.851 2.547 ( 10.120 2.950 0.000) 10.541 2.777 ( 11.658 0.289 0.000) 11.661 2.807 ( 2.584 4.944 0.000) 5.579 2.921 ( 2.945 -6.073 0.000) 6.750 2.940 ( -0.398 -2.066 0.000) 2.104 3.080 ( 1.905 4.997 0.000) 5.348 3.225 ( 0.439 2.077 0.000) 2.123 3.262 ( 4.473 -8.333 0.000) 9.457 3.465 ( -4.633 4.928 0.000) 6.764 3.475 ( 0.840 0.377 0.000) 0.920 3.522 ( -3.591 4.818 0.000) 6.009 3.848 ( 3.085 8.040 0.000) 8.612 4.012 ( -5.934 4.733 0.000) 7.590 4.124 ( -7.083 6.029 0.000) 9.301 4.166 ( 1.056 -12.595 0.000) 12.639 4.507 ( 0.851 -1.979 0.000) 2.154 4.534 ( -1.193 -2.111 0.000) 2.425 4.553 ( -1.582 -20.264 0.000) 20.326 4.583 ( -5.056 0.702 0.000) 5.104 4.731 ( -0.687 2.066 0.000) 2.177 4.810 ( -3.141 -5.262 0.000) 6.129 5.088 ( 0.090 -5.834 0.000) 5.835 5.228 ( 0.190 -13.165 0.000) 13.167 5.232 ( 2.719 -7.156 0.000) 7.655 5.431 ( 0.302 -1.424 0.000) 1.456 5.695 ( 1.564 7.503 0.000) 7.664 5.783 ( -0.029 3.200 0.000) 3.200 5.817 ( 6.515 -2.934 0.000) 7.145 5.864 ( -6.145 -3.965 0.000) 7.313 6.063 ( -3.446 -0.587 0.000) 3.495 6.081 ( 1.283 -7.359 0.000) 7.470 6.323 ( -4.465 5.653 0.000) 7.204 6.400 ( -0.743 5.813 0.000) 5.861 6.655 ( -7.134 -1.964 0.000) 7.400 6.768 ( -2.860 -3.707 0.000) 4.682 6.938 ( 2.311 8.474 0.000) 8.783 7.045 ( 5.312 -2.054 0.000) 5.696 7.046 ( -2.257 -2.754 0.000) 3.561 7.069 ( 6.858 1.875 0.000) 7.110 7.369 ( 10.779 4.089 0.000) 11.529 7.438 ( -3.117 -2.230 0.000) 3.833 7.489 ( 1.280 -2.533 0.000) 2.838 7.797 ( -1.535 -3.474 0.000) 3.798 7.812 ( 9.226 -4.727 0.000) 10.366 7.843 ( 2.622 -15.048 0.000) 15.275 7.942 ( 6.538 7.244 0.000) 9.758 8.123 ( 11.799 7.050 0.000) 13.744 8.344 ( 4.417 -2.087 0.000) 4.885 8.548 ( -6.827 8.744 0.000) 11.093 8.550 ( -11.103 10.892 0.000) 15.553 8.713 ( 1.404 11.854 0.000) 11.937 8.937 ( -6.887 -5.560 0.000) 8.851 9.083 ( 40.804 -40.892 0.000) 57.767 9.192 ( -5.442 -1.872 0.000) 5.755 9.265 ( -11.373 6.065 0.000) 12.889 9.775 ( 4.993 -5.349 0.000) 7.317 9.797 ( 11.608 -16.002 0.000) 19.769 10.015 ( -2.298 11.993 0.000) 12.211 10.137 ( 24.285 4.376 0.000) 24.676 10.457 ( 1.054 5.832 0.000) 5.926 10.474 ( 4.134 -6.400 0.000) 7.620 11.173 ( -1.410 -6.711 0.000) 6.857 11.432 ( -12.344 4.045 0.000) 12.990 11.453 ( -3.556 -16.637 0.000) 17.013 11.580 ( -14.638 0.268 0.000) 14.640 11.639 ( -3.545 6.795 0.000) 7.664 12.111 ( 1.956 -6.483 0.000) 6.772 12.265 ( -12.547 13.349 0.000) 18.320 12.323 ( 2.728 2.446 0.000) 3.664 12.452 ( -0.023 -1.503 0.000) 1.503 12.501 ( 3.614 0.025 0.000) 3.614 12.945 ( 15.537 3.940 0.000) 16.029 12.995 ( 9.859 0.945 0.000) 9.904 13.083 ( -1.103 6.427 0.000) 6.521 13.089 ( 19.158 -1.619 0.000) 19.226 13.204 ( 1.994 2.923 0.000) 3.538 13.701 ( -6.462 2.865 0.000) 7.069 13.951 ( -3.036 -3.749 0.000) 4.824 13.983 ( 11.488 -31.014 0.000) 33.073 14.329 ( 3.832 -6.237 0.000) 7.320 14.472 ( 0.431 -3.006 0.000) 3.037 14.689 ( -6.492 -1.086 0.000) 6.582 14.703 ( 5.787 2.274 0.000) 6.218 14.773 ( 5.453 0.200 0.000) 5.456 14.893 ( 27.732 -31.302 0.000) 41.820 16.011 ( -1.121 4.366 0.000) 4.508 16.335 ( -3.323 0.691 0.000) 3.394 16.385 ( -4.788 -0.531 0.000) 4.817 16.486 ( -0.852 -7.549 0.000) 7.597 19.172 ( -50.237 59.177 0.000) 77.625 19.548 ( -19.835 10.817 0.000) 22.593 20.657 ( 0.500 -22.720 0.000) 22.726 20.763 ( -0.459 -27.331 0.000) 27.335 21.578 ( -2.200 16.718 0.000) 16.862 22.123 ( 18.130 -2.771 0.000) 18.341 22.370 ( -7.785 11.809 0.000) 14.144 22.537 ( 5.434 -0.177 0.000) 5.437 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.22 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 18.026 10.757 0.000) 20.992 1.194 ( 17.132 9.606 0.000) 19.641 1.352 ( -9.067 5.735 0.000) 10.728 1.611 ( 3.303 2.629 0.000) 4.221 1.642 ( 6.718 2.940 0.000) 7.333 1.666 ( 4.907 -3.258 0.000) 5.890 2.283 ( 7.601 -4.344 0.000) 8.754 2.436 ( 33.997 11.837 0.000) 35.999 2.500 ( 0.235 -7.250 0.000) 7.254 2.559 ( 21.629 1.621 0.000) 21.690 2.617 ( 9.733 2.704 0.000) 10.102 2.748 ( 12.619 -0.349 0.000) 12.624 2.859 ( 4.583 1.199 0.000) 4.737 2.936 ( -1.010 -3.385 0.000) 3.532 2.986 ( 7.506 -3.787 0.000) 8.408 3.003 ( 8.484 5.535 0.000) 10.130 3.159 ( -8.429 0.130 0.000) 8.430 3.160 ( 6.197 -0.000 0.000) 6.197 3.300 ( 3.330 10.072 0.000) 10.608 3.474 ( 0.364 7.745 0.000) 7.754 3.530 ( 5.640 1.370 0.000) 5.804 3.532 ( 9.202 -2.139 0.000) 9.447 3.887 ( -6.330 4.838 0.000) 7.967 3.900 ( 2.178 2.253 0.000) 3.134 4.008 ( -3.920 3.992 0.000) 5.595 4.173 ( -0.382 -11.229 0.000) 11.236 4.378 ( -11.418 -2.215 0.000) 11.630 4.437 ( -6.700 -1.302 0.000) 6.825 4.507 ( -3.362 -8.970 0.000) 9.579 4.567 ( -1.988 -1.764 0.000) 2.658 4.701 ( -2.574 5.174 0.000) 5.779 4.737 ( -4.296 -8.857 0.000) 9.844 5.124 ( 3.103 -0.275 0.000) 3.115 5.260 ( 3.414 -17.239 0.000) 17.574 5.299 ( 4.426 -2.586 0.000) 5.126 5.375 ( -7.347 -3.890 0.000) 8.313 5.706 ( -4.272 2.747 0.000) 5.079 5.757 ( 4.639 7.502 0.000) 8.820 5.836 ( 1.177 -1.860 0.000) 2.201 5.925 ( 3.175 -1.852 0.000) 3.676 6.061 ( 2.263 -0.680 0.000) 2.363 6.062 ( -3.050 -1.251 0.000) 3.297 6.236 ( -3.419 -0.012 0.000) 3.419 6.373 ( -2.180 -1.083 0.000) 2.435 6.589 ( -0.073 -3.578 0.000) 3.579 6.671 ( -6.889 5.452 0.000) 8.786 6.931 ( -2.645 10.607 0.000) 10.932 6.974 ( -3.661 -5.745 0.000) 6.812 7.097 ( -1.875 -1.650 0.000) 2.498 7.131 ( 2.743 0.274 0.000) 2.757 7.384 ( -2.555 -2.305 0.000) 3.441 7.495 ( -1.901 -10.441 0.000) 10.613 7.540 ( 6.325 5.135 0.000) 8.147 7.749 ( -2.854 -0.872 0.000) 2.984 7.879 ( 0.414 -2.777 0.000) 2.808 7.901 ( 2.913 -9.980 0.000) 10.396 8.054 ( 4.572 10.107 0.000) 11.093 8.099 ( -15.355 7.243 0.000) 16.978 8.283 ( -15.118 4.561 0.000) 15.791 8.421 ( 3.868 -1.701 0.000) 4.225 8.692 ( -12.528 0.685 0.000) 12.546 8.718 ( -3.363 11.086 0.000) 11.585 8.904 ( 41.455 14.799 0.000) 44.018 9.235 ( 7.861 1.908 0.000) 8.089 9.241 ( 7.067 -1.578 0.000) 7.241 9.264 ( -6.927 -17.806 0.000) 19.106 9.711 ( -10.903 -9.528 0.000) 14.480 9.930 ( -3.299 8.297 0.000) 8.929 10.212 ( 19.154 -8.976 0.000) 21.153 10.536 ( 6.205 -5.319 0.000) 8.173 10.537 ( 15.225 1.453 0.000) 15.294 10.626 ( 9.759 -1.568 0.000) 9.884 11.132 ( -1.908 -6.941 0.000) 7.199 11.187 ( -8.263 3.726 0.000) 9.064 11.282 ( -12.283 0.842 0.000) 12.312 11.375 ( -3.735 -15.695 0.000) 16.133 11.648 ( 1.750 9.463 0.000) 9.623 12.138 ( -3.848 18.584 0.000) 18.978 12.217 ( 7.801 -5.651 0.000) 9.633 12.339 ( -0.922 0.583 0.000) 1.091 12.428 ( -1.574 -2.104 0.000) 2.627 12.556 ( 1.098 -0.095 0.000) 1.102 12.943 ( -6.990 6.197 0.000) 9.342 13.210 ( 10.190 3.214 0.000) 10.685 13.245 ( 2.039 0.423 0.000) 2.082 13.271 ( 10.645 3.796 0.000) 11.301 13.420 ( 12.846 -2.404 0.000) 13.069 13.584 ( -3.810 3.614 0.000) 5.251 13.820 ( -14.444 -6.012 0.000) 15.645 13.909 ( 0.359 -4.802 0.000) 4.816 14.249 ( -9.536 -1.954 0.000) 9.734 14.460 ( -5.194 -6.124 0.000) 8.030 14.585 ( 1.999 3.068 0.000) 3.662 14.842 ( 8.434 2.232 0.000) 8.724 14.915 ( 9.297 0.037 0.000) 9.297 15.496 ( 24.026 -48.125 0.000) 53.789 15.978 ( -2.398 4.184 0.000) 4.822 16.226 ( -8.655 0.860 0.000) 8.697 16.259 ( -7.438 -1.506 0.000) 7.589 16.454 ( -2.761 -8.028 0.000) 8.489 18.556 ( -18.289 50.512 0.000) 53.722 19.142 ( -21.250 13.946 0.000) 25.417 20.563 ( -8.799 -30.588 0.000) 31.829 20.608 ( -11.830 -30.010 0.000) 32.258 21.664 ( 8.706 23.639 0.000) 25.191 22.244 ( -5.828 16.706 0.000) 17.694 22.445 ( 15.029 -4.694 0.000) 15.745 22.654 ( 6.226 -1.304 0.000) 6.361 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.33 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -2.930 5.128 0.000) 5.906 1.328 ( -0.240 3.742 0.000) 3.749 1.449 ( 9.108 0.675 0.000) 9.133 1.630 ( -0.211 -3.867 0.000) 3.873 1.826 ( 14.601 -7.373 0.000) 16.357 1.983 ( 23.952 10.792 0.000) 26.271 2.404 ( 4.912 -5.981 0.000) 7.740 2.474 ( -3.323 -2.236 0.000) 4.005 2.649 ( 0.431 2.321 0.000) 2.361 2.723 ( -0.084 -4.010 0.000) 4.011 2.883 ( -1.336 -2.176 0.000) 2.553 2.907 ( 5.410 -5.555 0.000) 7.754 2.948 ( -3.578 -2.440 0.000) 4.331 2.998 ( 14.395 -4.026 0.000) 14.948 3.103 ( 10.129 2.123 0.000) 10.349 3.130 ( -1.934 4.630 0.000) 5.018 3.227 ( 9.973 4.523 0.000) 10.950 3.350 ( 20.828 -0.476 0.000) 20.833 3.399 ( 4.872 9.530 0.000) 10.703 3.589 ( 7.285 12.382 0.000) 14.367 3.658 ( 2.579 1.964 0.000) 3.241 3.736 ( 14.196 5.902 0.000) 15.374 3.833 ( 5.356 4.003 0.000) 6.687 3.931 ( 1.229 0.975 0.000) 1.569 4.025 ( 6.258 -3.542 0.000) 7.191 4.163 ( -10.137 -1.632 0.000) 10.268 4.169 ( 1.625 -6.572 0.000) 6.770 4.285 ( -8.731 -0.008 0.000) 8.731 4.413 ( -6.643 -1.053 0.000) 6.726 4.464 ( -7.807 -5.294 0.000) 9.432 4.638 ( -6.258 -7.964 0.000) 10.129 4.650 ( -2.155 -0.187 0.000) 2.163 5.147 ( -14.097 -3.208 0.000) 14.457 5.158 ( -0.989 3.490 0.000) 3.627 5.347 ( 3.754 -8.985 0.000) 9.737 5.392 ( 4.825 0.176 0.000) 4.828 5.697 ( 3.744 -0.336 0.000) 3.759 5.861 ( 4.870 6.464 0.000) 8.093 5.873 ( 2.355 -1.558 0.000) 2.824 5.910 ( -1.221 6.047 0.000) 6.169 6.014 ( -2.334 2.502 0.000) 3.422 6.084 ( -1.841 4.045 0.000) 4.445 6.219 ( 0.094 -6.593 0.000) 6.593 6.339 ( -0.961 -5.543 0.000) 5.626 6.545 ( -4.605 5.277 0.000) 7.003 6.593 ( -0.212 -4.202 0.000) 4.207 6.858 ( -4.410 10.200 0.000) 11.113 6.934 ( -0.376 -5.173 0.000) 5.187 7.036 ( -4.715 -0.960 0.000) 4.812 7.142 ( -1.450 -0.136 0.000) 1.457 7.329 ( -2.903 -5.970 0.000) 6.638 7.403 ( -6.312 -11.452 0.000) 13.076 7.636 ( 4.264 4.160 0.000) 5.957 7.725 ( 0.080 0.691 0.000) 0.696 7.783 ( -11.615 7.991 0.000) 14.098 7.903 ( -5.026 6.572 0.000) 8.274 7.903 ( -0.037 0.185 0.000) 0.189 8.047 ( -7.535 -11.283 0.000) 13.568 8.142 ( 3.265 6.975 0.000) 7.702 8.438 ( -11.323 -1.916 0.000) 11.484 8.519 ( 7.018 -1.250 0.000) 7.129 8.713 ( 1.163 10.018 0.000) 10.085 9.058 ( -10.705 -13.095 0.000) 16.914 9.314 ( -9.305 -6.942 0.000) 11.609 9.477 ( 12.824 -1.122 0.000) 12.873 9.514 ( 3.855 -1.512 0.000) 4.141 9.689 ( 34.752 12.480 0.000) 36.925 9.864 ( -2.729 7.294 0.000) 7.787 10.338 ( -5.093 -2.519 0.000) 5.682 10.624 ( -3.719 1.740 0.000) 4.106 10.719 ( 11.191 -11.564 0.000) 16.092 10.774 ( 5.570 -4.207 0.000) 6.980 11.161 ( 5.246 -3.736 0.000) 6.440 11.176 ( 0.371 2.429 0.000) 2.457 11.221 ( 8.493 4.512 0.000) 9.617 11.314 ( -2.848 -9.219 0.000) 9.649 11.679 ( 1.438 11.289 0.000) 11.381 12.023 ( -8.869 17.555 0.000) 19.668 12.314 ( -0.426 -0.748 0.000) 0.861 12.346 ( 3.300 -1.847 0.000) 3.782 12.457 ( 7.286 -6.156 0.000) 9.539 12.526 ( -3.955 -0.126 0.000) 3.957 12.781 ( -9.761 4.648 0.000) 10.811 13.191 ( -9.349 -6.350 0.000) 11.302 13.306 ( 1.090 3.574 0.000) 3.737 13.403 ( 3.633 4.975 0.000) 6.160 13.521 ( -0.427 -2.306 0.000) 2.345 13.599 ( -7.412 -1.077 0.000) 7.490 13.630 ( 7.399 4.264 0.000) 8.540 14.009 ( 8.675 -5.598 0.000) 10.324 14.044 ( -10.763 0.293 0.000) 10.767 14.334 ( -5.310 -6.598 0.000) 8.469 14.793 ( 16.660 5.819 0.000) 17.647 15.013 ( 9.326 2.660 0.000) 9.698 15.117 ( 11.803 -0.351 0.000) 11.808 15.736 ( 1.080 -20.434 0.000) 20.462 15.912 ( -4.835 3.901 0.000) 6.213 16.017 ( -12.327 1.325 0.000) 12.398 16.157 ( -1.404 -10.691 0.000) 10.782 16.381 ( -4.668 -8.582 0.000) 9.769 18.363 ( -3.881 34.388 0.000) 34.607 18.776 ( -16.800 16.522 0.000) 23.563 20.391 ( -8.154 -32.191 0.000) 33.207 20.395 ( -9.437 -32.328 0.000) 33.677 21.833 ( 8.108 23.643 0.000) 24.994 22.142 ( -4.924 19.594 0.000) 20.203 22.678 ( 9.299 -5.315 0.000) 10.711 22.758 ( 4.459 -2.874 0.000) 5.304 ======================= Grid point 13 (10/60) ======================= q-point: ( 0.44 0.20 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 2.069 4.928 0.000) 5.345 1.282 ( -3.472 4.094 0.000) 5.367 1.554 ( 3.661 -3.886 0.000) 5.340 1.608 ( -2.052 -4.635 0.000) 5.069 2.143 ( 15.177 -8.247 0.000) 17.272 2.330 ( -0.830 -0.832 0.000) 1.176 2.443 ( 9.548 2.835 0.000) 9.960 2.488 ( 4.167 -3.652 0.000) 5.541 2.641 ( 0.064 -0.160 0.000) 0.173 2.675 ( -2.491 -2.861 0.000) 3.794 2.774 ( -3.508 5.101 0.000) 6.191 2.896 ( -7.365 1.382 0.000) 7.494 2.978 ( 0.751 -10.062 0.000) 10.090 2.987 ( -4.795 -2.499 0.000) 5.407 3.250 ( 10.578 1.625 0.000) 10.702 3.307 ( 8.627 -0.047 0.000) 8.627 3.415 ( -3.408 5.089 0.000) 6.124 3.420 ( 2.078 0.503 0.000) 2.139 3.633 ( 12.348 -3.502 0.000) 12.835 3.690 ( 2.507 5.519 0.000) 6.062 3.719 ( 8.609 11.749 0.000) 14.566 3.838 ( 2.197 4.339 0.000) 4.864 3.914 ( -4.883 -1.897 0.000) 5.239 3.963 ( -12.316 4.613 0.000) 13.152 4.063 ( 10.196 -2.692 0.000) 10.545 4.163 ( 0.327 -4.650 0.000) 4.661 4.185 ( 3.312 -2.611 0.000) 4.217 4.228 ( -3.261 0.858 0.000) 3.372 4.331 ( -3.761 -3.433 0.000) 5.092 4.339 ( 1.692 -0.969 0.000) 1.950 4.547 ( -0.392 -7.200 0.000) 7.210 4.620 ( -2.881 -7.573 0.000) 8.102 4.939 ( -2.127 5.992 0.000) 6.358 5.063 ( -8.513 7.795 0.000) 11.543 5.411 ( 3.384 0.016 0.000) 3.384 5.450 ( 0.438 0.607 0.000) 0.749 5.823 ( 8.078 -1.587 0.000) 8.232 5.886 ( 2.205 -0.510 0.000) 2.263 5.914 ( 1.580 -4.100 0.000) 4.394 5.939 ( -2.649 0.939 0.000) 2.811 5.994 ( -0.075 16.133 0.000) 16.133 6.001 ( -4.723 7.591 0.000) 8.940 6.183 ( -0.461 -4.418 0.000) 4.442 6.273 ( -6.353 8.163 0.000) 10.344 6.554 ( 4.366 -9.166 0.000) 10.153 6.612 ( 0.654 -6.620 0.000) 6.652 6.796 ( 0.192 4.380 0.000) 4.384 6.902 ( -7.896 -0.276 0.000) 7.901 6.981 ( 4.324 -2.329 0.000) 4.911 7.080 ( -4.858 -1.360 0.000) 5.045 7.293 ( -0.670 -5.439 0.000) 5.480 7.311 ( -2.828 -6.362 0.000) 6.963 7.649 ( -1.359 4.958 0.000) 5.140 7.696 ( -4.324 1.169 0.000) 4.480 7.718 ( 3.747 4.588 0.000) 5.923 7.783 ( -3.794 6.529 0.000) 7.552 7.922 ( 1.523 -4.521 0.000) 4.771 7.964 ( -3.119 -9.180 0.000) 9.695 8.194 ( 2.989 4.386 0.000) 5.307 8.277 ( -6.022 0.711 0.000) 6.064 8.696 ( 11.249 -2.773 0.000) 11.586 8.757 ( 3.296 0.210 0.000) 3.303 8.886 ( -6.419 -6.957 0.000) 9.465 9.003 ( -16.772 -5.165 0.000) 17.549 9.635 ( 8.148 1.511 0.000) 8.286 9.767 ( -5.581 3.539 0.000) 6.608 9.817 ( 17.138 -2.785 0.000) 17.362 10.104 ( -9.594 -1.880 0.000) 9.776 10.276 ( 16.204 7.028 0.000) 17.662 10.519 ( -7.716 4.729 0.000) 9.049 10.849 ( 2.723 -5.924 0.000) 6.520 10.857 ( 2.872 -7.131 0.000) 7.688 11.208 ( 1.671 0.651 0.000) 1.793 11.237 ( -0.923 -3.233 0.000) 3.362 11.315 ( 4.780 -2.571 0.000) 5.428 11.350 ( 2.859 1.902 0.000) 3.434 11.714 ( 3.162 14.283 0.000) 14.628 11.835 ( -9.374 16.851 0.000) 19.283 12.340 ( 3.409 -0.543 0.000) 3.452 12.419 ( 6.184 0.157 0.000) 6.186 12.430 ( -5.501 -0.264 0.000) 5.507 12.584 ( -10.382 2.514 0.000) 10.682 12.666 ( 13.287 -7.768 0.000) 15.391 12.940 ( -15.007 -8.135 0.000) 17.070 13.340 ( 3.211 2.512 0.000) 4.077 13.406 ( -2.666 2.181 0.000) 3.444 13.497 ( -0.768 -1.941 0.000) 2.088 13.516 ( -2.596 -0.237 0.000) 2.607 13.769 ( 6.257 4.523 0.000) 7.720 13.879 ( -6.407 3.048 0.000) 7.095 14.163 ( 6.656 -5.902 0.000) 8.896 14.258 ( -3.703 -6.312 0.000) 7.318 15.106 ( 12.704 6.069 0.000) 14.079 15.169 ( 5.250 3.842 0.000) 6.506 15.357 ( 13.215 -1.052 0.000) 13.257 15.603 ( -11.849 -3.816 0.000) 12.449 15.801 ( -5.511 3.508 0.000) 6.533 15.808 ( -7.565 2.133 0.000) 7.860 16.202 ( 4.238 -14.210 0.000) 14.828 16.288 ( -4.806 -10.373 0.000) 11.432 18.370 ( 4.173 24.321 0.000) 24.676 18.513 ( -10.758 19.289 0.000) 22.086 20.274 ( -3.102 -33.409 0.000) 33.552 20.278 ( -3.356 -33.147 0.000) 33.316 21.961 ( 5.562 22.934 0.000) 23.599 22.054 ( -4.517 21.699 0.000) 22.164 22.797 ( 3.402 -5.150 0.000) 6.172 22.815 ( 1.285 -4.288 0.000) 4.476 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 17.629 0.000) 17.629 1.114 ( 0.000 26.376 0.000) 26.376 1.179 ( 0.000 -9.425 0.000) 9.425 1.467 ( 0.000 -11.447 0.000) 11.447 1.727 ( 0.000 13.163 0.000) 13.163 1.899 ( 0.000 12.325 0.000) 12.325 2.041 ( 0.000 -5.334 0.000) 5.334 2.098 ( 0.000 -25.432 0.000) 25.432 2.136 ( 0.000 19.256 0.000) 19.256 2.205 ( 0.000 5.798 0.000) 5.798 2.541 ( 0.000 7.368 0.000) 7.368 2.583 ( 0.000 -2.007 0.000) 2.007 2.659 ( 0.000 17.852 0.000) 17.852 2.844 ( 0.000 -0.745 0.000) 0.745 2.895 ( 0.000 13.524 0.000) 13.524 2.974 ( 0.000 3.129 0.000) 3.129 3.081 ( 0.000 -7.501 0.000) 7.501 3.165 ( 0.000 0.964 0.000) 0.964 3.267 ( 0.000 5.762 0.000) 5.762 3.421 ( 0.000 -8.824 0.000) 8.824 3.481 ( 0.000 0.826 0.000) 0.826 3.662 ( 0.000 8.478 0.000) 8.478 3.776 ( 0.000 -28.098 0.000) 28.098 3.937 ( 0.000 -26.752 0.000) 26.752 4.135 ( 0.000 18.395 0.000) 18.395 4.316 ( 0.000 14.847 0.000) 14.847 4.366 ( 0.000 7.520 0.000) 7.520 4.402 ( 0.000 -6.795 0.000) 6.795 4.466 ( 0.000 -6.280 0.000) 6.280 4.594 ( 0.000 -13.538 0.000) 13.538 4.664 ( 0.000 3.550 0.000) 3.550 4.765 ( 0.000 -5.075 0.000) 5.075 4.976 ( 0.000 -3.116 0.000) 3.116 5.027 ( 0.000 -8.087 0.000) 8.087 5.258 ( 0.000 6.791 0.000) 6.791 5.376 ( 0.000 -4.760 0.000) 4.760 5.602 ( 0.000 -4.147 0.000) 4.147 5.630 ( 0.000 -8.400 0.000) 8.400 5.827 ( 0.000 7.010 0.000) 7.010 5.951 ( 0.000 -3.111 0.000) 3.111 6.156 ( 0.000 -3.210 0.000) 3.210 6.233 ( 0.000 -7.552 0.000) 7.552 6.251 ( 0.000 19.892 0.000) 19.892 6.580 ( 0.000 -14.842 0.000) 14.842 6.584 ( 0.000 14.973 0.000) 14.973 6.853 ( 0.000 -11.628 0.000) 11.628 6.882 ( 0.000 2.042 0.000) 2.042 6.920 ( 0.000 -1.567 0.000) 1.567 7.051 ( 0.000 6.168 0.000) 6.168 7.094 ( 0.000 11.550 0.000) 11.550 7.128 ( 0.000 -0.734 0.000) 0.734 7.322 ( 0.000 -13.791 0.000) 13.791 7.386 ( 0.000 4.440 0.000) 4.440 7.482 ( 0.000 -5.835 0.000) 5.835 7.695 ( 0.000 2.347 0.000) 2.347 7.759 ( 0.000 -3.494 0.000) 3.494 7.979 ( 0.000 2.082 0.000) 2.082 8.015 ( 0.000 -1.608 0.000) 1.608 8.200 ( 0.000 4.462 0.000) 4.462 8.262 ( 0.000 -3.055 0.000) 3.055 8.748 ( 0.000 4.998 0.000) 4.998 8.854 ( 0.000 -5.934 0.000) 5.934 9.016 ( 0.000 15.205 0.000) 15.205 9.026 ( 0.000 20.557 0.000) 20.557 9.238 ( 0.000 -8.552 0.000) 8.552 9.416 ( 0.000 -19.925 0.000) 19.925 9.584 ( 0.000 1.594 0.000) 1.594 9.606 ( 0.000 -0.620 0.000) 0.620 9.979 ( 0.000 12.554 0.000) 12.554 10.223 ( 0.000 -13.364 0.000) 13.364 10.313 ( 0.000 14.963 0.000) 14.963 10.501 ( 0.000 -3.674 0.000) 3.674 11.153 ( 0.000 -0.554 0.000) 0.554 11.236 ( 0.000 -10.520 0.000) 10.520 11.650 ( 0.000 6.098 0.000) 6.098 11.723 ( 0.000 -1.571 0.000) 1.571 11.844 ( 0.000 6.410 0.000) 6.410 11.980 ( 0.000 -7.794 0.000) 7.794 12.343 ( 0.000 1.271 0.000) 1.271 12.373 ( 0.000 -2.059 0.000) 2.059 12.488 ( 0.000 1.354 0.000) 1.354 12.511 ( 0.000 -1.048 0.000) 1.048 12.848 ( 0.000 5.695 0.000) 5.695 12.864 ( 0.000 0.844 0.000) 0.844 12.882 ( 0.000 -1.014 0.000) 1.014 12.962 ( 0.000 -6.475 0.000) 6.475 13.265 ( 0.000 6.898 0.000) 6.898 13.346 ( 0.000 -1.678 0.000) 1.678 13.831 ( 0.000 3.893 0.000) 3.893 13.910 ( 0.000 -4.397 0.000) 4.397 14.375 ( 0.000 3.021 0.000) 3.021 14.435 ( 0.000 -3.144 0.000) 3.144 14.690 ( 0.000 2.189 0.000) 2.189 14.717 ( 0.000 -0.659 0.000) 0.659 14.736 ( 0.000 0.263 0.000) 0.263 14.744 ( 0.000 -0.538 0.000) 0.538 16.142 ( 0.000 8.491 0.000) 8.491 16.322 ( 0.000 -10.275 0.000) 10.275 16.384 ( 0.000 1.280 0.000) 1.280 16.409 ( 0.000 -1.356 0.000) 1.356 20.001 ( 0.000 15.122 0.000) 15.122 20.311 ( 0.000 -17.438 0.000) 17.438 20.331 ( 0.000 0.660 0.000) 0.660 20.344 ( 0.000 -0.693 0.000) 0.693 21.811 ( 0.000 3.886 0.000) 3.886 21.850 ( 0.000 -0.392 0.000) 0.392 22.472 ( 0.000 0.233 0.000) 0.233 22.484 ( 0.000 -0.956 0.000) 0.956 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.11 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 9.226 20.743 0.000) 22.702 1.218 ( 20.635 16.971 0.000) 26.717 1.417 ( 17.841 -5.153 0.000) 18.570 1.491 ( 2.159 -9.612 0.000) 9.852 1.749 ( 2.960 15.004 0.000) 15.293 1.783 ( -15.712 11.062 0.000) 19.215 1.979 ( 0.776 -5.707 0.000) 5.760 2.133 ( 4.035 -24.074 0.000) 24.410 2.152 ( 9.042 9.834 0.000) 13.359 2.275 ( 8.867 -1.289 0.000) 8.960 2.632 ( 9.007 6.045 0.000) 10.848 2.675 ( 1.857 14.646 0.000) 14.763 2.755 ( 8.376 -7.068 0.000) 10.959 2.859 ( 0.646 -3.766 0.000) 3.821 2.943 ( -2.258 5.072 0.000) 5.552 2.972 ( 9.874 18.693 0.000) 21.140 3.091 ( -0.413 -9.588 0.000) 9.597 3.160 ( -0.042 1.128 0.000) 1.129 3.322 ( 6.154 7.594 0.000) 9.774 3.457 ( 3.662 -5.406 0.000) 6.530 3.518 ( 5.171 7.393 0.000) 9.022 3.641 ( -1.088 8.305 0.000) 8.376 3.856 ( 2.433 -13.927 0.000) 14.138 3.979 ( 8.432 -33.030 0.000) 34.089 4.094 ( -3.749 16.908 0.000) 17.319 4.263 ( -6.985 6.736 0.000) 9.704 4.272 ( -3.811 13.898 0.000) 14.411 4.419 ( -2.389 -9.942 0.000) 10.225 4.438 ( -3.007 -5.848 0.000) 6.576 4.576 ( -1.753 -16.403 0.000) 16.496 4.618 ( -3.661 3.347 0.000) 4.960 4.698 ( -6.185 -5.106 0.000) 8.020 5.035 ( 5.468 -0.864 0.000) 5.536 5.082 ( 5.245 -6.586 0.000) 8.420 5.197 ( -5.486 7.001 0.000) 8.895 5.347 ( -3.548 -7.419 0.000) 8.224 5.658 ( 5.627 -3.089 0.000) 6.419 5.701 ( 7.044 -7.390 0.000) 10.210 5.829 ( 0.508 2.328 0.000) 2.382 5.859 ( -4.253 0.320 0.000) 4.265 6.099 ( -2.161 6.433 0.000) 6.787 6.223 ( -3.822 15.922 0.000) 16.375 6.291 ( -0.671 -12.089 0.000) 12.108 6.478 ( -9.247 -7.058 0.000) 11.632 6.590 ( 1.378 12.303 0.000) 12.380 6.837 ( -1.797 6.743 0.000) 6.978 6.889 ( 3.615 -13.255 0.000) 13.739 6.947 ( -1.735 -5.294 0.000) 5.572 7.143 ( 3.424 9.593 0.000) 10.186 7.185 ( 1.977 7.271 0.000) 7.535 7.315 ( 2.712 -5.999 0.000) 6.583 7.331 ( 0.292 -11.447 0.000) 11.451 7.531 ( 12.257 8.170 0.000) 14.731 7.690 ( 13.750 -8.215 0.000) 16.017 7.709 ( 1.486 0.929 0.000) 1.752 7.757 ( -0.160 -3.087 0.000) 3.091 8.091 ( 15.325 9.115 0.000) 17.831 8.191 ( 6.928 1.136 0.000) 7.020 8.299 ( 5.876 -2.398 0.000) 6.347 8.396 ( 30.501 -16.964 0.000) 34.901 8.688 ( -9.303 6.480 0.000) 11.337 8.810 ( -7.113 -6.399 0.000) 9.568 8.974 ( -0.683 11.451 0.000) 11.472 9.011 ( 2.163 21.726 0.000) 21.833 9.128 ( -3.985 -5.388 0.000) 6.701 9.417 ( -9.883 10.371 0.000) 14.326 9.435 ( 5.035 -22.094 0.000) 22.660 9.624 ( -3.053 -10.617 0.000) 11.047 10.235 ( 19.450 5.777 0.000) 20.290 10.290 ( -2.924 15.697 0.000) 15.967 10.348 ( 12.248 -6.585 0.000) 13.906 10.500 ( -0.758 -4.247 0.000) 4.314 11.088 ( -4.371 -0.906 0.000) 4.464 11.184 ( -4.038 -10.897 0.000) 11.621 11.512 ( -14.567 4.094 0.000) 15.131 11.568 ( -15.440 -1.787 0.000) 15.543 11.798 ( 0.847 9.440 0.000) 9.478 11.968 ( 2.515 -8.634 0.000) 8.993 12.367 ( 1.186 2.419 0.000) 2.694 12.414 ( 0.378 -2.466 0.000) 2.495 12.432 ( -2.686 5.392 0.000) 6.024 12.491 ( 2.103 -1.465 0.000) 2.562 13.019 ( 13.108 1.612 0.000) 13.207 13.054 ( 16.566 -2.013 0.000) 16.688 13.070 ( 18.043 9.197 0.000) 20.251 13.189 ( 2.462 1.078 0.000) 2.688 13.245 ( 1.603 3.681 0.000) 4.015 13.447 ( 14.686 -19.808 0.000) 24.658 13.773 ( -5.381 4.659 0.000) 7.117 13.866 ( -4.075 -5.113 0.000) 6.538 14.334 ( -3.325 3.300 0.000) 4.685 14.407 ( -2.419 -4.036 0.000) 4.706 14.678 ( -5.223 0.359 0.000) 5.236 14.705 ( -0.866 -2.774 0.000) 2.906 14.746 ( 5.568 2.026 0.000) 5.925 14.771 ( 5.446 -0.590 0.000) 5.478 16.131 ( -1.235 8.463 0.000) 8.553 16.311 ( -1.208 -10.410 0.000) 10.480 16.352 ( -3.530 1.073 0.000) 3.689 16.372 ( -4.114 -0.934 0.000) 4.219 19.829 ( -15.534 18.855 0.000) 24.430 19.894 ( -29.389 26.765 0.000) 39.750 20.224 ( -9.201 -23.085 0.000) 24.851 20.321 ( -11.709 -21.635 0.000) 24.600 21.855 ( 7.545 12.488 0.000) 14.591 22.035 ( 13.948 -7.029 0.000) 15.619 22.489 ( 0.615 3.118 0.000) 3.178 22.526 ( 4.157 -1.202 0.000) 4.327 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.22 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 5.981 9.338 0.000) 11.089 1.473 ( -1.533 7.988 0.000) 8.134 1.523 ( -4.185 21.152 0.000) 21.562 1.530 ( 1.405 -6.700 0.000) 6.845 1.602 ( 4.514 -0.666 0.000) 4.563 1.895 ( 13.772 18.957 0.000) 23.432 2.022 ( 4.965 -22.628 0.000) 23.167 2.262 ( 9.158 -18.176 0.000) 20.353 2.505 ( 19.401 1.926 0.000) 19.497 2.574 ( 19.175 -5.049 0.000) 19.828 2.718 ( 1.640 7.398 0.000) 7.577 2.792 ( 8.238 5.744 0.000) 10.043 2.843 ( -2.455 -5.045 0.000) 5.610 2.885 ( 9.212 -4.732 0.000) 10.356 2.916 ( 0.442 4.064 0.000) 4.088 3.047 ( -3.823 -8.969 0.000) 9.749 3.192 ( 9.277 6.698 0.000) 11.443 3.205 ( 5.816 2.815 0.000) 6.461 3.477 ( 8.598 7.685 0.000) 11.532 3.556 ( 6.637 -0.076 0.000) 6.637 3.622 ( 2.668 8.939 0.000) 9.329 3.720 ( 10.063 12.785 0.000) 16.270 3.883 ( 6.937 1.011 0.000) 7.010 4.023 ( -2.979 12.445 0.000) 12.796 4.131 ( -6.476 7.572 0.000) 9.963 4.159 ( -2.143 8.385 0.000) 8.655 4.242 ( 7.963 -14.936 0.000) 16.926 4.306 ( -9.896 -6.031 0.000) 11.589 4.338 ( -5.649 -10.865 0.000) 12.246 4.538 ( -6.794 -0.333 0.000) 6.802 4.556 ( 1.468 -23.993 0.000) 24.038 4.575 ( -4.743 -4.923 0.000) 6.836 5.080 ( -5.712 3.785 0.000) 6.852 5.154 ( 6.458 1.985 0.000) 6.756 5.209 ( 7.601 -4.777 0.000) 8.978 5.226 ( -9.055 -9.557 0.000) 13.165 5.803 ( 8.985 0.118 0.000) 8.986 5.810 ( -1.150 5.836 0.000) 5.949 5.852 ( 1.155 0.768 0.000) 1.387 5.868 ( 9.360 -5.970 0.000) 11.102 6.081 ( 0.976 4.909 0.000) 5.005 6.104 ( -7.611 10.683 0.000) 13.116 6.244 ( -3.257 -10.375 0.000) 10.874 6.288 ( -8.970 -5.144 0.000) 10.341 6.639 ( 2.523 14.314 0.000) 14.534 6.793 ( -3.570 5.330 0.000) 6.415 6.874 ( -4.405 -4.480 0.000) 6.283 6.964 ( 3.448 -14.600 0.000) 15.001 7.141 ( -4.313 6.199 0.000) 7.552 7.161 ( -2.693 8.259 0.000) 8.687 7.282 ( -4.128 -7.519 0.000) 8.577 7.307 ( -2.956 -7.756 0.000) 8.301 7.674 ( 3.887 7.530 0.000) 8.474 7.733 ( 0.222 0.047 0.000) 0.227 7.770 ( 2.180 -4.089 0.000) 4.634 7.797 ( 1.613 -5.640 0.000) 5.866 8.194 ( -0.477 6.407 0.000) 6.425 8.272 ( -3.728 1.911 0.000) 4.189 8.420 ( -15.982 8.589 0.000) 18.144 8.448 ( 5.141 11.884 0.000) 12.949 8.574 ( -14.491 -7.776 0.000) 16.445 8.809 ( 4.147 -22.348 0.000) 22.729 9.004 ( -0.160 13.524 0.000) 13.525 9.178 ( 5.728 -5.466 0.000) 7.917 9.308 ( 1.203 6.305 0.000) 6.419 9.337 ( 33.443 23.604 0.000) 40.934 9.492 ( -8.675 -12.636 0.000) 15.327 9.800 ( 29.435 -24.346 0.000) 38.199 10.203 ( -5.103 13.867 0.000) 14.777 10.444 ( -5.419 -9.155 0.000) 10.639 10.566 ( 12.868 1.625 0.000) 12.970 10.596 ( 10.647 -1.609 0.000) 10.768 11.052 ( 1.293 0.590 0.000) 1.421 11.150 ( 0.823 -8.909 0.000) 8.947 11.259 ( -7.998 3.301 0.000) 8.652 11.293 ( -9.912 -0.258 0.000) 9.916 11.856 ( 4.092 12.001 0.000) 12.680 12.067 ( 6.771 -10.186 0.000) 12.231 12.356 ( -1.794 1.311 0.000) 2.222 12.388 ( -2.202 -2.073 0.000) 3.024 12.414 ( -1.406 10.596 0.000) 10.689 12.534 ( 0.784 -3.010 0.000) 3.110 13.086 ( -8.390 8.651 0.000) 12.051 13.216 ( -4.313 -4.218 0.000) 6.033 13.283 ( 11.689 4.282 0.000) 12.449 13.360 ( 12.691 -3.883 0.000) 13.272 13.391 ( 11.141 9.414 0.000) 14.586 13.622 ( 0.143 -14.157 0.000) 14.158 13.676 ( -2.837 6.061 0.000) 6.692 13.797 ( -1.193 -6.713 0.000) 6.818 14.237 ( -7.902 1.816 0.000) 8.108 14.325 ( -7.417 -7.093 0.000) 10.262 14.671 ( 8.234 6.725 0.000) 10.631 14.882 ( 19.995 -18.682 0.000) 27.365 14.885 ( 8.664 2.037 0.000) 8.900 14.911 ( 8.968 -0.720 0.000) 8.997 16.094 ( -2.739 8.223 0.000) 8.668 16.241 ( -8.330 0.704 0.000) 8.360 16.250 ( -8.455 -0.265 0.000) 8.459 16.272 ( -2.995 -10.503 0.000) 10.922 19.376 ( -23.041 38.213 0.000) 44.622 19.499 ( -17.652 23.847 0.000) 29.669 19.999 ( -13.055 -29.404 0.000) 32.172 20.021 ( -17.134 -32.659 0.000) 36.881 22.047 ( 11.104 17.413 0.000) 20.652 22.306 ( 13.465 -10.544 0.000) 17.102 22.488 ( -0.672 9.323 0.000) 9.347 22.607 ( 3.908 -4.098 0.000) 5.663 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.33 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -3.790 8.077 0.000) 8.922 1.420 ( -0.866 5.881 0.000) 5.944 1.471 ( -2.848 -2.299 0.000) 3.660 1.534 ( -0.962 -6.057 0.000) 6.133 1.804 ( 13.960 8.981 0.000) 16.599 2.125 ( 6.116 -20.887 0.000) 21.764 2.232 ( 18.466 13.718 0.000) 23.004 2.409 ( 3.085 -5.229 0.000) 6.072 2.692 ( 2.035 2.510 0.000) 3.232 2.707 ( -2.821 2.165 0.000) 3.556 2.762 ( 2.995 -5.825 0.000) 6.550 2.802 ( 0.348 -6.362 0.000) 6.371 2.931 ( -2.593 1.565 0.000) 3.029 3.026 ( 5.675 -7.890 0.000) 9.719 3.060 ( 16.931 6.347 0.000) 18.081 3.159 ( 13.286 -3.127 0.000) 13.649 3.295 ( 4.101 3.770 0.000) 5.571 3.337 ( 6.760 -0.689 0.000) 6.795 3.588 ( 2.639 9.643 0.000) 9.998 3.692 ( 6.031 -1.218 0.000) 6.153 3.736 ( 8.793 4.268 0.000) 9.774 3.822 ( 6.041 -3.531 0.000) 6.997 3.998 ( -1.001 7.674 0.000) 7.739 4.030 ( -2.598 3.910 0.000) 4.694 4.046 ( -5.777 14.536 0.000) 15.642 4.120 ( -8.305 -2.973 0.000) 8.821 4.226 ( -5.381 -11.164 0.000) 12.393 4.237 ( 19.920 20.470 0.000) 28.563 4.273 ( -4.860 -11.525 0.000) 12.508 4.388 ( -7.568 2.108 0.000) 7.856 4.484 ( -5.723 -6.906 0.000) 8.969 4.615 ( -1.466 -9.513 0.000) 9.625 5.040 ( -6.954 -4.426 0.000) 8.242 5.098 ( 10.093 -13.528 0.000) 16.878 5.256 ( 3.510 5.819 0.000) 6.796 5.350 ( 6.747 -4.166 0.000) 7.929 5.790 ( -0.901 8.321 0.000) 8.370 5.872 ( 0.624 -0.216 0.000) 0.660 5.916 ( -0.672 -0.871 0.000) 1.100 5.944 ( -4.016 -1.979 0.000) 4.477 6.068 ( 8.488 7.694 0.000) 11.456 6.118 ( 0.680 1.465 0.000) 1.615 6.209 ( 1.953 -7.624 0.000) 7.871 6.215 ( 2.360 -2.666 0.000) 3.560 6.638 ( -3.138 13.509 0.000) 13.869 6.688 ( -6.849 8.214 0.000) 10.695 6.822 ( -1.165 -6.539 0.000) 6.642 6.970 ( -6.030 -15.656 0.000) 16.777 7.057 ( -4.252 4.352 0.000) 6.085 7.065 ( -3.323 8.448 0.000) 9.078 7.188 ( -4.917 -8.408 0.000) 9.741 7.226 ( -5.310 -7.451 0.000) 9.150 7.725 ( 2.017 4.947 0.000) 5.342 7.736 ( 0.473 1.709 0.000) 1.773 7.804 ( -0.520 -3.159 0.000) 3.202 7.812 ( 1.583 -6.801 0.000) 6.983 8.071 ( -8.965 12.561 0.000) 15.432 8.144 ( -12.042 11.242 0.000) 16.474 8.217 ( -2.369 -1.282 0.000) 2.694 8.331 ( -10.379 -8.409 0.000) 13.358 8.538 ( 5.722 5.990 0.000) 8.284 8.765 ( -3.406 -16.400 0.000) 16.750 8.918 ( -6.762 11.538 0.000) 13.374 9.135 ( -11.591 -11.440 0.000) 16.286 9.469 ( 11.751 0.339 0.000) 11.756 9.486 ( 10.520 -1.343 0.000) 10.605 9.951 ( 15.011 13.891 0.000) 20.452 10.068 ( 7.089 11.696 0.000) 13.676 10.230 ( -2.079 -6.253 0.000) 6.590 10.437 ( 15.020 -17.407 0.000) 22.992 10.657 ( -1.202 1.956 0.000) 2.296 10.704 ( 2.170 -3.168 0.000) 3.840 11.128 ( 5.871 0.892 0.000) 5.939 11.186 ( 2.318 -4.957 0.000) 5.472 11.238 ( 2.430 3.481 0.000) 4.245 11.272 ( 5.786 0.400 0.000) 5.800 11.936 ( 4.247 15.123 0.000) 15.708 12.198 ( 6.091 -11.968 0.000) 13.429 12.328 ( -7.609 13.752 0.000) 15.716 12.337 ( 1.141 1.008 0.000) 1.523 12.369 ( 1.723 -2.630 0.000) 3.144 12.495 ( -4.558 -4.381 0.000) 6.322 12.887 ( -12.287 6.788 0.000) 14.037 13.040 ( -13.373 -9.253 0.000) 16.262 13.384 ( 0.423 4.538 0.000) 4.558 13.464 ( -0.215 -3.827 0.000) 3.833 13.504 ( 0.798 5.184 0.000) 5.245 13.572 ( -3.564 -2.170 0.000) 4.173 13.737 ( 7.936 7.013 0.000) 10.591 13.879 ( 8.296 -7.842 0.000) 11.416 14.073 ( -7.791 3.501 0.000) 8.542 14.186 ( -5.516 -8.186 0.000) 9.871 14.961 ( 18.987 12.735 0.000) 22.862 15.066 ( 10.196 2.649 0.000) 10.535 15.103 ( 11.138 -1.305 0.000) 11.214 15.286 ( 18.450 -22.593 0.000) 29.170 16.021 ( -5.163 7.810 0.000) 9.362 16.045 ( -11.460 1.451 0.000) 11.552 16.071 ( -9.449 -1.746 0.000) 9.609 16.194 ( -5.263 -10.492 0.000) 11.738 19.046 ( -11.669 37.592 0.000) 39.362 19.194 ( -13.915 27.613 0.000) 30.921 19.738 ( -11.663 -36.950 0.000) 38.747 19.767 ( -10.618 -33.409 0.000) 35.056 22.237 ( 8.402 18.952 0.000) 20.731 22.467 ( -1.481 14.254 0.000) 14.331 22.522 ( 8.977 -11.743 0.000) 14.781 22.666 ( 2.144 -7.498 0.000) 7.799 ======================= Grid point 22 (15/60) ======================= q-point: ( 0.44 0.40 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 1.360 6.591 0.000) 6.730 1.379 ( -2.832 6.049 0.000) 6.679 1.457 ( 1.296 -6.308 0.000) 6.440 1.499 ( -2.446 -6.616 0.000) 7.054 2.087 ( 14.753 3.683 0.000) 15.206 2.272 ( 9.311 -14.376 0.000) 17.128 2.325 ( -9.335 2.334 0.000) 9.622 2.425 ( -3.040 -6.795 0.000) 7.444 2.685 ( 1.695 6.193 0.000) 6.421 2.698 ( -0.181 4.545 0.000) 4.549 2.794 ( 1.112 -5.975 0.000) 6.078 2.810 ( -0.650 -6.318 0.000) 6.351 2.953 ( 7.397 11.323 0.000) 13.525 3.137 ( -8.556 10.702 0.000) 13.701 3.189 ( 9.221 -11.556 0.000) 14.784 3.280 ( 2.413 -2.381 0.000) 3.390 3.440 ( 7.212 3.740 0.000) 8.124 3.544 ( 14.620 -5.601 0.000) 15.657 3.571 ( -4.560 10.600 0.000) 11.539 3.733 ( -3.017 -4.533 0.000) 5.446 3.889 ( 3.749 5.657 0.000) 6.786 3.914 ( -4.588 3.757 0.000) 5.930 3.924 ( 2.173 2.886 0.000) 3.612 3.995 ( -2.972 -3.457 0.000) 4.559 4.031 ( 7.805 1.264 0.000) 7.907 4.094 ( 1.917 1.981 0.000) 2.757 4.157 ( -4.739 -9.487 0.000) 10.604 4.160 ( -1.105 -2.834 0.000) 3.041 4.295 ( -1.797 1.409 0.000) 2.284 4.369 ( -5.602 6.739 0.000) 8.764 4.389 ( -0.796 -7.988 0.000) 8.028 4.499 ( -8.540 -6.265 0.000) 10.592 5.088 ( 11.194 12.404 0.000) 16.708 5.256 ( -4.305 11.909 0.000) 12.663 5.359 ( 11.545 -12.429 0.000) 16.964 5.443 ( 1.926 -5.744 0.000) 6.059 5.790 ( 1.441 4.511 0.000) 4.735 5.845 ( -3.702 -0.159 0.000) 3.705 5.873 ( -0.109 -2.390 0.000) 2.393 5.890 ( -2.129 -3.657 0.000) 4.232 6.113 ( 1.179 7.587 0.000) 7.678 6.172 ( -1.705 7.524 0.000) 7.715 6.314 ( 7.185 0.619 0.000) 7.212 6.324 ( 7.298 -13.116 0.000) 15.010 6.552 ( -6.482 16.199 0.000) 17.448 6.553 ( -4.684 9.916 0.000) 10.967 6.807 ( -1.391 -10.066 0.000) 10.161 6.813 ( -5.346 -7.573 0.000) 9.270 6.993 ( -1.145 4.153 0.000) 4.308 7.028 ( -2.864 0.126 0.000) 2.867 7.127 ( -1.251 -9.857 0.000) 9.937 7.138 ( -2.721 -9.754 0.000) 10.127 7.744 ( 0.196 3.714 0.000) 3.719 7.748 ( 0.017 4.107 0.000) 4.108 7.798 ( 0.717 -0.360 0.000) 0.802 7.819 ( -0.756 -4.209 0.000) 4.276 7.962 ( -2.019 11.145 0.000) 11.327 7.986 ( -4.547 11.392 0.000) 12.266 8.170 ( -1.573 -7.695 0.000) 7.854 8.191 ( -4.212 -9.118 0.000) 10.044 8.669 ( 7.846 1.335 0.000) 7.959 8.750 ( 2.290 -6.631 0.000) 7.016 8.795 ( -5.848 3.924 0.000) 7.042 8.892 ( -11.896 -6.160 0.000) 13.396 9.679 ( 10.736 3.228 0.000) 11.211 9.750 ( 14.310 -4.094 0.000) 14.884 9.866 ( -8.745 6.910 0.000) 11.145 10.005 ( -12.291 -7.433 0.000) 14.363 10.471 ( 14.390 12.056 0.000) 18.772 10.620 ( -3.049 5.809 0.000) 6.561 10.686 ( 7.324 -10.763 0.000) 13.019 10.732 ( 0.819 -6.306 0.000) 6.359 11.221 ( 2.777 1.022 0.000) 2.959 11.260 ( 6.070 -2.909 0.000) 6.731 11.263 ( -0.964 4.404 0.000) 4.508 11.337 ( -0.632 -2.850 0.000) 2.919 12.025 ( 5.509 17.310 0.000) 18.165 12.161 ( -8.758 16.702 0.000) 18.858 12.283 ( 4.330 -8.256 0.000) 9.323 12.386 ( -6.182 -6.372 0.000) 8.878 12.429 ( 8.510 1.670 0.000) 8.672 12.504 ( 11.616 -7.278 0.000) 13.708 12.641 ( -12.891 4.029 0.000) 13.506 12.762 ( -14.779 -9.331 0.000) 17.478 13.395 ( 1.830 3.235 0.000) 3.716 13.452 ( 0.452 -2.827 0.000) 2.863 13.455 ( -3.971 2.836 0.000) 4.880 13.499 ( -4.007 -1.682 0.000) 4.346 13.880 ( 6.040 7.235 0.000) 9.425 13.968 ( -3.964 6.546 0.000) 7.652 14.026 ( 6.251 -8.183 0.000) 10.298 14.112 ( -3.285 -8.548 0.000) 9.158 15.252 ( 8.015 4.564 0.000) 9.223 15.263 ( 9.349 10.614 0.000) 14.144 15.322 ( 11.318 -2.849 0.000) 11.671 15.471 ( -0.965 -10.384 0.000) 10.429 15.863 ( -5.136 3.881 0.000) 6.438 15.901 ( -6.629 7.391 0.000) 9.929 15.972 ( 1.357 -8.857 0.000) 8.960 16.076 ( -6.951 -11.235 0.000) 13.211 18.926 ( -1.252 34.052 0.000) 34.075 18.988 ( -7.410 30.735 0.000) 31.615 19.597 ( -3.095 -37.548 0.000) 37.675 19.616 ( -4.864 -36.131 0.000) 36.457 22.362 ( 4.846 18.912 0.000) 19.523 22.430 ( -2.539 17.414 0.000) 17.598 22.645 ( 4.075 -11.576 0.000) 12.272 22.684 ( -0.336 -10.138 0.000) 10.144 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( 0.000 0.000 28.124) 28.124 0.679 ( 0.000 0.000 33.569) 33.569 0.930 ( 0.000 0.000 46.971) 46.971 1.296 ( 0.000 0.000 5.213) 5.213 1.509 ( 0.000 0.000 -5.141) 5.141 1.643 ( 0.000 0.000 -11.464) 11.464 1.867 ( 0.000 0.000 -10.482) 10.482 2.033 ( 0.000 0.000 -1.637) 1.637 2.139 ( 0.000 0.000 -3.742) 3.742 2.166 ( 0.000 0.000 -2.514) 2.514 2.398 ( 0.000 0.000 -0.338) 0.338 2.510 ( 0.000 0.000 -10.296) 10.296 2.558 ( 0.000 0.000 -16.598) 16.598 2.776 ( 0.000 0.000 1.844) 1.844 2.948 ( 0.000 0.000 4.348) 4.348 3.012 ( 0.000 0.000 3.742) 3.742 3.171 ( 0.000 0.000 11.523) 11.523 3.204 ( 0.000 0.000 -0.505) 0.505 3.347 ( 0.000 0.000 10.554) 10.554 3.468 ( 0.000 0.000 -1.419) 1.419 3.542 ( 0.000 0.000 -0.276) 0.276 3.620 ( 0.000 0.000 -0.617) 0.617 3.636 ( 0.000 0.000 10.258) 10.258 4.140 ( 0.000 0.000 11.358) 11.358 4.174 ( 0.000 0.000 2.715) 2.715 4.343 ( 0.000 0.000 -11.592) 11.592 4.359 ( 0.000 0.000 0.007) 0.007 4.469 ( 0.000 0.000 -7.779) 7.779 4.622 ( 0.000 0.000 -13.479) 13.479 4.660 ( 0.000 0.000 3.167) 3.167 4.816 ( 0.000 0.000 -0.648) 0.648 4.953 ( 0.000 0.000 -15.409) 15.409 5.120 ( 0.000 0.000 13.830) 13.830 5.133 ( 0.000 0.000 -9.518) 9.518 5.323 ( 0.000 0.000 -11.281) 11.281 5.554 ( 0.000 0.000 9.812) 9.812 5.642 ( 0.000 0.000 13.703) 13.703 5.817 ( 0.000 0.000 5.736) 5.736 5.969 ( 0.000 0.000 0.122) 0.122 6.018 ( 0.000 0.000 -5.439) 5.439 6.172 ( 0.000 0.000 -1.148) 1.148 6.255 ( 0.000 0.000 0.949) 0.949 6.292 ( 0.000 0.000 -1.130) 1.130 6.523 ( 0.000 0.000 0.350) 0.350 6.546 ( 0.000 0.000 3.690) 3.690 6.763 ( 0.000 0.000 -1.817) 1.817 6.854 ( 0.000 0.000 -1.265) 1.265 6.939 ( 0.000 0.000 2.666) 2.666 6.962 ( 0.000 0.000 -6.746) 6.746 7.051 ( 0.000 0.000 -4.751) 4.751 7.194 ( 0.000 0.000 5.233) 5.233 7.214 ( 0.000 0.000 -0.229) 0.229 7.465 ( 0.000 0.000 1.809) 1.809 7.621 ( 0.000 0.000 -2.682) 2.682 7.832 ( 0.000 0.000 3.735) 3.735 7.849 ( 0.000 0.000 1.815) 1.815 7.891 ( 0.000 0.000 1.544) 1.544 8.045 ( 0.000 0.000 0.348) 0.348 8.078 ( 0.000 0.000 -3.174) 3.174 8.212 ( 0.000 0.000 -7.256) 7.256 8.503 ( 0.000 0.000 6.064) 6.064 8.668 ( 0.000 0.000 1.332) 1.332 8.675 ( 0.000 0.000 -0.706) 0.706 8.954 ( 0.000 0.000 -5.975) 5.975 9.407 ( 0.000 0.000 3.328) 3.328 9.567 ( 0.000 0.000 -2.743) 2.743 9.613 ( 0.000 0.000 -3.736) 3.736 9.762 ( 0.000 0.000 -5.315) 5.315 9.891 ( 0.000 0.000 11.817) 11.817 9.970 ( 0.000 0.000 5.237) 5.237 9.991 ( 0.000 0.000 6.267) 6.267 10.513 ( 0.000 0.000 -4.125) 4.125 11.151 ( 0.000 0.000 -4.901) 4.901 11.269 ( 0.000 0.000 -3.295) 3.295 11.545 ( 0.000 0.000 7.864) 7.864 11.650 ( 0.000 0.000 1.430) 1.430 11.794 ( 0.000 0.000 3.055) 3.055 12.154 ( 0.000 0.000 -1.910) 1.910 12.157 ( 0.000 0.000 -3.680) 3.680 12.188 ( 0.000 0.000 -5.604) 5.604 12.416 ( 0.000 0.000 -1.621) 1.621 12.584 ( 0.000 0.000 9.064) 9.064 12.599 ( 0.000 0.000 5.949) 5.949 12.877 ( 0.000 0.000 2.511) 2.511 13.020 ( 0.000 0.000 -0.529) 0.529 13.120 ( 0.000 0.000 -1.491) 1.491 13.152 ( 0.000 0.000 -0.409) 0.409 13.153 ( 0.000 0.000 -13.595) 13.595 13.944 ( 0.000 0.000 -5.233) 5.233 14.254 ( 0.000 0.000 -5.994) 5.994 14.566 ( 0.000 0.000 2.071) 2.071 14.640 ( 0.000 0.000 1.910) 1.910 14.670 ( 0.000 0.000 15.224) 15.224 14.719 ( 0.000 0.000 0.367) 0.367 14.757 ( 0.000 0.000 -0.213) 0.213 15.472 ( 0.000 0.000 2.267) 2.267 16.322 ( 0.000 0.000 -3.409) 3.409 16.406 ( 0.000 0.000 0.749) 0.749 16.411 ( 0.000 0.000 -2.785) 2.785 16.552 ( 0.000 0.000 -1.282) 1.282 19.692 ( 0.000 0.000 0.645) 0.645 19.699 ( 0.000 0.000 0.470) 0.470 20.374 ( 0.000 0.000 1.440) 1.440 20.686 ( 0.000 0.000 -5.449) 5.449 21.354 ( 0.000 0.000 5.932) 5.932 21.700 ( 0.000 0.000 4.338) 4.338 21.798 ( 0.000 0.000 -2.763) 2.763 22.404 ( 0.000 0.000 -7.275) 7.275 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.11 0.00 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 17.815 0.000 25.469) 31.081 0.886 ( 19.715 0.000 23.875) 30.963 1.416 ( 42.604 0.000 20.603) 47.324 1.438 ( 3.710 0.000 4.021) 5.471 1.535 ( -1.647 0.000 -7.947) 8.116 1.541 ( 4.461 0.000 -2.803) 5.269 1.619 ( -6.211 0.000 5.360) 8.203 2.060 ( 5.399 0.000 -9.661) 11.067 2.186 ( 6.680 0.000 -9.033) 11.235 2.335 ( 11.372 0.000 -1.279) 11.444 2.510 ( 10.745 0.000 -0.143) 10.746 2.586 ( 0.330 0.000 -10.431) 10.436 2.633 ( 10.252 0.000 -8.060) 13.040 2.811 ( 6.154 0.000 4.194) 7.447 2.955 ( 0.554 0.000 -1.950) 2.028 3.014 ( -0.312 0.000 3.590) 3.604 3.137 ( -1.043 0.000 7.698) 7.769 3.288 ( 6.053 0.000 8.019) 10.047 3.361 ( -11.082 0.000 -0.424) 11.090 3.416 ( 6.879 0.000 4.744) 8.356 3.463 ( -1.657 0.000 -0.546) 1.744 3.594 ( -4.287 0.000 9.487) 10.410 3.694 ( 3.903 0.000 -4.165) 5.708 4.063 ( -8.079 0.000 -1.114) 8.155 4.082 ( -4.407 0.000 8.861) 9.896 4.389 ( 2.260 0.000 1.191) 2.554 4.410 ( 3.631 0.000 -7.453) 8.290 4.467 ( -0.762 0.000 -5.819) 5.869 4.575 ( -5.527 0.000 -7.646) 9.434 4.646 ( -1.285 0.000 3.636) 3.856 4.680 ( -5.775 0.000 1.219) 5.902 4.965 ( 0.182 0.000 -17.811) 17.812 5.056 ( -5.609 0.000 12.430) 13.637 5.086 ( -3.447 0.000 -9.763) 10.353 5.379 ( 4.812 0.000 -10.617) 11.656 5.559 ( -0.349 0.000 7.950) 7.957 5.716 ( -0.996 0.000 12.703) 12.742 5.806 ( -1.469 0.000 6.456) 6.621 5.926 ( -7.237 0.000 -8.465) 11.137 5.930 ( -0.430 0.000 4.751) 4.770 6.011 ( 2.881 0.000 1.146) 3.101 6.159 ( -2.659 0.000 0.750) 2.763 6.249 ( 1.920 0.000 1.251) 2.291 6.494 ( -4.191 0.000 5.597) 6.992 6.567 ( 2.240 0.000 1.828) 2.891 6.829 ( -1.464 0.000 -3.389) 3.691 6.862 ( -8.773 0.000 -2.314) 9.073 6.978 ( 1.769 0.000 -7.165) 7.380 6.981 ( 10.403 0.000 1.898) 10.574 7.235 ( -0.339 0.000 0.324) 0.469 7.271 ( 7.554 0.000 4.542) 8.814 7.487 ( -0.463 0.000 -0.821) 0.942 7.522 ( 5.141 0.000 2.384) 5.667 7.757 ( 5.566 0.000 -5.368) 7.733 7.881 ( 1.223 0.000 3.524) 3.730 7.882 ( 1.468 0.000 1.191) 1.890 8.012 ( 20.864 0.000 -0.191) 20.865 8.128 ( 4.332 0.000 -3.815) 5.772 8.196 ( -3.057 0.000 -4.454) 5.402 8.443 ( -2.893 0.000 3.746) 4.734 8.484 ( -14.779 0.000 1.619) 14.867 8.654 ( -3.039 0.000 3.657) 4.755 8.990 ( -2.740 0.000 -1.395) 3.075 9.000 ( 18.029 0.000 -24.105) 30.102 9.189 ( -8.489 0.000 -1.472) 8.616 9.562 ( 26.600 0.000 -26.706) 37.693 9.806 ( 7.604 0.000 -1.527) 7.756 9.818 ( 1.814 0.000 -5.649) 5.933 9.955 ( -2.355 0.000 6.730) 7.130 10.019 ( 12.660 0.000 7.499) 14.715 10.248 ( 22.575 0.000 -3.799) 22.892 10.514 ( 1.487 0.000 -2.950) 3.303 11.204 ( -0.732 0.000 -10.325) 10.351 11.243 ( -2.969 0.000 -4.127) 5.084 11.589 ( -17.932 0.000 -0.346) 17.935 11.602 ( -0.389 0.000 5.208) 5.223 11.723 ( 6.992 0.000 2.561) 7.446 11.819 ( -11.342 0.000 -9.658) 14.896 12.173 ( 1.412 0.000 -0.485) 1.493 12.346 ( -0.771 0.000 2.568) 2.681 12.432 ( 0.796 0.000 -1.677) 1.856 12.610 ( 2.255 0.000 8.190) 8.494 12.631 ( 9.571 0.000 -8.686) 12.924 12.984 ( -3.767 0.000 0.108) 3.768 13.063 ( 5.304 0.000 -2.377) 5.813 13.065 ( 13.181 0.000 -3.193) 13.563 13.166 ( 2.759 0.000 -0.407) 2.789 13.384 ( 5.305 0.000 -12.901) 13.949 13.926 ( -1.611 0.000 -3.906) 4.225 14.407 ( 1.537 0.000 2.127) 2.624 14.533 ( -2.412 0.000 2.096) 3.196 14.593 ( -4.173 0.000 10.447) 11.250 14.601 ( 2.521 0.000 -2.872) 3.822 14.726 ( -1.348 0.000 1.145) 1.769 14.822 ( 6.973 0.000 7.128) 9.972 15.524 ( 4.206 0.000 -11.234) 11.996 16.326 ( -5.562 0.000 -1.834) 5.857 16.334 ( -0.417 0.000 -2.744) 2.776 16.437 ( -0.184 0.000 -0.266) 0.324 16.536 ( -1.656 0.000 -1.460) 2.207 18.483 ( -43.189 0.000 42.336) 60.479 19.431 ( -22.829 0.000 -1.594) 22.884 20.885 ( 14.584 0.000 -4.942) 15.399 21.265 ( -7.087 0.000 6.024) 9.302 21.324 ( -10.894 0.000 -6.147) 12.508 21.534 ( 26.613 0.000 -29.036) 39.387 22.146 ( 19.942 0.000 -0.081) 19.942 22.480 ( 7.068 0.000 -5.708) 9.085 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.22 0.00 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 13.339 0.000 11.020) 17.303 1.245 ( 17.897 0.000 13.097) 22.177 1.286 ( -8.121 0.000 -0.795) 8.159 1.563 ( 1.718 0.000 -2.079) 2.697 1.608 ( 8.882 0.000 0.665) 8.907 1.689 ( 9.276 0.000 -1.259) 9.361 2.187 ( 14.104 0.000 -2.360) 14.300 2.362 ( 36.250 0.000 4.605) 36.541 2.422 ( 12.730 0.000 -8.118) 15.099 2.579 ( 12.285 0.000 -2.994) 12.644 2.594 ( 6.182 0.000 -4.037) 7.384 2.756 ( 14.743 0.000 2.223) 14.909 2.838 ( 7.342 0.000 -7.347) 10.386 2.907 ( 2.572 0.000 6.904) 7.367 2.998 ( 5.650 0.000 -5.456) 7.854 3.037 ( 3.079 0.000 4.320) 5.305 3.137 ( -7.959 0.000 3.125) 8.551 3.171 ( 3.824 0.000 7.250) 8.197 3.390 ( 2.094 0.000 10.836) 11.036 3.484 ( 4.384 0.000 -3.830) 5.821 3.490 ( -1.951 0.000 5.986) 6.296 3.601 ( 10.000 0.000 0.400) 10.008 3.735 ( 0.405 0.000 -4.026) 4.046 3.934 ( -3.946 0.000 -3.925) 5.566 3.988 ( -4.966 0.000 5.075) 7.101 4.368 ( -9.764 0.000 -3.924) 10.523 4.422 ( -0.789 0.000 3.415) 3.505 4.432 ( -1.216 0.000 -1.170) 1.688 4.473 ( -4.508 0.000 2.475) 5.143 4.589 ( -2.738 0.000 -5.039) 5.734 4.612 ( -2.850 0.000 1.798) 3.370 4.922 ( -6.428 0.000 3.884) 7.510 5.007 ( 2.725 0.000 -13.309) 13.585 5.037 ( -1.658 0.000 -10.446) 10.576 5.481 ( -1.087 0.000 -10.325) 10.382 5.493 ( -1.244 0.000 6.000) 6.128 5.686 ( -0.258 0.000 12.542) 12.544 5.727 ( -5.653 0.000 -3.209) 6.500 5.848 ( -0.822 0.000 -1.360) 1.589 5.960 ( -0.171 0.000 -0.397) 0.432 6.063 ( 1.951 0.000 1.889) 2.715 6.071 ( -6.558 0.000 2.394) 6.981 6.314 ( 4.086 0.000 1.757) 4.448 6.457 ( 1.777 0.000 7.809) 8.009 6.605 ( -5.782 0.000 -0.154) 5.784 6.682 ( -1.729 0.000 2.372) 2.936 6.782 ( -3.232 0.000 -1.666) 3.636 7.020 ( 1.250 0.000 -9.085) 9.171 7.037 ( -1.840 0.000 1.251) 2.225 7.161 ( -4.700 0.000 0.264) 4.707 7.390 ( 4.131 0.000 3.655) 5.516 7.545 ( 4.027 0.000 1.243) 4.215 7.606 ( 3.311 0.000 1.017) 3.464 7.753 ( -4.951 0.000 -0.041) 4.951 7.868 ( -3.433 0.000 -0.295) 3.446 7.918 ( 2.079 0.000 -4.525) 4.980 8.051 ( -10.331 0.000 2.710) 10.681 8.059 ( -11.740 0.000 3.225) 12.175 8.323 ( 6.800 0.000 0.488) 6.817 8.402 ( -2.215 0.000 -1.084) 2.466 8.548 ( -4.862 0.000 6.356) 8.002 8.733 ( 7.313 0.000 -1.062) 7.390 8.770 ( 19.756 0.000 1.578) 19.819 9.100 ( 5.813 0.000 -8.311) 10.142 9.253 ( 9.629 0.000 -0.468) 9.641 9.556 ( -8.993 0.000 5.494) 10.539 9.777 ( -9.753 0.000 -2.855) 10.163 9.896 ( -3.444 0.000 5.713) 6.670 10.272 ( 10.307 0.000 3.320) 10.829 10.275 ( 23.021 0.000 -23.723) 33.057 10.615 ( 8.876 0.000 -2.625) 9.256 10.623 ( 15.238 0.000 -1.948) 15.362 11.108 ( -5.115 0.000 -2.940) 5.900 11.167 ( -3.944 0.000 -3.545) 5.303 11.281 ( -10.902 0.000 -0.961) 10.944 11.495 ( -6.094 0.000 -5.828) 8.432 11.707 ( -3.558 0.000 4.362) 5.629 11.860 ( 5.191 0.000 4.539) 6.895 12.251 ( 5.823 0.000 -1.591) 6.036 12.339 ( -0.549 0.000 0.508) 0.748 12.426 ( -1.004 0.000 -1.210) 1.572 12.642 ( 0.263 0.000 6.995) 7.000 12.820 ( 8.908 0.000 -23.937) 25.541 12.882 ( -6.831 0.000 0.044) 6.831 13.152 ( 1.457 0.000 -6.462) 6.624 13.167 ( 1.881 0.000 -6.832) 7.086 13.316 ( 6.358 0.000 -9.850) 11.724 13.397 ( -2.657 0.000 -6.031) 6.590 13.908 ( 0.518 0.000 0.314) 0.606 14.269 ( -8.686 0.000 17.327) 19.382 14.502 ( -1.362 0.000 12.651) 12.724 14.561 ( -5.461 0.000 2.361) 5.950 14.574 ( 4.718 0.000 6.422) 7.969 14.860 ( 10.147 0.000 3.636) 10.779 14.973 ( 9.118 0.000 7.199) 11.618 15.591 ( 2.252 0.000 -19.320) 19.451 16.189 ( -9.141 0.000 -2.482) 9.473 16.260 ( -7.282 0.000 2.830) 7.813 16.410 ( -2.185 0.000 0.111) 2.187 16.495 ( -2.654 0.000 -2.999) 4.004 18.056 ( -8.498 0.000 19.696) 21.451 18.973 ( -23.544 0.000 -3.677) 23.829 20.945 ( -8.772 0.000 -1.837) 8.963 21.024 ( -14.732 0.000 0.335) 14.736 21.305 ( 11.796 0.000 2.610) 12.081 21.806 ( 4.026 0.000 -17.198) 17.663 22.487 ( 15.372 0.000 -0.106) 15.372 22.631 ( 8.041 0.000 -3.225) 8.664 ======================= Grid point 48 (19/60) ======================= q-point: ( 0.33 0.00 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -2.128 0.000 0.893) 2.308 1.315 ( -1.438 0.000 1.721) 2.243 1.474 ( 6.083 0.000 0.670) 6.120 1.585 ( 0.625 0.000 -7.503) 7.529 1.957 ( 18.476 0.000 2.750) 18.679 1.971 ( 24.380 0.000 9.195) 26.056 2.392 ( 8.397 0.000 -1.743) 8.576 2.490 ( -0.371 0.000 -0.603) 0.708 2.632 ( 0.690 0.000 0.357) 0.777 2.786 ( -5.396 0.000 -1.262) 5.541 2.816 ( -4.717 0.000 -5.358) 7.138 2.895 ( 17.666 0.000 -4.704) 18.281 2.926 ( 8.905 0.000 -6.217) 10.860 3.042 ( 7.511 0.000 0.561) 7.532 3.083 ( 11.027 0.000 4.224) 11.808 3.106 ( 1.712 0.000 4.166) 4.504 3.213 ( -1.621 0.000 1.665) 2.324 3.356 ( 6.719 0.000 4.807) 8.261 3.404 ( 17.369 0.000 6.197) 18.441 3.581 ( 3.682 0.000 3.114) 4.822 3.635 ( 7.740 0.000 0.761) 7.777 3.714 ( 3.829 0.000 4.619) 5.999 3.774 ( 11.236 0.000 -1.947) 11.404 3.923 ( -1.463 0.000 -0.148) 1.471 4.006 ( 10.516 0.000 -5.101) 11.688 4.168 ( -8.951 0.000 -1.895) 9.149 4.299 ( -11.302 0.000 2.123) 11.500 4.386 ( -2.914 0.000 4.504) 5.364 4.393 ( -3.345 0.000 5.629) 6.548 4.512 ( -7.943 0.000 -0.716) 7.975 4.607 ( 3.174 0.000 -2.531) 4.059 4.784 ( -7.288 0.000 4.879) 8.770 4.989 ( -5.143 0.000 -7.793) 9.337 5.097 ( 6.272 0.000 -16.951) 18.074 5.260 ( -13.551 0.000 3.515) 13.999 5.548 ( -3.442 0.000 -14.876) 15.269 5.683 ( 4.018 0.000 -1.553) 4.308 5.701 ( 1.558 0.000 12.103) 12.202 5.849 ( 0.709 0.000 -0.871) 1.123 5.931 ( -1.984 0.000 -3.320) 3.867 5.939 ( -6.346 0.000 2.432) 6.796 6.067 ( -1.432 0.000 0.622) 1.561 6.387 ( -11.046 0.000 0.182) 11.048 6.395 ( 3.025 0.000 5.669) 6.426 6.520 ( 3.272 0.000 0.256) 3.282 6.742 ( 0.595 0.000 6.031) 6.061 6.763 ( 4.085 0.000 4.931) 6.403 6.982 ( -5.485 0.000 -7.598) 9.371 6.990 ( -1.516 0.000 0.371) 1.561 7.106 ( -1.368 0.000 -0.378) 1.419 7.413 ( -2.604 0.000 2.929) 3.919 7.542 ( -7.209 0.000 0.781) 7.251 7.620 ( -2.324 0.000 -0.747) 2.441 7.649 ( -1.676 0.000 3.349) 3.745 7.764 ( -1.473 0.000 0.380) 1.522 7.864 ( -5.258 0.000 3.915) 6.556 7.973 ( 0.773 0.000 4.692) 4.755 7.977 ( 0.709 0.000 -4.797) 4.849 8.320 ( -5.361 0.000 0.478) 5.383 8.366 ( -8.557 0.000 3.195) 9.134 8.556 ( 5.060 0.000 2.036) 5.454 8.574 ( 3.762 0.000 -4.688) 6.011 9.112 ( -7.542 0.000 -6.105) 9.703 9.280 ( 0.697 0.000 -7.183) 7.217 9.526 ( -1.353 0.000 0.025) 1.353 9.541 ( 9.840 0.000 2.782) 10.226 9.669 ( 28.042 0.000 7.598) 29.053 9.831 ( -3.296 0.000 3.913) 5.116 10.319 ( -5.137 0.000 -3.014) 5.956 10.518 ( 2.343 0.000 -8.864) 9.168 10.795 ( 8.189 0.000 -2.459) 8.550 10.805 ( 7.077 0.000 -2.035) 7.364 11.154 ( 3.496 0.000 -0.381) 3.516 11.156 ( 8.259 0.000 -0.076) 8.259 11.220 ( 3.211 0.000 0.325) 3.227 11.410 ( -3.197 0.000 -4.187) 5.268 11.657 ( -1.828 0.000 7.553) 7.771 11.864 ( -4.949 0.000 6.955) 8.536 12.320 ( -0.597 0.000 0.194) 0.627 12.348 ( 3.040 0.000 -1.801) 3.533 12.425 ( 1.439 0.000 -3.983) 4.235 12.627 ( -0.233 0.000 4.980) 4.986 12.728 ( -9.177 0.000 -0.654) 9.201 12.953 ( 5.124 0.000 -26.773) 27.259 13.138 ( -1.482 0.000 -10.175) 10.283 13.181 ( -0.656 0.000 -13.907) 13.922 13.259 ( -11.893 0.000 -6.799) 13.699 13.329 ( -4.062 0.000 -18.501) 18.942 13.958 ( 4.342 0.000 7.551) 8.710 14.154 ( -3.516 0.000 21.908) 22.188 14.500 ( 1.127 0.000 21.575) 21.604 14.503 ( -0.372 0.000 9.865) 9.872 14.777 ( 15.289 0.000 3.580) 15.702 15.034 ( 8.308 0.000 5.367) 9.891 15.173 ( 11.872 0.000 6.394) 13.484 15.594 ( -2.316 0.000 -15.988) 16.154 15.977 ( -12.589 0.000 -2.764) 12.889 16.081 ( -11.012 0.000 6.324) 12.698 16.372 ( -1.571 0.000 -0.316) 1.602 16.434 ( -3.602 0.000 -3.306) 4.889 18.012 ( 2.077 0.000 4.715) 5.153 18.572 ( -18.223 0.000 -4.497) 18.770 20.764 ( -8.352 0.000 -0.138) 8.353 20.791 ( -9.552 0.000 0.271) 9.556 21.520 ( 9.507 0.000 0.214) 9.509 21.809 ( -2.166 0.000 -7.681) 7.980 22.720 ( 9.077 0.000 -0.558) 9.094 22.765 ( 5.734 0.000 -1.698) 5.980 ======================= Grid point 49 (20/60) ======================= q-point: ( 0.44 0.00 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( 2.638 0.000 1.843) 3.219 1.259 ( -3.786 0.000 1.526) 4.082 1.548 ( 2.674 0.000 -4.288) 5.053 1.583 ( -0.942 0.000 -6.590) 6.657 2.288 ( 14.177 0.000 1.437) 14.250 2.382 ( 12.298 0.000 6.594) 13.954 2.481 ( 1.507 0.000 3.061) 3.412 2.483 ( 0.158 0.000 3.033) 3.037 2.644 ( 2.045 0.000 -1.406) 2.482 2.660 ( 0.203 0.000 -0.225) 0.303 2.722 ( -4.645 0.000 -2.676) 5.361 2.896 ( -16.036 0.000 6.024) 17.130 3.075 ( 4.111 0.000 -7.026) 8.140 3.089 ( 0.643 0.000 -2.849) 2.921 3.202 ( 11.022 0.000 -3.378) 11.528 3.238 ( 4.798 0.000 1.502) 5.028 3.330 ( 5.571 0.000 -1.967) 5.908 3.439 ( -6.489 0.000 -2.184) 6.847 3.583 ( 7.813 0.000 -2.677) 8.259 3.638 ( 13.902 0.000 8.049) 16.064 3.726 ( -2.890 0.000 6.109) 6.758 3.849 ( 7.757 0.000 3.863) 8.666 3.916 ( -5.487 0.000 1.431) 5.671 3.936 ( -2.553 0.000 -1.165) 2.806 4.071 ( -0.101 0.000 -0.588) 0.597 4.161 ( 1.202 0.000 -2.150) 2.463 4.246 ( 9.329 0.000 2.002) 9.541 4.338 ( -1.615 0.000 2.340) 2.843 4.340 ( -5.631 0.000 4.194) 7.022 4.347 ( -2.526 0.000 -0.290) 2.542 4.645 ( 1.946 0.000 3.725) 4.202 4.773 ( 9.119 0.000 1.421) 9.229 4.803 ( -12.547 0.000 0.218) 12.549 5.012 ( -13.125 0.000 1.489) 13.210 5.236 ( 8.388 0.000 -16.959) 18.920 5.410 ( -9.235 0.000 -16.078) 18.542 5.747 ( 3.312 0.000 7.806) 8.479 5.798 ( 4.482 0.000 -5.012) 6.724 5.826 ( -2.369 0.000 5.082) 5.607 5.891 ( -2.814 0.000 -2.769) 3.948 5.912 ( 4.080 0.000 -2.704) 4.895 6.007 ( -4.832 0.000 -2.689) 5.529 6.261 ( -1.014 0.000 2.608) 2.798 6.333 ( -6.713 0.000 4.981) 8.359 6.656 ( 10.000 0.000 -1.693) 10.142 6.773 ( 1.245 0.000 8.049) 8.145 6.792 ( -0.602 0.000 5.950) 5.980 6.842 ( -8.823 0.000 -3.222) 9.393 7.015 ( 3.453 0.000 0.838) 3.553 7.073 ( -2.360 0.000 -0.109) 2.362 7.345 ( -1.445 0.000 2.756) 3.112 7.396 ( -6.034 0.000 3.175) 6.818 7.601 ( 0.422 0.000 0.303) 0.519 7.624 ( -1.797 0.000 -0.266) 1.816 7.796 ( 2.561 0.000 2.236) 3.400 7.821 ( -0.237 0.000 7.091) 7.095 7.983 ( 0.609 0.000 -5.288) 5.323 8.002 ( 0.528 0.000 -0.485) 0.717 8.196 ( -4.707 0.000 3.386) 5.798 8.221 ( -4.741 0.000 1.752) 5.055 8.716 ( 10.972 0.000 -1.433) 11.065 8.719 ( 8.496 0.000 -4.530) 9.628 8.927 ( -9.188 0.000 -2.985) 9.661 9.028 ( -16.871 0.000 -2.843) 17.109 9.615 ( 7.115 0.000 -0.346) 7.124 9.718 ( -1.460 0.000 -1.670) 2.218 9.846 ( 12.137 0.000 0.559) 12.150 10.091 ( -5.599 0.000 -1.286) 5.745 10.228 ( 13.119 0.000 0.733) 13.139 10.461 ( -7.212 0.000 -0.997) 7.280 10.899 ( 3.128 0.000 -1.317) 3.394 10.910 ( 2.570 0.000 -1.528) 2.990 11.264 ( 6.104 0.000 1.293) 6.240 11.291 ( 4.860 0.000 1.417) 5.063 11.308 ( 3.538 0.000 0.800) 3.627 11.353 ( -3.315 0.000 0.452) 3.346 11.641 ( 0.548 0.000 6.993) 7.014 11.720 ( -7.889 0.000 8.388) 11.515 12.342 ( 2.952 0.000 -0.381) 2.976 12.399 ( 1.372 0.000 -1.270) 1.869 12.420 ( 0.270 0.000 -1.691) 1.712 12.548 ( -9.137 0.000 -0.853) 9.177 12.715 ( 9.682 0.000 -2.519) 10.005 12.947 ( -12.050 0.000 -8.726) 14.877 13.084 ( 2.740 0.000 -23.012) 23.174 13.133 ( 0.763 0.000 -15.366) 15.385 13.151 ( -2.106 0.000 -18.386) 18.507 13.210 ( -7.145 0.000 -22.132) 23.257 14.046 ( 4.228 0.000 15.356) 15.928 14.107 ( -2.321 0.000 20.614) 20.745 14.518 ( 1.059 0.000 16.062) 16.097 14.523 ( 0.694 0.000 20.668) 20.680 15.071 ( 12.970 0.000 1.839) 13.100 15.165 ( 3.712 0.000 3.804) 5.315 15.399 ( 9.899 0.000 4.225) 10.763 15.510 ( -5.202 0.000 -8.934) 10.338 15.772 ( -5.689 0.000 -1.736) 5.948 15.860 ( -11.348 0.000 5.630) 12.667 16.355 ( -0.058 0.000 -1.147) 1.148 16.375 ( -2.211 0.000 -2.311) 3.198 18.103 ( 7.158 0.000 -1.495) 7.313 18.285 ( -12.181 0.000 -3.861) 12.778 20.656 ( -2.699 0.000 0.019) 2.699 20.665 ( -3.638 0.000 0.078) 3.639 21.663 ( 5.802 0.000 -0.921) 5.875 21.751 ( -3.768 0.000 -3.057) 4.852 22.833 ( 2.966 0.000 -1.011) 3.133 22.840 ( 1.992 0.000 -1.221) 2.336 ======================= Grid point 54 (21/60) ======================= q-point: ( 0.00 0.20 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 0.000 14.134 15.271) 20.808 0.752 ( 0.000 17.092 19.799) 26.156 1.290 ( 0.000 0.195 3.489) 3.495 1.480 ( 0.000 26.531 20.612) 33.597 1.522 ( 0.000 -0.548 -4.797) 4.828 1.625 ( 0.000 -0.269 -7.554) 7.558 1.905 ( 0.000 2.855 -11.926) 12.263 1.959 ( 0.000 9.526 12.071) 15.377 2.078 ( 0.000 -3.566 -7.225) 8.058 2.315 ( 0.000 11.468 -1.991) 11.639 2.415 ( 0.000 2.519 -0.626) 2.596 2.513 ( 0.000 -0.543 -9.613) 9.628 2.573 ( 0.000 -15.932 2.221) 16.086 2.596 ( 0.000 3.334 -16.945) 17.270 2.959 ( 0.000 1.014 6.651) 6.728 3.051 ( 0.000 -0.231 6.093) 6.097 3.156 ( 0.000 2.889 8.700) 9.167 3.177 ( 0.000 -5.603 -2.384) 6.089 3.308 ( 0.000 -0.123 7.119) 7.120 3.453 ( 0.000 -0.129 -1.215) 1.222 3.540 ( 0.000 -2.213 0.161) 2.219 3.651 ( 0.000 0.206 6.705) 6.708 3.781 ( 0.000 13.411 1.044) 13.451 4.105 ( 0.000 -15.430 -3.716) 15.871 4.243 ( 0.000 7.165 2.764) 7.679 4.275 ( 0.000 13.299 15.018) 20.059 4.342 ( 0.000 -11.523 -12.577) 17.058 4.467 ( 0.000 -3.728 -3.417) 5.057 4.562 ( 0.000 -0.205 -7.772) 7.775 4.667 ( 0.000 -10.528 3.371) 11.054 4.742 ( 0.000 -4.198 4.570) 6.205 4.892 ( 0.000 0.347 -9.960) 9.966 5.021 ( 0.000 -4.848 9.567) 10.725 5.090 ( 0.000 -5.208 -8.581) 10.038 5.377 ( 0.000 -2.272 4.883) 5.386 5.518 ( 0.000 -4.424 7.502) 8.709 5.638 ( 0.000 5.364 -1.379) 5.538 5.841 ( 0.000 -10.806 7.731) 13.287 5.851 ( 0.000 1.250 6.836) 6.949 5.947 ( 0.000 -8.600 -1.749) 8.776 6.075 ( 0.000 -10.399 1.594) 10.521 6.163 ( 0.000 -0.545 -9.801) 9.816 6.281 ( 0.000 5.835 -4.334) 7.269 6.373 ( 0.000 -1.145 2.092) 2.385 6.726 ( 0.000 -5.489 -5.511) 7.778 6.823 ( 0.000 -3.577 -2.782) 4.532 6.847 ( 0.000 14.451 0.240) 14.453 6.945 ( 0.000 -1.742 -3.665) 4.058 6.963 ( 0.000 3.491 4.584) 5.762 7.043 ( 0.000 -6.520 2.065) 6.839 7.091 ( 0.000 3.799 -1.641) 4.139 7.311 ( 0.000 4.035 0.482) 4.064 7.481 ( 0.000 -3.397 -1.799) 3.844 7.615 ( 0.000 -4.436 1.010) 4.549 7.754 ( 0.000 -12.041 -2.368) 12.272 7.767 ( 0.000 -2.656 -2.441) 3.607 7.924 ( 0.000 3.344 -0.771) 3.431 8.038 ( 0.000 0.117 -0.202) 0.233 8.121 ( 0.000 12.180 6.322) 13.723 8.327 ( 0.000 0.056 0.720) 0.722 8.657 ( 0.000 4.053 -1.192) 4.224 8.689 ( 0.000 17.346 1.111) 17.382 8.782 ( 0.000 8.116 3.185) 8.718 9.004 ( 0.000 -0.736 -0.670) 0.995 9.376 ( 0.000 -3.473 3.101) 4.656 9.555 ( 0.000 -0.946 -0.836) 1.262 9.591 ( 0.000 1.929 -1.341) 2.350 9.706 ( 0.000 -10.175 0.757) 10.203 9.799 ( 0.000 4.714 2.323) 5.256 10.056 ( 0.000 8.789 1.687) 8.949 10.380 ( 0.000 15.893 -6.067) 17.011 10.413 ( 0.000 -9.422 -3.594) 10.084 11.159 ( 0.000 0.085 -2.951) 2.952 11.255 ( 0.000 -3.505 -12.535) 13.016 11.583 ( 0.000 3.862 5.529) 6.745 11.681 ( 0.000 3.417 0.526) 3.457 11.767 ( 0.000 -1.659 1.895) 2.519 12.068 ( 0.000 -6.599 -4.026) 7.730 12.221 ( 0.000 4.157 -8.193) 9.187 12.235 ( 0.000 2.145 -5.189) 5.615 12.463 ( 0.000 5.121 -3.842) 6.402 12.588 ( 0.000 0.438 8.748) 8.759 12.608 ( 0.000 0.660 6.090) 6.125 12.849 ( 0.000 -3.653 -1.590) 3.984 13.034 ( 0.000 -4.322 -4.960) 6.579 13.096 ( 0.000 -0.610 -0.304) 0.681 13.112 ( 0.000 6.613 0.239) 6.617 13.267 ( 0.000 4.652 -4.728) 6.633 13.926 ( 0.000 -1.784 -4.226) 4.587 14.084 ( 0.000 -14.094 1.827) 14.212 14.590 ( 0.000 1.838 6.717) 6.964 14.644 ( 0.000 -0.050 8.040) 8.040 14.681 ( 0.000 1.346 9.613) 9.706 14.725 ( 0.000 0.456 0.676) 0.815 14.752 ( 0.000 -0.477 -0.083) 0.484 15.026 ( 0.000 -25.218 32.121) 40.837 16.029 ( 0.000 -3.493 -0.313) 3.507 16.373 ( 0.000 -4.608 -5.034) 6.824 16.410 ( 0.000 0.824 4.160) 4.240 16.514 ( 0.000 -3.172 1.206) 3.393 19.775 ( 0.000 7.921 -0.131) 7.923 20.110 ( 0.000 12.886 -16.627) 21.036 20.366 ( 0.000 -0.822 1.085) 1.361 20.578 ( 0.000 -10.408 -2.981) 10.826 21.674 ( 0.000 7.936 -7.249) 10.748 21.806 ( 0.000 0.619 -3.319) 3.377 21.985 ( 0.000 28.656 -16.637) 33.136 22.403 ( 0.000 -0.122 -6.799) 6.800 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.11 0.20 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 17.086 7.456 11.491) 21.899 1.080 ( 20.705 12.379 15.024) 28.419 1.423 ( 3.203 0.052 0.315) 3.219 1.527 ( 0.718 -1.056 -4.674) 4.845 1.538 ( 2.661 0.749 -4.217) 5.042 1.654 ( -0.461 8.052 0.242) 8.069 1.828 ( 20.087 17.532 10.777) 28.758 2.062 ( 6.872 5.538 -0.966) 8.878 2.172 ( 8.659 -1.539 -6.904) 11.181 2.414 ( 8.536 5.571 -6.161) 11.911 2.521 ( 9.650 1.563 -0.860) 9.813 2.533 ( 0.216 -3.568 -0.419) 3.599 2.647 ( 12.305 2.763 -7.659) 14.755 2.768 ( 11.768 -2.849 -5.039) 13.115 2.944 ( -1.462 -0.072 4.402) 4.638 3.051 ( -0.036 -1.694 6.517) 6.734 3.102 ( -2.793 2.046 2.082) 4.040 3.215 ( 1.056 -7.697 -0.727) 7.803 3.302 ( 1.326 -1.190 5.011) 5.318 3.447 ( 0.135 1.052 -0.923) 1.406 3.499 ( -2.678 1.548 2.566) 4.019 3.626 ( -2.296 3.693 8.056) 9.155 3.784 ( 0.843 8.284 -1.708) 8.500 4.059 ( -5.181 -4.069 -2.829) 7.170 4.148 ( -7.026 2.657 2.511) 7.920 4.251 ( -0.098 0.511 8.719) 8.735 4.404 ( 3.016 -5.407 -5.446) 8.245 4.483 ( -1.220 -3.665 -5.510) 6.729 4.562 ( -0.098 2.664 -2.539) 3.681 4.640 ( -3.902 -6.606 3.980) 8.643 4.667 ( -2.734 -3.726 1.777) 4.952 4.880 ( -1.409 -1.168 -7.529) 7.748 4.993 ( -1.991 -2.823 5.260) 6.293 5.085 ( 0.087 -2.699 -8.368) 8.793 5.421 ( 1.913 -9.598 5.538) 11.245 5.523 ( -0.247 -4.818 6.898) 8.418 5.622 ( -0.990 6.388 -2.506) 6.933 5.820 ( -2.968 -6.021 1.427) 6.863 5.838 ( -2.768 -3.534 -0.934) 4.585 5.889 ( 3.672 -0.649 5.524) 6.665 6.043 ( -2.108 0.663 -0.067) 2.211 6.119 ( 1.623 -5.280 0.699) 5.568 6.254 ( -2.551 4.346 -3.522) 6.148 6.443 ( 0.508 0.808 2.776) 2.935 6.638 ( -6.826 -3.859 -1.752) 8.035 6.798 ( -3.650 -2.640 1.796) 4.849 6.899 ( 0.794 3.572 -4.269) 5.622 6.967 ( 6.422 3.745 -4.780) 8.839 7.071 ( -0.691 0.784 1.260) 1.637 7.101 ( 5.113 -1.160 2.746) 5.918 7.370 ( 9.034 0.116 0.145) 9.035 7.407 ( 3.049 1.015 -0.769) 3.304 7.548 ( -1.201 -3.287 2.571) 4.343 7.725 ( 7.368 -4.658 -5.498) 10.306 7.765 ( 0.004 -8.285 -2.972) 8.801 7.850 ( 8.211 -7.878 -0.992) 11.422 7.961 ( 8.708 4.716 1.720) 10.051 8.166 ( 7.759 7.366 3.638) 11.300 8.354 ( 4.575 0.790 0.281) 4.651 8.513 ( 8.934 2.057 -5.326) 10.602 8.558 ( -13.291 11.412 1.180) 17.557 8.691 ( 8.551 0.477 -4.235) 9.554 8.829 ( 12.292 -0.227 -3.733) 12.848 9.030 ( -1.573 -5.615 -1.596) 6.046 9.194 ( -5.935 1.794 -1.153) 6.307 9.366 ( 2.241 -4.850 3.394) 6.330 9.689 ( 2.654 -10.918 -5.098) 12.338 9.789 ( 5.714 -4.771 -0.794) 7.486 10.037 ( -2.256 8.872 2.461) 9.480 10.101 ( 19.858 4.388 -1.504) 20.393 10.415 ( 3.589 4.748 -1.955) 6.265 10.463 ( 8.034 0.407 -3.136) 8.633 11.147 ( -1.963 -5.880 -2.934) 6.858 11.224 ( -3.503 -1.179 -10.064) 10.722 11.564 ( -11.125 -5.473 2.472) 12.642 11.578 ( -11.829 -2.280 1.272) 12.113 11.665 ( -2.410 5.538 2.911) 6.705 12.024 ( 2.021 7.113 -8.950) 11.609 12.123 ( 1.838 -0.246 -5.477) 5.782 12.365 ( -0.251 1.129 0.293) 1.193 12.429 ( -1.083 0.197 -0.605) 1.256 12.583 ( 1.483 -1.867 3.597) 4.316 12.688 ( 9.203 4.244 -4.835) 11.229 12.975 ( 8.640 -4.790 -5.586) 11.349 13.057 ( -2.520 6.366 -0.297) 6.853 13.138 ( 10.900 3.674 -0.255) 11.505 13.201 ( 2.275 3.142 -1.048) 4.018 13.369 ( 4.877 -1.877 -11.886) 12.985 13.912 ( -1.077 -1.283 -2.420) 2.943 14.290 ( 14.752 -15.800 -3.366) 21.876 14.489 ( -9.929 -0.531 15.293) 18.241 14.561 ( -3.357 0.087 4.711) 5.786 14.676 ( -2.105 2.371 2.156) 3.834 14.721 ( 1.061 -0.084 0.541) 1.193 14.822 ( 6.845 -0.025 6.965) 9.766 15.104 ( 8.502 -29.688 19.145) 36.335 16.039 ( 0.752 -5.231 0.594) 5.318 16.338 ( -3.608 -2.939 -4.045) 6.166 16.382 ( -3.499 0.141 4.122) 5.408 16.500 ( -1.392 -4.294 0.936) 4.610 19.190 ( -44.135 40.813 1.349) 60.128 19.568 ( -22.096 15.257 1.863) 26.916 20.636 ( 1.830 -21.655 -1.941) 21.819 20.732 ( 2.337 -27.131 -3.207) 27.420 21.535 ( -2.097 15.613 -5.462) 16.673 22.065 ( 5.672 24.142 -16.870) 29.993 22.109 ( 18.655 -2.640 -2.840) 19.054 22.486 ( 7.537 0.266 -4.624) 8.846 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.22 0.20 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 18.963 0.680 5.887) 19.867 1.274 ( -4.816 1.064 -2.420) 5.494 1.387 ( 5.395 6.933 5.618) 10.428 1.544 ( -1.076 -3.483 -6.506) 7.458 1.643 ( 5.291 -0.285 -2.257) 5.759 1.707 ( 12.831 9.294 6.673) 17.192 2.191 ( 10.735 -6.368 -6.678) 14.156 2.399 ( 13.729 -2.287 -9.375) 16.781 2.483 ( 24.784 5.207 4.350) 25.696 2.549 ( 5.899 0.274 -0.082) 5.906 2.631 ( 9.079 4.954 -5.666) 11.793 2.738 ( 11.754 -0.964 1.462) 11.884 2.893 ( 10.830 2.829 -0.068) 11.194 2.914 ( 1.473 3.737 1.819) 4.409 2.955 ( 6.053 -7.755 -2.819) 10.234 3.062 ( 4.084 -0.916 5.155) 6.640 3.092 ( 3.479 3.026 1.757) 4.934 3.209 ( -0.344 1.422 2.300) 2.725 3.378 ( 5.109 0.237 2.895) 5.877 3.497 ( 5.549 -2.672 -0.160) 6.161 3.519 ( 6.722 1.747 -0.721) 6.983 3.588 ( 0.227 9.073 7.602) 11.839 3.801 ( 0.643 4.480 -2.215) 5.039 3.952 ( -4.706 2.084 -2.179) 5.589 4.018 ( -5.804 2.275 1.735) 6.471 4.251 ( -2.005 -5.694 6.550) 8.907 4.365 ( -7.594 -1.576 -1.012) 7.822 4.429 ( -1.388 -3.969 -0.435) 4.227 4.512 ( -6.073 -3.050 1.134) 6.890 4.572 ( -2.461 -0.781 0.278) 2.597 4.646 ( -1.844 1.619 0.349) 2.478 4.832 ( -3.607 -4.601 2.152) 6.230 4.998 ( 2.907 2.446 -7.105) 8.057 5.099 ( 1.424 0.011 -8.729) 8.845 5.442 ( -8.069 -7.642 1.538) 11.220 5.470 ( 2.826 -14.785 7.611) 16.867 5.639 ( 3.157 9.360 -2.358) 10.156 5.736 ( -3.687 2.068 -1.485) 4.480 5.857 ( 2.253 -3.050 2.215) 4.391 5.931 ( -1.261 4.094 -1.361) 4.495 6.038 ( 1.611 0.192 0.605) 1.731 6.119 ( -2.430 -1.952 2.117) 3.768 6.227 ( 1.254 -3.471 0.416) 3.714 6.417 ( -3.651 -4.614 3.987) 7.107 6.572 ( 0.382 -5.137 -1.368) 5.330 6.686 ( -7.002 4.831 0.955) 8.560 6.908 ( -0.285 6.430 -2.167) 6.791 6.986 ( -5.677 -4.968 -1.885) 7.776 7.053 ( 1.872 2.303 -3.905) 4.905 7.125 ( -0.645 0.074 2.419) 2.504 7.410 ( -0.434 -2.691 2.149) 3.471 7.489 ( 0.149 -4.307 0.007) 4.310 7.560 ( 2.565 -1.517 1.259) 3.235 7.734 ( -2.431 -1.777 -1.267) 3.267 7.810 ( 3.313 -5.400 -4.449) 7.741 7.939 ( 1.874 -3.818 2.351) 4.860 8.078 ( -0.028 12.183 2.027) 12.350 8.154 ( -11.973 5.857 5.092) 14.268 8.296 ( -10.926 3.074 0.676) 11.370 8.443 ( 2.961 -1.083 1.902) 3.682 8.686 ( -9.278 0.221 -2.482) 9.607 8.718 ( -6.518 9.381 1.911) 11.581 8.906 ( 36.571 13.805 0.326) 39.091 9.078 ( 2.612 -5.604 -7.159) 9.459 9.231 ( 8.941 -1.245 -0.926) 9.075 9.439 ( -0.642 -7.425 8.767) 11.507 9.697 ( -9.328 -8.573 -1.699) 12.783 9.964 ( -3.568 6.362 3.622) 8.145 10.094 ( 24.266 -12.151 -13.844) 30.466 10.390 ( 7.013 4.027 -5.473) 9.765 10.543 ( 10.727 -1.728 -2.176) 11.081 10.691 ( 11.952 0.887 2.333) 12.210 11.099 ( -0.826 -4.382 -2.576) 5.150 11.132 ( -4.161 1.150 -3.860) 5.791 11.257 ( -12.255 -1.751 -1.758) 12.503 11.412 ( -5.615 -8.226 0.511) 9.973 11.689 ( 2.248 6.180 4.484) 7.959 12.091 ( 1.755 14.296 -3.446) 14.809 12.199 ( 5.845 -4.546 -2.380) 7.778 12.349 ( -1.169 1.216 0.828) 1.878 12.412 ( -1.512 -1.426 -0.999) 2.306 12.615 ( 0.636 -2.612 3.552) 4.455 12.859 ( 7.521 3.615 -19.649) 21.348 12.955 ( -6.844 7.040 -1.678) 9.961 13.115 ( 4.741 -2.260 -10.919) 12.116 13.219 ( -0.537 3.056 -3.844) 4.940 13.320 ( 4.324 0.525 -8.645) 9.680 13.372 ( -3.211 -2.593 -6.864) 8.009 13.913 ( 1.946 1.041 2.647) 3.446 14.289 ( -8.591 2.004 18.919) 20.875 14.410 ( 0.341 -8.914 9.363) 12.932 14.547 ( -4.241 -3.236 10.737) 11.989 14.591 ( 3.848 2.635 0.738) 4.722 14.888 ( 10.428 2.398 3.680) 11.315 14.973 ( 9.123 -0.114 6.913) 11.447 15.334 ( 13.428 -27.786 -9.009) 32.148 16.047 ( -0.178 -8.602 0.656) 8.629 16.227 ( -8.205 -2.799 -2.120) 8.925 16.271 ( -7.722 0.943 4.432) 8.953 16.462 ( -2.642 -6.230 0.775) 6.812 18.583 ( -20.765 40.170 2.289) 45.278 19.138 ( -21.890 17.135 -0.321) 27.801 20.558 ( -8.402 -30.385 -0.454) 31.528 20.601 ( -11.415 -31.193 -0.776) 33.225 21.618 ( 8.147 21.421 -5.084) 23.475 22.130 ( 1.208 21.150 -8.516) 22.832 22.420 ( 13.639 -5.886 -2.643) 15.088 22.647 ( 8.652 0.440 -0.643) 8.687 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.33 0.20 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -2.390 1.261 -2.475) 3.665 1.347 ( 2.132 1.886 1.023) 3.024 1.450 ( 0.806 -0.531 -1.566) 1.840 1.567 ( 3.172 -1.995 -4.009) 5.488 1.835 ( 16.410 -6.719 1.098) 17.766 2.070 ( 22.230 8.511 7.322) 24.904 2.341 ( 5.091 -7.493 -3.821) 9.832 2.521 ( 0.414 0.511 1.508) 1.645 2.638 ( 1.442 -1.008 -2.254) 2.860 2.684 ( 0.259 -2.486 -1.924) 3.154 2.783 ( -1.476 -4.712 -7.106) 8.653 2.826 ( 4.693 -6.588 -7.382) 10.951 2.905 ( 1.403 -5.066 -4.330) 6.810 3.034 ( 12.682 -0.118 2.575) 12.942 3.079 ( 4.526 -2.174 0.025) 5.022 3.178 ( -0.592 4.270 3.852) 5.781 3.254 ( 5.498 6.912 2.920) 9.302 3.386 ( 12.610 -1.833 3.070) 13.107 3.524 ( 15.128 5.526 7.709) 17.856 3.555 ( 2.088 10.847 -1.651) 11.169 3.654 ( 5.974 0.625 0.047) 6.006 3.811 ( 6.950 2.535 -1.127) 7.483 3.841 ( 15.749 7.768 5.931) 18.535 3.910 ( 0.352 -0.487 -2.109) 2.193 3.977 ( 2.185 1.981 -0.563) 3.003 4.131 ( -5.473 -1.917 -0.264) 5.805 4.272 ( -7.394 -2.246 4.998) 9.203 4.327 ( -4.439 -0.182 4.397) 6.251 4.434 ( -3.400 -3.468 2.491) 5.458 4.471 ( -7.881 -3.538 0.325) 8.644 4.591 ( -2.877 0.037 0.433) 2.910 4.750 ( -4.654 -3.023 5.499) 7.813 5.047 ( -1.517 5.555 -6.461) 8.655 5.120 ( -0.151 0.092 -9.018) 9.019 5.264 ( -6.183 -1.660 -0.529) 6.424 5.529 ( 1.631 -11.278 6.947) 13.346 5.671 ( -0.519 5.228 -11.795) 12.912 5.728 ( 3.105 3.372 2.490) 5.217 5.864 ( -3.494 8.059 -5.469) 10.347 5.919 ( 3.218 2.005 0.517) 3.827 6.050 ( 0.265 2.579 1.623) 3.059 6.062 ( -2.632 -0.235 1.227) 2.913 6.290 ( -4.194 -7.021 2.868) 8.666 6.345 ( 5.119 -6.384 2.212) 8.476 6.551 ( -5.289 5.236 0.294) 7.448 6.605 ( -0.064 -6.109 1.792) 6.366 6.887 ( -1.771 3.732 1.842) 4.523 6.897 ( -2.827 -6.180 -4.811) 8.327 7.019 ( -4.836 0.821 -1.338) 5.085 7.141 ( 1.913 2.370 2.722) 4.085 7.379 ( -3.199 -5.146 2.655) 6.615 7.425 ( -4.319 -8.309 3.426) 9.972 7.609 ( 1.271 0.966 -2.063) 2.609 7.711 ( 0.413 1.681 -0.741) 1.883 7.833 ( -8.361 6.512 -0.602) 10.615 7.858 ( -2.964 -1.801 0.504) 3.505 7.939 ( -2.360 3.516 3.507) 5.498 8.073 ( -4.308 1.152 1.943) 4.864 8.191 ( -1.301 1.217 4.532) 4.869 8.422 ( -9.077 -2.999 -0.957) 9.608 8.543 ( 4.173 -1.374 1.286) 4.578 8.677 ( 0.128 9.802 -3.265) 10.332 9.018 ( -7.841 -9.577 -3.286) 12.806 9.250 ( -6.213 -4.353 -5.583) 9.419 9.492 ( 8.082 -2.149 0.989) 8.421 9.525 ( 6.517 -1.471 1.009) 6.756 9.763 ( 29.431 9.676 6.560) 31.667 9.886 ( -2.720 6.218 2.387) 7.195 10.291 ( -5.757 -3.443 -4.441) 8.045 10.511 ( 7.202 -3.038 -9.918) 12.628 10.695 ( 4.923 -4.094 -0.900) 6.466 10.822 ( 4.110 -2.660 1.874) 5.242 11.142 ( 3.136 -0.975 -1.448) 3.589 11.168 ( 4.584 -4.031 0.324) 6.113 11.216 ( 9.896 4.654 -0.667) 10.956 11.358 ( -1.336 -3.627 2.097) 4.398 11.724 ( 1.475 8.672 4.758) 10.001 12.040 ( -6.813 14.594 1.758) 16.202 12.314 ( 1.963 -2.770 -1.091) 3.566 12.330 ( 2.400 -0.574 -1.145) 2.720 12.400 ( 1.715 -2.379 -2.724) 4.002 12.589 ( -2.470 -2.941 3.867) 5.450 12.785 ( -9.780 4.838 0.317) 10.916 12.978 ( 4.344 2.874 -27.379) 27.870 13.148 ( -7.239 -2.572 -5.991) 9.743 13.161 ( -0.598 -0.528 -14.671) 14.693 13.235 ( -7.561 -0.932 -12.100) 14.299 13.323 ( -4.280 -0.759 -16.554) 17.115 13.980 ( 4.278 2.941 8.977) 10.370 14.185 ( -2.390 3.110 22.706) 23.042 14.426 ( 1.754 -6.251 13.332) 14.828 14.478 ( -1.116 -4.144 19.374) 19.844 14.807 ( 15.742 3.756 1.354) 16.240 15.062 ( 8.555 2.610 5.377) 10.436 15.170 ( 11.682 -0.305 6.248) 13.252 15.515 ( 4.161 -10.466 -14.937) 18.707 15.979 ( -9.938 -0.425 -3.670) 10.602 16.075 ( -7.284 -5.407 8.690) 12.562 16.123 ( -4.017 -7.596 -3.042) 9.116 16.400 ( -3.699 -7.395 1.577) 8.417 18.335 ( -6.760 29.173 -2.727) 30.070 18.770 ( -16.241 20.002 -0.524) 25.770 20.383 ( -8.833 -36.203 -0.599) 37.269 20.398 ( -8.640 -29.273 0.081) 30.522 21.765 ( 6.371 20.422 -6.285) 22.297 22.133 ( -0.308 23.433 -0.799) 23.448 22.619 ( 7.336 -7.932 -4.233) 11.604 22.795 ( 6.549 0.029 2.200) 6.909 ======================= Grid point 58 (25/60) ======================= q-point: ( 0.44 0.20 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.251 0.296 -2.299) 2.332 1.342 ( -0.975 6.195 3.281) 7.077 1.454 ( 0.068 -6.802 -7.667) 10.250 1.609 ( 1.097 0.027 -1.582) 1.925 2.165 ( 15.279 -8.750 1.990) 17.719 2.371 ( -2.215 -6.688 0.288) 7.051 2.405 ( 4.165 -0.815 2.373) 4.863 2.542 ( 7.885 0.204 1.865) 8.105 2.627 ( -1.188 1.194 -0.901) 1.910 2.656 ( 0.257 -1.164 -2.278) 2.571 2.706 ( -2.633 -2.297 -3.167) 4.716 2.873 ( 0.802 -11.063 -6.345) 12.778 2.940 ( -3.750 -4.566 1.027) 5.998 3.047 ( -5.872 3.233 2.796) 7.263 3.223 ( 8.573 -1.551 -7.914) 11.770 3.254 ( 7.020 2.012 0.225) 7.306 3.358 ( 3.472 4.946 -0.760) 6.090 3.458 ( -5.604 1.612 -1.400) 5.997 3.619 ( 9.104 -1.234 2.154) 9.437 3.732 ( 6.863 8.105 1.256) 10.695 3.796 ( 5.049 3.518 5.466) 8.231 3.884 ( -4.140 8.570 4.739) 10.632 3.922 ( 0.937 -1.198 0.375) 1.566 3.939 ( 2.241 -2.159 -0.789) 3.211 4.067 ( -5.067 2.540 2.834) 6.337 4.137 ( 5.343 -3.093 -1.190) 6.288 4.235 ( 5.437 -0.972 4.425) 7.077 4.304 ( -2.816 -2.421 0.143) 3.716 4.329 ( -0.877 0.351 1.276) 1.587 4.355 ( -4.876 -0.590 4.312) 6.536 4.570 ( 0.737 -5.943 4.379) 7.419 4.691 ( -2.077 -4.208 5.483) 7.217 4.939 ( -1.071 6.554 0.167) 6.643 5.057 ( -7.186 6.455 -1.462) 9.769 5.269 ( 2.819 7.539 -9.867) 12.734 5.531 ( -0.417 -7.454 3.484) 8.238 5.659 ( -1.947 13.749 -16.040) 21.216 5.763 ( 1.003 0.568 -6.042) 6.151 5.856 ( 2.934 -3.402 -1.931) 4.890 5.923 ( -2.488 0.150 -0.852) 2.635 6.033 ( -0.384 2.983 3.891) 4.918 6.118 ( 1.470 5.839 -2.562) 6.544 6.178 ( 1.367 1.917 5.126) 5.641 6.361 ( -8.558 6.155 5.422) 11.854 6.575 ( 7.298 -10.955 3.179) 13.542 6.604 ( 2.512 -6.724 -1.497) 7.333 6.794 ( -7.438 -3.532 -1.735) 8.415 6.899 ( -0.072 -0.578 0.354) 0.682 6.935 ( -1.718 -5.075 0.588) 5.390 7.165 ( 0.513 4.545 5.662) 7.279 7.312 ( -2.403 -5.836 1.716) 6.541 7.369 ( -1.633 -1.960 4.816) 5.450 7.604 ( -0.567 0.717 -2.877) 3.019 7.674 ( -3.690 6.484 2.126) 7.757 7.773 ( 3.164 -3.031 -1.873) 4.765 7.837 ( -2.377 -2.924 -1.478) 4.048 7.889 ( -1.321 6.020 7.722) 9.880 8.027 ( -1.098 -6.843 2.312) 7.306 8.151 ( -2.078 3.648 -1.385) 4.421 8.308 ( -2.520 0.812 1.420) 3.004 8.677 ( 6.338 -2.795 -2.409) 7.334 8.721 ( 6.282 0.016 -3.170) 7.037 8.872 ( -5.777 -4.905 -1.355) 7.699 8.984 ( -15.174 -4.380 -1.970) 15.916 9.630 ( 7.759 1.652 -0.303) 7.938 9.744 ( 1.260 2.352 -2.079) 3.383 9.827 ( 8.064 -1.445 1.090) 8.264 10.077 ( -11.746 -2.855 -2.932) 12.438 10.285 ( 16.925 6.806 1.067) 18.274 10.517 ( -4.491 5.309 -0.353) 6.962 10.792 ( 3.350 -8.425 -2.822) 9.495 10.885 ( 2.004 -3.664 0.211) 4.181 11.200 ( 2.155 -3.441 1.043) 4.192 11.283 ( 3.484 0.254 2.419) 4.250 11.340 ( 1.753 -1.394 1.535) 2.715 11.377 ( 3.766 2.557 2.967) 5.433 11.752 ( 1.806 11.743 4.019) 12.543 11.879 ( -7.912 14.653 4.665) 17.294 12.329 ( 2.074 -1.262 -1.071) 2.653 12.414 ( 6.173 0.497 -0.572) 6.220 12.423 ( -2.014 0.753 -1.007) 2.374 12.568 ( -7.425 1.138 -1.520) 7.664 12.650 ( 5.834 -5.822 -1.353) 8.352 12.898 ( -14.211 -6.115 -4.458) 16.100 13.066 ( 4.913 0.120 -24.889) 25.369 13.135 ( -2.319 0.870 -16.359) 16.545 13.170 ( -1.432 0.304 -21.679) 21.728 13.214 ( -5.141 0.052 -19.732) 20.391 14.047 ( 2.150 2.052 15.758) 16.036 14.170 ( -0.017 5.026 20.971) 21.564 14.463 ( 1.631 -5.372 16.745) 17.661 14.478 ( 0.075 -5.008 21.347) 21.926 15.083 ( 10.063 2.309 -1.119) 10.385 15.221 ( 7.431 4.662 3.721) 9.529 15.382 ( 6.804 -1.683 2.211) 7.350 15.507 ( -1.465 -0.722 -6.109) 6.323 15.778 ( -7.867 0.817 -1.822) 8.116 15.895 ( -8.605 3.398 5.648) 10.839 16.131 ( 1.365 -15.013 -5.236) 15.958 16.339 ( -2.062 -8.698 3.239) 9.508 18.281 ( -0.169 20.024 -7.581) 21.412 18.541 ( -7.078 23.645 1.610) 24.734 20.263 ( -3.286 -37.046 -0.720) 37.199 20.283 ( -3.203 -30.417 0.221) 30.586 21.846 ( 2.053 19.047 -7.850) 20.703 22.130 ( -0.060 26.038 4.067) 26.354 22.707 ( 2.210 -8.918 -5.146) 10.530 22.882 ( 2.375 -0.481 2.965) 3.829 ======================= Grid point 63 (26/60) ======================= q-point: ( 0.00 0.40 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.000 26.369 -2.723) 26.509 1.051 ( 0.000 13.376 11.716) 17.782 1.255 ( 0.000 -3.418 5.190) 6.214 1.440 ( 0.000 -9.275 -2.334) 9.564 1.582 ( 0.000 5.414 -8.370) 9.968 1.796 ( 0.000 7.878 -9.676) 12.477 1.849 ( 0.000 -15.926 -15.623) 22.309 1.932 ( 0.000 -9.578 -11.822) 15.215 2.288 ( 0.000 6.963 6.875) 9.786 2.289 ( 0.000 0.013 0.016) 0.020 2.488 ( 0.000 0.721 -5.682) 5.728 2.497 ( 0.000 1.597 -4.719) 4.982 2.709 ( 0.000 17.894 0.640) 17.905 2.811 ( 0.000 27.144 -1.093) 27.166 2.982 ( 0.000 -4.726 8.443) 9.676 3.019 ( 0.000 -2.297 5.857) 6.291 3.038 ( 0.000 -1.613 -2.293) 2.803 3.231 ( 0.000 0.610 4.906) 4.943 3.328 ( 0.000 1.912 4.778) 5.146 3.428 ( 0.000 -9.605 0.860) 9.644 3.515 ( 0.000 7.125 0.701) 7.160 3.669 ( 0.000 4.472 2.747) 5.248 3.796 ( 0.000 -19.109 2.135) 19.228 3.926 ( 0.000 -27.138 -3.118) 27.316 4.035 ( 0.000 12.986 -1.697) 13.096 4.258 ( 0.000 -12.078 -5.847) 13.419 4.391 ( 0.000 7.490 2.538) 7.908 4.486 ( 0.000 -3.447 2.259) 4.121 4.576 ( 0.000 14.197 16.694) 21.915 4.634 ( 0.000 1.575 0.448) 1.637 4.714 ( 0.000 4.107 4.930) 6.417 4.902 ( 0.000 -3.278 -4.146) 5.285 4.956 ( 0.000 -5.998 11.222) 12.725 4.965 ( 0.000 -6.195 -5.787) 8.478 5.291 ( 0.000 -0.676 4.368) 4.420 5.389 ( 0.000 -8.315 0.600) 8.336 5.650 ( 0.000 -5.512 4.325) 7.006 5.678 ( 0.000 -9.288 4.611) 10.370 5.781 ( 0.000 7.986 -4.133) 8.993 5.897 ( 0.000 -2.856 -4.571) 5.390 6.148 ( 0.000 1.334 -0.065) 1.336 6.213 ( 0.000 9.297 -1.448) 9.409 6.281 ( 0.000 0.917 1.444) 1.711 6.480 ( 0.000 12.863 -8.714) 15.537 6.545 ( 0.000 -13.552 -4.217) 14.193 6.716 ( 0.000 -9.900 -9.638) 13.817 6.916 ( 0.000 -0.220 0.651) 0.687 6.942 ( 0.000 -2.443 1.135) 2.694 7.075 ( 0.000 6.935 2.051) 7.232 7.093 ( 0.000 9.872 -0.126) 9.873 7.139 ( 0.000 0.115 -0.105) 0.156 7.301 ( 0.000 -12.922 -2.433) 13.149 7.383 ( 0.000 4.092 -0.365) 4.109 7.471 ( 0.000 -5.673 -1.744) 5.935 7.704 ( 0.000 0.810 3.009) 3.116 7.729 ( 0.000 -1.715 -0.901) 1.937 7.986 ( 0.000 2.848 0.063) 2.848 8.025 ( 0.000 -1.372 0.260) 1.397 8.250 ( 0.000 2.926 4.167) 5.092 8.294 ( 0.000 -2.378 2.646) 3.558 8.788 ( 0.000 7.428 3.862) 8.373 8.910 ( 0.000 -4.611 4.414) 6.383 9.016 ( 0.000 12.762 -0.006) 12.762 9.020 ( 0.000 16.301 -0.050) 16.301 9.276 ( 0.000 -6.546 3.302) 7.332 9.410 ( 0.000 -16.084 -0.152) 16.085 9.613 ( 0.000 0.639 2.802) 2.874 9.617 ( 0.000 0.566 1.256) 1.377 9.944 ( 0.000 10.435 -2.923) 10.836 10.148 ( 0.000 -8.624 -6.207) 10.625 10.326 ( 0.000 9.155 0.089) 9.156 10.487 ( 0.000 -3.380 -2.250) 4.061 11.144 ( 0.000 -1.081 -1.263) 1.662 11.162 ( 0.000 -3.972 -6.855) 7.923 11.666 ( 0.000 4.340 1.524) 4.600 11.722 ( 0.000 -1.264 -0.276) 1.294 11.796 ( 0.000 6.093 -2.076) 6.437 11.931 ( 0.000 -7.802 -3.607) 8.596 12.260 ( 0.000 0.617 -5.723) 5.756 12.261 ( 0.000 0.602 -7.440) 7.464 12.576 ( 0.000 4.949 -3.924) 6.316 12.597 ( 0.000 0.347 7.639) 7.647 12.625 ( 0.000 2.540 1.493) 2.946 12.739 ( 0.000 -7.268 -8.855) 11.456 13.010 ( 0.000 1.019 1.664) 1.951 13.049 ( 0.000 -2.792 2.936) 4.052 13.254 ( 0.000 5.972 -0.894) 6.038 13.311 ( 0.000 -0.193 -2.485) 2.492 13.891 ( 0.000 -1.496 -1.593) 2.186 13.904 ( 0.000 -4.261 2.854) 5.129 14.619 ( 0.000 1.213 13.283) 13.338 14.636 ( 0.000 -0.673 14.541) 14.557 14.712 ( 0.000 1.566 4.080) 4.370 14.729 ( 0.000 -0.235 1.669) 1.686 14.747 ( 0.000 0.270 1.816) 1.836 14.786 ( 0.000 -5.093 12.731) 13.712 16.085 ( 0.000 6.875 -5.661) 8.905 16.240 ( 0.000 -8.852 -6.818) 11.174 16.432 ( 0.000 1.513 4.221) 4.484 16.465 ( 0.000 -2.106 3.780) 4.327 19.974 ( 0.000 12.721 -2.721) 13.008 20.175 ( 0.000 -5.063 -9.735) 10.973 20.349 ( 0.000 -0.667 0.570) 0.877 20.383 ( 0.000 -6.984 1.587) 7.162 21.770 ( 0.000 3.507 -4.649) 5.823 21.808 ( 0.000 -0.719 -4.276) 4.336 22.310 ( 0.000 8.456 -12.232) 14.870 22.390 ( 0.000 -1.717 -7.129) 7.333 ======================= Grid point 64 (27/60) ======================= q-point: ( 0.11 0.40 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 8.549 24.185 -3.711) 25.918 1.298 ( 15.454 9.028 5.051) 18.597 1.426 ( 2.977 -2.576 -4.497) 5.977 1.472 ( 10.421 -4.185 2.060) 11.417 1.557 ( -1.612 4.136 -7.814) 8.987 1.778 ( -3.949 -7.795 -11.237) 14.235 1.832 ( 6.791 2.130 -6.265) 9.481 2.006 ( 9.940 -12.442 -11.806) 19.824 2.259 ( 3.386 7.605 6.540) 10.587 2.394 ( 7.107 -4.301 5.159) 9.779 2.574 ( 8.588 3.475 -3.563) 9.926 2.643 ( 9.651 -3.900 -6.471) 12.256 2.727 ( 2.598 14.751 0.212) 14.980 2.897 ( 2.843 11.642 1.152) 12.039 2.972 ( -1.398 -4.740 6.008) 7.779 3.013 ( -0.377 -7.307 -5.143) 8.943 3.032 ( 4.316 12.031 4.898) 13.689 3.222 ( -0.344 1.148 4.620) 4.773 3.302 ( 1.832 3.511 -0.781) 4.036 3.446 ( 1.769 -6.585 -0.241) 6.822 3.546 ( 0.791 10.741 -2.094) 10.971 3.683 ( 3.235 3.139 6.047) 7.542 3.849 ( 0.708 -9.245 -0.298) 9.276 3.978 ( 6.936 -22.069 -1.568) 23.186 4.023 ( 0.004 9.074 -0.070) 9.075 4.235 ( -1.581 -9.050 -1.671) 9.338 4.346 ( -3.479 1.072 1.828) 4.074 4.451 ( -4.149 -5.074 2.293) 6.944 4.543 ( -3.370 13.589 16.276) 21.469 4.618 ( -2.182 0.597 1.040) 2.489 4.636 ( -5.991 3.446 2.362) 7.304 4.880 ( -4.686 -11.420 11.647) 16.971 4.961 ( 4.343 2.924 -6.752) 8.544 5.024 ( 4.055 -3.587 -4.031) 6.750 5.237 ( -4.499 -1.904 4.665) 6.755 5.354 ( -3.861 -10.412 0.031) 11.105 5.690 ( 4.657 -3.255 3.021) 6.435 5.737 ( 5.882 -8.043 3.103) 10.436 5.798 ( 1.121 5.875 -3.215) 6.791 5.848 ( -1.757 0.495 -0.029) 1.825 6.110 ( -2.059 5.966 1.096) 6.405 6.202 ( -2.335 9.078 -2.221) 9.633 6.323 ( -0.466 -7.082 2.613) 7.563 6.450 ( -5.433 6.869 -5.111) 10.140 6.493 ( -1.744 -3.116 -6.265) 7.212 6.745 ( 1.456 -10.681 -10.131) 14.793 6.893 ( -0.650 2.971 2.300) 3.813 6.972 ( -1.421 -4.545 1.560) 5.011 7.137 ( 2.847 9.004 -0.875) 9.484 7.204 ( 2.361 5.430 0.959) 5.998 7.312 ( 4.046 -4.177 0.935) 5.890 7.358 ( 1.903 -10.574 0.110) 10.745 7.512 ( 11.217 6.905 -1.244) 13.230 7.628 ( 7.131 -4.645 -3.075) 9.049 7.722 ( 6.620 0.097 0.049) 6.621 7.758 ( 7.039 -3.565 -0.060) 7.890 8.076 ( 14.079 7.332 -1.197) 15.919 8.193 ( 11.415 -2.996 -1.175) 11.860 8.331 ( 7.642 -1.989 2.742) 8.359 8.365 ( 14.991 -7.786 -0.502) 16.900 8.729 ( -9.954 7.978 3.572) 13.247 8.862 ( -5.418 -2.621 1.698) 6.254 8.952 ( -1.751 11.480 0.755) 11.638 9.003 ( -1.176 10.070 0.257) 10.142 9.187 ( -1.469 -0.376 3.787) 4.079 9.390 ( 0.457 -10.306 -2.895) 10.715 9.467 ( -6.777 2.122 4.069) 8.184 9.644 ( -2.050 -10.210 1.735) 10.558 10.180 ( 15.004 5.362 -4.275) 16.497 10.236 ( 6.106 5.536 -4.946) 9.612 10.353 ( 6.068 1.580 0.075) 6.270 10.501 ( 1.676 -5.237 -1.002) 5.589 11.082 ( -3.403 0.639 -1.374) 3.725 11.155 ( -1.235 -5.491 -2.198) 6.042 11.516 ( -14.795 0.843 0.714) 14.836 11.549 ( -16.087 -1.845 -1.718) 16.283 11.798 ( 1.765 8.057 0.568) 8.267 11.946 ( 3.531 -7.638 -1.413) 8.532 12.258 ( 4.192 7.052 -10.466) 13.299 12.348 ( 3.615 -3.006 -5.148) 6.972 12.468 ( -4.534 3.711 0.834) 5.918 12.537 ( -1.620 -3.208 1.352) 3.839 12.778 ( 10.195 5.442 -6.562) 13.289 12.881 ( 9.943 -5.421 -7.823) 13.764 13.164 ( 9.175 4.972 -1.464) 10.538 13.215 ( 3.680 2.586 0.526) 4.528 13.244 ( 5.175 1.557 -1.554) 5.623 13.307 ( 0.508 -4.336 -5.770) 7.235 13.898 ( 1.502 0.648 1.807) 2.438 13.990 ( 9.593 -11.111 6.627) 16.106 14.515 ( -8.302 2.415 14.491) 16.874 14.556 ( -4.475 -1.289 9.899) 10.940 14.683 ( -5.547 0.096 1.139) 5.664 14.710 ( -0.693 -2.286 0.555) 2.452 14.819 ( 6.357 0.027 8.525) 10.634 14.839 ( 6.043 -2.963 11.916) 13.685 16.079 ( -0.850 6.436 -5.143) 8.282 16.226 ( -1.702 -8.275 -6.524) 10.674 16.400 ( -3.503 1.452 4.184) 5.646 16.434 ( -3.247 -2.439 3.911) 5.638 19.721 ( -22.536 22.688 -7.785) 32.912 19.946 ( -20.298 19.735 1.980) 28.380 20.179 ( -11.001 -22.814 -3.477) 25.566 20.339 ( -10.341 -19.013 1.186) 21.675 21.802 ( 6.940 12.544 -5.562) 15.377 21.993 ( 13.034 -8.078 -4.226) 15.906 22.374 ( 5.451 9.229 -8.671) 13.786 22.471 ( 7.178 -2.339 -4.356) 8.716 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.22 0.40 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 3.272 7.818 -5.056) 9.868 1.360 ( -3.069 6.527 -9.919) 12.264 1.461 ( 5.102 5.955 -5.571) 9.619 1.529 ( -0.993 3.894 0.193) 4.023 1.617 ( 4.068 -1.471 -0.554) 4.361 1.854 ( 10.158 -13.948 -6.875) 18.574 2.043 ( 12.740 9.141 4.866) 16.417 2.297 ( 16.410 -9.886 -5.695) 19.987 2.459 ( 13.485 0.656 -2.562) 13.742 2.533 ( 7.120 -6.313 2.253) 9.779 2.716 ( 4.429 2.989 -2.061) 5.727 2.777 ( 1.066 3.246 -1.799) 3.861 2.793 ( 4.863 -3.551 -5.245) 7.986 2.868 ( -2.609 -3.024 -1.185) 4.166 2.982 ( 4.257 0.429 3.507) 5.532 3.022 ( 5.154 -4.254 3.770) 7.673 3.214 ( 10.092 6.644 0.644) 12.100 3.256 ( 5.389 1.453 3.741) 6.720 3.453 ( 8.642 6.283 -2.353) 10.940 3.494 ( 5.416 1.191 -3.258) 6.432 3.579 ( 5.262 5.652 -5.448) 9.450 3.727 ( -0.507 -3.551 -1.169) 3.773 3.907 ( 7.561 11.961 3.127) 14.492 3.990 ( -1.260 8.504 1.028) 8.658 4.105 ( 3.035 2.592 -0.271) 4.000 4.229 ( -2.289 -1.389 3.461) 4.375 4.288 ( -4.068 -7.705 2.151) 8.975 4.400 ( 3.645 -13.950 6.646) 15.877 4.444 ( -6.910 10.765 14.670) 19.464 4.528 ( -4.076 -0.412 2.041) 4.577 4.550 ( -4.907 -1.055 0.773) 5.078 4.784 ( -4.687 -13.539 12.533) 19.036 5.035 ( 0.911 5.692 -6.329) 8.561 5.096 ( 3.447 2.433 -4.806) 6.395 5.200 ( 3.352 -9.293 2.513) 10.193 5.234 ( -8.382 -11.892 -0.455) 14.557 5.796 ( 1.846 1.007 -1.400) 2.526 5.817 ( 0.570 4.279 0.475) 4.342 5.833 ( 5.454 3.864 -0.298) 6.690 5.897 ( 8.034 -4.786 2.581) 9.701 6.088 ( 0.323 4.526 0.525) 4.568 6.135 ( -4.208 6.225 1.369) 7.638 6.250 ( -5.789 -5.790 0.210) 8.190 6.299 ( -7.549 -4.601 1.299) 8.936 6.527 ( 3.215 8.073 -8.945) 12.471 6.747 ( -1.500 -4.476 -7.955) 9.250 6.880 ( -3.658 -4.987 -3.050) 6.896 6.892 ( -4.083 -3.626 0.999) 5.551 7.138 ( -3.190 6.663 -0.417) 7.399 7.199 ( -0.359 5.539 2.245) 5.987 7.319 ( -4.087 -7.397 2.679) 8.866 7.342 ( -0.066 -5.376 3.328) 6.324 7.614 ( 2.208 3.246 -3.435) 5.216 7.666 ( 1.465 -3.221 -4.476) 5.706 7.803 ( 1.943 2.852 3.184) 4.695 7.872 ( 2.645 -3.899 3.894) 6.113 8.244 ( 0.110 5.707 4.511) 7.275 8.301 ( -2.136 4.350 2.033) 5.256 8.397 ( -7.774 4.993 -0.919) 9.285 8.447 ( -5.766 6.292 0.004) 8.535 8.591 ( -9.799 -3.656 0.659) 10.479 8.788 ( 0.737 -16.027 -2.420) 16.225 9.006 ( -0.320 10.222 0.544) 10.242 9.125 ( 11.394 1.856 -3.376) 12.027 9.269 ( 10.378 8.314 -0.940) 13.331 9.438 ( 7.027 3.054 4.013) 8.649 9.508 ( 4.683 -4.780 2.701) 7.216 9.771 ( 27.025 -18.593 -2.747) 32.918 10.171 ( -5.332 12.208 -2.737) 13.599 10.370 ( -3.127 -6.992 -6.062) 9.768 10.558 ( 13.038 2.884 -0.958) 13.388 10.636 ( 10.539 -5.224 2.731) 12.075 11.064 ( 0.811 1.750 1.219) 2.282 11.128 ( -2.305 -3.380 -1.274) 4.285 11.249 ( -8.402 2.049 -1.890) 8.852 11.303 ( -5.171 -3.527 0.802) 6.311 11.860 ( 4.135 10.548 0.589) 11.345 12.048 ( 6.484 -9.202 -1.510) 11.357 12.318 ( 0.333 5.728 -4.661) 7.392 12.375 ( -1.131 -1.904 -1.300) 2.568 12.415 ( -1.388 6.910 -0.687) 7.081 12.545 ( 0.949 -5.334 -1.223) 5.554 12.949 ( 6.317 5.890 -17.088) 19.147 13.054 ( 6.781 -4.679 -15.901) 17.909 13.098 ( -6.992 7.545 -2.400) 10.562 13.219 ( -6.208 -4.493 -1.874) 7.889 13.333 ( -1.039 0.858 -8.244) 8.354 13.341 ( 1.521 0.042 -6.682) 6.853 13.975 ( 6.231 6.659 8.861) 12.716 14.176 ( 6.475 -13.819 14.588) 21.111 14.357 ( -7.143 4.413 13.402) 15.815 14.456 ( -6.475 -5.813 13.483) 16.047 14.670 ( 7.805 6.305 0.300) 10.038 14.854 ( 17.116 -13.657 -2.483) 22.038 14.951 ( 7.384 0.054 7.985) 10.876 14.972 ( 8.087 -1.551 7.325) 11.021 16.043 ( -3.110 4.974 -4.890) 7.637 16.158 ( -5.914 -5.801 -5.812) 10.120 16.296 ( -7.238 1.746 4.451) 8.675 16.347 ( -5.484 -4.502 4.079) 8.184 19.276 ( -21.496 34.490 -7.636) 41.352 19.560 ( -19.117 26.131 3.730) 32.591 19.919 ( -15.004 -34.304 -4.963) 37.769 20.077 ( -14.918 -27.578 2.706) 31.471 21.976 ( 9.663 16.699 -6.822) 20.464 22.229 ( 10.915 -10.235 -6.719) 16.403 22.474 ( 4.657 11.108 -1.027) 12.088 22.616 ( 7.337 -4.263 0.741) 8.518 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.33 0.40 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -2.687 4.743 -7.026) 8.892 1.339 ( -1.581 -4.100 -8.219) 9.320 1.486 ( -1.021 5.160 1.636) 5.509 1.557 ( 1.606 -0.358 0.185) 1.656 1.798 ( 14.199 5.016 -0.404) 15.064 2.047 ( 9.045 -17.108 -4.963) 19.979 2.319 ( 15.636 11.121 5.522) 19.967 2.471 ( -0.190 -4.871 3.661) 6.097 2.608 ( 2.865 -0.375 -9.382) 9.817 2.648 ( 2.885 -2.002 -5.126) 6.214 2.742 ( -0.165 -2.224 -3.049) 3.778 2.757 ( 1.750 -0.225 -5.786) 6.049 2.791 ( -3.306 -2.082 -6.013) 7.170 2.904 ( 5.704 -9.768 -6.996) 13.300 3.143 ( 11.737 4.862 5.571) 13.872 3.210 ( 8.039 -1.585 4.068) 9.148 3.365 ( 6.241 3.354 4.717) 8.512 3.375 ( 4.169 1.455 3.155) 5.427 3.560 ( 8.731 2.392 -2.994) 9.535 3.637 ( 3.673 -4.249 -4.186) 7.005 3.727 ( 8.675 3.932 -2.360) 9.812 3.793 ( 9.629 -3.528 -2.479) 10.551 3.939 ( -3.491 6.806 -3.319) 8.338 3.991 ( -0.078 7.336 -0.496) 7.354 4.111 ( -3.911 2.306 3.711) 5.864 4.194 ( -3.329 0.086 7.808) 8.488 4.281 ( -0.894 -0.231 5.538) 5.615 4.349 ( -3.491 4.138 7.686) 9.401 4.398 ( 2.144 8.714 7.891) 11.950 4.412 ( -2.876 3.364 4.507) 6.317 4.533 ( -3.189 -6.347 6.197) 9.427 4.703 ( -5.074 -5.492 7.541) 10.619 5.036 ( -5.004 -3.212 -0.551) 5.972 5.110 ( 8.422 -11.208 -0.252) 14.022 5.201 ( 4.324 4.320 -5.276) 8.074 5.312 ( 6.411 -8.469 -1.997) 10.809 5.759 ( -3.322 5.152 -4.701) 7.725 5.807 ( -1.187 2.276 -0.122) 2.570 5.957 ( 1.056 2.711 1.173) 3.137 6.017 ( 2.565 -2.547 4.424) 5.712 6.074 ( -1.743 9.149 -1.924) 9.510 6.107 ( 2.875 3.094 -0.077) 4.224 6.204 ( 2.862 -5.766 -1.030) 6.519 6.214 ( 0.627 -4.867 1.478) 5.125 6.567 ( 0.046 7.050 -5.315) 8.829 6.674 ( -6.230 4.465 -1.625) 7.835 6.777 ( -2.849 -6.084 -6.411) 9.286 6.840 ( -3.527 -11.054 -8.011) 14.100 7.021 ( -9.373 4.698 2.646) 10.814 7.180 ( -3.667 -6.201 3.147) 7.861 7.241 ( -1.632 1.377 7.122) 7.435 7.333 ( -0.696 -4.200 6.772) 7.999 7.642 ( 0.919 2.363 -4.126) 4.843 7.693 ( 1.350 -2.852 -4.572) 5.555 7.827 ( 0.957 2.055 2.697) 3.523 7.885 ( -1.261 -3.334 3.861) 5.255 8.091 ( -10.934 12.227 1.163) 16.444 8.177 ( -9.368 8.342 2.869) 12.868 8.239 ( -5.046 -1.302 1.984) 5.576 8.321 ( -8.076 -6.878 -0.129) 10.609 8.548 ( 4.192 4.454 0.656) 6.151 8.726 ( -3.698 -10.917 -3.587) 12.071 8.928 ( -6.352 7.725 0.805) 10.033 9.111 ( -10.292 -9.810 -2.336) 14.409 9.478 ( 11.112 0.458 0.793) 11.150 9.497 ( 10.046 -1.404 1.053) 10.198 9.966 ( 10.045 10.856 1.483) 14.865 10.071 ( 10.179 11.000 0.315) 14.991 10.182 ( -1.230 -5.912 -4.422) 7.485 10.359 ( 14.604 -12.396 -6.631) 20.271 10.682 ( 0.324 1.705 1.469) 2.274 10.742 ( 2.016 -4.574 3.379) 6.033 11.116 ( 5.229 -1.059 -1.053) 5.438 11.120 ( 4.026 -1.085 -2.995) 5.134 11.290 ( 6.985 2.748 1.498) 7.654 11.320 ( 3.558 -0.967 4.423) 5.758 11.941 ( 4.210 13.231 0.617) 13.898 12.173 ( 5.960 -10.942 -2.342) 12.678 12.294 ( -1.933 8.462 -1.956) 8.898 12.350 ( -1.016 0.335 -0.069) 1.072 12.375 ( -1.295 3.987 0.570) 4.231 12.518 ( -3.816 -5.767 1.257) 7.029 12.881 ( -11.530 5.715 -1.026) 12.910 13.011 ( -11.267 -6.878 -8.035) 15.453 13.066 ( 0.064 3.404 -19.854) 20.144 13.140 ( 1.466 -2.949 -22.158) 22.401 13.258 ( -5.474 2.446 -11.726) 13.170 13.299 ( -4.823 -1.777 -13.385) 14.338 14.084 ( 4.473 8.256 12.144) 15.351 14.244 ( 1.576 -2.170 25.167) 25.310 14.289 ( 0.430 -2.855 10.064) 10.469 14.374 ( -1.451 -6.129 21.453) 22.358 14.931 ( 16.061 9.774 -1.907) 18.898 15.099 ( 8.399 -1.114 2.953) 8.972 15.159 ( 11.953 -0.747 5.635) 13.236 15.232 ( 18.550 -13.978 -4.002) 23.569 15.960 ( -5.404 1.048 -5.227) 7.591 15.997 ( -10.358 -1.771 -3.641) 11.121 16.139 ( -8.736 3.130 4.846) 10.469 16.240 ( -5.710 -7.947 3.453) 10.377 18.952 ( -12.363 36.040 -7.580) 38.848 19.245 ( -13.559 29.239 3.301) 32.399 19.660 ( -11.250 -39.267 -4.958) 41.146 19.823 ( -11.122 -31.689 2.818) 33.702 22.131 ( 6.169 17.731 -8.492) 20.605 22.395 ( 6.733 -8.034 -7.668) 12.987 22.544 ( 2.454 11.437 3.743) 12.282 22.736 ( 5.093 -6.784 4.470) 9.588 ======================= Grid point 67 (30/60) ======================= q-point: ( 0.44 0.40 0.17) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -0.372 4.220 -6.456) 7.721 1.320 ( -0.343 -6.528 -8.346) 10.602 1.467 ( -0.714 6.532 3.723) 7.552 1.573 ( 0.358 -4.076 2.605) 4.851 2.076 ( 13.336 0.766 -0.878) 13.387 2.197 ( 6.600 -10.608 -5.369) 13.599 2.353 ( -9.391 -0.156 1.384) 9.494 2.457 ( -3.484 -10.388 1.267) 11.030 2.651 ( 4.010 6.297 -2.859) 7.994 2.682 ( 0.224 3.023 -1.806) 3.529 2.747 ( 0.250 -3.326 -3.752) 5.020 2.781 ( 2.984 0.190 -6.081) 6.777 2.813 ( 2.923 2.903 -6.564) 7.750 3.051 ( 7.644 -13.516 -11.228) 19.162 3.196 ( -4.876 7.997 2.207) 9.623 3.298 ( 0.207 -1.480 0.993) 1.794 3.451 ( 6.547 4.517 1.647) 8.123 3.533 ( 9.220 -1.009 -0.445) 9.286 3.609 ( -1.099 7.357 3.581) 8.256 3.766 ( -2.198 -5.937 1.736) 6.565 3.832 ( 2.196 2.792 -1.407) 3.820 3.881 ( 5.211 -2.585 -3.263) 6.669 3.956 ( 5.028 4.957 0.664) 7.092 4.047 ( 2.324 -2.459 2.086) 3.974 4.064 ( 1.980 4.514 3.354) 5.962 4.134 ( -2.652 0.545 4.507) 5.257 4.191 ( -7.544 -1.017 3.832) 8.523 4.236 ( -1.313 -3.863 4.170) 5.834 4.341 ( -2.233 2.320 5.547) 6.414 4.431 ( -3.662 1.530 7.207) 8.227 4.467 ( -2.536 -0.144 8.523) 8.894 4.592 ( -6.359 -6.339 8.442) 12.324 5.093 ( 10.299 12.086 0.251) 15.881 5.234 ( -2.003 10.732 -2.356) 11.168 5.322 ( 8.192 -7.015 -4.993) 11.886 5.411 ( 3.297 -8.315 -1.875) 9.140 5.708 ( -1.532 2.779 -6.615) 7.337 5.783 ( -0.769 -3.701 -1.934) 4.246 5.909 ( -2.376 3.873 3.393) 5.671 6.009 ( -1.140 0.138 1.639) 2.001 6.024 ( -2.746 10.248 -4.042) 11.354 6.179 ( 1.717 7.374 -0.486) 7.587 6.268 ( 3.665 -5.021 -4.061) 7.426 6.347 ( 6.731 -10.790 2.223) 12.910 6.539 ( 0.206 6.959 -0.566) 6.985 6.583 ( -3.199 9.337 1.140) 9.936 6.747 ( -1.398 -10.042 -4.571) 11.121 6.781 ( -2.040 -6.611 -7.791) 10.420 6.826 ( -8.757 3.061 0.844) 9.315 7.090 ( -3.153 -15.988 1.454) 16.360 7.243 ( 0.206 4.435 11.130) 11.983 7.322 ( -0.285 -3.490 10.193) 10.777 7.653 ( 0.315 4.028 -4.362) 5.946 7.718 ( 1.113 -2.707 -4.451) 5.327 7.815 ( -3.252 4.567 1.607) 5.832 7.845 ( -0.094 1.098 0.471) 1.198 7.981 ( -1.534 5.138 1.978) 5.716 8.047 ( -3.665 9.879 4.796) 11.577 8.127 ( -4.037 -6.261 -1.784) 7.660 8.233 ( -2.253 -8.373 2.015) 8.901 8.653 ( 5.037 1.193 -1.756) 5.466 8.707 ( 2.589 -2.922 -3.144) 5.013 8.816 ( -4.587 1.060 1.095) 4.833 8.888 ( -10.667 -5.332 -0.456) 11.934 9.677 ( 10.167 3.282 -0.129) 10.685 9.741 ( 12.953 -3.018 -0.855) 13.328 9.862 ( -8.281 5.546 -0.234) 9.969 9.983 ( -11.662 -6.622 -2.179) 13.586 10.446 ( 11.540 9.328 -2.118) 14.989 10.596 ( 7.146 -3.568 -3.474) 8.709 10.669 ( -1.353 2.009 1.770) 3.000 10.786 ( 2.277 -6.717 2.741) 7.604 11.183 ( 2.367 1.835 -0.856) 3.115 11.247 ( 5.802 -4.163 -0.326) 7.148 11.346 ( 0.064 2.425 4.806) 5.384 11.386 ( 1.060 -1.305 4.258) 4.578 12.020 ( 4.035 15.243 -0.175) 15.769 12.180 ( -6.255 15.677 1.570) 16.952 12.256 ( 1.914 -7.761 -1.994) 8.239 12.415 ( -1.834 -5.028 2.239) 5.802 12.425 ( 7.710 1.435 -0.341) 7.850 12.476 ( 7.791 -6.551 -2.551) 10.494 12.642 ( -12.689 3.476 -0.202) 13.158 12.748 ( -13.375 -8.173 -1.803) 15.778 13.099 ( 2.601 2.778 -23.867) 24.169 13.147 ( -0.673 -1.703 -21.733) 21.810 13.167 ( -3.292 1.474 -19.549) 19.879 13.200 ( -4.163 -1.531 -18.847) 19.362 14.142 ( 1.620 7.897 16.684) 18.530 14.269 ( 0.976 5.161 22.213) 22.825 14.316 ( 1.127 -9.298 17.235) 19.616 14.375 ( 0.529 -5.698 21.312) 22.066 15.165 ( 7.160 5.964 -4.739) 10.454 15.264 ( 7.914 -2.782 -3.497) 9.088 15.378 ( 6.271 3.553 4.718) 8.615 15.465 ( 6.202 -4.071 0.924) 7.476 15.807 ( -7.116 2.580 -3.198) 8.217 15.897 ( -0.289 -7.984 -4.501) 9.170 15.986 ( -6.326 5.712 4.560) 9.666 16.139 ( -4.067 -10.637 4.172) 12.128 18.802 ( -3.709 34.527 -8.514) 35.754 19.063 ( -5.077 31.348 3.796) 31.982 19.514 ( -3.927 -41.020 -5.093) 41.521 19.674 ( -4.154 -33.811 2.681) 34.171 22.207 ( 1.930 18.218 -9.274) 20.533 22.493 ( 3.398 -9.467 -7.123) 12.325 22.562 ( -0.352 14.549 5.317) 15.494 22.803 ( 1.806 -8.480 5.791) 10.426 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 0.000 0.000 20.759) 20.759 1.204 ( 0.000 0.000 17.070) 17.070 1.391 ( 0.000 0.000 -2.120) 2.120 1.452 ( 0.000 0.000 2.406) 2.406 1.491 ( 0.000 0.000 7.195) 7.195 1.636 ( 0.000 0.000 -12.109) 12.109 1.713 ( 0.000 0.000 28.828) 28.828 2.023 ( 0.000 0.000 -7.236) 7.236 2.049 ( 0.000 0.000 9.186) 9.186 2.060 ( 0.000 0.000 -8.935) 8.935 2.175 ( 0.000 0.000 -22.082) 22.082 2.389 ( 0.000 0.000 -0.541) 0.541 2.392 ( 0.000 0.000 -2.411) 2.411 2.750 ( 0.000 0.000 -6.290) 6.290 2.991 ( 0.000 0.000 2.043) 2.043 3.072 ( 0.000 0.000 1.665) 1.665 3.324 ( 0.000 0.000 9.261) 9.261 3.353 ( 0.000 0.000 6.870) 6.870 3.440 ( 0.000 0.000 -0.700) 0.700 3.522 ( 0.000 0.000 -2.030) 2.030 3.557 ( 0.000 0.000 12.187) 12.187 3.665 ( 0.000 0.000 4.815) 4.815 3.831 ( 0.000 0.000 10.101) 10.101 4.074 ( 0.000 0.000 -15.465) 15.465 4.202 ( 0.000 0.000 -16.044) 16.044 4.253 ( 0.000 0.000 5.440) 5.440 4.283 ( 0.000 0.000 -15.874) 15.874 4.389 ( 0.000 0.000 14.353) 14.353 4.429 ( 0.000 0.000 -1.670) 1.670 4.714 ( 0.000 0.000 2.217) 2.217 4.781 ( 0.000 0.000 -2.706) 2.706 4.798 ( 0.000 0.000 -1.105) 1.105 4.959 ( 0.000 0.000 -8.515) 8.515 5.040 ( 0.000 0.000 -17.081) 17.081 5.393 ( 0.000 0.000 14.279) 14.279 5.726 ( 0.000 0.000 7.697) 7.697 5.821 ( 0.000 0.000 4.800) 4.800 5.871 ( 0.000 0.000 -9.777) 9.777 5.952 ( 0.000 0.000 6.557) 6.557 5.976 ( 0.000 0.000 0.714) 0.714 6.143 ( 0.000 0.000 -0.351) 0.351 6.260 ( 0.000 0.000 -2.340) 2.340 6.309 ( 0.000 0.000 5.187) 5.187 6.546 ( 0.000 0.000 2.310) 2.310 6.661 ( 0.000 0.000 7.826) 7.826 6.704 ( 0.000 0.000 -4.371) 4.371 6.752 ( 0.000 0.000 -14.070) 14.070 6.849 ( 0.000 0.000 1.238) 1.238 6.953 ( 0.000 0.000 -5.937) 5.937 6.953 ( 0.000 0.000 -1.817) 1.817 7.272 ( 0.000 0.000 6.626) 6.626 7.312 ( 0.000 0.000 6.674) 6.674 7.485 ( 0.000 0.000 -0.655) 0.655 7.547 ( 0.000 0.000 -4.935) 4.935 7.887 ( 0.000 0.000 2.020) 2.020 7.918 ( 0.000 0.000 4.892) 4.892 7.935 ( 0.000 0.000 3.005) 3.005 8.001 ( 0.000 0.000 -4.408) 4.408 8.043 ( 0.000 0.000 -0.877) 0.877 8.091 ( 0.000 0.000 -5.410) 5.410 8.593 ( 0.000 0.000 3.340) 3.340 8.659 ( 0.000 0.000 -0.966) 0.966 8.704 ( 0.000 0.000 2.386) 2.386 8.842 ( 0.000 0.000 -5.255) 5.255 9.488 ( 0.000 0.000 4.735) 4.735 9.518 ( 0.000 0.000 -1.949) 1.949 9.543 ( 0.000 0.000 -3.207) 3.207 9.667 ( 0.000 0.000 -4.700) 4.700 10.091 ( 0.000 0.000 6.708) 6.708 10.111 ( 0.000 0.000 9.172) 9.172 10.116 ( 0.000 0.000 6.977) 6.977 10.402 ( 0.000 0.000 -7.086) 7.086 11.070 ( 0.000 0.000 -3.171) 3.171 11.143 ( 0.000 0.000 -7.784) 7.784 11.690 ( 0.000 0.000 6.317) 6.317 11.737 ( 0.000 0.000 3.999) 3.999 11.874 ( 0.000 0.000 6.984) 6.984 12.075 ( 0.000 0.000 -4.251) 4.251 12.116 ( 0.000 0.000 -2.034) 2.034 12.119 ( 0.000 0.000 -1.508) 1.508 12.394 ( 0.000 0.000 0.547) 0.547 12.731 ( 0.000 0.000 6.917) 6.917 12.740 ( 0.000 0.000 6.833) 6.833 12.830 ( 0.000 0.000 -18.685) 18.685 12.926 ( 0.000 0.000 2.191) 2.191 13.002 ( 0.000 0.000 -1.552) 1.552 13.086 ( 0.000 0.000 -1.623) 1.623 13.129 ( 0.000 0.000 -2.145) 2.145 13.888 ( 0.000 0.000 0.252) 0.252 14.109 ( 0.000 0.000 -8.481) 8.481 14.614 ( 0.000 0.000 2.650) 2.650 14.668 ( 0.000 0.000 0.572) 0.572 14.730 ( 0.000 0.000 0.672) 0.672 14.751 ( 0.000 0.000 -0.380) 0.380 15.006 ( 0.000 0.000 18.508) 18.508 15.481 ( 0.000 0.000 -2.855) 2.855 16.257 ( 0.000 0.000 -2.325) 2.325 16.339 ( 0.000 0.000 -4.415) 4.415 16.429 ( 0.000 0.000 1.721) 1.721 16.517 ( 0.000 0.000 -2.306) 2.306 19.706 ( 0.000 0.000 0.647) 0.647 19.709 ( 0.000 0.000 0.453) 0.453 20.413 ( 0.000 0.000 2.680) 2.680 20.574 ( 0.000 0.000 -5.748) 5.748 21.483 ( 0.000 0.000 7.108) 7.108 21.723 ( 0.000 0.000 -4.955) 4.955 21.821 ( 0.000 0.000 8.205) 8.205 22.221 ( 0.000 0.000 -11.094) 11.094 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.11 0.00 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 14.756 0.000 15.718) 21.559 1.315 ( 9.148 0.000 14.293) 16.970 1.368 ( -4.311 0.000 -3.904) 5.817 1.422 ( -0.714 0.000 -2.780) 2.870 1.575 ( 6.480 0.000 9.458) 11.466 1.600 ( 1.232 0.000 -0.877) 1.513 1.888 ( 11.915 0.000 0.885) 11.948 1.999 ( 8.279 0.000 -9.266) 12.426 2.061 ( 11.992 0.000 23.788) 26.640 2.243 ( 15.199 0.000 -5.511) 16.167 2.310 ( 7.021 0.000 -16.265) 17.716 2.513 ( 11.999 0.000 0.205) 12.001 2.523 ( 10.812 0.000 -3.593) 11.393 2.790 ( 5.566 0.000 -4.206) 6.976 3.034 ( 4.807 0.000 4.631) 6.674 3.077 ( 0.827 0.000 2.214) 2.363 3.244 ( -3.365 0.000 5.746) 6.659 3.370 ( -7.343 0.000 1.797) 7.560 3.428 ( 2.215 0.000 2.961) 3.698 3.448 ( -5.495 0.000 -2.012) 5.852 3.575 ( 3.258 0.000 13.019) 13.421 3.670 ( 0.965 0.000 1.877) 2.111 3.779 ( -5.767 0.000 9.462) 11.081 3.966 ( -7.530 0.000 -9.138) 11.841 4.156 ( -6.970 0.000 -5.191) 8.691 4.230 ( 0.243 0.000 -16.526) 16.528 4.335 ( 5.695 0.000 0.667) 5.734 4.428 ( 0.607 0.000 -1.589) 1.701 4.484 ( 4.898 0.000 5.478) 7.349 4.699 ( -1.769 0.000 1.875) 2.577 4.721 ( -6.148 0.000 1.189) 6.262 4.761 ( -1.736 0.000 -2.049) 2.686 4.889 ( -4.560 0.000 -10.796) 11.720 5.111 ( 4.903 0.000 -15.481) 16.239 5.296 ( -8.880 0.000 12.418) 15.266 5.713 ( -4.248 0.000 3.377) 5.427 5.742 ( -7.540 0.000 -6.190) 9.755 5.870 ( 0.804 0.000 2.955) 3.063 5.957 ( -0.353 0.000 7.741) 7.749 5.984 ( 0.153 0.000 2.071) 2.077 6.069 ( -2.202 0.000 3.964) 4.535 6.157 ( -1.358 0.000 -1.088) 1.740 6.286 ( 3.228 0.000 3.532) 4.785 6.612 ( 0.826 0.000 2.314) 2.457 6.619 ( -2.621 0.000 6.641) 7.140 6.701 ( 0.991 0.000 -12.871) 12.909 6.761 ( -1.358 0.000 -2.999) 3.292 6.882 ( -5.413 0.000 -3.990) 6.725 7.050 ( 11.060 0.000 5.318) 12.272 7.237 ( -1.555 0.000 -0.997) 1.848 7.372 ( 5.979 0.000 5.719) 8.273 7.476 ( 6.866 0.000 0.407) 6.878 7.566 ( 7.425 0.000 1.473) 7.570 7.637 ( 11.788 0.000 -6.431) 13.428 7.896 ( -1.950 0.000 0.330) 1.978 7.936 ( -1.263 0.000 0.069) 1.265 8.024 ( 13.606 0.000 2.786) 13.888 8.073 ( 12.142 0.000 -0.499) 12.152 8.127 ( 2.798 0.000 -2.956) 4.071 8.408 ( 27.027 0.000 -14.021) 30.447 8.510 ( -10.290 0.000 1.090) 10.348 8.556 ( 12.113 0.000 -6.718) 13.851 8.747 ( 1.552 0.000 5.652) 5.861 8.941 ( 3.953 0.000 -3.740) 5.442 9.175 ( -13.572 0.000 0.168) 13.573 9.272 ( -5.773 0.000 -6.841) 8.951 9.781 ( 5.494 0.000 -0.746) 5.544 9.793 ( -3.370 0.000 -0.643) 3.430 10.118 ( 1.424 0.000 8.222) 8.344 10.157 ( 7.235 0.000 5.180) 8.898 10.227 ( 15.106 0.000 1.776) 15.210 10.444 ( 4.269 0.000 -4.128) 5.939 11.084 ( 0.690 0.000 -3.531) 3.598 11.125 ( -1.702 0.000 -6.642) 6.857 11.566 ( -20.232 0.000 -1.097) 20.262 11.654 ( -21.957 0.000 -5.026) 22.525 11.747 ( 4.818 0.000 5.811) 7.549 11.828 ( 5.998 0.000 5.712) 8.283 12.195 ( 2.455 0.000 3.836) 4.554 12.363 ( 4.113 0.000 -0.307) 4.124 12.398 ( 1.409 0.000 -1.705) 2.212 12.533 ( -6.681 0.000 -5.527) 8.671 12.765 ( 2.091 0.000 7.216) 7.513 12.948 ( 1.475 0.000 -4.872) 5.090 13.022 ( 4.481 0.000 -0.628) 4.525 13.022 ( 1.207 0.000 1.004) 1.570 13.140 ( 2.383 0.000 -2.453) 3.420 13.188 ( 8.402 0.000 -8.113) 11.680 13.905 ( 2.129 0.000 2.393) 3.203 14.239 ( 10.969 0.000 -12.652) 16.745 14.577 ( -2.311 0.000 2.303) 3.262 14.619 ( -2.889 0.000 0.973) 3.049 14.712 ( -0.536 0.000 2.877) 2.927 14.744 ( 0.183 0.000 0.598) 0.625 15.081 ( 6.341 0.000 17.207) 18.338 15.471 ( -1.226 0.000 -0.619) 1.373 16.253 ( -0.811 0.000 -4.214) 4.291 16.273 ( -5.849 0.000 -3.403) 6.767 16.440 ( -0.032 0.000 0.733) 0.734 16.503 ( -1.612 0.000 -1.991) 2.561 19.027 ( -40.730 0.000 18.078) 44.562 19.380 ( -26.616 0.000 -4.007) 26.916 20.813 ( 16.285 0.000 -1.941) 16.400 20.995 ( 28.365 0.000 -14.410) 31.815 21.370 ( -8.498 0.000 4.480) 9.607 21.420 ( -13.643 0.000 0.953) 13.676 22.156 ( 19.238 0.000 1.527) 19.298 22.345 ( 10.790 0.000 -7.612) 13.205 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.22 0.00 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -4.763 0.000 -0.370) 4.778 1.366 ( -0.420 0.000 2.885) 2.915 1.427 ( -0.947 0.000 -7.984) 8.040 1.442 ( 1.764 0.000 2.793) 3.303 1.743 ( 14.204 0.000 8.604) 16.607 1.810 ( 17.630 0.000 15.020) 23.161 2.073 ( 11.368 0.000 -5.830) 12.776 2.310 ( 15.002 0.000 -2.867) 15.274 2.441 ( 12.401 0.000 -11.131) 16.663 2.463 ( 18.855 0.000 -3.918) 19.257 2.578 ( 14.556 0.000 7.169) 16.226 2.698 ( 4.980 0.000 -5.543) 7.452 2.819 ( 19.777 0.000 5.970) 20.659 2.958 ( 12.566 0.000 0.757) 12.589 3.085 ( -1.512 0.000 9.827) 9.943 3.113 ( -2.932 0.000 3.743) 4.755 3.238 ( 5.337 0.000 6.818) 8.658 3.266 ( 1.547 0.000 1.415) 2.096 3.393 ( 0.570 0.000 -5.428) 5.458 3.499 ( 11.511 0.000 -2.921) 11.876 3.609 ( -10.115 0.000 6.727) 12.148 3.685 ( 4.777 0.000 10.389) 11.435 3.695 ( 1.589 0.000 -0.499) 1.665 3.857 ( -2.597 0.000 -2.830) 3.841 4.006 ( -8.083 0.000 -4.025) 9.029 4.215 ( -3.462 0.000 -12.370) 12.846 4.429 ( 3.591 0.000 0.861) 3.693 4.441 ( 1.036 0.000 0.469) 1.137 4.540 ( 0.390 0.000 2.856) 2.882 4.604 ( -5.439 0.000 4.383) 6.985 4.633 ( -5.455 0.000 0.219) 5.460 4.740 ( 0.266 0.000 -3.514) 3.525 4.827 ( -1.364 0.000 -11.173) 11.256 5.114 ( -9.563 0.000 9.422) 13.424 5.192 ( 2.909 0.000 -16.608) 16.861 5.498 ( -12.694 0.000 -9.432) 15.814 5.709 ( -0.804 0.000 6.518) 6.568 5.855 ( 0.434 0.000 3.552) 3.578 5.932 ( -2.439 0.000 6.169) 6.634 5.972 ( -3.542 0.000 2.648) 4.422 6.079 ( -0.039 0.000 -0.189) 0.193 6.097 ( -5.140 0.000 0.267) 5.147 6.371 ( 4.603 0.000 4.491) 6.431 6.594 ( -1.103 0.000 5.949) 6.051 6.610 ( -8.840 0.000 -0.367) 8.848 6.704 ( 6.766 0.000 -0.760) 6.809 6.741 ( 1.837 0.000 -2.368) 2.997 6.813 ( -1.172 0.000 -10.582) 10.647 7.089 ( -2.897 0.000 3.915) 4.871 7.170 ( -3.963 0.000 0.377) 3.981 7.469 ( 3.678 0.000 4.313) 5.668 7.565 ( 3.753 0.000 0.385) 3.773 7.645 ( 1.557 0.000 2.692) 3.109 7.744 ( 1.002 0.000 -1.449) 1.762 7.836 ( -3.129 0.000 -2.932) 4.288 7.850 ( -7.576 0.000 -1.402) 7.705 8.112 ( -4.369 0.000 3.288) 5.468 8.129 ( 0.550 0.000 3.340) 3.385 8.328 ( 0.730 0.000 0.140) 0.743 8.381 ( -4.319 0.000 -1.502) 4.573 8.664 ( -7.717 0.000 5.159) 9.282 8.720 ( -2.527 0.000 -0.075) 2.528 8.820 ( 24.181 0.000 3.624) 24.451 8.963 ( 8.837 0.000 -5.428) 10.371 9.249 ( 16.568 0.000 0.624) 16.580 9.592 ( 2.810 0.000 -3.949) 4.847 9.710 ( -9.325 0.000 -3.632) 10.007 9.764 ( 25.859 0.000 -21.560) 33.668 10.076 ( -4.303 0.000 11.094) 11.899 10.331 ( 4.168 0.000 1.453) 4.414 10.560 ( 9.270 0.000 -2.720) 9.661 10.572 ( 16.504 0.000 -2.794) 16.739 11.072 ( -1.297 0.000 -0.667) 1.458 11.100 ( 0.002 0.000 -2.835) 2.835 11.241 ( -10.381 0.000 -2.066) 10.584 11.357 ( -7.586 0.000 -7.574) 10.720 11.817 ( 1.741 0.000 6.576) 6.802 11.954 ( 5.433 0.000 3.189) 6.300 12.236 ( 2.787 0.000 1.170) 3.023 12.345 ( -1.486 0.000 -0.191) 1.498 12.414 ( -0.121 0.000 -0.288) 0.313 12.513 ( 1.042 0.000 -9.282) 9.340 12.781 ( -1.425 0.000 6.785) 6.933 12.882 ( -6.344 0.000 -0.441) 6.360 13.005 ( -4.471 0.000 -7.231) 8.502 13.029 ( -2.288 0.000 -5.405) 5.869 13.177 ( -1.791 0.000 -4.605) 4.941 13.266 ( -2.118 0.000 -7.562) 7.853 13.987 ( 6.754 0.000 7.323) 9.962 14.348 ( 0.879 0.000 -5.906) 5.971 14.607 ( 6.848 0.000 3.485) 7.684 14.637 ( 2.528 0.000 3.541) 4.351 14.736 ( 3.217 0.000 5.178) 6.096 14.865 ( 14.278 0.000 -3.837) 14.784 15.214 ( 7.573 0.000 15.811) 17.531 15.431 ( -2.948 0.000 1.675) 3.390 16.128 ( -9.598 0.000 -3.369) 10.172 16.209 ( -4.051 0.000 -6.408) 7.581 16.415 ( -2.329 0.000 0.508) 2.384 16.453 ( -3.608 0.000 -1.457) 3.891 18.421 ( -22.850 0.000 16.965) 28.460 18.868 ( -25.340 0.000 -7.331) 26.379 20.927 ( -5.887 0.000 0.408) 5.901 21.016 ( -13.059 0.000 -1.603) 13.157 21.350 ( 8.109 0.000 1.813) 8.309 21.511 ( 11.815 0.000 -11.399) 16.417 22.487 ( 14.884 0.000 0.266) 14.886 22.560 ( 10.749 0.000 -3.679) 11.361 ======================= Grid point 93 (34/60) ======================= q-point: ( 0.33 0.00 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -0.228 0.000 2.598) 2.608 1.340 ( -2.155 0.000 0.992) 2.372 1.425 ( 0.765 0.000 -8.139) 8.175 1.447 ( -0.109 0.000 -3.345) 3.347 2.055 ( 16.780 0.000 6.841) 18.121 2.193 ( 21.762 0.000 12.448) 25.071 2.315 ( 12.810 0.000 -5.731) 14.034 2.467 ( 5.713 0.000 -1.664) 5.951 2.631 ( 0.106 0.000 -0.533) 0.543 2.720 ( 0.144 0.000 -4.405) 4.408 2.758 ( 2.896 0.000 -1.699) 3.358 2.798 ( 16.998 0.000 -5.457) 17.853 2.897 ( -3.628 0.000 3.589) 5.104 3.058 ( -0.828 0.000 0.531) 0.983 3.159 ( 7.972 0.000 3.164) 8.577 3.166 ( 5.111 0.000 1.921) 5.460 3.303 ( 3.318 0.000 7.359) 8.072 3.394 ( -5.588 0.000 0.644) 5.625 3.435 ( 4.069 0.000 -2.308) 4.678 3.682 ( 22.151 0.000 -0.656) 22.161 3.692 ( 0.636 0.000 6.982) 7.010 3.738 ( 6.984 0.000 0.869) 7.038 3.795 ( 10.896 0.000 3.536) 11.455 3.902 ( -0.390 0.000 -2.455) 2.486 3.957 ( 12.102 0.000 0.676) 12.121 4.111 ( -4.947 0.000 -3.296) 5.944 4.358 ( -11.279 0.000 3.355) 11.767 4.450 ( -3.229 0.000 1.534) 3.575 4.497 ( -6.848 0.000 -0.348) 6.856 4.503 ( -3.532 0.000 5.655) 6.667 4.609 ( 6.272 0.000 0.910) 6.338 4.776 ( 2.814 0.000 -5.597) 6.265 4.835 ( 1.140 0.000 -8.802) 8.876 4.945 ( -7.463 0.000 5.164) 9.075 5.189 ( -4.045 0.000 -15.389) 15.912 5.255 ( -12.595 0.000 -9.409) 15.722 5.707 ( 0.824 0.000 4.162) 4.242 5.869 ( -5.409 0.000 -1.968) 5.756 5.871 ( -3.492 0.000 2.865) 4.517 5.897 ( 2.587 0.000 6.544) 7.037 5.985 ( -5.110 0.000 1.982) 5.481 6.032 ( -4.620 0.000 -3.523) 5.810 6.409 ( -9.615 0.000 1.832) 9.788 6.483 ( 7.358 0.000 3.695) 8.234 6.513 ( -6.573 0.000 -0.877) 6.631 6.779 ( -2.360 0.000 -9.060) 9.362 6.862 ( 8.429 0.000 4.780) 9.690 6.873 ( 7.950 0.000 2.367) 8.295 7.022 ( -3.082 0.000 3.367) 4.564 7.107 ( -2.491 0.000 0.071) 2.492 7.488 ( -2.709 0.000 4.996) 5.684 7.575 ( -3.751 0.000 2.244) 4.372 7.652 ( -0.702 0.000 3.218) 3.294 7.687 ( -4.022 0.000 0.071) 4.023 7.718 ( -3.034 0.000 -3.669) 4.761 7.816 ( -0.483 0.000 -6.644) 6.661 8.039 ( -1.558 0.000 9.438) 9.566 8.101 ( -1.272 0.000 7.400) 7.509 8.304 ( -4.227 0.000 -2.273) 4.799 8.438 ( 7.875 0.000 -3.722) 8.710 8.451 ( -12.931 0.000 -0.289) 12.934 8.584 ( 0.272 0.000 -0.081) 0.284 9.018 ( -4.126 0.000 -2.430) 4.788 9.145 ( -1.144 0.000 -6.637) 6.735 9.529 ( -0.355 0.000 0.276) 0.449 9.558 ( 3.653 0.000 -0.622) 3.705 9.819 ( 30.656 0.000 8.384) 31.782 9.953 ( -5.890 0.000 8.032) 9.960 10.242 ( -10.091 0.000 -5.018) 11.270 10.286 ( 17.033 0.000 -14.179) 22.163 10.759 ( 8.680 0.000 -1.120) 8.752 10.769 ( 6.075 0.000 -1.515) 6.261 11.149 ( 6.197 0.000 -0.215) 6.201 11.152 ( 9.796 0.000 -0.320) 9.802 11.217 ( 5.090 0.000 0.017) 5.090 11.322 ( 1.546 0.000 -4.750) 4.995 11.819 ( -0.924 0.000 8.838) 8.886 11.996 ( -1.396 0.000 4.394) 4.610 12.293 ( 3.050 0.000 -2.294) 3.817 12.322 ( -0.916 0.000 -0.153) 0.929 12.402 ( -1.137 0.000 1.029) 1.534 12.548 ( 2.376 0.000 -12.702) 12.923 12.715 ( -4.289 0.000 4.420) 6.159 12.735 ( -8.449 0.000 -0.468) 8.462 12.886 ( -7.380 0.000 -13.644) 15.512 12.950 ( -5.066 0.000 -8.587) 9.970 13.061 ( -8.724 0.000 -9.168) 12.656 13.096 ( -14.063 0.000 -9.290) 16.854 14.150 ( 9.615 0.000 10.788) 14.451 14.382 ( 2.747 0.000 3.282) 4.280 14.700 ( 4.525 0.000 8.582) 9.702 14.798 ( 5.980 0.000 10.650) 12.214 14.836 ( 11.732 0.000 1.344) 11.809 15.137 ( 11.043 0.000 -1.413) 11.133 15.376 ( -2.063 0.000 -0.197) 2.072 15.385 ( 10.956 0.000 13.814) 17.631 15.906 ( -13.415 0.000 -3.852) 13.957 16.098 ( -7.542 0.000 -5.109) 9.110 16.366 ( -2.505 0.000 -0.178) 2.512 16.376 ( -4.048 0.000 -1.737) 4.405 18.134 ( -8.200 0.000 7.698) 11.247 18.454 ( -17.885 0.000 -7.655) 19.454 20.766 ( -8.185 0.000 0.471) 8.198 20.793 ( -9.577 0.000 -0.260) 9.580 21.526 ( 8.303 0.000 0.612) 8.326 21.654 ( 4.032 0.000 -7.285) 8.326 22.709 ( 8.442 0.000 -0.492) 8.456 22.730 ( 6.782 0.000 -1.726) 6.998 ======================= Grid point 94 (35/60) ======================= q-point: ( 0.44 0.00 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 2.458 0.000 2.987) 3.869 1.291 ( -2.831 0.000 1.871) 3.394 1.441 ( 0.625 0.000 -7.351) 7.377 1.447 ( -0.039 0.000 -5.726) 5.726 2.343 ( 13.086 0.000 4.340) 13.787 2.493 ( 2.980 0.000 1.642) 3.402 2.538 ( 2.161 0.000 2.020) 2.959 2.558 ( 7.842 0.000 4.056) 8.829 2.606 ( -3.580 0.000 0.221) 3.586 2.678 ( -4.251 0.000 -1.192) 4.415 2.692 ( 9.871 0.000 3.609) 10.510 2.964 ( 4.236 0.000 -3.040) 5.214 2.972 ( -4.907 0.000 -4.922) 6.951 3.065 ( -12.745 0.000 5.503) 13.882 3.108 ( 10.397 0.000 -5.211) 11.630 3.249 ( 0.650 0.000 -0.296) 0.715 3.287 ( 4.021 0.000 -2.256) 4.611 3.368 ( -8.282 0.000 -5.276) 9.820 3.606 ( 15.490 0.000 5.422) 16.411 3.788 ( 9.958 0.000 6.414) 11.845 3.865 ( 1.246 0.000 1.775) 2.169 3.884 ( -1.609 0.000 -0.447) 1.670 3.926 ( 2.761 0.000 0.819) 2.880 3.929 ( 3.384 0.000 4.530) 5.655 4.112 ( -9.586 0.000 4.219) 10.473 4.148 ( 1.217 0.000 0.632) 1.371 4.243 ( 12.040 0.000 -1.445) 12.126 4.292 ( -4.303 0.000 -3.335) 5.444 4.418 ( -4.022 0.000 5.273) 6.632 4.442 ( -2.894 0.000 4.458) 5.315 4.751 ( 3.230 0.000 6.772) 7.503 4.805 ( 6.431 0.000 0.903) 6.494 4.813 ( -3.973 0.000 0.062) 3.974 4.928 ( 5.818 0.000 -12.704) 13.973 5.007 ( -11.645 0.000 -2.652) 11.943 5.076 ( -8.413 0.000 -17.309) 19.245 5.732 ( 1.518 0.000 -1.528) 2.153 5.776 ( -3.590 0.000 -2.345) 4.288 5.839 ( 1.347 0.000 -1.593) 2.086 5.917 ( -5.260 0.000 -3.205) 6.160 5.943 ( 0.363 0.000 4.506) 4.521 5.951 ( 0.326 0.000 3.811) 3.825 6.301 ( -0.789 0.000 1.194) 1.431 6.374 ( -7.014 0.000 -0.971) 7.080 6.627 ( 6.680 0.000 -0.512) 6.700 6.721 ( -3.578 0.000 -5.364) 6.448 6.953 ( 0.465 0.000 8.595) 8.608 6.957 ( 0.813 0.000 6.519) 6.570 7.032 ( 4.015 0.000 1.228) 4.199 7.078 ( -1.049 0.000 0.783) 1.309 7.425 ( -1.048 0.000 5.493) 5.592 7.471 ( -5.051 0.000 4.331) 6.653 7.640 ( -0.648 0.000 2.809) 2.883 7.640 ( -1.154 0.000 0.670) 1.334 7.728 ( 2.523 0.000 -6.500) 6.972 7.784 ( -2.762 0.000 -7.284) 7.790 8.056 ( 2.602 0.000 9.691) 10.034 8.092 ( -0.375 0.000 6.733) 6.744 8.233 ( -2.617 0.000 -0.361) 2.642 8.256 ( -6.277 0.000 2.814) 6.879 8.600 ( 8.112 0.000 -6.969) 10.694 8.652 ( 4.645 0.000 -5.606) 7.280 8.880 ( -6.301 0.000 -0.955) 6.373 8.960 ( -12.109 0.000 -3.802) 12.692 9.618 ( 6.590 0.000 0.638) 6.621 9.678 ( 3.678 0.000 -2.283) 4.329 9.875 ( 0.914 0.000 2.584) 2.741 10.026 ( -11.227 0.000 -4.568) 12.121 10.279 ( 15.569 0.000 3.921) 16.055 10.426 ( -0.556 0.000 -2.752) 2.808 10.874 ( 3.649 0.000 -1.144) 3.825 10.877 ( 3.731 0.000 -1.514) 4.027 11.290 ( 5.926 0.000 1.269) 6.061 11.316 ( 4.654 0.000 0.665) 4.701 11.330 ( 5.218 0.000 1.484) 5.425 11.358 ( 1.375 0.000 0.149) 1.383 11.813 ( 1.497 0.000 10.090) 10.200 11.906 ( -6.990 0.000 9.236) 11.583 12.330 ( 1.842 0.000 -0.741) 1.985 12.355 ( 1.130 0.000 -3.669) 3.839 12.391 ( 3.312 0.000 0.088) 3.313 12.516 ( -7.188 0.000 -3.146) 7.847 12.662 ( 2.662 0.000 -12.990) 13.260 12.664 ( 0.002 0.000 -2.516) 2.516 12.754 ( -5.816 0.000 -18.117) 19.027 12.786 ( -11.891 0.000 -12.542) 17.283 12.906 ( -2.782 0.000 -7.382) 7.889 12.921 ( -4.525 0.000 -9.651) 10.659 14.319 ( 7.419 0.000 12.156) 14.241 14.406 ( -1.334 0.000 10.065) 10.153 14.788 ( 3.972 0.000 10.651) 11.368 14.835 ( -0.621 0.000 11.099) 11.116 15.083 ( 11.418 0.000 -0.824) 11.448 15.227 ( -2.345 0.000 -2.506) 3.432 15.399 ( 6.063 0.000 2.757) 6.660 15.558 ( -3.063 0.000 11.531) 11.931 15.715 ( 3.736 0.000 -4.053) 5.513 15.922 ( -11.130 0.000 -0.321) 11.134 16.321 ( -1.233 0.000 -2.568) 2.848 16.327 ( -1.465 0.000 -1.624) 2.187 18.080 ( 1.931 0.000 -0.278) 1.951 18.192 ( -9.738 0.000 -5.255) 11.066 20.657 ( -2.833 0.000 0.148) 2.837 20.665 ( -3.664 0.000 -0.098) 3.666 21.645 ( 4.222 0.000 -0.642) 4.270 21.688 ( -0.278 0.000 -3.068) 3.081 22.812 ( 2.605 0.000 -1.032) 2.802 22.815 ( 2.185 0.000 -1.231) 2.508 ======================= Grid point 99 (36/60) ======================= q-point: ( 0.00 0.20 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.000 -11.395 28.819) 30.990 1.144 ( 0.000 9.360 17.506) 19.851 1.393 ( 0.000 0.070 5.946) 5.947 1.434 ( 0.000 1.885 -9.020) 9.215 1.467 ( 0.000 0.230 2.415) 2.426 1.665 ( 0.000 2.104 -11.626) 11.815 1.708 ( 0.000 -6.525 5.184) 8.333 1.888 ( 0.000 -9.418 -11.931) 15.200 2.170 ( 0.000 1.769 -13.417) 13.533 2.183 ( 0.000 4.695 -11.596) 12.510 2.321 ( 0.000 19.203 6.849) 20.388 2.400 ( 0.000 0.995 -1.707) 1.976 2.413 ( 0.000 6.235 1.171) 6.344 2.594 ( 0.000 -7.067 -0.891) 7.123 3.010 ( 0.000 1.877 2.842) 3.406 3.140 ( 0.000 3.822 2.523) 4.580 3.275 ( 0.000 -5.399 8.663) 10.208 3.299 ( 0.000 -2.794 5.179) 5.884 3.393 ( 0.000 -0.617 2.702) 2.771 3.483 ( 0.000 -3.621 5.268) 6.393 3.527 ( 0.000 -1.382 -1.757) 2.235 3.792 ( 0.000 -2.669 7.155) 7.636 3.874 ( 0.000 13.970 7.996) 16.096 3.974 ( 0.000 -6.963 -11.371) 13.334 4.083 ( 0.000 -14.337 -12.181) 18.813 4.288 ( 0.000 2.733 -11.701) 12.016 4.318 ( 0.000 6.601 5.144) 8.369 4.511 ( 0.000 7.145 -2.204) 7.477 4.589 ( 0.000 18.095 17.097) 24.894 4.707 ( 0.000 -8.385 1.079) 8.454 4.758 ( 0.000 2.085 -2.108) 2.965 4.776 ( 0.000 -2.036 -0.135) 2.041 4.923 ( 0.000 -4.053 -8.415) 9.340 5.209 ( 0.000 -1.143 0.138) 1.151 5.271 ( 0.000 6.675 -2.528) 7.138 5.620 ( 0.000 -12.771 0.205) 12.772 5.749 ( 0.000 -5.255 7.555) 9.203 5.804 ( 0.000 -2.139 -5.431) 5.837 5.973 ( 0.000 -0.264 5.145) 5.152 5.988 ( 0.000 -13.518 3.328) 13.922 6.097 ( 0.000 2.356 1.542) 2.815 6.125 ( 0.000 -10.518 3.365) 11.043 6.210 ( 0.000 0.068 -0.845) 0.847 6.429 ( 0.000 -4.018 3.457) 5.301 6.608 ( 0.000 -8.651 -7.713) 11.590 6.666 ( 0.000 -6.518 -12.082) 13.728 6.871 ( 0.000 11.472 2.381) 11.717 6.917 ( 0.000 2.499 0.588) 2.567 6.991 ( 0.000 3.275 -1.166) 3.476 7.031 ( 0.000 5.674 -4.011) 6.949 7.151 ( 0.000 -7.547 8.459) 11.336 7.342 ( 0.000 1.763 2.741) 3.259 7.426 ( 0.000 -5.857 -3.572) 6.860 7.529 ( 0.000 -9.084 -7.306) 11.657 7.754 ( 0.000 -2.050 0.979) 2.272 7.789 ( 0.000 0.127 2.007) 2.011 7.931 ( 0.000 0.637 2.049) 2.146 8.026 ( 0.000 -0.149 -1.179) 1.188 8.231 ( 0.000 11.652 4.686) 12.559 8.327 ( 0.000 4.808 -0.810) 4.876 8.649 ( 0.000 6.746 0.445) 6.761 8.698 ( 0.000 14.168 -0.520) 14.177 8.845 ( 0.000 9.490 3.175) 10.007 8.947 ( 0.000 7.135 -3.414) 7.910 9.450 ( 0.000 -4.082 4.319) 5.943 9.530 ( 0.000 -1.113 -1.302) 1.713 9.565 ( 0.000 4.702 -0.990) 4.805 9.675 ( 0.000 -0.722 -4.283) 4.343 9.915 ( 0.000 -7.150 8.388) 11.022 10.094 ( 0.000 -0.332 1.461) 1.498 10.329 ( 0.000 9.610 -0.412) 9.619 10.332 ( 0.000 -5.626 -3.898) 6.844 11.093 ( 0.000 -4.351 -5.446) 6.970 11.097 ( 0.000 1.831 -3.225) 3.708 11.691 ( 0.000 0.100 4.867) 4.868 11.737 ( 0.000 -0.123 2.561) 2.564 11.826 ( 0.000 -3.348 5.645) 6.563 12.002 ( 0.000 -5.804 -2.666) 6.387 12.129 ( 0.000 1.034 -2.838) 3.021 12.145 ( 0.000 1.392 -3.917) 4.157 12.416 ( 0.000 2.012 -0.688) 2.126 12.680 ( 0.000 -7.045 -8.380) 10.947 12.745 ( 0.000 1.080 7.395) 7.473 12.776 ( 0.000 -1.139 3.556) 3.733 12.966 ( 0.000 2.208 -1.417) 2.623 13.046 ( 0.000 1.410 -4.095) 4.331 13.118 ( 0.000 5.428 0.536) 5.455 13.198 ( 0.000 5.350 -3.063) 6.165 13.879 ( 0.000 -0.859 0.024) 0.859 14.032 ( 0.000 -6.890 -5.093) 8.568 14.640 ( 0.000 2.288 1.686) 2.842 14.683 ( 0.000 1.503 0.514) 1.588 14.736 ( 0.000 0.519 0.460) 0.694 14.743 ( 0.000 -0.839 -0.264) 0.880 15.022 ( 0.000 1.884 19.255) 19.347 15.418 ( 0.000 -7.869 7.447) 10.834 16.014 ( 0.000 -13.106 0.579) 13.118 16.252 ( 0.000 -8.275 -7.510) 11.175 16.484 ( 0.000 2.184 2.906) 3.636 16.527 ( 0.000 0.497 0.122) 0.512 19.772 ( 0.000 6.334 -0.045) 6.334 19.867 ( 0.000 11.222 -7.882) 13.713 20.396 ( 0.000 -1.705 2.053) 2.669 20.510 ( 0.000 -6.089 -3.752) 7.152 21.568 ( 0.000 6.346 -0.753) 6.391 21.719 ( 0.000 -0.418 -5.438) 5.454 21.954 ( 0.000 12.679 4.953) 13.612 22.245 ( 0.000 1.936 -9.004) 9.209 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.11 0.20 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 8.974 -11.460 25.025) 28.950 1.331 ( 3.251 0.470 4.217) 5.345 1.382 ( 1.579 3.364 0.462) 3.745 1.428 ( -1.842 -0.871 -4.431) 4.877 1.507 ( 6.727 -1.259 2.750) 7.375 1.634 ( 1.475 2.619 -3.456) 4.580 1.824 ( 14.000 -2.651 0.109) 14.250 1.993 ( 10.158 -9.728 -7.862) 16.113 2.163 ( 6.486 -0.829 -15.874) 17.168 2.345 ( 8.716 17.200 11.549) 22.476 2.407 ( 11.475 5.188 -11.759) 17.229 2.486 ( 8.647 -1.420 -2.421) 9.091 2.582 ( 13.013 8.704 0.809) 15.677 2.742 ( 15.149 -0.520 2.850) 15.424 3.012 ( 1.371 -0.523 2.923) 3.271 3.141 ( 0.957 2.533 2.417) 3.630 3.180 ( -5.685 -4.527 6.658) 9.855 3.260 ( -6.918 -5.182 4.027) 9.536 3.369 ( -2.404 -3.886 1.188) 4.722 3.431 ( -1.571 -2.802 -2.038) 3.804 3.562 ( 0.985 -2.288 4.716) 5.334 3.773 ( -1.900 0.773 6.094) 6.430 3.838 ( -1.464 12.161 7.483) 14.354 3.961 ( -2.415 1.234 -7.863) 8.318 4.051 ( -3.235 -11.523 -8.936) 14.937 4.303 ( 1.083 3.248 -8.334) 9.010 4.354 ( 2.937 2.519 2.383) 4.545 4.531 ( 0.120 11.212 0.646) 11.232 4.543 ( -1.376 8.516 8.808) 12.329 4.695 ( -4.984 -3.427 0.390) 6.061 4.706 ( -1.661 -5.633 2.741) 6.481 4.749 ( -1.666 3.599 -0.569) 4.007 4.917 ( 0.001 -0.395 -8.167) 8.177 5.164 ( -5.220 -9.246 8.668) 13.707 5.283 ( 1.579 14.964 -12.925) 19.836 5.585 ( -4.278 -13.456 -3.494) 14.546 5.731 ( -2.192 -5.816 4.179) 7.489 5.793 ( -1.168 0.130 5.241) 5.371 5.902 ( -0.774 -7.654 3.415) 8.417 5.984 ( 1.300 -0.608 3.536) 3.816 6.049 ( -3.879 3.011 0.540) 4.940 6.134 ( 0.891 -7.759 2.594) 8.229 6.224 ( 1.644 -2.033 0.267) 2.628 6.494 ( 2.390 -4.031 2.052) 5.116 6.581 ( -3.815 -7.881 -5.338) 10.255 6.681 ( 0.254 -3.693 -10.149) 10.803 6.897 ( -3.746 3.508 2.598) 5.752 6.919 ( 1.520 9.126 -1.012) 9.307 7.111 ( 4.279 1.105 3.523) 5.652 7.151 ( 2.846 -2.623 2.295) 4.500 7.370 ( 8.092 -5.994 -0.743) 10.097 7.420 ( 6.281 3.131 1.447) 7.166 7.527 ( 7.433 -8.258 -3.506) 11.651 7.621 ( 10.123 -2.929 -5.250) 11.773 7.744 ( -1.787 -1.373 0.739) 2.372 7.821 ( 11.843 -6.787 -1.351) 13.717 8.010 ( 9.932 0.990 3.499) 10.577 8.205 ( 9.033 1.431 -1.567) 9.279 8.349 ( 10.919 7.167 -0.630) 13.076 8.358 ( 13.142 4.148 -5.552) 14.858 8.592 ( -11.367 7.863 1.847) 13.945 8.650 ( 3.137 7.742 -0.316) 8.359 8.831 ( 2.201 10.331 1.190) 10.630 8.999 ( -1.115 3.157 -1.618) 3.719 9.186 ( -11.080 2.230 0.614) 11.319 9.322 ( -4.525 3.843 -4.467) 7.430 9.680 ( -3.316 -8.479 1.318) 9.199 9.783 ( 2.573 -3.060 0.317) 4.011 10.092 ( 15.762 -0.716 0.342) 15.781 10.108 ( 0.268 -0.106 4.365) 4.374 10.383 ( 10.849 2.489 -4.000) 11.828 10.396 ( 3.778 2.027 -0.568) 4.325 11.067 ( -1.579 -4.460 -3.838) 6.092 11.118 ( 0.890 2.054 -2.760) 3.554 11.540 ( -19.744 -1.968 -1.740) 19.918 11.614 ( -14.930 -4.011 -0.551) 15.469 11.755 ( 0.113 2.648 5.870) 6.440 11.917 ( 3.725 7.061 -1.878) 8.201 12.087 ( 3.740 -8.390 1.516) 9.310 12.330 ( 3.305 -4.353 -3.509) 6.495 12.424 ( -1.066 2.061 -0.152) 2.325 12.529 ( -4.110 -1.131 -5.804) 7.201 12.771 ( 2.116 1.408 6.417) 6.902 12.916 ( 5.672 -2.722 0.483) 6.310 13.047 ( 0.116 2.985 -0.657) 3.059 13.100 ( 3.847 5.908 -2.735) 7.562 13.155 ( 4.671 1.021 -3.622) 5.998 13.215 ( 2.862 2.628 -4.984) 6.320 13.904 ( 3.042 0.113 2.184) 3.747 14.162 ( 11.904 -7.446 -8.651) 16.492 14.595 ( -2.640 1.805 1.742) 3.642 14.630 ( -4.409 1.342 1.802) 4.949 14.726 ( 1.087 0.251 0.601) 1.267 14.730 ( -1.320 -0.756 1.421) 2.082 15.087 ( 5.616 0.697 17.609) 18.496 15.400 ( -1.812 -8.429 8.833) 12.343 16.009 ( -0.723 -12.112 -2.309) 12.352 16.236 ( -2.025 -6.788 -6.010) 9.289 16.458 ( -3.042 1.103 2.869) 4.325 16.512 ( -1.422 -0.297 0.279) 1.479 19.209 ( -35.992 16.493 0.549) 39.595 19.606 ( -24.548 20.465 1.757) 32.008 20.596 ( 6.142 -23.511 -1.903) 24.375 20.659 ( 5.239 -20.401 -3.506) 21.353 21.408 ( -3.552 13.868 -5.346) 15.281 21.905 ( 6.086 25.374 -1.998) 26.170 22.067 ( 15.476 -7.706 -1.971) 17.401 22.393 ( 12.367 2.870 -4.254) 13.390 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.22 0.20 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -5.302 -2.809 -1.313) 6.142 1.316 ( 2.248 -5.649 4.610) 7.630 1.420 ( 0.769 -1.082 -3.366) 3.618 1.453 ( 3.875 0.580 2.780) 4.804 1.609 ( 9.600 -5.847 2.086) 11.432 1.844 ( 16.281 3.183 5.302) 17.416 2.107 ( 11.049 -1.179 -1.406) 11.200 2.214 ( 13.556 -11.474 -10.837) 20.806 2.397 ( 16.053 -0.748 -7.893) 17.904 2.529 ( 8.152 4.591 -3.702) 10.061 2.592 ( 7.232 1.717 -0.727) 7.468 2.701 ( 5.941 -1.503 -3.161) 6.895 2.910 ( 15.541 6.379 4.493) 17.390 2.937 ( 7.184 -2.833 3.179) 8.351 3.063 ( 1.105 1.795 7.767) 8.048 3.134 ( -3.943 -4.596 2.051) 6.393 3.180 ( 9.519 -0.268 5.484) 10.989 3.268 ( 6.139 1.815 2.716) 6.954 3.342 ( 8.574 -3.848 -3.628) 10.074 3.452 ( 8.495 -3.310 -4.456) 10.147 3.556 ( -2.701 -4.244 2.975) 5.844 3.725 ( -2.534 7.129 4.361) 8.733 3.826 ( -0.364 7.655 4.360) 8.818 3.921 ( -2.163 3.174 -1.120) 4.001 3.981 ( -1.272 2.291 -2.602) 3.693 4.264 ( -5.305 2.171 -4.124) 7.061 4.426 ( 3.549 0.224 4.247) 5.539 4.483 ( -2.553 5.482 5.644) 8.272 4.549 ( -6.654 -2.067 1.470) 7.121 4.574 ( -1.709 2.075 -0.349) 2.711 4.696 ( -3.155 7.222 0.290) 7.887 4.727 ( 2.766 -1.935 -1.060) 3.538 4.929 ( 1.351 4.650 -7.015) 8.524 5.053 ( -5.666 -4.646 6.637) 9.886 5.300 ( -0.677 6.942 -12.898) 14.663 5.474 ( -6.752 -3.829 -7.142) 10.548 5.695 ( -2.119 -4.784 4.129) 6.665 5.788 ( 2.436 -0.440 6.544) 6.997 5.899 ( -3.723 -2.145 2.603) 5.024 5.927 ( -3.550 0.731 1.772) 4.034 6.047 ( 1.246 -2.369 -0.931) 2.834 6.137 ( -1.777 -0.800 1.120) 2.248 6.269 ( 3.893 -7.883 3.637) 9.515 6.490 ( -4.193 -8.109 2.467) 9.457 6.549 ( 1.980 -6.516 -0.941) 6.875 6.651 ( -3.342 -1.841 -6.542) 7.573 6.844 ( -1.320 2.666 -2.918) 4.167 6.889 ( -4.423 5.467 -3.097) 7.684 7.084 ( -1.525 -0.725 3.467) 3.856 7.177 ( 0.648 2.122 2.504) 3.346 7.439 ( 0.643 -5.703 0.231) 5.744 7.502 ( 3.144 -2.352 0.967) 4.044 7.586 ( -0.081 -4.613 1.988) 5.024 7.690 ( 0.047 -6.560 -2.975) 7.203 7.763 ( 1.714 3.852 -0.643) 4.265 7.977 ( 3.633 -3.199 1.559) 5.086 8.126 ( -4.009 13.916 2.986) 14.787 8.268 ( -9.865 6.409 5.833) 13.131 8.285 ( -3.023 1.078 -1.526) 3.554 8.459 ( 1.569 2.363 -1.205) 3.081 8.646 ( -7.705 -3.820 -0.773) 8.635 8.744 ( -6.007 3.518 -0.044) 6.961 8.918 ( 16.711 7.391 0.996) 18.300 9.002 ( 12.586 4.282 -0.634) 13.310 9.216 ( 15.008 -1.630 -0.224) 15.098 9.559 ( -1.921 -3.084 3.498) 5.044 9.621 ( 8.080 -6.291 -8.235) 13.141 9.789 ( 15.799 -0.492 -11.757) 19.699 10.069 ( -4.068 0.463 7.110) 8.205 10.328 ( 2.014 -1.383 -2.829) 3.738 10.492 ( 10.717 -1.357 -2.638) 11.121 10.689 ( 16.148 5.247 -1.666) 17.060 11.062 ( 0.430 -1.944 -1.980) 2.808 11.097 ( -1.607 1.299 1.482) 2.543 11.218 ( -11.050 -1.494 -2.101) 11.347 11.358 ( -5.861 -1.161 -5.203) 7.922 11.801 ( 2.803 1.063 6.229) 6.913 12.035 ( 5.047 6.422 -2.875) 8.659 12.165 ( 4.754 -6.258 0.785) 7.898 12.351 ( -0.089 -0.020 -1.906) 1.908 12.395 ( -0.871 -1.320 -0.827) 1.785 12.507 ( 0.482 -1.923 -8.000) 8.242 12.777 ( -2.676 1.468 3.808) 4.880 12.939 ( -3.360 1.351 -2.578) 4.445 12.967 ( -6.201 1.459 -0.996) 6.448 13.107 ( -3.361 5.255 -6.576) 9.064 13.195 ( -2.237 1.562 -4.789) 5.512 13.243 ( -3.359 -2.508 -6.123) 7.420 14.007 ( 7.723 2.512 6.826) 10.609 14.336 ( 4.499 -2.016 -5.932) 7.713 14.599 ( 1.581 -2.521 5.251) 6.036 14.625 ( 7.000 1.853 3.601) 8.087 14.724 ( 1.621 -1.850 5.452) 5.981 14.868 ( 14.811 -0.624 -5.143) 15.691 15.208 ( 7.114 -0.563 15.651) 17.201 15.355 ( -2.688 -8.091 8.634) 12.134 15.976 ( -3.049 -10.114 -6.215) 12.256 16.158 ( -6.250 -4.734 -4.474) 9.027 16.361 ( -6.961 -0.277 3.315) 7.716 16.477 ( -2.311 -2.865 0.598) 3.729 18.622 ( -24.643 20.998 1.465) 32.409 19.135 ( -23.251 24.138 0.015) 33.515 20.551 ( -8.003 -31.688 -0.074) 32.684 20.581 ( -10.024 -32.157 -1.241) 33.706 21.491 ( 8.635 19.652 -6.531) 22.437 22.016 ( 5.840 25.360 -3.221) 26.222 22.363 ( 13.285 -7.669 -2.677) 15.571 22.635 ( 12.017 3.049 -0.522) 12.409 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.33 0.20 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -1.186 -3.123 0.422) 3.367 1.312 ( -0.746 -6.542 -5.504) 8.582 1.407 ( -0.952 4.428 -0.384) 4.545 1.518 ( 2.443 3.059 -2.383) 4.583 1.908 ( 17.947 -10.093 7.128) 21.789 2.184 ( 17.727 -3.423 3.195) 18.335 2.280 ( 9.624 -3.160 -2.127) 10.351 2.469 ( 10.766 -3.091 -6.655) 13.029 2.612 ( 0.569 -5.011 0.302) 5.052 2.638 ( 0.380 -2.753 -3.116) 4.175 2.674 ( 8.049 -9.623 -6.703) 14.224 2.724 ( -1.085 -1.720 -0.252) 2.049 2.836 ( -2.544 -4.942 -0.796) 5.615 3.016 ( -3.476 -8.580 -3.077) 9.755 3.154 ( 6.410 5.098 4.965) 9.578 3.258 ( -0.206 3.288 4.327) 5.438 3.323 ( 10.700 4.475 3.289) 12.056 3.426 ( 1.118 1.422 1.612) 2.423 3.515 ( 5.458 5.424 -2.557) 8.108 3.568 ( 16.401 -4.896 -2.694) 17.327 3.697 ( 0.694 2.386 2.768) 3.720 3.808 ( 7.137 1.760 -0.039) 7.351 3.828 ( 8.452 -3.887 -0.573) 9.320 3.908 ( 7.231 0.592 -0.249) 7.260 4.086 ( 11.907 19.506 7.511) 24.055 4.154 ( -4.635 3.917 2.772) 6.671 4.351 ( -12.049 -1.220 3.501) 12.607 4.410 ( -3.405 -1.068 3.581) 5.055 4.457 ( -7.054 -1.581 0.140) 7.231 4.529 ( -0.474 2.106 4.402) 4.903 4.665 ( 0.284 4.091 6.630) 7.796 4.790 ( 2.370 2.985 -3.807) 5.387 4.945 ( -1.040 6.207 0.622) 6.324 4.981 ( -0.713 2.920 -4.442) 5.363 5.210 ( -7.965 -3.133 -6.067) 10.491 5.378 ( -3.541 12.329 -16.801) 21.138 5.652 ( -1.610 -8.118 3.935) 9.164 5.753 ( -7.370 0.748 1.056) 7.483 5.844 ( -0.695 0.250 3.346) 3.427 5.926 ( 1.577 1.841 0.099) 2.426 6.037 ( -1.763 0.971 -3.220) 3.797 6.101 ( 0.722 3.480 3.059) 4.689 6.325 ( -8.903 -7.406 1.471) 11.674 6.398 ( 7.252 -8.299 2.152) 11.229 6.556 ( -3.929 4.469 0.311) 5.958 6.648 ( 0.641 -10.588 2.172) 10.828 6.743 ( -1.934 -5.668 -9.233) 11.005 6.899 ( 1.788 -3.815 0.022) 4.213 7.064 ( -1.703 1.983 4.258) 4.996 7.213 ( 3.131 8.076 3.591) 9.376 7.408 ( -3.372 -7.519 0.875) 8.287 7.516 ( -1.800 -5.888 4.367) 7.548 7.588 ( -0.014 -1.889 0.398) 1.931 7.672 ( -0.842 -1.621 -2.415) 3.028 7.789 ( 0.587 1.240 -2.803) 3.121 7.893 ( -11.662 11.733 1.459) 16.608 8.018 ( -0.126 -2.345 4.067) 4.696 8.130 ( -4.671 1.366 3.615) 6.063 8.276 ( -0.928 2.500 3.810) 4.650 8.416 ( -11.458 -3.413 0.104) 11.956 8.520 ( 4.871 1.944 -3.432) 6.268 8.621 ( -3.581 4.906 -2.388) 6.526 8.975 ( -4.986 -4.080 -0.344) 6.452 9.136 ( -5.306 -1.824 -5.844) 8.101 9.506 ( 5.582 -1.991 0.459) 5.944 9.538 ( 6.077 -1.065 0.232) 6.174 9.900 ( 28.370 7.715 6.673) 30.149 9.958 ( -6.055 1.056 5.495) 8.245 10.192 ( -4.306 -4.022 -5.392) 7.987 10.300 ( 14.484 -0.834 -11.250) 18.359 10.679 ( 5.764 -2.180 -0.837) 6.219 10.830 ( 1.607 0.884 -0.549) 1.914 11.132 ( 5.683 -2.129 0.142) 6.070 11.167 ( 7.473 -3.061 -1.162) 8.159 11.213 ( 10.859 4.537 1.236) 11.834 11.355 ( 2.363 2.532 -2.001) 4.000 11.845 ( 1.801 3.760 7.097) 8.231 12.066 ( -1.783 6.465 -0.642) 6.737 12.260 ( 4.941 -3.442 -1.633) 6.239 12.333 ( -1.242 1.114 0.289) 1.694 12.384 ( -0.205 -1.488 0.548) 1.599 12.556 ( 4.342 -1.729 -12.286) 13.145 12.673 ( -7.166 0.294 1.017) 7.244 12.793 ( -9.869 3.482 0.197) 10.468 12.858 ( -5.824 -2.016 -12.333) 13.787 13.000 ( -8.180 3.323 -9.032) 12.631 13.059 ( -11.860 -2.735 -8.324) 14.746 13.074 ( -10.447 0.405 -7.077) 12.624 14.173 ( 8.882 3.145 9.806) 13.599 14.417 ( 4.800 3.042 3.611) 6.733 14.657 ( 4.409 -4.140 9.503) 11.265 14.781 ( 3.352 -3.632 8.619) 9.936 14.844 ( 13.620 2.456 3.789) 14.349 15.167 ( 12.936 2.489 -3.719) 13.688 15.306 ( -1.637 -6.882 3.667) 7.968 15.376 ( 10.814 -1.212 12.473) 16.552 15.872 ( -8.546 -3.868 -6.925) 11.660 16.034 ( -5.241 -7.098 -5.826) 10.573 16.205 ( -9.112 -2.262 4.234) 10.299 16.427 ( -2.663 -5.083 1.065) 5.836 18.275 ( -12.317 19.027 -2.989) 22.862 18.761 ( -15.534 26.360 -0.393) 30.599 20.372 ( -9.022 -40.381 -0.545) 41.380 20.398 ( -8.232 -27.214 -0.018) 28.432 21.639 ( 6.060 17.680 -5.753) 19.555 22.116 ( 4.634 26.486 -0.863) 26.902 22.550 ( 6.514 -9.243 -2.626) 11.609 22.824 ( 7.639 2.748 0.901) 8.168 ======================= Grid point 103 (40/60) ======================= q-point: ( 0.44 0.20 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.166 -3.794 0.823) 3.886 1.304 ( -0.118 -7.505 -6.779) 10.114 1.392 ( -0.523 6.172 1.579) 6.392 1.553 ( 1.033 4.547 -3.624) 5.905 2.214 ( 13.092 -10.753 3.135) 17.229 2.345 ( 2.864 -12.536 -1.773) 12.981 2.491 ( -8.087 -7.478 3.596) 11.586 2.556 ( 5.014 0.643 0.641) 5.096 2.606 ( 2.644 -1.217 -1.682) 3.361 2.623 ( 7.535 -2.274 1.439) 8.001 2.700 ( 0.240 -0.161 0.245) 0.379 2.753 ( 0.671 -15.775 -4.266) 16.355 2.929 ( 3.365 -12.035 -2.515) 12.747 3.018 ( 5.603 -3.429 -9.821) 11.815 3.092 ( -8.984 1.999 -0.113) 9.204 3.270 ( -3.171 4.695 1.446) 5.847 3.364 ( 1.205 9.297 0.253) 9.378 3.426 ( -1.464 5.205 -1.085) 5.515 3.687 ( 9.698 0.425 4.453) 10.680 3.757 ( 7.349 2.986 1.564) 8.085 3.827 ( -0.917 -2.779 -0.995) 3.091 3.861 ( 12.623 -1.460 -3.262) 13.119 3.991 ( 8.166 2.290 4.434) 9.570 4.026 ( -12.510 2.514 5.259) 13.801 4.109 ( -2.258 -0.952 -0.184) 2.457 4.180 ( 5.147 3.152 3.785) 7.124 4.294 ( -3.875 1.325 3.362) 5.298 4.317 ( 3.415 6.331 2.310) 7.555 4.345 ( -3.357 -1.892 1.449) 4.116 4.488 ( -2.948 4.927 8.779) 10.490 4.712 ( 2.559 -1.050 8.757) 9.183 4.784 ( -1.310 -0.769 3.040) 3.398 4.937 ( -1.632 4.664 -3.017) 5.789 4.979 ( 3.202 10.957 -3.643) 11.983 5.098 ( -3.634 6.820 -7.079) 10.480 5.300 ( -3.823 17.041 -17.885) 24.998 5.631 ( -2.350 -8.433 4.203) 9.711 5.665 ( 0.091 -3.541 -3.328) 4.861 5.820 ( -0.376 -2.242 -1.861) 2.938 5.919 ( -1.323 5.836 0.292) 5.991 5.981 ( -3.479 4.722 -5.301) 7.906 6.159 ( -0.615 -1.508 4.154) 4.462 6.236 ( 5.665 0.786 0.404) 5.734 6.407 ( -9.331 7.307 0.188) 11.853 6.538 ( 3.460 -6.331 -3.566) 8.048 6.669 ( 4.572 -8.423 3.636) 10.250 6.765 ( -0.597 -9.051 0.505) 9.085 6.919 ( 0.637 -7.859 0.660) 7.913 7.015 ( -2.710 -3.051 6.175) 7.401 7.270 ( 1.988 10.315 4.864) 11.577 7.348 ( -1.963 -7.327 1.719) 7.778 7.457 ( -2.659 -0.692 4.207) 5.025 7.573 ( -1.059 -2.890 -0.525) 3.122 7.679 ( 0.946 -2.070 -4.547) 5.085 7.751 ( -2.803 6.034 4.228) 7.883 7.786 ( -1.080 1.472 -5.311) 5.616 8.034 ( 1.887 -2.798 4.303) 5.469 8.073 ( -1.424 -0.345 5.294) 5.493 8.184 ( -5.921 -1.186 3.745) 7.105 8.309 ( -1.438 0.349 -1.277) 1.955 8.598 ( 0.192 -0.530 -4.972) 5.003 8.656 ( 9.228 0.766 -3.717) 9.978 8.850 ( -6.932 -2.416 -0.461) 7.355 8.936 ( -10.247 -2.564 -2.726) 10.909 9.631 ( 6.916 1.584 0.419) 7.108 9.700 ( 5.761 2.002 -2.195) 6.482 9.861 ( -1.126 -1.009 2.518) 2.937 10.003 ( -10.767 -2.624 -4.316) 11.893 10.307 ( 11.701 3.504 0.896) 12.247 10.508 ( 4.608 7.101 -0.313) 8.471 10.756 ( 2.876 -8.346 -0.962) 8.880 10.873 ( 1.980 -2.060 -1.135) 3.075 11.237 ( 3.988 -4.180 2.212) 6.187 11.321 ( 6.274 -0.510 1.241) 6.416 11.361 ( 1.564 2.878 1.212) 3.493 11.425 ( 4.978 4.004 1.282) 6.516 11.862 ( -0.133 6.122 6.962) 9.272 11.996 ( -3.700 9.127 6.257) 11.668 12.302 ( -0.362 -2.340 -1.398) 2.750 12.379 ( 6.190 1.545 -2.450) 6.834 12.411 ( 3.305 1.713 -0.005) 3.723 12.535 ( -7.404 0.704 -2.074) 7.721 12.622 ( -3.006 -3.414 -1.807) 4.895 12.665 ( 3.349 0.010 -14.814) 15.188 12.743 ( -7.985 -1.176 -13.878) 16.055 12.780 ( -7.147 -0.371 -13.572) 15.343 12.872 ( -7.370 -0.961 -9.277) 11.887 12.946 ( -3.128 -0.085 -8.185) 8.762 14.311 ( 4.553 1.749 10.840) 11.887 14.486 ( 1.751 6.045 11.235) 12.878 14.748 ( 4.254 -3.975 11.375) 12.778 14.809 ( -0.588 -3.732 11.996) 12.577 15.068 ( 8.280 -0.622 -0.819) 8.344 15.293 ( 0.825 6.330 0.101) 6.384 15.306 ( 1.387 -7.296 -2.706) 7.904 15.586 ( 5.926 0.723 11.259) 12.744 15.718 ( -1.735 0.658 -4.445) 4.816 15.952 ( -5.687 1.119 -2.334) 6.249 16.053 ( -4.286 -12.289 -0.786) 13.038 16.388 ( -1.204 -6.190 1.702) 6.531 18.132 ( -3.369 16.044 -6.893) 17.784 18.559 ( -5.448 27.564 0.365) 28.100 20.250 ( -3.351 -40.674 -0.574) 40.816 20.285 ( -3.202 -28.682 0.022) 28.860 21.714 ( 1.951 16.793 -5.245) 17.701 22.183 ( 2.015 28.995 1.616) 29.110 22.623 ( 1.648 -11.619 -3.305) 12.192 22.921 ( 2.500 2.526 1.183) 3.746 ======================= Grid point 108 (41/60) ======================= q-point: ( 0.00 0.40 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 0.000 13.880 4.482) 14.586 1.310 ( 0.000 7.316 10.596) 12.876 1.394 ( 0.000 -1.320 8.616) 8.716 1.417 ( 0.000 -9.547 2.639) 9.905 1.459 ( 0.000 0.002 -4.880) 4.880 1.556 ( 0.000 -18.430 -14.204) 23.268 1.630 ( 0.000 0.452 -5.252) 5.271 1.682 ( 0.000 -3.903 -11.713) 12.346 2.148 ( 0.000 2.558 -12.889) 13.140 2.210 ( 0.000 -1.601 -14.084) 14.175 2.412 ( 0.000 1.171 -1.099) 1.606 2.419 ( 0.000 0.405 -1.402) 1.459 2.700 ( 0.000 11.652 -0.778) 11.678 2.772 ( 0.000 10.331 -4.857) 11.416 3.122 ( 0.000 12.129 7.632) 14.331 3.154 ( 0.000 -1.031 6.645) 6.724 3.184 ( 0.000 -2.338 13.037) 13.245 3.290 ( 0.000 -0.535 0.642) 0.836 3.384 ( 0.000 1.242 1.353) 1.837 3.458 ( 0.000 -5.370 2.090) 5.763 3.511 ( 0.000 7.243 0.825) 7.289 3.766 ( 0.000 0.826 5.595) 5.655 3.788 ( 0.000 -17.955 -9.710) 20.413 3.846 ( 0.000 -6.992 2.142) 7.312 4.100 ( 0.000 9.970 6.866) 12.105 4.256 ( 0.000 -7.114 2.179) 7.440 4.448 ( 0.000 5.521 3.431) 6.501 4.522 ( 0.000 -6.016 1.496) 6.200 4.633 ( 0.000 5.413 -0.464) 5.433 4.717 ( 0.000 -3.729 0.675) 3.789 4.772 ( 0.000 -0.307 -6.184) 6.191 4.801 ( 0.000 -4.074 -6.433) 7.614 4.991 ( 0.000 18.256 15.720) 24.091 5.124 ( 0.000 0.047 5.010) 5.010 5.368 ( 0.000 -9.134 -2.982) 9.608 5.436 ( 0.000 -5.849 6.295) 8.593 5.707 ( 0.000 3.998 0.129) 4.000 5.720 ( 0.000 -3.678 2.437) 4.412 5.791 ( 0.000 -8.619 5.631) 10.295 5.855 ( 0.000 -4.552 1.245) 4.719 6.138 ( 0.000 11.467 -6.511) 13.187 6.165 ( 0.000 5.190 1.655) 5.448 6.305 ( 0.000 -7.135 0.791) 7.179 6.328 ( 0.000 7.634 -5.077) 9.168 6.402 ( 0.000 -13.811 -11.874) 18.213 6.511 ( 0.000 -9.946 -9.874) 14.015 6.935 ( 0.000 0.434 1.462) 1.525 6.959 ( 0.000 -1.858 0.700) 1.985 7.076 ( 0.000 7.159 -0.772) 7.200 7.112 ( 0.000 2.423 -2.243) 3.302 7.122 ( 0.000 2.477 2.396) 3.446 7.239 ( 0.000 -9.730 -3.452) 10.324 7.381 ( 0.000 2.416 0.407) 2.450 7.430 ( 0.000 -2.972 -1.994) 3.579 7.765 ( 0.000 1.970 4.050) 4.504 7.801 ( 0.000 -1.239 5.435) 5.575 7.970 ( 0.000 2.958 -1.519) 3.325 8.012 ( 0.000 -1.414 -1.677) 2.194 8.317 ( 0.000 1.043 2.412) 2.628 8.335 ( 0.000 -1.106 1.332) 1.731 8.874 ( 0.000 11.332 4.582) 12.223 8.981 ( 0.000 6.391 2.214) 6.763 9.008 ( 0.000 5.233 -0.554) 5.262 9.032 ( 0.000 10.092 0.965) 10.138 9.344 ( 0.000 -5.877 3.594) 6.889 9.418 ( 0.000 -11.111 0.526) 11.123 9.657 ( 0.000 3.861 2.763) 4.748 9.675 ( 0.000 1.519 3.018) 3.379 9.897 ( 0.000 4.136 -1.230) 4.315 10.021 ( 0.000 -7.475 -6.449) 9.872 10.310 ( 0.000 4.442 -1.156) 4.590 10.405 ( 0.000 -2.331 -5.651) 6.113 11.050 ( 0.000 1.158 -3.244) 3.444 11.099 ( 0.000 -2.078 -3.144) 3.769 11.695 ( 0.000 0.508 1.168) 1.274 11.716 ( 0.000 -1.747 -0.216) 1.760 11.815 ( 0.000 2.270 3.198) 3.922 11.890 ( 0.000 -5.541 -0.606) 5.574 12.150 ( 0.000 0.977 -4.054) 4.170 12.159 ( 0.000 0.111 -4.459) 4.460 12.465 ( 0.000 3.508 -3.738) 5.127 12.552 ( 0.000 -5.938 -7.795) 9.800 12.762 ( 0.000 0.681 7.935) 7.964 12.769 ( 0.000 -0.189 7.954) 7.956 13.005 ( 0.000 2.048 -1.985) 2.852 13.038 ( 0.000 -1.421 -3.055) 3.370 13.235 ( 0.000 4.876 -0.935) 4.964 13.268 ( 0.000 1.344 -2.227) 2.602 13.870 ( 0.000 0.413 -0.168) 0.446 13.914 ( 0.000 -4.717 -1.010) 4.824 14.683 ( 0.000 2.127 0.919) 2.318 14.710 ( 0.000 0.313 1.141) 1.183 14.725 ( 0.000 -0.223 -0.779) 0.810 14.739 ( 0.000 -0.422 -0.096) 0.433 15.084 ( 0.000 5.116 21.245) 21.852 15.225 ( 0.000 -10.209 21.237) 23.563 15.944 ( 0.000 3.719 -8.186) 8.991 16.078 ( 0.000 -9.409 -10.050) 13.767 16.512 ( 0.000 1.126 3.482) 3.659 16.527 ( 0.000 -0.480 2.459) 2.505 19.912 ( 0.000 7.488 -3.104) 8.106 19.988 ( 0.000 0.898 -8.449) 8.497 20.365 ( 0.000 -0.939 1.031) 1.395 20.395 ( 0.000 -4.759 -0.102) 4.761 21.662 ( 0.000 3.569 -4.782) 5.967 21.705 ( 0.000 -1.308 -5.630) 5.780 22.174 ( 0.000 8.775 -2.086) 9.019 22.261 ( 0.000 -1.110 -5.541) 5.651 ======================= Grid point 109 (42/60) ======================= q-point: ( 0.11 0.40 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 7.303 11.194 4.079) 13.975 1.326 ( -6.414 -0.599 -3.527) 7.344 1.376 ( -3.680 -2.756 -0.824) 4.671 1.446 ( 3.040 -0.877 -2.965) 4.336 1.507 ( 5.576 -0.543 0.582) 5.632 1.581 ( 4.423 -17.711 -8.566) 20.165 1.739 ( 11.189 0.897 -6.481) 12.962 1.795 ( 16.612 -2.668 -2.718) 17.043 2.227 ( 9.154 7.139 -7.240) 13.682 2.369 ( 13.179 -6.200 -8.406) 16.816 2.499 ( 7.098 2.954 -3.872) 8.609 2.521 ( 8.261 0.717 -3.315) 8.931 2.761 ( 6.701 9.704 2.152) 11.987 2.881 ( 10.462 1.674 -3.800) 11.256 3.051 ( -7.750 3.508 9.713) 12.911 3.107 ( -5.408 -4.233 7.015) 9.817 3.152 ( -0.111 7.297 6.412) 9.715 3.278 ( -1.148 0.914 0.613) 1.590 3.300 ( -5.106 0.000 0.064) 5.106 3.386 ( 0.264 -3.013 -5.413) 6.200 3.543 ( -1.201 4.243 2.614) 5.126 3.745 ( -2.435 -11.487 -3.125) 12.151 3.865 ( 6.912 3.670 4.539) 9.047 3.973 ( 9.621 -1.855 1.275) 9.881 4.086 ( -0.850 10.239 5.379) 11.597 4.268 ( 1.719 -8.436 3.097) 9.149 4.419 ( -1.890 3.091 4.600) 5.855 4.491 ( -2.605 -8.188 2.306) 8.896 4.624 ( -1.485 2.503 -0.165) 2.915 4.651 ( -5.267 -2.023 0.291) 5.650 4.786 ( 0.597 2.188 -2.480) 3.360 4.833 ( 2.168 2.538 -5.468) 6.406 4.929 ( -3.908 11.202 7.516) 14.045 5.109 ( -2.080 1.160 8.408) 8.739 5.300 ( -5.705 -8.098 -2.267) 10.162 5.421 ( -2.154 -9.904 8.516) 13.238 5.716 ( 1.907 7.905 -2.666) 8.558 5.760 ( 3.162 -3.846 3.535) 6.106 5.806 ( 1.807 -4.277 2.687) 5.365 5.864 ( 1.487 -4.881 1.284) 5.262 6.121 ( -0.752 6.150 -2.553) 6.701 6.154 ( -1.725 6.990 0.347) 7.208 6.293 ( -1.644 8.022 -7.121) 10.852 6.350 ( 1.254 -9.240 -3.144) 9.841 6.407 ( -1.771 -9.834 -3.939) 10.740 6.528 ( -0.825 -11.969 -9.581) 15.353 6.956 ( -0.543 3.188 3.997) 5.141 7.010 ( -0.928 -2.434 2.818) 3.837 7.101 ( 1.762 6.039 -2.757) 6.868 7.192 ( 1.897 -1.527 -2.836) 3.738 7.313 ( 8.483 -0.376 -1.817) 8.684 7.345 ( 5.409 -4.586 0.858) 7.144 7.510 ( 12.622 4.598 1.018) 13.473 7.582 ( 12.318 -2.541 -2.252) 12.778 7.741 ( 0.780 -0.249 1.733) 1.916 7.755 ( 9.091 -1.928 0.116) 9.294 8.063 ( 11.365 4.463 0.078) 12.210 8.148 ( 14.594 -4.272 -2.472) 15.406 8.372 ( 6.270 0.193 1.088) 6.367 8.393 ( 4.248 -1.471 2.166) 4.990 8.790 ( -14.302 8.778 2.179) 16.922 8.849 ( -6.488 7.129 -0.934) 9.684 8.991 ( -0.469 5.570 1.306) 5.740 9.047 ( 0.200 4.211 3.645) 5.573 9.240 ( -4.473 2.464 1.899) 5.448 9.338 ( -4.119 -5.122 -2.253) 6.948 9.564 ( -4.977 0.866 5.030) 7.129 9.678 ( -1.998 -7.698 1.659) 8.124 10.107 ( 12.155 2.124 -2.947) 12.686 10.137 ( 9.390 0.657 -4.622) 10.486 10.347 ( 5.059 2.253 -0.391) 5.552 10.444 ( 5.298 -4.015 -4.457) 8.003 11.043 ( 0.592 3.288 -1.264) 3.572 11.120 ( 2.004 -2.633 -1.863) 3.797 11.515 ( -18.101 -0.359 -1.252) 18.148 11.540 ( -15.750 -3.167 0.991) 16.096 11.832 ( 1.500 5.208 2.894) 6.144 11.943 ( 3.720 -6.842 0.920) 7.843 12.061 ( 2.526 8.221 -7.725) 11.560 12.213 ( 2.758 -7.791 -8.360) 11.755 12.460 ( -2.510 1.918 -0.756) 3.248 12.496 ( -2.797 -1.961 -3.150) 4.646 12.813 ( 3.804 2.738 5.793) 7.452 12.865 ( 5.516 -2.759 4.160) 7.439 13.103 ( 5.111 2.810 -3.829) 6.977 13.142 ( 6.900 -1.107 -5.758) 9.055 13.218 ( -0.755 4.260 -0.820) 4.403 13.252 ( -1.638 0.571 -2.096) 2.721 13.924 ( 6.063 2.572 1.486) 6.752 14.014 ( 10.335 -7.146 -1.722) 12.683 14.636 ( -2.525 2.409 1.537) 3.813 14.663 ( -4.120 1.145 2.829) 5.127 14.698 ( -1.789 -0.850 -0.111) 1.983 14.724 ( -1.725 -1.547 0.489) 2.368 15.116 ( 3.298 2.921 19.084) 19.585 15.217 ( -0.377 -8.460 19.924) 21.649 15.947 ( -0.248 3.657 -8.101) 8.892 16.077 ( -0.638 -9.089 -8.864) 12.712 16.478 ( -3.570 1.104 3.346) 5.016 16.498 ( -3.084 -0.973 2.562) 4.126 19.579 ( -23.745 22.748 -6.182) 33.459 19.942 ( -12.531 2.989 -1.974) 13.033 20.134 ( -15.502 -10.738 -0.857) 18.878 20.356 ( -9.047 -16.023 0.565) 18.409 21.675 ( 6.284 13.617 -6.145) 16.207 21.897 ( 12.002 -10.458 -4.733) 16.608 22.261 ( 9.323 12.854 -2.870) 16.136 22.400 ( 11.689 -2.834 -2.584) 12.302 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.22 0.40 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -5.095 0.426 -5.121) 7.236 1.229 ( -1.269 -2.819 -4.050) 5.094 1.408 ( 10.014 4.777 2.276) 11.327 1.487 ( 1.757 1.233 -3.002) 3.690 1.572 ( 5.705 0.280 -2.828) 6.374 1.758 ( 12.599 -19.739 -4.130) 23.779 2.006 ( 13.420 5.519 -9.395) 17.286 2.117 ( 13.893 -3.705 -8.342) 16.623 2.440 ( 10.543 5.948 0.959) 12.143 2.560 ( 4.755 -3.453 -0.777) 5.927 2.647 ( 3.726 3.205 -4.713) 6.809 2.680 ( 9.691 -0.491 -4.711) 10.787 2.848 ( -2.727 -4.082 6.806) 8.392 2.868 ( -7.890 -5.325 4.370) 10.474 3.086 ( 8.147 0.378 4.789) 9.458 3.105 ( 9.983 -1.094 1.990) 10.238 3.215 ( 7.941 3.220 0.809) 8.607 3.260 ( 3.877 -2.373 -2.786) 5.331 3.408 ( 14.270 4.152 -1.717) 14.960 3.447 ( 5.327 3.669 -6.632) 9.264 3.494 ( -2.744 0.989 1.532) 3.294 3.678 ( -3.536 -11.438 -2.557) 12.242 3.969 ( 0.833 11.893 2.454) 12.172 4.056 ( -1.788 9.092 3.920) 10.061 4.151 ( 9.285 7.465 3.932) 12.546 4.288 ( -0.649 1.677 5.020) 5.333 4.418 ( 1.704 -2.014 8.544) 8.942 4.505 ( 3.417 -11.427 3.895) 12.547 4.543 ( -4.643 0.322 0.776) 4.719 4.564 ( -4.775 0.154 0.453) 4.799 4.739 ( -3.667 10.495 10.357) 15.194 4.864 ( 1.745 9.282 -8.970) 13.026 4.926 ( 0.753 -5.498 -1.465) 5.739 5.056 ( -1.729 -0.691 5.041) 5.374 5.183 ( -6.594 -4.710 -1.027) 8.168 5.365 ( -2.439 -13.280 10.061) 16.838 5.737 ( -1.639 9.187 -5.146) 10.657 5.824 ( 1.893 1.479 -0.178) 2.409 5.844 ( 4.375 -1.079 1.451) 4.734 5.939 ( 5.883 -6.487 1.032) 8.818 6.079 ( -4.013 8.283 -1.922) 9.402 6.142 ( 1.167 2.090 0.549) 2.455 6.223 ( -6.058 5.215 -1.812) 8.196 6.334 ( -3.504 -7.552 0.703) 8.355 6.403 ( 3.550 -6.814 -2.862) 8.199 6.511 ( 0.562 -12.566 -13.351) 18.343 6.882 ( -8.292 1.763 1.719) 8.649 6.916 ( -8.834 -1.638 1.185) 9.063 7.123 ( 1.118 5.003 -0.882) 5.202 7.206 ( 2.318 -1.497 -1.624) 3.202 7.364 ( -0.728 -0.896 1.898) 2.222 7.408 ( 1.827 -4.500 2.997) 5.707 7.578 ( 0.892 1.563 -0.318) 1.828 7.610 ( -0.279 -2.277 -1.473) 2.726 7.856 ( 2.802 5.011 2.182) 6.142 7.930 ( 3.840 -2.922 2.212) 5.309 8.304 ( 1.008 7.080 -1.062) 7.230 8.339 ( 1.592 3.653 5.031) 6.418 8.423 ( -11.430 2.688 2.354) 11.976 8.456 ( -3.002 -1.117 1.088) 3.383 8.566 ( -3.210 1.431 -3.199) 4.752 8.723 ( -3.738 -7.872 -3.750) 9.487 9.030 ( -1.686 6.775 1.829) 7.218 9.099 ( 7.048 1.819 0.467) 7.294 9.256 ( 11.612 6.372 -0.513) 13.256 9.425 ( 3.607 -10.124 -3.493) 11.301 9.606 ( 14.982 4.608 5.315) 16.551 9.721 ( 16.821 -6.149 -1.853) 18.005 10.127 ( -4.258 5.686 -1.354) 7.232 10.251 ( -2.831 -6.498 -5.827) 9.175 10.536 ( 13.837 5.722 -1.109) 15.014 10.668 ( 14.111 -6.764 0.418) 15.654 11.093 ( -1.302 4.333 1.610) 4.802 11.128 ( -1.474 1.102 1.480) 2.361 11.204 ( -9.452 1.173 -2.311) 9.801 11.290 ( -1.558 -5.685 -2.307) 6.329 11.885 ( 3.916 7.024 1.943) 8.273 12.026 ( 4.926 -7.585 -0.816) 9.081 12.172 ( 6.016 7.205 -7.699) 12.140 12.298 ( 4.702 -5.575 -8.278) 11.033 12.403 ( -2.633 1.888 -0.194) 3.246 12.451 ( -1.511 -3.197 -3.791) 5.184 12.831 ( -2.825 3.633 1.262) 4.772 12.896 ( -2.559 -3.192 -1.394) 4.322 13.066 ( -7.138 6.009 -1.713) 9.486 13.169 ( -5.843 -4.866 -4.523) 8.847 13.192 ( -3.613 3.334 -5.416) 7.314 13.220 ( -3.206 0.213 -4.042) 5.163 14.094 ( 10.570 6.917 4.633) 13.455 14.243 ( 11.202 -7.850 -1.388) 13.749 14.589 ( -1.617 1.879 6.361) 6.827 14.645 ( 0.952 -2.494 4.325) 5.082 14.705 ( 6.737 3.086 3.393) 8.150 14.803 ( 12.291 -5.980 -2.534) 13.902 15.198 ( 5.222 -0.278 15.714) 16.561 15.220 ( 0.753 -3.876 16.380) 16.849 15.915 ( -3.227 2.918 -8.199) 9.282 16.031 ( -4.525 -8.063 -7.399) 11.842 16.376 ( -7.034 1.434 3.286) 7.895 16.413 ( -5.629 -2.749 2.616) 6.789 19.137 ( -21.119 32.890 -6.004) 39.545 19.609 ( -18.958 21.072 1.282) 28.374 19.836 ( -15.469 -33.174 -3.222) 36.745 20.116 ( -14.331 -24.878 1.325) 28.741 21.836 ( 8.968 16.806 -6.358) 20.082 22.102 ( 9.519 -11.358 -5.492) 15.804 22.462 ( 9.895 13.526 -0.222) 16.761 22.628 ( 11.157 -4.284 0.463) 11.960 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.33 0.40 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -1.312 0.626 -3.541) 3.828 1.194 ( -1.315 -5.326 -6.149) 8.240 1.497 ( 0.981 4.901 -0.150) 5.001 1.547 ( 3.272 -0.146 -0.844) 3.382 1.812 ( 15.754 1.728 3.471) 16.224 1.997 ( 10.281 -15.077 0.324) 18.251 2.251 ( 12.405 0.487 -12.492) 17.612 2.331 ( 9.640 -7.228 -16.024) 20.049 2.551 ( 0.631 1.755 3.391) 3.870 2.586 ( 0.085 0.060 -0.019) 0.106 2.652 ( -1.374 1.089 -3.015) 3.488 2.725 ( -3.713 -4.708 -2.101) 6.353 2.735 ( -1.548 0.519 1.230) 2.044 2.831 ( -0.192 -8.974 -1.481) 9.097 3.257 ( 8.798 4.441 5.819) 11.445 3.299 ( 4.146 0.307 4.845) 6.384 3.405 ( 5.531 4.096 0.788) 6.927 3.438 ( 5.414 1.123 1.213) 5.660 3.494 ( 16.633 -1.670 -3.173) 17.016 3.542 ( 3.053 -4.758 -5.161) 7.654 3.689 ( 9.497 -0.271 -0.872) 9.541 3.735 ( 13.590 -4.219 -2.763) 14.495 3.911 ( -3.305 7.547 0.215) 8.241 3.986 ( -5.562 2.233 -0.701) 6.035 4.246 ( 2.328 7.195 9.123) 11.850 4.335 ( -9.321 -0.658 4.262) 10.270 4.365 ( 0.756 2.648 4.020) 4.873 4.434 ( -4.033 -2.359 4.515) 6.497 4.475 ( -6.259 9.664 2.691) 11.824 4.595 ( 6.964 1.369 8.102) 10.771 4.732 ( -0.621 7.292 11.733) 13.828 4.839 ( -4.303 2.075 4.650) 6.667 4.965 ( 4.815 -2.228 -6.924) 8.724 5.052 ( -0.673 -9.629 -6.377) 11.568 5.116 ( 3.634 10.251 1.519) 10.981 5.370 ( 2.628 -15.344 6.541) 16.885 5.653 ( -5.737 10.684 -7.429) 14.221 5.805 ( -2.640 -3.782 -0.457) 4.635 5.961 ( -4.976 9.357 -4.414) 11.480 5.977 ( 2.509 6.434 -1.613) 7.092 6.040 ( 3.436 -1.121 -1.363) 3.863 6.148 ( 0.419 1.332 0.426) 1.460 6.184 ( 0.150 -4.106 2.256) 4.687 6.275 ( 2.167 -4.657 3.445) 6.185 6.484 ( 3.023 -2.769 -3.502) 5.392 6.567 ( 5.186 -7.945 -9.151) 13.182 6.673 ( -10.417 1.125 -0.766) 10.506 6.766 ( -5.949 -8.705 -1.745) 10.687 7.090 ( -6.068 3.812 3.485) 7.969 7.226 ( -3.192 -8.859 1.399) 9.520 7.360 ( 2.472 5.114 4.585) 7.300 7.437 ( 1.737 -3.115 3.924) 5.303 7.589 ( 0.193 1.672 -1.453) 2.223 7.628 ( 1.578 -2.190 -2.052) 3.390 7.863 ( -1.244 4.985 1.192) 5.275 7.949 ( -2.216 -4.234 2.565) 5.423 8.106 ( -12.403 9.481 0.595) 15.623 8.187 ( -8.044 2.595 -1.665) 8.615 8.306 ( -8.006 -0.478 4.510) 9.201 8.352 ( -6.706 -3.061 2.629) 7.826 8.547 ( 3.095 3.647 -0.906) 4.868 8.649 ( -3.210 -4.376 -3.964) 6.721 8.949 ( -6.305 3.591 1.440) 7.397 9.058 ( -8.743 -6.199 -2.817) 11.081 9.495 ( 10.413 0.932 0.828) 10.487 9.519 ( 9.266 -1.235 1.049) 9.407 10.000 ( -2.748 4.146 1.806) 5.292 10.073 ( 20.618 9.062 -1.116) 22.550 10.099 ( -2.519 -5.361 -2.402) 6.392 10.229 ( 18.347 -6.600 -6.246) 20.474 10.704 ( 2.484 4.316 0.802) 5.044 10.796 ( 0.243 -4.290 1.830) 4.671 11.090 ( 5.779 -1.377 -0.261) 5.947 11.101 ( 6.083 -2.514 -0.512) 6.602 11.317 ( 9.831 5.031 1.275) 11.117 11.375 ( 5.771 -0.962 1.212) 5.975 11.965 ( 4.086 8.389 1.940) 9.530 12.115 ( 3.736 -5.987 -3.837) 8.033 12.253 ( 3.608 6.611 -1.983) 7.789 12.346 ( 1.297 -2.261 -0.653) 2.687 12.372 ( -0.908 2.696 -0.667) 2.922 12.467 ( 2.262 -6.443 -7.512) 10.152 12.728 ( -6.382 4.007 -5.145) 9.125 12.800 ( -6.388 -3.370 -8.243) 10.959 12.875 ( -11.721 4.342 -3.867) 13.084 12.964 ( -14.574 -5.087 -6.397) 16.709 13.066 ( -8.778 2.138 -5.958) 10.822 13.086 ( -9.711 0.035 -6.940) 11.936 14.283 ( 8.970 8.452 8.354) 14.889 14.431 ( 9.478 -4.519 5.000) 11.630 14.599 ( 1.845 0.706 10.203) 10.393 14.679 ( 2.581 -6.168 7.984) 10.414 14.928 ( 12.368 6.566 2.338) 14.196 15.087 ( 11.022 -10.085 -4.598) 15.631 15.276 ( 7.750 3.840 10.678) 13.742 15.341 ( 10.864 -2.716 11.857) 16.309 15.828 ( -5.582 1.176 -8.324) 10.091 15.911 ( -7.338 -6.372 -5.708) 11.271 16.221 ( -8.912 2.555 3.252) 9.825 16.297 ( -6.112 -6.127 2.270) 8.947 18.810 ( -12.957 36.327 -6.270) 39.075 19.292 ( -13.566 27.998 1.519) 31.149 19.574 ( -11.332 -41.313 -3.558) 42.987 19.863 ( -11.318 -29.802 1.389) 31.909 21.981 ( 5.967 17.549 -6.152) 19.530 22.261 ( 7.164 -11.512 -5.474) 14.622 22.602 ( 4.680 14.780 2.103) 15.645 22.801 ( 6.761 -5.808 2.204) 9.181 ======================= Grid point 112 (45/60) ======================= q-point: ( 0.44 0.40 0.33) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -0.000 0.562 -2.613) 2.672 1.182 ( -0.165 -5.082 -5.522) 7.506 1.507 ( 0.195 6.344 0.777) 6.394 1.592 ( 1.340 -1.287 -0.141) 1.863 2.063 ( 9.429 -3.712 -0.181) 10.135 2.114 ( 2.693 -9.355 -2.985) 10.182 2.336 ( -3.983 -4.237 -3.016) 6.550 2.420 ( 0.187 -13.048 -5.111) 14.015 2.609 ( 2.591 4.406 -1.484) 5.323 2.632 ( 4.468 1.764 -2.143) 5.260 2.638 ( -0.173 0.995 -4.544) 4.654 2.701 ( 2.955 -0.559 -1.748) 3.479 2.759 ( 1.461 -4.656 -1.504) 5.107 2.851 ( 3.917 -9.743 -7.599) 12.963 3.211 ( -5.868 7.923 0.091) 9.860 3.323 ( -4.390 -1.939 1.421) 5.005 3.484 ( 2.266 3.691 1.136) 4.477 3.538 ( 8.635 1.528 0.867) 8.812 3.690 ( 1.236 4.450 4.245) 6.273 3.765 ( 3.919 -2.748 -0.820) 4.856 3.831 ( 6.156 1.228 -1.454) 6.443 3.838 ( 9.789 0.208 0.100) 9.792 3.977 ( 5.139 1.505 1.445) 5.547 4.044 ( 8.662 -5.010 -0.056) 10.007 4.134 ( -7.027 3.698 2.035) 8.197 4.166 ( -8.549 -1.114 0.236) 8.625 4.259 ( -9.863 -0.688 1.909) 10.069 4.323 ( -5.211 -3.434 3.353) 7.085 4.500 ( 3.575 10.307 11.479) 15.836 4.640 ( -1.666 2.733 12.850) 13.243 4.671 ( -0.665 0.420 10.361) 10.390 4.765 ( -5.437 -2.420 8.531) 10.402 5.061 ( 6.395 8.301 -5.212) 11.703 5.161 ( 6.071 1.016 -9.361) 11.204 5.193 ( 2.594 8.794 -1.731) 9.331 5.400 ( -0.859 -11.248 0.370) 11.287 5.585 ( -0.359 10.980 -6.388) 12.708 5.755 ( -1.749 -5.868 -1.268) 6.253 5.856 ( -2.491 17.186 -6.630) 18.588 5.964 ( -4.655 3.681 0.296) 5.941 6.034 ( -1.248 -2.754 -1.700) 3.469 6.172 ( 1.388 -8.332 -4.163) 9.417 6.199 ( 1.577 7.851 1.539) 8.154 6.392 ( -0.689 -9.887 1.170) 9.980 6.500 ( 5.743 2.834 -1.723) 6.632 6.622 ( 3.701 0.596 2.609) 4.567 6.677 ( 5.828 -1.074 -1.982) 6.249 6.702 ( -0.840 -13.446 -1.080) 13.515 6.894 ( -13.238 1.086 4.401) 13.992 7.125 ( -4.715 -15.434 1.497) 16.207 7.416 ( 1.977 5.452 6.487) 8.702 7.468 ( 1.042 -0.010 4.655) 4.770 7.592 ( 0.169 4.142 -2.023) 4.613 7.655 ( 1.036 -1.900 -1.925) 2.896 7.824 ( -2.048 2.234 -2.331) 3.823 7.839 ( -5.035 1.501 1.419) 5.442 8.015 ( -0.577 3.144 1.279) 3.442 8.096 ( -1.083 -2.080 0.046) 2.346 8.158 ( -5.439 2.119 4.540) 7.395 8.254 ( -3.239 -5.606 0.115) 6.476 8.608 ( 0.624 1.953 -2.503) 3.236 8.651 ( 4.980 -1.838 -2.435) 5.840 8.830 ( -6.020 0.968 0.537) 6.121 8.876 ( -7.048 -3.373 -0.638) 7.840 9.678 ( 8.876 3.182 0.219) 9.432 9.722 ( 10.374 -0.665 -0.964) 10.440 9.864 ( -7.394 2.065 0.616) 7.702 9.933 ( -9.937 -4.496 -2.728) 11.243 10.405 ( 8.572 6.631 -1.908) 11.004 10.538 ( 10.153 -6.659 -2.096) 12.321 10.712 ( -0.463 5.991 2.051) 6.349 10.817 ( 1.673 -4.190 0.670) 4.561 11.195 ( 3.887 0.409 1.483) 4.180 11.253 ( 6.115 -4.954 0.844) 7.915 11.425 ( 1.476 3.159 3.435) 4.895 11.461 ( 2.356 -0.315 2.729) 3.619 12.030 ( 2.595 10.482 1.323) 10.880 12.172 ( 3.305 1.479 -2.971) 4.684 12.259 ( -5.076 4.182 2.793) 7.145 12.410 ( 8.344 0.812 -1.168) 8.464 12.425 ( 3.676 -1.696 -1.995) 4.513 12.456 ( -0.937 -6.508 0.992) 6.649 12.616 ( -11.364 1.518 -3.247) 11.916 12.647 ( -7.635 -1.873 -9.230) 12.124 12.739 ( -0.365 1.313 -12.229) 12.305 12.769 ( 0.569 -1.246 -14.341) 14.406 12.878 ( -9.898 1.456 -9.488) 13.788 12.917 ( -6.912 -2.406 -8.820) 11.462 14.416 ( 4.225 9.305 10.979) 14.999 14.584 ( 5.129 0.737 11.102) 12.251 14.634 ( 1.733 -5.348 13.193) 14.341 14.706 ( -0.294 -5.710 11.563) 12.900 15.090 ( 4.642 3.104 -2.736) 6.218 15.176 ( 1.795 -6.006 -4.606) 7.778 15.443 ( 4.339 8.695 2.968) 10.160 15.564 ( 8.549 -3.456 8.253) 12.375 15.734 ( -2.602 1.515 -4.645) 5.536 15.817 ( -1.005 -7.826 -3.904) 8.804 16.058 ( -7.028 5.303 2.620) 9.186 16.200 ( -3.376 -10.405 2.034) 11.127 18.647 ( -4.211 36.862 -6.742) 37.709 19.114 ( -4.817 31.299 1.618) 31.709 19.425 ( -4.095 -44.927 -3.756) 45.269 19.711 ( -4.254 -32.190 1.213) 32.493 22.058 ( 2.063 18.263 -5.756) 19.259 22.364 ( 3.158 -14.324 -5.121) 15.536 22.649 ( 0.769 18.277 3.045) 18.545 22.884 ( 2.131 -6.987 2.758) 7.808 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 0.000 0.000 -4.469) 4.469 1.246 ( 0.000 0.000 4.469) 4.469 1.441 ( 0.000 0.000 -7.528) 7.528 1.441 ( 0.000 0.000 7.528) 7.528 1.696 ( 0.000 0.000 -12.635) 12.635 1.696 ( 0.000 0.000 12.635) 12.635 1.843 ( 0.000 0.000 -7.077) 7.077 1.843 ( 0.000 0.000 7.077) 7.077 1.912 ( 0.000 0.000 -4.150) 4.150 1.912 ( 0.000 0.000 4.150) 4.150 2.379 ( 0.000 0.000 -0.167) 0.167 2.379 ( 0.000 0.000 0.167) 0.167 2.478 ( 0.000 0.000 -22.618) 22.618 2.478 ( 0.000 0.000 22.618) 22.618 3.054 ( 0.000 0.000 -3.318) 3.318 3.054 ( 0.000 0.000 3.318) 3.318 3.429 ( 0.000 0.000 -1.468) 1.468 3.429 ( 0.000 0.000 1.468) 1.468 3.459 ( 0.000 0.000 -4.804) 4.804 3.459 ( 0.000 0.000 4.804) 4.804 3.809 ( 0.000 0.000 -10.908) 10.908 3.809 ( 0.000 0.000 10.908) 10.908 3.846 ( 0.000 0.000 -18.061) 18.061 3.846 ( 0.000 0.000 18.061) 18.061 4.033 ( 0.000 0.000 -11.392) 11.392 4.033 ( 0.000 0.000 11.392) 11.392 4.363 ( 0.000 0.000 -5.350) 5.350 4.363 ( 0.000 0.000 5.350) 5.350 4.673 ( 0.000 0.000 -13.173) 13.173 4.673 ( 0.000 0.000 13.173) 13.173 4.786 ( 0.000 0.000 -2.040) 2.040 4.786 ( 0.000 0.000 2.040) 2.040 4.819 ( 0.000 0.000 -5.615) 5.615 4.819 ( 0.000 0.000 5.615) 5.615 5.653 ( 0.000 0.000 -12.712) 12.712 5.653 ( 0.000 0.000 12.712) 12.712 5.833 ( 0.000 0.000 -2.992) 2.992 5.833 ( 0.000 0.000 2.992) 2.992 5.995 ( 0.000 0.000 -0.811) 0.811 5.995 ( 0.000 0.000 0.811) 0.811 6.199 ( 0.000 0.000 -4.181) 4.181 6.199 ( 0.000 0.000 4.181) 4.181 6.480 ( 0.000 0.000 -12.810) 12.810 6.480 ( 0.000 0.000 12.810) 12.810 6.613 ( 0.000 0.000 -4.540) 4.540 6.613 ( 0.000 0.000 4.540) 4.540 6.818 ( 0.000 0.000 -8.031) 8.031 6.818 ( 0.000 0.000 8.031) 8.031 6.896 ( 0.000 0.000 -3.282) 3.282 6.896 ( 0.000 0.000 3.282) 3.282 7.415 ( 0.000 0.000 -6.633) 6.633 7.415 ( 0.000 0.000 6.633) 6.633 7.438 ( 0.000 0.000 -6.335) 6.335 7.438 ( 0.000 0.000 6.335) 6.335 7.930 ( 0.000 0.000 -2.820) 2.820 7.930 ( 0.000 0.000 2.820) 2.820 8.002 ( 0.000 0.000 -3.470) 3.470 8.002 ( 0.000 0.000 3.470) 3.470 8.002 ( 0.000 0.000 -4.018) 4.018 8.002 ( 0.000 0.000 4.018) 4.018 8.637 ( 0.000 0.000 -1.519) 1.519 8.637 ( 0.000 0.000 1.519) 1.519 8.759 ( 0.000 0.000 -3.463) 3.463 8.759 ( 0.000 0.000 3.463) 3.463 9.504 ( 0.000 0.000 -0.652) 0.652 9.504 ( 0.000 0.000 0.652) 0.652 9.579 ( 0.000 0.000 -4.686) 4.686 9.579 ( 0.000 0.000 4.686) 4.686 10.185 ( 0.000 0.000 -1.634) 1.634 10.185 ( 0.000 0.000 1.634) 1.634 10.258 ( 0.000 0.000 -7.721) 7.721 10.258 ( 0.000 0.000 7.721) 7.721 11.047 ( 0.000 0.000 -1.464) 1.464 11.047 ( 0.000 0.000 1.464) 1.464 11.760 ( 0.000 0.000 -1.003) 1.003 11.760 ( 0.000 0.000 1.003) 1.003 12.003 ( 0.000 0.000 -4.401) 4.401 12.003 ( 0.000 0.000 4.401) 4.401 12.101 ( 0.000 0.000 -0.280) 0.280 12.101 ( 0.000 0.000 0.280) 0.280 12.509 ( 0.000 0.000 -12.730) 12.730 12.509 ( 0.000 0.000 12.730) 12.730 12.815 ( 0.000 0.000 -0.330) 0.330 12.815 ( 0.000 0.000 0.330) 0.330 12.961 ( 0.000 0.000 -2.084) 2.084 12.961 ( 0.000 0.000 2.084) 2.084 13.083 ( 0.000 0.000 -1.695) 1.695 13.083 ( 0.000 0.000 1.695) 1.695 13.958 ( 0.000 0.000 -6.543) 6.543 13.958 ( 0.000 0.000 6.543) 6.543 14.657 ( 0.000 0.000 -1.604) 1.604 14.657 ( 0.000 0.000 1.604) 1.604 14.742 ( 0.000 0.000 -0.588) 0.588 14.742 ( 0.000 0.000 0.588) 0.588 15.324 ( 0.000 0.000 -13.483) 13.483 15.324 ( 0.000 0.000 13.483) 13.483 16.263 ( 0.000 0.000 -2.844) 2.844 16.263 ( 0.000 0.000 2.844) 2.844 16.470 ( 0.000 0.000 -2.472) 2.472 16.470 ( 0.000 0.000 2.472) 2.472 19.713 ( 0.000 0.000 -0.080) 0.080 19.713 ( 0.000 0.000 0.080) 0.080 20.478 ( 0.000 0.000 -4.178) 4.178 20.478 ( 0.000 0.000 4.178) 4.178 21.614 ( 0.000 0.000 -6.409) 6.409 21.614 ( 0.000 0.000 6.409) 6.409 22.006 ( 0.000 0.000 -10.910) 10.910 22.006 ( 0.000 0.000 10.910) 10.910 ======================= Grid point 137 (47/60) ======================= q-point: ( 0.11 0.00 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 1.611 0.000 -1.526) 2.219 1.315 ( 1.611 0.000 1.526) 2.219 1.463 ( -0.337 0.000 -1.389) 1.430 1.463 ( -0.337 0.000 1.389) 1.430 1.709 ( 3.476 0.000 -3.517) 4.945 1.709 ( 3.476 0.000 3.517) 4.945 1.888 ( 15.973 0.000 -0.773) 15.992 1.888 ( 15.973 0.000 0.773) 15.992 2.091 ( 8.745 0.000 -0.074) 8.746 2.091 ( 8.745 0.000 0.074) 8.746 2.476 ( 8.532 0.000 -3.004) 9.045 2.476 ( 8.532 0.000 3.004) 9.045 2.605 ( 15.120 0.000 -13.211) 20.078 2.605 ( 15.120 0.000 13.211) 20.078 3.083 ( 3.946 0.000 -0.824) 4.031 3.083 ( 3.946 0.000 0.824) 4.031 3.366 ( -5.558 0.000 -5.727) 7.981 3.366 ( -5.558 0.000 5.727) 7.981 3.424 ( -4.310 0.000 -2.160) 4.821 3.424 ( -4.310 0.000 2.160) 4.821 3.762 ( -3.713 0.000 -7.294) 8.185 3.762 ( -3.713 0.000 7.294) 8.185 3.876 ( 2.926 0.000 -16.424) 16.683 3.876 ( 2.926 0.000 16.424) 16.683 3.986 ( -4.784 0.000 -9.962) 11.051 3.986 ( -4.784 0.000 9.962) 11.051 4.391 ( 2.623 0.000 -3.541) 4.406 4.391 ( 2.623 0.000 3.541) 4.406 4.659 ( -0.989 0.000 -9.488) 9.540 4.659 ( -0.989 0.000 9.488) 9.540 4.732 ( -4.851 0.000 -0.369) 4.865 4.732 ( -4.851 0.000 0.369) 4.865 4.853 ( 2.502 0.000 -10.237) 10.539 4.853 ( 2.502 0.000 10.237) 10.539 5.524 ( -11.030 0.000 -10.631) 15.319 5.524 ( -11.030 0.000 10.631) 15.319 5.842 ( -0.360 0.000 -4.520) 4.534 5.842 ( -0.360 0.000 4.520) 4.534 6.029 ( 1.776 0.000 -0.689) 1.905 6.029 ( 1.776 0.000 0.689) 1.905 6.126 ( -2.697 0.000 -1.158) 2.935 6.126 ( -2.697 0.000 1.158) 2.935 6.437 ( 2.004 0.000 -11.939) 12.106 6.437 ( 2.004 0.000 11.939) 12.106 6.665 ( 0.005 0.000 -1.658) 1.658 6.665 ( 0.005 0.000 1.658) 1.658 6.786 ( -3.854 0.000 -5.528) 6.739 6.786 ( -3.854 0.000 5.528) 6.739 7.166 ( 6.909 0.000 -5.801) 9.021 7.166 ( 6.909 0.000 5.801) 9.021 7.473 ( 3.378 0.000 -3.450) 4.829 7.473 ( 3.378 0.000 3.450) 4.829 7.563 ( 14.649 0.000 -0.133) 14.649 7.563 ( 14.649 0.000 0.133) 14.649 7.907 ( -2.676 0.000 -0.126) 2.679 7.907 ( -2.676 0.000 0.126) 2.679 8.077 ( 6.251 0.000 -0.463) 6.268 8.077 ( 6.251 0.000 0.463) 6.268 8.161 ( 25.413 0.000 -8.682) 26.855 8.161 ( 25.413 0.000 8.682) 26.855 8.527 ( -6.918 0.000 -0.307) 6.925 8.527 ( -6.918 0.000 0.307) 6.925 8.854 ( 4.812 0.000 -4.116) 6.332 8.854 ( 4.812 0.000 4.116) 6.332 9.195 ( -13.559 0.000 -1.829) 13.681 9.195 ( -13.559 0.000 1.829) 13.681 9.780 ( 1.151 0.000 -0.134) 1.158 9.780 ( 1.151 0.000 0.134) 1.158 10.191 ( 7.340 0.000 -0.197) 7.342 10.191 ( 7.340 0.000 0.197) 7.342 10.342 ( 5.259 0.000 -6.536) 8.389 10.342 ( 5.259 0.000 6.536) 8.389 11.051 ( 0.602 0.000 -0.230) 0.644 11.051 ( 0.602 0.000 0.230) 0.644 11.573 ( -21.651 0.000 -1.846) 21.730 11.573 ( -21.651 0.000 1.846) 21.730 11.851 ( 3.409 0.000 -3.191) 4.669 11.851 ( 3.409 0.000 3.191) 4.669 12.331 ( 7.182 0.000 -5.042) 8.775 12.331 ( 7.182 0.000 5.042) 8.775 12.392 ( -5.996 0.000 -3.125) 6.761 12.392 ( -5.996 0.000 3.125) 6.761 12.868 ( 2.177 0.000 -2.977) 3.688 12.868 ( 2.177 0.000 2.977) 3.688 13.051 ( -1.756 0.000 -1.775) 2.497 13.051 ( -1.756 0.000 1.775) 2.497 13.087 ( 7.617 0.000 -0.391) 7.627 13.087 ( 7.617 0.000 0.391) 7.627 14.021 ( 6.345 0.000 -9.360) 11.307 14.021 ( 6.345 0.000 9.360) 11.307 14.613 ( -2.452 0.000 -1.277) 2.764 14.613 ( -2.452 0.000 1.277) 2.764 14.743 ( 0.608 0.000 -0.679) 0.912 14.743 ( 0.608 0.000 0.679) 0.912 15.369 ( 3.844 0.000 -11.006) 11.658 15.369 ( 3.844 0.000 11.006) 11.658 16.220 ( -4.291 0.000 -0.331) 4.304 16.220 ( -4.291 0.000 0.331) 4.304 16.465 ( -0.836 0.000 -1.681) 1.878 16.465 ( -0.836 0.000 1.681) 1.878 19.266 ( -32.614 0.000 -5.703) 33.109 19.266 ( -32.614 0.000 5.703) 33.109 20.829 ( 21.528 0.000 -3.108) 21.751 20.829 ( 21.528 0.000 3.108) 21.751 21.424 ( -12.330 0.000 -0.079) 12.330 21.424 ( -12.330 0.000 0.079) 12.330 22.218 ( 15.856 0.000 -3.428) 16.223 22.218 ( 15.856 0.000 3.428) 16.223 ======================= Grid point 139 (48/60) ======================= q-point: ( 0.22 0.00 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -1.574 0.000 -4.515) 4.781 1.299 ( -1.574 0.000 4.515) 4.781 1.414 ( -2.487 0.000 -2.469) 3.504 1.414 ( -2.487 0.000 2.469) 3.504 1.908 ( 14.162 0.000 -4.161) 14.761 1.908 ( 14.162 0.000 4.161) 14.761 2.163 ( 10.139 0.000 -14.244) 17.484 2.163 ( 10.139 0.000 14.244) 17.484 2.358 ( 20.652 0.000 -3.459) 20.940 2.358 ( 20.652 0.000 3.459) 20.940 2.643 ( 5.887 0.000 -0.336) 5.896 2.643 ( 5.887 0.000 0.336) 5.896 2.953 ( 18.275 0.000 -1.968) 18.381 2.953 ( 18.275 0.000 1.968) 18.381 3.195 ( -6.764 0.000 -3.761) 7.739 3.195 ( -6.764 0.000 3.761) 7.739 3.269 ( 4.193 0.000 -5.585) 6.984 3.269 ( 4.193 0.000 5.585) 6.984 3.386 ( 9.538 0.000 -7.098) 11.889 3.386 ( 9.538 0.000 7.098) 11.889 3.691 ( -4.024 0.000 -0.764) 4.096 3.691 ( -4.024 0.000 0.764) 4.096 3.868 ( -6.506 0.000 -7.364) 9.826 3.868 ( -6.506 0.000 7.364) 9.826 3.950 ( 4.397 0.000 -12.644) 13.387 3.950 ( 4.397 0.000 12.644) 13.387 4.455 ( 4.038 0.000 -0.697) 4.097 4.455 ( 4.038 0.000 0.697) 4.097 4.598 ( -7.050 0.000 -4.932) 8.604 4.598 ( -7.050 0.000 4.932) 8.604 4.656 ( -1.468 0.000 -2.225) 2.666 4.656 ( -1.468 0.000 2.225) 2.666 4.892 ( 1.075 0.000 -13.837) 13.878 4.892 ( 1.075 0.000 13.837) 13.878 5.302 ( -11.603 0.000 -9.109) 14.752 5.302 ( -11.603 0.000 9.109) 14.752 5.827 ( -0.652 0.000 -4.489) 4.536 5.827 ( -0.652 0.000 4.489) 4.536 6.017 ( -3.214 0.000 -0.629) 3.275 6.017 ( -3.214 0.000 0.629) 3.275 6.079 ( -3.592 0.000 -0.491) 3.625 6.079 ( -3.592 0.000 0.491) 3.625 6.506 ( 2.634 0.000 -8.642) 9.034 6.506 ( 2.634 0.000 8.642) 9.034 6.666 ( -6.767 0.000 -1.197) 6.872 6.666 ( -6.767 0.000 1.197) 6.872 6.719 ( 6.501 0.000 -0.536) 6.523 6.719 ( 6.501 0.000 0.536) 6.523 7.155 ( -3.461 0.000 -1.938) 3.966 7.155 ( -3.461 0.000 1.938) 3.966 7.543 ( 3.288 0.000 -2.725) 4.270 7.543 ( 3.288 0.000 2.725) 4.270 7.697 ( 2.504 0.000 -2.629) 3.631 7.697 ( 2.504 0.000 2.629) 3.631 7.824 ( -6.747 0.000 -0.092) 6.748 7.824 ( -6.747 0.000 0.092) 6.748 8.157 ( 3.733 0.000 -0.089) 3.734 8.157 ( 3.733 0.000 0.089) 3.734 8.345 ( -6.130 0.000 -0.867) 6.191 8.345 ( -6.130 0.000 0.867) 6.191 8.720 ( -10.000 0.000 -0.317) 10.005 8.720 ( -10.000 0.000 0.317) 10.005 8.891 ( 20.164 0.000 -2.857) 20.366 8.891 ( 20.164 0.000 2.857) 20.366 9.338 ( 30.566 0.000 -9.754) 32.085 9.338 ( 30.566 0.000 9.754) 32.085 9.661 ( -8.454 0.000 -0.405) 8.464 9.661 ( -8.454 0.000 0.405) 8.464 10.274 ( -3.619 0.000 -7.608) 8.425 10.274 ( -3.619 0.000 7.608) 8.425 10.535 ( 14.805 0.000 -0.079) 14.805 10.535 ( 14.805 0.000 0.079) 14.805 11.073 ( 1.271 0.000 -0.095) 1.274 11.073 ( 1.271 0.000 0.095) 1.274 11.244 ( -9.095 0.000 -2.714) 9.492 11.244 ( -9.095 0.000 2.714) 9.492 11.933 ( 3.535 0.000 -4.254) 5.531 11.933 ( 3.535 0.000 4.254) 5.531 12.305 ( -1.330 0.000 -4.250) 4.454 12.305 ( -1.330 0.000 4.250) 4.454 12.418 ( 1.207 0.000 -0.819) 1.459 12.418 ( 1.207 0.000 0.819) 1.459 12.861 ( -3.144 0.000 -0.580) 3.197 12.861 ( -3.144 0.000 0.580) 3.197 12.962 ( -6.834 0.000 -1.775) 7.061 12.962 ( -6.834 0.000 1.775) 7.061 13.152 ( -3.475 0.000 -2.662) 4.377 13.152 ( -3.475 0.000 2.662) 4.377 14.167 ( 8.209 0.000 -10.727) 13.508 14.167 ( 8.209 0.000 10.727) 13.508 14.657 ( 7.508 0.000 -1.005) 7.575 14.657 ( 7.508 0.000 1.005) 7.575 14.798 ( 6.213 0.000 -2.559) 6.719 14.798 ( 6.213 0.000 2.559) 6.719 15.440 ( 3.344 0.000 -5.162) 6.150 15.440 ( 3.344 0.000 5.162) 6.150 16.105 ( -7.838 0.000 -1.109) 7.916 16.105 ( -7.838 0.000 1.109) 7.916 16.430 ( -2.842 0.000 -0.304) 2.858 16.430 ( -2.842 0.000 0.304) 2.858 18.690 ( -26.303 0.000 -8.193) 27.549 18.690 ( -26.303 0.000 8.193) 27.549 20.964 ( -7.693 0.000 -0.789) 7.733 20.964 ( -7.693 0.000 0.789) 7.733 21.386 ( 8.982 0.000 -0.355) 8.989 21.386 ( 8.982 0.000 0.355) 8.989 22.506 ( 13.395 0.000 -0.591) 13.408 22.506 ( 13.395 0.000 0.591) 13.408 ======================= Grid point 141 (49/60) ======================= q-point: ( 0.33 0.00 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.487 0.000 -5.108) 5.131 1.288 ( 0.487 0.000 5.108) 5.131 1.380 ( -1.365 0.000 -2.037) 2.452 1.380 ( -1.365 0.000 2.037) 2.452 2.187 ( 14.455 0.000 -5.442) 15.445 2.187 ( 14.455 0.000 5.442) 15.445 2.398 ( 14.145 0.000 -7.024) 15.793 2.398 ( 14.145 0.000 7.024) 15.793 2.642 ( 4.507 0.000 -2.703) 5.256 2.642 ( 4.507 0.000 2.703) 5.256 2.739 ( 7.382 0.000 -0.022) 7.382 2.739 ( 7.382 0.000 0.022) 7.382 3.005 ( -8.021 0.000 -4.890) 9.394 3.005 ( -8.021 0.000 4.890) 9.394 3.189 ( 4.746 0.000 -0.003) 4.746 3.189 ( 4.746 0.000 0.003) 4.746 3.378 ( 8.655 0.000 -1.266) 8.747 3.378 ( 8.655 0.000 1.266) 8.747 3.535 ( -4.288 0.000 -11.147) 11.944 3.535 ( -4.288 0.000 11.147) 11.944 3.780 ( 7.069 0.000 -0.077) 7.070 3.780 ( 7.069 0.000 0.077) 7.070 3.844 ( 14.204 0.000 -2.352) 14.398 3.844 ( 14.204 0.000 2.352) 14.398 4.029 ( 4.276 0.000 -4.864) 6.476 4.029 ( 4.276 0.000 4.864) 6.476 4.424 ( -11.200 0.000 -2.624) 11.503 4.424 ( -11.200 0.000 2.624) 11.503 4.535 ( 2.787 0.000 -3.557) 4.519 4.535 ( 2.787 0.000 3.557) 4.519 4.649 ( 2.046 0.000 -7.362) 7.641 4.649 ( 2.046 0.000 7.362) 7.641 4.886 ( -1.396 0.000 -13.015) 13.089 4.886 ( -1.396 0.000 13.015) 13.089 5.091 ( -10.570 0.000 -7.951) 13.226 5.091 ( -10.570 0.000 7.951) 13.226 5.800 ( -3.027 0.000 -3.202) 4.406 5.800 ( -3.027 0.000 3.202) 4.406 5.941 ( -4.741 0.000 -3.681) 6.003 5.941 ( -4.741 0.000 3.681) 6.003 5.997 ( -2.842 0.000 -0.150) 2.846 5.997 ( -2.842 0.000 0.150) 2.846 6.456 ( -7.366 0.000 -2.638) 7.824 6.456 ( -7.366 0.000 2.638) 7.824 6.602 ( 1.491 0.000 -7.814) 7.955 6.602 ( 1.491 0.000 7.814) 7.955 6.905 ( 10.371 0.000 -0.000) 10.371 6.905 ( 10.371 0.000 0.000) 10.371 7.088 ( -3.103 0.000 -1.906) 3.642 7.088 ( -3.103 0.000 1.906) 3.642 7.588 ( 1.376 0.000 -3.392) 3.661 7.588 ( 1.376 0.000 3.392) 3.661 7.663 ( -8.724 0.000 -0.107) 8.725 7.663 ( -8.724 0.000 0.107) 8.725 7.718 ( -0.206 0.000 -3.188) 3.194 7.718 ( -0.206 0.000 3.188) 3.194 8.220 ( 1.209 0.000 -0.231) 1.231 8.220 ( 1.209 0.000 0.231) 1.231 8.254 ( -2.526 0.000 -5.892) 6.410 8.254 ( -2.526 0.000 5.892) 6.410 8.538 ( -5.166 0.000 -4.062) 6.572 8.538 ( -5.166 0.000 4.062) 6.572 9.038 ( -3.056 0.000 -3.847) 4.913 9.038 ( -3.056 0.000 3.847) 4.913 9.540 ( 1.361 0.000 -0.814) 1.586 9.540 ( 1.361 0.000 0.814) 1.586 10.004 ( 26.211 0.000 -9.845) 27.999 10.004 ( 26.211 0.000 9.845) 27.999 10.129 ( -8.008 0.000 -5.657) 9.805 10.129 ( -8.008 0.000 5.657) 9.805 10.751 ( 7.309 0.000 -0.020) 7.309 10.751 ( 7.309 0.000 0.020) 7.309 11.147 ( 8.890 0.000 -0.015) 8.890 11.147 ( 8.890 0.000 0.015) 8.890 11.244 ( 4.996 0.000 -2.699) 5.678 11.244 ( 4.996 0.000 2.699) 5.678 11.970 ( 0.653 0.000 -5.943) 5.979 11.970 ( 0.653 0.000 5.943) 5.979 12.300 ( 0.318 0.000 -1.912) 1.938 12.300 ( 0.318 0.000 1.912) 1.938 12.428 ( 0.316 0.000 -1.451) 1.485 12.428 ( 0.316 0.000 1.451) 1.485 12.742 ( -9.565 0.000 -1.319) 9.655 12.742 ( -9.565 0.000 1.319) 9.655 12.813 ( -8.129 0.000 -5.922) 10.057 12.813 ( -8.129 0.000 5.922) 10.057 12.977 ( -11.886 0.000 -0.810) 11.914 12.977 ( -11.886 0.000 0.810) 11.914 14.332 ( 8.968 0.000 -6.884) 11.306 14.332 ( 8.968 0.000 6.884) 11.306 14.813 ( 7.606 0.000 -3.184) 8.246 14.813 ( 7.606 0.000 3.184) 8.246 14.980 ( 10.150 0.000 -9.565) 13.946 14.980 ( 10.150 0.000 9.565) 13.946 15.506 ( 3.953 0.000 -4.432) 5.938 15.506 ( 3.953 0.000 4.432) 5.938 15.934 ( -9.232 0.000 -8.215) 12.358 15.934 ( -9.232 0.000 8.215) 12.358 16.365 ( -3.741 0.000 -0.000) 3.741 16.365 ( -3.741 0.000 0.000) 3.741 18.294 ( -15.249 0.000 -5.200) 16.111 18.294 ( -15.249 0.000 5.200) 16.111 20.781 ( -8.880 0.000 -0.154) 8.881 20.781 ( -8.880 0.000 0.154) 8.881 21.556 ( 7.158 0.000 -0.562) 7.180 21.556 ( 7.158 0.000 0.562) 7.180 22.708 ( 7.712 0.000 -0.042) 7.712 22.708 ( 7.712 0.000 0.042) 7.712 ======================= Grid point 143 (50/60) ======================= q-point: ( 0.44 0.00 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.938 0.000 -2.422) 2.597 1.306 ( 0.938 0.000 2.422) 2.597 1.358 ( -0.821 0.000 -0.896) 1.215 1.358 ( -0.821 0.000 0.896) 1.215 2.441 ( 11.710 0.000 -5.257) 12.836 2.441 ( 11.710 0.000 5.257) 12.836 2.555 ( 1.404 0.000 -0.092) 1.407 2.555 ( 1.404 0.000 0.092) 1.407 2.671 ( -7.459 0.000 -0.388) 7.469 2.671 ( -7.459 0.000 0.388) 7.469 2.815 ( 10.043 0.000 -9.002) 13.486 2.815 ( 10.043 0.000 9.002) 13.486 2.989 ( 4.480 0.000 -4.922) 6.656 2.989 ( 4.480 0.000 4.922) 6.656 3.213 ( -12.979 0.000 -4.580) 13.763 3.213 ( -12.978 0.000 4.580) 13.763 3.271 ( 0.865 0.000 -0.815) 1.189 3.271 ( 0.865 0.000 0.815) 1.189 3.747 ( 16.263 0.000 -7.926) 18.092 3.747 ( 16.263 0.000 7.926) 18.092 3.871 ( 4.728 0.000 -2.497) 5.347 3.871 ( 4.728 0.000 2.497) 5.347 3.987 ( -3.319 0.000 -0.018) 3.319 3.987 ( -3.319 0.000 0.018) 3.319 4.171 ( -3.929 0.000 -0.125) 3.931 4.171 ( -3.929 0.000 0.125) 3.931 4.229 ( 3.865 0.000 -1.511) 4.150 4.229 ( 3.865 0.000 1.511) 4.150 4.500 ( -4.437 0.000 -0.013) 4.437 4.500 ( -4.437 0.000 0.013) 4.437 4.757 ( 5.971 0.000 -2.776) 6.584 4.757 ( 5.971 0.000 2.776) 6.584 4.860 ( -0.701 0.000 -4.423) 4.478 4.860 ( -0.701 0.000 4.423) 4.478 4.917 ( -6.707 0.000 -5.549) 8.705 4.917 ( -6.707 0.000 5.549) 8.705 5.735 ( -2.414 0.000 -0.349) 2.440 5.735 ( -2.414 0.000 0.349) 2.440 5.845 ( -3.535 0.000 -1.759) 3.949 5.845 ( -3.535 0.000 1.759) 3.949 6.002 ( 1.485 0.000 -0.028) 1.485 6.002 ( 1.485 0.000 0.028) 1.485 6.329 ( -4.494 0.000 -1.778) 4.833 6.329 ( -4.494 0.000 1.778) 4.833 6.645 ( 1.789 0.000 -1.298) 2.210 6.645 ( 1.789 0.000 1.298) 2.210 7.020 ( 0.021 0.000 -0.070) 0.073 7.020 ( 0.021 0.000 0.070) 0.073 7.082 ( 3.286 0.000 -0.343) 3.303 7.082 ( 3.286 0.000 0.343) 3.303 7.523 ( -3.995 0.000 -0.907) 4.097 7.523 ( -3.995 0.000 0.907) 4.097 7.626 ( 1.764 0.000 -1.071) 2.064 7.626 ( 1.764 0.000 1.071) 2.064 7.691 ( -2.219 0.000 -1.466) 2.659 7.691 ( -2.219 0.000 1.466) 2.659 8.181 ( -1.725 0.000 -0.574) 1.818 8.181 ( -1.725 0.000 0.574) 1.818 8.251 ( -0.363 0.000 -4.370) 4.385 8.251 ( -0.363 0.000 4.370) 4.385 8.542 ( 3.318 0.000 -2.880) 4.394 8.542 ( 3.318 0.000 2.880) 4.394 8.897 ( -7.355 0.000 -2.252) 7.692 8.897 ( -7.355 0.000 2.252) 7.692 9.639 ( 5.902 0.000 -1.491) 6.088 9.639 ( 5.902 0.000 1.491) 6.088 9.941 ( -7.090 0.000 -4.049) 8.164 9.941 ( -7.090 0.000 4.049) 8.164 10.358 ( 8.221 0.000 -2.979) 8.744 10.358 ( 8.221 0.000 2.979) 8.744 10.862 ( 3.940 0.000 -0.000) 3.940 10.862 ( 3.940 0.000 0.000) 3.940 11.311 ( 4.813 0.000 -0.847) 4.887 11.311 ( 4.813 0.000 0.847) 4.887 11.355 ( 5.571 0.000 -0.220) 5.575 11.355 ( 5.571 0.000 0.220) 5.575 11.970 ( -0.352 0.000 -3.708) 3.725 11.970 ( -0.352 0.000 3.708) 3.725 12.321 ( 1.810 0.000 -0.036) 1.810 12.321 ( 1.810 0.000 0.036) 1.810 12.427 ( -0.554 0.000 -3.754) 3.795 12.427 ( -0.554 0.000 3.754) 3.795 12.559 ( -7.042 0.000 -1.014) 7.114 12.559 ( -7.042 0.000 1.014) 7.114 12.639 ( -7.627 0.000 -1.372) 7.750 12.639 ( -7.627 0.000 1.372) 7.750 12.833 ( -2.957 0.000 -0.002) 2.957 12.833 ( -2.957 0.000 0.003) 2.957 14.473 ( 4.641 0.000 -1.890) 5.011 14.473 ( 4.641 0.000 1.890) 5.011 14.921 ( 2.867 0.000 -2.571) 3.851 14.921 ( 2.867 0.000 2.571) 3.851 15.107 ( 3.508 0.000 -5.002) 6.110 15.107 ( 3.508 0.000 5.002) 6.110 15.558 ( 0.069 0.000 -7.702) 7.702 15.558 ( 0.069 0.000 7.702) 7.702 15.817 ( -1.801 0.000 -10.004) 10.164 15.817 ( -1.801 0.000 10.004) 10.164 16.302 ( -2.225 0.000 -0.036) 2.226 16.302 ( -2.225 0.000 0.036) 2.226 18.107 ( -4.699 0.000 -0.842) 4.774 18.107 ( -4.699 0.000 0.842) 4.774 20.661 ( -3.298 0.000 -0.018) 3.298 20.661 ( -3.298 0.000 0.018) 3.298 21.647 ( 2.434 0.000 -0.075) 2.435 21.647 ( 2.434 0.000 0.075) 2.435 22.801 ( 2.336 0.000 -0.001) 2.336 22.801 ( 2.336 0.000 0.001) 2.336 ======================= Grid point 153 (51/60) ======================= q-point: ( 0.00 0.20 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.000 4.514 -3.673) 5.819 1.303 ( 0.000 4.514 3.673) 5.819 1.484 ( 0.000 3.757 -7.952) 8.795 1.484 ( 0.000 3.757 7.952) 8.795 1.597 ( 0.000 -16.469 -17.783) 24.238 1.597 ( 0.000 -16.469 17.783) 24.238 1.713 ( 0.000 -5.205 -11.791) 12.889 1.713 ( 0.000 -5.205 11.791) 12.889 1.933 ( 0.000 0.112 -2.785) 2.788 1.933 ( 0.000 0.112 2.785) 2.788 2.391 ( 0.000 0.896 -0.062) 0.898 2.391 ( 0.000 0.896 0.062) 0.898 2.529 ( 0.000 7.800 -5.740) 9.684 2.529 ( 0.000 7.800 5.740) 9.684 3.117 ( 0.000 5.621 -5.196) 7.655 3.117 ( 0.000 5.621 5.196) 7.655 3.346 ( 0.000 -5.199 -0.011) 5.199 3.346 ( 0.000 -5.199 0.011) 5.199 3.474 ( 0.000 0.426 -3.821) 3.844 3.474 ( 0.000 0.426 3.821) 3.844 3.682 ( 0.000 -5.584 -15.701) 16.665 3.682 ( 0.000 -5.584 15.701) 16.665 3.919 ( 0.000 -7.590 -6.621) 10.072 3.919 ( 0.000 -7.590 6.621) 10.072 4.064 ( 0.000 11.700 -11.246) 16.228 4.064 ( 0.000 11.700 11.246) 16.228 4.428 ( 0.000 6.431 -5.822) 8.675 4.428 ( 0.000 6.431 5.822) 8.675 4.753 ( 0.000 -2.792 -2.641) 3.843 4.753 ( 0.000 -2.792 2.641) 3.843 4.779 ( 0.000 -2.491 -3.842) 4.579 4.779 ( 0.000 -2.491 3.842) 4.579 4.929 ( 0.000 19.465 -16.789) 25.705 4.929 ( 0.000 19.465 16.789) 25.705 5.472 ( 0.000 -15.410 -11.698) 19.347 5.472 ( 0.000 -15.410 11.698) 19.347 5.801 ( 0.000 -2.081 -0.932) 2.280 5.801 ( 0.000 -2.081 0.932) 2.280 6.025 ( 0.000 -3.119 -0.063) 3.120 6.025 ( 0.000 -3.119 0.063) 3.120 6.131 ( 0.000 -1.391 -0.866) 1.639 6.131 ( 0.000 -1.391 0.866) 1.639 6.362 ( 0.000 -11.121 -14.124) 17.976 6.362 ( 0.000 -11.121 14.124) 17.976 6.513 ( 0.000 -6.525 -5.325) 8.422 6.513 ( 0.000 -6.525 5.325) 8.422 6.925 ( 0.000 5.517 -1.729) 5.782 6.925 ( 0.000 5.517 1.729) 5.782 6.968 ( 0.000 6.059 -0.283) 6.065 6.968 ( 0.000 6.059 0.283) 6.065 7.319 ( 0.000 -9.952 -7.983) 12.758 7.319 ( 0.000 -9.952 7.983) 12.758 7.409 ( 0.000 -1.626 -4.436) 4.724 7.409 ( 0.000 -1.626 4.436) 4.724 7.785 ( 0.000 0.652 -1.457) 1.597 7.785 ( 0.000 0.652 1.457) 1.597 7.988 ( 0.000 -0.789 -2.776) 2.886 7.988 ( 0.000 -0.789 2.776) 2.886 8.297 ( 0.000 9.005 -2.357) 9.309 8.297 ( 0.000 9.005 2.357) 9.309 8.672 ( 0.000 10.551 -1.663) 10.681 8.672 ( 0.000 10.551 1.663) 10.681 8.896 ( 0.000 9.840 -1.760) 9.996 8.896 ( 0.000 9.840 1.760) 9.996 9.510 ( 0.000 -2.438 -0.291) 2.455 9.510 ( 0.000 -2.438 0.291) 2.455 9.586 ( 0.000 3.728 -2.189) 4.323 9.586 ( 0.000 3.728 2.189) 4.323 10.058 ( 0.000 -9.032 -5.369) 10.507 10.058 ( 0.000 -9.032 5.369) 10.507 10.311 ( 0.000 1.889 -0.987) 2.131 10.311 ( 0.000 1.889 0.987) 2.131 11.051 ( 0.000 0.145 -0.767) 0.780 11.051 ( 0.000 0.145 0.767) 0.780 11.747 ( 0.000 -1.522 -1.020) 1.832 11.747 ( 0.000 -1.522 1.020) 1.832 11.944 ( 0.000 -5.071 -3.209) 6.001 11.944 ( 0.000 -5.071 3.209) 6.001 12.102 ( 0.000 0.307 -0.014) 0.307 12.102 ( 0.000 0.307 0.014) 0.307 12.478 ( 0.000 -2.190 -7.952) 8.248 12.478 ( 0.000 -2.190 7.952) 8.248 12.846 ( 0.000 2.174 -0.913) 2.357 12.846 ( 0.000 2.174 0.913) 2.357 12.965 ( 0.000 0.230 -2.858) 2.867 12.965 ( 0.000 0.230 2.858) 2.867 13.143 ( 0.000 5.490 -2.273) 5.942 13.143 ( 0.000 5.490 2.273) 5.942 13.930 ( 0.000 -2.605 -4.812) 5.472 13.930 ( 0.000 -2.605 4.812) 5.472 14.672 ( 0.000 1.464 -1.395) 2.022 14.672 ( 0.000 1.464 1.395) 2.022 14.741 ( 0.000 -0.209 -0.027) 0.211 14.741 ( 0.000 -0.209 0.027) 0.211 15.345 ( 0.000 2.155 -12.733) 12.914 15.345 ( 0.000 2.155 12.733) 12.914 16.100 ( 0.000 -13.042 -7.388) 14.989 16.100 ( 0.000 -13.042 7.388) 14.989 16.519 ( 0.000 2.701 -0.999) 2.880 16.519 ( 0.000 2.701 0.999) 2.880 19.784 ( 0.000 6.335 -0.481) 6.353 19.784 ( 0.000 6.335 0.481) 6.353 20.444 ( 0.000 -3.235 -2.236) 3.933 20.444 ( 0.000 -3.235 2.236) 3.933 21.616 ( 0.000 0.519 -2.949) 2.994 21.616 ( 0.000 0.519 2.949) 2.994 22.081 ( 0.000 6.549 -7.124) 9.676 22.081 ( 0.000 6.549 7.124) 9.676 ======================= Grid point 155 (52/60) ======================= q-point: ( 0.11 0.20 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -2.580 -1.184 0.000) 2.839 1.341 ( -0.315 1.069 0.000) 1.114 1.475 ( -5.000 1.220 -0.000) 5.147 1.487 ( -1.531 0.067 -0.000) 1.532 1.570 ( 4.870 -2.936 -0.000) 5.686 1.663 ( 6.162 -17.848 0.000) 18.882 1.737 ( 12.061 -16.987 0.000) 20.833 1.909 ( 17.333 1.727 -0.000) 17.419 1.979 ( 10.670 4.321 0.000) 11.512 2.238 ( 18.445 1.895 0.000) 18.542 2.435 ( 6.383 -1.422 -0.000) 6.540 2.450 ( 5.442 1.713 0.000) 5.705 2.609 ( 11.422 9.761 -0.000) 15.025 2.788 ( 22.198 5.174 0.000) 22.793 3.091 ( -0.997 5.413 -0.000) 5.504 3.138 ( 1.617 2.569 0.000) 3.036 3.269 ( -6.094 -6.297 0.000) 8.762 3.346 ( -8.254 -4.669 0.000) 9.483 3.348 ( -7.797 -3.034 -0.000) 8.367 3.371 ( -2.016 -4.060 0.000) 4.532 3.685 ( -1.126 -6.483 -0.000) 6.580 3.754 ( 2.261 1.016 0.000) 2.479 3.886 ( -0.982 -0.582 -0.000) 1.142 3.929 ( -0.968 -5.992 0.000) 6.070 3.988 ( -1.564 10.486 -0.000) 10.602 4.151 ( 3.432 12.951 0.000) 13.398 4.440 ( 3.039 5.427 -0.000) 6.221 4.452 ( 0.929 5.162 0.000) 5.245 4.668 ( -6.938 5.848 -0.000) 9.074 4.701 ( -5.553 -2.097 0.000) 5.935 4.732 ( -2.599 -2.914 -0.000) 3.905 4.779 ( 0.242 -2.294 0.000) 2.307 4.907 ( 0.156 7.805 -0.000) 7.806 5.021 ( 4.203 20.682 0.000) 21.104 5.326 ( -8.739 -10.705 0.000) 13.819 5.476 ( -3.910 -12.421 0.000) 13.022 5.773 ( -0.741 -4.384 0.000) 4.446 5.862 ( -1.607 1.607 0.000) 2.273 5.941 ( 1.897 -8.532 0.000) 8.740 6.020 ( -1.288 -3.080 0.000) 3.338 6.058 ( -4.477 2.341 0.000) 5.052 6.172 ( 0.846 -0.771 -0.000) 1.145 6.311 ( -0.237 -8.788 -0.000) 8.791 6.387 ( 2.868 -11.260 0.000) 11.620 6.539 ( 0.332 -6.087 -0.000) 6.096 6.593 ( 0.669 -4.378 0.000) 4.429 6.910 ( -1.336 7.488 -0.000) 7.606 6.923 ( -4.232 8.166 0.000) 9.197 7.171 ( 6.447 1.247 0.000) 6.566 7.184 ( 2.376 -1.973 -0.000) 3.088 7.330 ( 9.907 -13.616 0.000) 16.839 7.430 ( 4.619 -2.593 0.000) 5.297 7.525 ( 14.269 0.049 -0.000) 14.270 7.538 ( 11.594 -2.683 0.000) 11.901 7.756 ( -3.337 0.805 0.000) 3.433 7.808 ( 12.251 -6.462 0.000) 13.851 8.071 ( 12.240 -3.208 0.000) 12.654 8.141 ( 13.326 0.986 -0.000) 13.362 8.323 ( 2.775 5.850 0.000) 6.475 8.347 ( 8.843 13.294 -0.000) 15.966 8.612 ( -9.300 6.107 0.000) 11.126 8.647 ( 1.080 13.413 0.000) 13.457 8.844 ( 1.351 6.825 -0.000) 6.957 8.982 ( 0.916 6.734 0.000) 6.796 9.201 ( -12.922 2.248 0.000) 13.116 9.270 ( -9.584 5.484 0.000) 11.042 9.691 ( -1.723 -6.168 0.000) 6.404 9.789 ( 0.652 -2.254 0.000) 2.346 10.094 ( 11.911 -3.235 0.000) 12.342 10.168 ( 4.100 -6.994 0.000) 8.108 10.344 ( 11.470 4.488 0.000) 12.317 10.381 ( 1.977 -0.879 0.000) 2.164 11.033 ( -0.288 -0.524 -0.000) 0.598 11.089 ( 2.790 1.880 -0.000) 3.364 11.520 ( -21.247 -2.500 -0.000) 21.394 11.597 ( -18.784 -0.676 0.000) 18.796 11.842 ( -1.632 1.126 0.000) 1.982 11.883 ( 5.531 1.662 0.000) 5.776 12.155 ( 7.407 -9.403 0.000) 11.969 12.255 ( -2.186 -9.014 -0.000) 9.275 12.436 ( 2.194 2.763 0.000) 3.528 12.441 ( -3.769 1.365 -0.000) 4.009 12.842 ( 0.315 1.716 -0.000) 1.745 12.947 ( 4.087 1.439 -0.000) 4.333 13.042 ( 3.115 0.237 -0.000) 3.124 13.050 ( 3.634 0.474 0.000) 3.665 13.124 ( 0.828 5.188 0.000) 5.253 13.159 ( 2.221 4.353 0.000) 4.887 13.986 ( 6.369 -2.231 -0.000) 6.749 14.013 ( 8.004 -1.710 0.000) 8.185 14.620 ( -2.102 1.226 0.000) 2.433 14.636 ( -3.330 1.920 -0.000) 3.844 14.730 ( 0.368 -1.179 -0.000) 1.235 14.746 ( 0.007 -0.278 -0.000) 0.278 15.351 ( 2.668 -0.112 -0.000) 2.670 15.406 ( 3.184 1.900 0.000) 3.707 15.997 ( -5.586 -13.547 0.000) 14.654 16.156 ( 0.349 -9.872 0.000) 9.878 16.485 ( -3.265 1.745 0.000) 3.702 16.513 ( -1.030 1.883 0.000) 2.146 19.213 ( -33.379 8.305 0.000) 34.397 19.624 ( -25.010 21.753 0.000) 33.147 20.575 ( 10.295 -27.649 0.000) 29.504 20.624 ( 3.457 -13.411 0.000) 13.850 21.359 ( -6.160 11.345 0.000) 12.909 21.895 ( 5.747 23.342 0.000) 24.039 22.046 ( 12.677 -9.550 0.000) 15.872 22.349 ( 15.540 4.869 0.000) 16.285 ======================= Grid point 157 (53/60) ======================= q-point: ( 0.22 0.20 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -3.391 -4.707 0.000) 5.801 1.274 ( -4.231 -4.492 -0.000) 6.171 1.412 ( -0.671 2.266 -0.000) 2.364 1.467 ( 0.053 2.227 0.000) 2.228 1.767 ( 12.497 -3.838 -0.000) 13.073 1.887 ( 16.914 -15.005 0.000) 22.611 2.010 ( 15.780 -16.269 -0.000) 22.665 2.103 ( 6.971 -1.877 -0.000) 7.220 2.348 ( 19.990 5.568 -0.000) 20.751 2.465 ( 8.608 5.057 0.000) 9.984 2.575 ( 5.655 -0.877 -0.000) 5.723 2.665 ( 8.484 -2.527 0.000) 8.852 2.933 ( 23.158 5.836 -0.000) 23.882 3.069 ( -4.821 -5.317 0.000) 7.177 3.105 ( -10.825 -5.975 -0.000) 12.364 3.146 ( 1.606 1.446 -0.000) 2.161 3.255 ( 1.160 -1.434 0.000) 1.844 3.280 ( 9.474 -1.181 -0.000) 9.547 3.329 ( 27.454 0.002 -0.000) 27.454 3.372 ( 1.765 -1.250 0.000) 2.162 3.599 ( -7.267 -8.292 -0.000) 11.026 3.751 ( -1.855 3.854 -0.000) 4.277 3.874 ( -4.549 -2.759 -0.000) 5.321 3.875 ( 0.054 9.112 0.000) 9.113 4.027 ( 4.968 10.062 -0.000) 11.222 4.188 ( 0.563 13.550 0.000) 13.561 4.458 ( 0.226 1.962 -0.000) 1.975 4.542 ( 4.283 2.579 -0.000) 5.000 4.555 ( -2.519 5.832 -0.000) 6.352 4.568 ( -8.097 -1.448 0.000) 8.225 4.654 ( -5.437 0.769 -0.000) 5.491 4.812 ( 3.254 2.292 0.000) 3.980 4.909 ( -0.238 2.840 -0.000) 2.850 5.062 ( -0.041 17.112 0.000) 17.113 5.173 ( -7.110 -2.413 0.000) 7.508 5.356 ( -8.386 -5.702 0.000) 10.141 5.741 ( -2.788 -5.673 0.000) 6.320 5.849 ( 2.621 -0.078 -0.000) 2.622 5.936 ( -7.421 0.947 0.000) 7.481 5.981 ( -1.242 -5.336 -0.000) 5.479 6.011 ( -0.702 -3.047 0.000) 3.127 6.157 ( -2.158 1.379 -0.000) 2.561 6.352 ( 3.421 -10.568 -0.000) 11.107 6.454 ( 3.298 -11.328 0.000) 11.799 6.537 ( 2.236 -7.177 0.000) 7.517 6.566 ( -5.251 -4.335 0.000) 6.809 6.838 ( -8.037 6.822 0.000) 10.541 6.853 ( -0.011 5.638 0.000) 5.638 7.128 ( -2.550 -1.217 0.000) 2.825 7.203 ( 1.388 1.493 0.000) 2.038 7.431 ( 1.543 -8.693 0.000) 8.829 7.512 ( 3.373 -1.462 0.000) 3.676 7.634 ( 2.732 -6.817 -0.000) 7.345 7.638 ( -1.226 -3.992 0.000) 4.176 7.759 ( 0.883 6.038 0.000) 6.102 7.994 ( 4.335 -3.321 0.000) 5.461 8.174 ( -8.529 18.453 -0.000) 20.329 8.240 ( -1.087 -0.967 0.000) 1.455 8.365 ( 0.984 6.345 0.000) 6.421 8.412 ( -6.102 1.732 -0.000) 6.343 8.648 ( -5.203 -6.316 -0.000) 8.183 8.732 ( -5.830 -0.754 0.000) 5.878 8.936 ( 7.310 5.881 0.000) 9.383 9.007 ( 14.669 8.291 0.000) 16.850 9.228 ( 23.984 -2.504 0.000) 24.115 9.472 ( 23.585 1.384 0.000) 23.626 9.588 ( -0.333 0.289 -0.000) 0.441 9.706 ( -3.266 0.743 0.000) 3.350 10.181 ( -2.672 -5.417 0.000) 6.040 10.269 ( -2.945 -3.272 0.000) 4.402 10.463 ( 12.448 -0.715 0.000) 12.469 10.667 ( 17.614 5.805 -0.000) 18.546 11.040 ( -0.200 0.291 -0.000) 0.354 11.146 ( 0.595 3.330 0.000) 3.383 11.183 ( -8.814 -2.757 -0.000) 9.235 11.285 ( -7.636 0.864 0.000) 7.685 11.881 ( 3.325 -1.271 0.000) 3.560 11.987 ( 4.075 2.370 -0.000) 4.714 12.230 ( 0.949 -6.075 0.000) 6.149 12.263 ( 4.607 -4.967 -0.000) 6.775 12.390 ( -1.617 0.099 0.000) 1.620 12.447 ( -1.036 -0.284 -0.000) 1.075 12.806 ( -4.579 0.871 0.000) 4.661 12.938 ( -6.227 -1.403 0.000) 6.383 12.994 ( -7.043 2.356 0.000) 7.426 13.009 ( -3.528 7.812 -0.000) 8.572 13.137 ( -4.745 -0.581 -0.000) 4.780 13.179 ( -3.433 1.433 0.000) 3.720 14.139 ( 8.518 -0.361 0.000) 8.525 14.203 ( 10.882 1.222 -0.000) 10.950 14.634 ( 4.150 -0.712 0.000) 4.211 14.684 ( 8.984 1.193 0.000) 9.062 14.775 ( 4.935 -1.896 0.000) 5.286 14.795 ( 7.464 -0.845 -0.000) 7.512 15.420 ( 4.198 -1.121 -0.000) 4.345 15.447 ( 1.063 -0.586 0.000) 1.214 15.890 ( -5.874 -11.822 0.000) 13.201 16.101 ( -6.124 -5.907 0.000) 8.509 16.391 ( -6.539 0.221 0.000) 6.543 16.483 ( -2.138 -1.036 0.000) 2.375 18.636 ( -26.162 12.227 -0.000) 28.878 19.136 ( -23.967 27.699 0.000) 36.628 20.556 ( -9.184 -42.200 0.000) 43.188 20.561 ( -7.836 -22.886 -0.000) 24.190 21.423 ( 8.976 19.893 0.000) 21.824 21.988 ( 5.961 25.366 0.000) 26.057 22.336 ( 13.585 -7.876 0.000) 15.703 22.629 ( 13.225 4.034 0.000) 13.827 ======================= Grid point 159 (54/60) ======================= q-point: ( 0.33 0.20 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -0.545 -5.565 0.000) 5.591 1.223 ( -1.401 -6.024 -0.000) 6.185 1.409 ( 0.039 4.132 0.000) 4.132 1.485 ( 1.419 5.146 0.000) 5.338 2.021 ( 13.781 -7.795 -0.000) 15.832 2.199 ( 8.865 -6.162 0.000) 10.797 2.293 ( 18.614 -12.265 0.000) 22.292 2.335 ( 17.467 -10.899 -0.000) 20.589 2.596 ( 5.018 -4.832 0.000) 6.966 2.614 ( 0.011 -1.043 -0.000) 1.043 2.621 ( 7.017 -3.892 -0.000) 8.024 2.723 ( 0.183 -1.198 0.000) 1.212 2.866 ( -12.026 -6.920 0.000) 13.875 2.958 ( -3.874 -8.532 -0.000) 9.370 3.210 ( 3.634 6.293 0.000) 7.267 3.329 ( 12.321 6.139 -0.000) 13.766 3.334 ( -1.558 2.014 0.000) 2.546 3.453 ( 1.954 -0.987 -0.000) 2.189 3.498 ( 6.263 -3.548 -0.000) 7.198 3.501 ( 11.983 1.011 0.000) 12.025 3.733 ( 1.739 1.027 -0.000) 2.019 3.790 ( 10.131 -3.134 0.000) 10.605 3.830 ( 4.949 -0.797 0.000) 5.013 3.916 ( 9.023 1.866 0.000) 9.214 4.175 ( 11.048 16.789 0.000) 20.097 4.182 ( -1.144 11.624 0.000) 11.680 4.388 ( -11.065 -0.714 -0.000) 11.088 4.446 ( -6.850 -4.501 -0.000) 8.196 4.496 ( 4.318 2.141 0.000) 4.819 4.520 ( -6.502 4.343 -0.000) 7.820 4.702 ( 7.587 9.459 -0.000) 12.126 4.887 ( -2.445 -0.559 0.000) 2.508 4.890 ( 4.028 4.503 -0.000) 6.042 5.020 ( -3.907 16.871 -0.000) 17.317 5.061 ( -4.341 5.027 0.000) 6.641 5.168 ( -10.470 -0.654 0.000) 10.491 5.678 ( -3.321 -5.306 0.000) 6.260 5.790 ( -7.288 -5.640 0.000) 9.215 5.897 ( -5.430 -2.331 0.000) 5.909 5.924 ( 1.880 4.918 -0.000) 5.265 5.985 ( -2.433 2.091 0.000) 3.208 6.136 ( 1.715 3.243 0.000) 3.668 6.346 ( -10.390 -7.262 -0.000) 12.677 6.411 ( 3.539 -8.362 0.000) 9.080 6.588 ( 6.008 -4.000 -0.000) 7.218 6.609 ( -6.806 3.203 0.000) 7.522 6.672 ( 2.836 -13.487 0.000) 13.782 6.901 ( 2.752 -4.933 0.000) 5.649 7.113 ( -0.431 1.504 0.000) 1.565 7.251 ( 3.690 9.752 0.000) 10.427 7.415 ( -2.502 -9.795 0.000) 10.109 7.550 ( 0.372 -3.136 0.000) 3.158 7.610 ( -1.844 -5.332 -0.000) 5.642 7.659 ( -0.648 -4.901 0.000) 4.943 7.742 ( -1.993 6.978 0.000) 7.257 7.909 ( -10.905 13.320 0.000) 17.215 8.065 ( 0.128 -6.242 0.000) 6.243 8.168 ( -3.462 -2.320 -0.000) 4.167 8.344 ( -3.428 3.410 0.000) 4.835 8.376 ( -3.557 5.413 -0.000) 6.477 8.499 ( -1.805 -2.006 -0.000) 2.698 8.584 ( -5.220 2.724 0.000) 5.888 8.995 ( -3.489 -2.491 -0.000) 4.287 9.057 ( -6.524 -0.239 0.000) 6.529 9.510 ( 5.601 -1.903 0.000) 5.915 9.539 ( 4.827 -0.237 0.000) 4.832 9.975 ( 17.727 1.524 0.000) 17.792 10.093 ( -1.150 -1.903 0.000) 2.224 10.113 ( -0.933 0.336 -0.000) 0.992 10.122 ( 20.070 2.666 0.000) 20.246 10.669 ( 6.646 -1.986 0.000) 6.936 10.822 ( 0.857 1.838 0.000) 2.028 11.142 ( 12.019 -1.494 -0.000) 12.112 11.142 ( 4.544 -1.985 0.000) 4.959 11.239 ( 9.838 3.118 0.000) 10.321 11.321 ( 4.614 5.252 0.000) 6.991 11.950 ( 4.120 0.658 0.000) 4.172 12.016 ( -1.109 2.541 -0.000) 2.773 12.274 ( 3.177 -1.604 -0.000) 3.558 12.319 ( 0.783 0.779 0.000) 1.104 12.392 ( 2.438 -2.337 0.000) 3.377 12.432 ( 0.186 -1.568 -0.000) 1.579 12.681 ( -8.070 -1.115 0.000) 8.147 12.761 ( -11.004 -0.392 0.000) 11.011 12.805 ( -11.453 0.750 0.000) 11.477 12.878 ( -13.191 2.002 -0.000) 13.342 12.972 ( -7.524 1.506 -0.000) 7.674 13.012 ( -12.552 1.903 0.000) 12.695 14.299 ( 8.223 0.995 0.000) 8.283 14.415 ( 11.155 4.412 -0.000) 11.996 14.753 ( 7.131 -3.491 -0.000) 7.940 14.820 ( 6.044 -2.758 0.000) 6.644 14.976 ( 8.542 0.110 0.000) 8.543 15.007 ( 14.288 1.957 -0.000) 14.421 15.455 ( -0.276 -3.179 -0.000) 3.191 15.517 ( 6.464 -0.269 0.000) 6.469 15.786 ( -3.530 -9.227 0.000) 9.879 15.943 ( -9.594 -2.835 0.000) 10.004 16.244 ( -8.696 -1.974 0.000) 8.917 16.437 ( -2.350 -3.872 0.000) 4.529 18.243 ( -15.019 14.092 0.000) 20.596 18.757 ( -15.376 29.219 0.000) 33.017 20.366 ( -9.054 -42.226 0.000) 43.186 20.398 ( -8.098 -26.532 0.000) 27.740 21.580 ( 6.530 17.233 0.000) 18.429 22.107 ( 6.031 26.631 0.000) 27.306 22.525 ( 6.318 -9.059 0.000) 11.045 22.832 ( 7.958 3.713 0.000) 8.782 ======================= Grid point 161 (55/60) ======================= q-point: ( 0.44 0.20 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.259 -5.640 0.000) 5.646 1.208 ( -0.368 -6.686 -0.000) 6.696 1.411 ( 0.110 4.905 0.000) 4.906 1.507 ( 0.717 7.226 0.000) 7.262 2.264 ( 10.214 -13.260 -0.000) 16.738 2.310 ( 3.519 -12.697 0.000) 13.176 2.531 ( 2.425 -0.892 0.000) 2.584 2.575 ( 1.525 -13.736 0.000) 13.821 2.589 ( 1.571 0.160 -0.000) 1.579 2.613 ( -8.356 -4.125 -0.000) 9.318 2.740 ( 0.835 -13.542 0.000) 13.567 2.756 ( 13.022 -5.201 0.000) 14.022 2.807 ( 12.107 -7.332 -0.000) 14.154 2.930 ( -0.309 -8.389 0.000) 8.395 3.097 ( -13.266 1.035 -0.000) 13.307 3.292 ( -11.721 4.949 0.000) 12.723 3.359 ( 5.378 13.563 0.000) 14.590 3.417 ( -0.101 6.504 0.000) 6.505 3.763 ( 5.395 -1.067 0.000) 5.499 3.787 ( 9.121 2.974 -0.000) 9.594 3.797 ( 8.759 -2.496 0.000) 9.108 3.807 ( 10.548 -2.291 0.000) 10.794 4.037 ( 9.126 -2.007 0.000) 9.344 4.091 ( -10.100 1.926 0.000) 10.282 4.093 ( -9.760 -1.019 -0.000) 9.813 4.193 ( 6.812 -1.820 -0.000) 7.051 4.336 ( -0.752 7.294 0.000) 7.332 4.341 ( -1.206 1.069 -0.000) 1.612 4.412 ( -4.790 8.449 0.000) 9.712 4.610 ( 6.574 8.260 -0.000) 10.557 4.780 ( -1.638 1.526 -0.000) 2.239 4.853 ( 1.620 2.195 -0.000) 2.728 4.860 ( -6.258 5.696 0.000) 8.462 4.976 ( -1.687 7.423 -0.000) 7.612 5.017 ( -0.671 9.606 -0.000) 9.630 5.061 ( 1.048 16.950 0.000) 16.982 5.627 ( -1.853 -0.873 0.000) 2.048 5.692 ( -2.250 -14.614 0.000) 14.787 5.796 ( -3.427 -1.684 0.000) 3.818 5.917 ( -3.641 3.086 0.000) 4.773 5.928 ( -0.615 10.202 -0.000) 10.220 6.208 ( -3.467 -6.579 0.000) 7.437 6.225 ( 6.287 0.569 -0.000) 6.313 6.403 ( -8.507 8.950 0.000) 12.348 6.502 ( 2.847 -6.192 0.000) 6.815 6.691 ( 3.641 -0.724 0.000) 3.712 6.789 ( 4.522 -16.232 0.000) 16.850 6.925 ( 0.141 -7.335 0.000) 7.336 7.085 ( -2.032 -2.770 0.000) 3.436 7.324 ( 2.964 11.148 0.000) 11.535 7.366 ( -1.851 -9.474 0.000) 9.653 7.511 ( -3.187 -3.250 0.000) 4.552 7.570 ( -1.696 -5.286 0.000) 5.552 7.635 ( -0.349 1.215 0.000) 1.264 7.705 ( -1.341 4.599 0.000) 4.791 7.797 ( -1.810 6.600 0.000) 6.843 8.063 ( -0.322 -6.042 0.000) 6.051 8.157 ( 2.461 -3.358 -0.000) 4.163 8.248 ( -5.785 -0.493 -0.000) 5.806 8.270 ( -3.709 -0.854 0.000) 3.806 8.538 ( -0.562 1.514 0.000) 1.614 8.608 ( 9.355 3.315 -0.000) 9.925 8.852 ( -12.133 -2.424 -0.000) 12.373 8.902 ( -3.726 -1.086 0.000) 3.881 9.640 ( 6.283 1.191 0.000) 6.395 9.674 ( 7.018 2.438 0.000) 7.429 9.910 ( -6.435 -1.753 0.000) 6.670 9.936 ( -7.586 -1.681 -0.000) 7.770 10.315 ( 7.512 1.084 0.000) 7.589 10.506 ( 10.340 8.613 0.000) 13.457 10.748 ( 2.531 -7.913 0.000) 8.308 10.858 ( 2.114 -1.569 0.000) 2.633 11.262 ( 4.854 -4.311 0.000) 6.493 11.329 ( 6.619 -0.900 0.000) 6.680 11.381 ( 1.532 5.434 0.000) 5.646 11.431 ( 6.798 4.084 0.000) 7.931 11.960 ( -3.465 2.490 0.000) 4.267 12.047 ( 5.600 5.041 -0.000) 7.535 12.302 ( -3.312 -0.519 -0.000) 3.352 12.357 ( 5.783 2.233 -0.000) 6.199 12.443 ( -0.945 1.355 0.000) 1.653 12.455 ( 3.808 1.306 -0.000) 4.026 12.521 ( -6.960 -2.655 0.000) 7.449 12.565 ( -7.627 0.243 -0.000) 7.631 12.625 ( -9.057 -0.649 -0.000) 9.080 12.649 ( -2.803 -0.134 0.000) 2.807 12.781 ( -9.586 -0.934 0.000) 9.632 12.877 ( -2.871 0.354 0.000) 2.893 14.423 ( 3.891 1.035 0.000) 4.026 14.590 ( 5.801 6.396 -0.000) 8.635 14.869 ( 3.926 -3.537 -0.000) 5.284 14.915 ( 2.870 -3.170 0.000) 4.276 15.062 ( 1.375 -0.927 -0.000) 1.659 15.203 ( 7.788 3.487 0.000) 8.533 15.381 ( -7.676 -6.640 -0.000) 10.149 15.650 ( 6.205 1.626 0.000) 6.414 15.775 ( -7.110 -1.243 -0.000) 7.218 15.848 ( 9.314 -2.957 0.000) 9.772 16.065 ( -10.038 -6.202 0.000) 11.800 16.404 ( -0.988 -5.088 0.000) 5.183 18.059 ( -4.633 14.442 0.000) 15.167 18.561 ( -5.138 29.015 0.000) 29.466 20.244 ( -3.365 -42.224 0.000) 42.358 20.285 ( -3.219 -28.116 0.000) 28.300 21.662 ( 2.171 16.166 0.000) 16.311 22.197 ( 2.848 29.824 0.000) 29.960 22.591 ( 1.268 -12.384 0.000) 12.449 22.931 ( 2.526 3.609 0.000) 4.405 ======================= Grid point 171 (56/60) ======================= q-point: ( 0.00 0.40 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 0.000 -15.094 -13.361) 20.158 1.236 ( 0.000 -15.094 13.361) 20.158 1.374 ( 0.000 2.497 -1.587) 2.959 1.374 ( 0.000 2.497 1.587) 2.959 1.538 ( 0.000 0.713 -4.323) 4.382 1.538 ( 0.000 0.713 4.323) 4.382 1.612 ( 0.000 -3.731 -1.935) 4.203 1.612 ( 0.000 -3.731 1.935) 4.203 1.978 ( 0.000 2.979 -2.378) 3.812 1.978 ( 0.000 2.979 2.378) 3.812 2.407 ( 0.000 0.638 -0.087) 0.643 2.407 ( 0.000 0.638 0.087) 0.643 2.702 ( 0.000 7.004 -1.589) 7.182 2.702 ( 0.000 7.004 1.589) 7.182 3.222 ( 0.000 4.436 -1.740) 4.765 3.222 ( 0.000 4.436 1.740) 4.765 3.281 ( 0.000 -1.875 -0.418) 1.921 3.281 ( 0.000 -1.875 0.418) 1.921 3.480 ( 0.000 0.304 -1.829) 1.854 3.480 ( 0.000 0.304 1.829) 1.854 3.585 ( 0.000 -4.114 -10.128) 10.931 3.585 ( 0.000 -4.114 10.128) 10.931 3.846 ( 0.000 -0.366 -2.327) 2.356 3.846 ( 0.000 -0.366 2.327) 2.356 4.232 ( 0.000 6.013 -5.107) 7.889 4.232 ( 0.000 6.013 5.107) 7.889 4.517 ( 0.000 -1.350 -3.060) 3.344 4.517 ( 0.000 -1.350 3.060) 3.344 4.658 ( 0.000 -0.909 -5.014) 5.096 4.658 ( 0.000 -0.909 5.014) 5.096 4.722 ( 0.000 -4.165 -0.191) 4.169 4.722 ( 0.000 -4.165 0.191) 4.169 5.190 ( 0.000 -1.922 -0.008) 1.922 5.190 ( 0.000 -1.922 0.008) 1.922 5.372 ( 0.000 13.716 -7.513) 15.638 5.372 ( 0.000 13.716 7.513) 15.638 5.761 ( 0.000 -1.631 -0.308) 1.659 5.761 ( 0.000 -1.631 0.308) 1.659 5.879 ( 0.000 -9.716 -1.188) 9.788 5.879 ( 0.000 -9.716 1.188) 9.788 6.119 ( 0.000 -5.591 -9.073) 10.657 6.119 ( 0.000 -5.591 9.073) 10.657 6.235 ( 0.000 4.211 -2.229) 4.765 6.235 ( 0.000 4.211 2.229) 4.765 6.376 ( 0.000 -8.276 -4.961) 9.649 6.376 ( 0.000 -8.276 4.961) 9.649 6.960 ( 0.000 -0.364 -0.548) 0.658 6.960 ( 0.000 -0.364 0.548) 0.658 7.076 ( 0.000 4.459 -0.522) 4.489 7.076 ( 0.000 4.459 0.522) 4.489 7.176 ( 0.000 -4.110 -2.451) 4.785 7.176 ( 0.000 -4.110 2.451) 4.785 7.399 ( 0.000 -0.103 -1.336) 1.340 7.399 ( 0.000 -0.103 1.336) 1.340 7.841 ( 0.000 2.708 -2.161) 3.464 7.841 ( 0.000 2.708 2.161) 3.464 7.968 ( 0.000 -1.031 -2.024) 2.271 7.968 ( 0.000 -1.031 2.024) 2.271 8.343 ( 0.000 -0.031 -0.325) 0.326 8.343 ( 0.000 -0.031 0.325) 0.326 8.951 ( 0.000 13.252 -3.270) 13.649 8.951 ( 0.000 13.252 3.270) 13.649 9.034 ( 0.000 3.851 -0.637) 3.904 9.034 ( 0.000 3.851 0.637) 3.904 9.404 ( 0.000 -6.884 -2.161) 7.215 9.404 ( 0.000 -6.884 2.161) 7.215 9.698 ( 0.000 5.361 -0.506) 5.385 9.698 ( 0.000 5.361 0.506) 5.385 9.921 ( 0.000 -4.419 -3.624) 5.715 9.921 ( 0.000 -4.419 3.624) 5.715 10.316 ( 0.000 -0.613 -2.597) 2.669 10.316 ( 0.000 -0.613 2.597) 2.669 11.044 ( 0.000 -0.621 -1.929) 2.027 11.044 ( 0.000 -0.621 1.929) 2.027 11.710 ( 0.000 -1.705 -0.494) 1.775 11.710 ( 0.000 -1.705 0.494) 1.775 11.874 ( 0.000 -1.830 -1.711) 2.505 11.874 ( 0.000 -1.830 1.711) 2.505 12.110 ( 0.000 0.352 -0.011) 0.352 12.110 ( 0.000 0.352 0.011) 0.352 12.450 ( 0.000 -0.750 -2.286) 2.406 12.450 ( 0.000 -0.750 2.286) 2.406 12.875 ( 0.000 0.855 -0.744) 1.133 12.875 ( 0.000 0.855 0.744) 1.133 12.967 ( 0.000 0.007 -1.546) 1.546 12.967 ( 0.000 0.007 1.546) 1.546 13.233 ( 0.000 2.964 -0.999) 3.128 13.233 ( 0.000 2.964 0.999) 3.128 13.886 ( 0.000 -1.535 -1.540) 2.174 13.886 ( 0.000 -1.535 1.540) 2.174 14.703 ( 0.000 1.646 -1.068) 1.962 14.703 ( 0.000 1.646 1.068) 1.962 14.731 ( 0.000 -0.957 -0.606) 1.133 14.731 ( 0.000 -0.957 0.606) 1.133 15.392 ( 0.000 2.204 -7.025) 7.362 15.392 ( 0.000 2.204 7.025) 7.362 15.892 ( 0.000 -7.188 -6.202) 9.494 15.892 ( 0.000 -7.188 6.202) 9.494 16.549 ( 0.000 0.717 -0.315) 0.783 16.549 ( 0.000 0.717 0.315) 0.783 19.889 ( 0.000 3.682 -0.558) 3.724 19.889 ( 0.000 3.682 0.558) 3.724 20.384 ( 0.000 -2.312 -0.315) 2.334 20.384 ( 0.000 -2.312 0.315) 2.334 21.630 ( 0.000 0.598 -0.728) 0.942 21.630 ( 0.000 0.598 0.728) 0.942 22.185 ( 0.000 3.418 -2.106) 4.015 22.185 ( 0.000 3.418 2.106) 4.015 ======================= Grid point 173 (57/60) ======================= q-point: ( 0.11 0.40 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -2.007 -7.246 0.000) 7.519 1.285 ( -2.338 -10.965 -0.000) 11.212 1.354 ( 2.857 -5.014 0.000) 5.771 1.371 ( 3.660 -8.196 -0.000) 8.976 1.477 ( -2.505 0.943 -0.000) 2.677 1.507 ( -1.143 -1.570 0.000) 1.942 1.682 ( 11.474 8.012 0.000) 13.995 1.823 ( 13.466 -6.866 0.000) 15.115 2.141 ( 17.450 8.140 0.000) 19.255 2.235 ( 20.733 -1.902 0.000) 20.820 2.464 ( 4.606 2.396 0.000) 5.192 2.488 ( 5.976 0.590 0.000) 6.005 2.782 ( 9.765 7.146 0.000) 12.101 2.841 ( 12.863 0.802 0.000) 12.888 3.174 ( -4.558 1.515 0.000) 4.803 3.199 ( -9.946 -1.333 -0.000) 10.034 3.240 ( -0.182 6.221 0.000) 6.224 3.267 ( -6.131 -2.028 0.000) 6.458 3.279 ( -8.282 -3.433 -0.000) 8.965 3.315 ( -1.289 -2.307 0.000) 2.643 3.590 ( -2.156 -0.492 -0.000) 2.212 3.681 ( 0.525 -7.791 0.000) 7.809 3.944 ( 7.304 6.209 0.000) 9.586 3.970 ( 10.888 5.449 0.000) 12.175 4.158 ( -3.276 8.680 -0.000) 9.278 4.301 ( 3.821 1.140 0.000) 3.987 4.475 ( -0.821 -2.618 -0.000) 2.744 4.521 ( -1.068 -1.410 0.000) 1.769 4.621 ( -2.194 -2.936 0.000) 3.665 4.649 ( -4.872 -3.696 0.000) 6.115 4.716 ( 3.902 0.370 0.000) 3.919 4.761 ( 1.465 0.188 -0.000) 1.477 5.032 ( -8.974 5.332 -0.000) 10.438 5.202 ( -4.305 -13.074 0.000) 13.765 5.362 ( -1.151 13.572 -0.000) 13.621 5.402 ( 1.848 15.064 0.000) 15.177 5.730 ( -1.470 0.854 0.000) 1.700 5.797 ( -0.400 -4.196 -0.000) 4.215 5.850 ( 0.634 -6.155 -0.000) 6.188 5.877 ( 1.154 -10.139 -0.000) 10.205 6.133 ( 1.590 -4.496 -0.000) 4.768 6.159 ( 2.924 -8.458 0.000) 8.949 6.198 ( -4.546 8.244 0.000) 9.414 6.203 ( 0.634 3.663 -0.000) 3.718 6.416 ( -1.101 -7.729 0.000) 7.807 6.432 ( 1.033 -11.323 0.000) 11.370 7.024 ( -0.271 4.528 0.000) 4.536 7.034 ( -1.233 4.052 -0.000) 4.236 7.096 ( 1.250 -4.166 -0.000) 4.349 7.110 ( 2.506 -4.371 0.000) 5.038 7.299 ( 10.910 3.637 0.000) 11.500 7.356 ( 6.142 -3.294 0.000) 6.969 7.536 ( 16.550 1.098 -0.000) 16.587 7.545 ( 12.888 0.861 0.000) 12.917 7.760 ( 6.812 -0.781 0.000) 6.856 7.762 ( -2.307 -0.644 0.000) 2.395 8.070 ( 10.921 2.374 0.000) 11.176 8.119 ( 13.662 -2.301 0.000) 13.855 8.381 ( 3.933 1.951 0.000) 4.391 8.415 ( 4.942 -1.588 0.000) 5.191 8.809 ( -15.487 9.471 0.000) 18.153 8.842 ( -9.589 5.156 0.000) 10.887 9.004 ( 2.974 8.577 0.000) 9.078 9.087 ( 1.466 2.718 0.000) 3.088 9.263 ( -8.538 3.240 0.000) 9.132 9.311 ( -6.129 -2.344 0.000) 6.562 9.618 ( -4.167 0.508 0.000) 4.198 9.697 ( -2.538 -6.456 0.000) 6.937 10.080 ( 13.293 0.603 0.000) 13.307 10.086 ( 8.181 -1.213 0.000) 8.271 10.351 ( 2.847 -0.445 0.000) 2.882 10.379 ( 9.767 -1.304 -0.000) 9.853 11.043 ( 1.656 2.078 0.000) 2.658 11.092 ( 4.086 -1.942 -0.000) 4.524 11.502 ( -18.883 0.929 0.000) 18.906 11.549 ( -16.890 -3.575 0.000) 17.264 11.895 ( -2.819 3.492 0.000) 4.488 11.910 ( 5.537 1.158 -0.000) 5.657 12.032 ( 5.717 -2.662 0.000) 6.306 12.093 ( -2.354 -7.575 -0.000) 7.932 12.457 ( -2.181 0.529 0.000) 2.244 12.460 ( -0.002 0.296 0.000) 0.296 12.891 ( 1.178 2.823 0.000) 3.059 12.935 ( 2.765 -1.795 0.000) 3.297 13.054 ( 5.527 0.812 -0.000) 5.586 13.062 ( 6.457 0.195 0.000) 6.460 13.213 ( -1.982 3.101 0.000) 3.680 13.223 ( -1.020 1.895 0.000) 2.152 13.958 ( 7.917 -0.462 -0.000) 7.930 13.974 ( 8.918 -1.966 0.000) 9.132 14.654 ( -1.708 2.295 0.000) 2.861 14.681 ( -3.368 2.706 -0.000) 4.320 14.698 ( -0.581 -2.156 -0.000) 2.233 14.727 ( -1.582 -1.903 0.000) 2.474 15.370 ( 0.367 2.151 -0.000) 2.182 15.414 ( 0.267 -1.593 0.000) 1.615 15.847 ( -1.744 -0.829 0.000) 1.932 15.951 ( 1.671 -10.236 0.000) 10.372 16.511 ( -3.711 1.060 0.000) 3.860 16.524 ( -2.967 -0.260 0.000) 2.978 19.516 ( -23.736 22.143 0.000) 32.461 19.914 ( -9.689 -6.370 0.000) 11.595 20.130 ( -17.232 -3.254 0.000) 17.537 20.361 ( -8.580 -14.882 0.000) 17.178 21.612 ( 5.889 13.883 0.000) 15.080 21.847 ( 11.863 -11.449 0.000) 16.486 22.239 ( 9.653 12.750 0.000) 15.992 22.376 ( 13.460 -2.454 0.000) 13.682 ======================= Grid point 175 (58/60) ======================= q-point: ( 0.22 0.40 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -3.775 -2.797 0.000) 4.698 1.176 ( -4.854 -4.890 -0.000) 6.890 1.457 ( 1.908 1.007 0.000) 2.157 1.470 ( 3.886 -1.977 0.000) 4.360 1.619 ( 16.790 -9.140 -9.487) 21.341 1.619 ( 16.776 -9.074 9.486) 21.302 1.885 ( 8.950 5.707 0.000) 10.615 2.022 ( 6.480 -6.918 0.000) 9.479 2.479 ( 13.530 7.304 0.000) 15.375 2.542 ( 3.328 2.129 0.000) 3.951 2.592 ( 4.284 1.295 0.000) 4.475 2.620 ( 14.475 -2.530 0.000) 14.695 2.943 ( -7.457 -3.901 0.000) 8.415 2.947 ( -10.541 -4.553 -0.000) 11.482 3.076 ( 11.359 2.686 0.000) 11.672 3.128 ( 13.814 -3.166 -0.000) 14.172 3.234 ( 3.379 0.355 0.000) 3.398 3.254 ( 6.393 -1.367 -0.000) 6.537 3.362 ( 5.135 0.518 0.000) 5.161 3.384 ( 12.956 0.557 0.000) 12.968 3.514 ( -4.536 2.819 -0.000) 5.341 3.656 ( -1.825 -9.495 0.000) 9.668 3.993 ( -2.400 10.377 0.000) 10.651 4.090 ( -4.546 4.314 -0.000) 6.267 4.203 ( 12.430 13.692 0.000) 18.493 4.380 ( 3.825 6.089 -0.000) 7.190 4.525 ( 3.170 3.662 -0.000) 4.843 4.535 ( 4.438 -5.595 0.000) 7.141 4.539 ( -6.873 -2.023 -0.000) 7.165 4.561 ( -3.880 -3.831 0.000) 5.453 4.757 ( -1.070 8.153 0.000) 8.222 4.802 ( 4.854 -1.155 0.000) 4.990 4.910 ( -2.770 0.462 -0.000) 2.808 5.081 ( -7.635 -15.199 0.000) 17.009 5.313 ( -3.912 12.747 -0.000) 13.334 5.401 ( -1.428 9.062 0.000) 9.174 5.679 ( -4.576 1.923 0.000) 4.964 5.813 ( 3.440 -2.884 -0.000) 4.489 5.874 ( 0.826 -5.958 0.000) 6.015 5.936 ( 4.489 -6.288 0.000) 7.726 6.060 ( -7.711 8.754 0.000) 11.666 6.173 ( 1.918 -5.833 -0.000) 6.140 6.212 ( -1.278 5.724 -0.000) 5.865 6.267 ( 5.805 -4.090 0.000) 7.101 6.376 ( 0.638 -10.294 0.000) 10.314 6.402 ( -2.536 -11.900 0.000) 12.167 6.912 ( -9.554 1.537 0.000) 9.677 6.923 ( -12.444 1.349 -0.000) 12.517 7.119 ( 2.697 1.448 0.000) 3.061 7.174 ( 5.876 -3.294 0.000) 6.736 7.384 ( 0.844 1.532 0.000) 1.750 7.439 ( 2.808 -4.478 0.000) 5.285 7.585 ( 0.458 0.360 0.000) 0.582 7.594 ( -1.786 -0.794 0.000) 1.954 7.878 ( 3.331 5.600 0.000) 6.516 7.953 ( 4.308 -2.501 0.000) 4.982 8.292 ( 0.598 6.492 0.000) 6.520 8.414 ( -3.094 -2.743 0.000) 4.135 8.440 ( 0.487 1.978 0.000) 2.037 8.463 ( -4.006 5.145 -0.000) 6.521 8.524 ( -3.527 1.801 -0.000) 3.960 8.677 ( -5.401 -5.843 0.000) 7.957 9.056 ( -2.971 5.891 0.000) 6.598 9.109 ( 1.107 1.265 0.000) 1.681 9.253 ( 14.855 4.719 0.000) 15.587 9.374 ( 8.825 -7.485 0.000) 11.572 9.666 ( 16.218 3.664 -0.000) 16.626 9.702 ( 8.485 -0.835 0.000) 8.526 10.123 ( -2.646 0.043 0.000) 2.646 10.180 ( -3.565 -5.198 0.000) 6.303 10.524 ( 14.224 6.989 0.000) 15.848 10.666 ( 16.290 -6.029 0.000) 17.369 11.114 ( -1.434 7.357 -0.000) 7.496 11.163 ( -5.544 0.456 0.000) 5.562 11.174 ( -5.105 -0.143 -0.000) 5.107 11.248 ( -1.198 -5.291 0.000) 5.425 11.915 ( 3.600 4.765 0.000) 5.972 12.004 ( 3.828 -2.152 0.000) 4.391 12.128 ( 5.064 -2.444 0.000) 5.623 12.166 ( 7.197 -4.697 -0.000) 8.594 12.403 ( -2.813 1.068 0.000) 3.009 12.426 ( -2.626 -1.417 0.000) 2.984 12.854 ( -5.569 3.181 0.000) 6.414 12.905 ( -5.982 -2.246 0.000) 6.390 13.048 ( -6.934 3.221 0.000) 7.646 13.094 ( -5.086 -0.665 0.000) 5.129 13.146 ( -5.177 3.154 -0.000) 6.063 13.189 ( -4.028 -0.768 0.000) 4.101 14.159 ( 11.892 2.314 0.000) 12.115 14.201 ( 13.713 -1.500 0.000) 13.795 14.640 ( 0.390 1.540 -0.000) 1.589 14.684 ( 1.526 -2.054 0.000) 2.559 14.745 ( 9.318 0.019 0.000) 9.318 14.769 ( 9.207 -1.769 -0.000) 9.376 15.404 ( 3.029 -0.375 -0.000) 3.052 15.417 ( 0.287 -1.800 0.000) 1.823 15.797 ( -3.995 2.328 0.000) 4.624 15.931 ( -3.796 -10.368 0.000) 11.041 16.409 ( -7.012 1.327 0.000) 7.136 16.440 ( -5.718 -2.203 0.000) 6.127 19.075 ( -21.136 32.273 0.000) 38.578 19.617 ( -18.249 14.061 0.000) 23.037 19.806 ( -16.080 -28.061 0.000) 32.341 20.128 ( -14.125 -23.935 0.000) 27.792 21.772 ( 9.036 17.125 0.000) 19.363 22.047 ( 9.335 -12.058 0.000) 15.249 22.461 ( 11.289 14.172 0.000) 18.118 22.633 ( 12.368 -4.192 0.000) 13.059 ======================= Grid point 177 (59/60) ======================= q-point: ( 0.33 0.40 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -0.375 -2.620 0.000) 2.647 1.124 ( -1.052 -3.784 -0.000) 3.928 1.492 ( 1.571 4.217 0.000) 4.500 1.536 ( 3.384 -0.044 0.000) 3.385 1.942 ( 11.612 -0.720 -0.000) 11.635 2.015 ( 21.608 -9.469 0.000) 23.592 2.080 ( 15.307 -9.321 -0.001) 17.922 2.083 ( 0.817 -7.542 0.001) 7.586 2.578 ( 0.677 1.278 -0.000) 1.446 2.596 ( 1.642 -0.164 0.000) 1.651 2.623 ( -0.991 2.348 0.000) 2.549 2.707 ( -3.818 -4.124 0.000) 5.620 2.760 ( -5.491 -1.018 -0.000) 5.585 2.818 ( -3.199 -5.724 0.000) 6.557 3.326 ( 3.488 5.708 0.000) 6.689 3.382 ( 11.383 0.308 -0.000) 11.387 3.391 ( -0.371 3.020 0.000) 3.043 3.431 ( 4.117 -1.001 0.000) 4.237 3.456 ( 16.896 -0.869 0.000) 16.918 3.483 ( 12.465 -3.453 0.000) 12.935 3.687 ( 7.060 -2.401 0.000) 7.457 3.706 ( 15.074 -3.954 -0.000) 15.584 3.920 ( -2.356 6.594 0.000) 7.002 3.974 ( -6.316 1.466 0.000) 6.484 4.363 ( -6.123 2.647 -0.000) 6.671 4.365 ( -7.858 2.211 0.000) 8.163 4.402 ( 0.950 4.309 0.000) 4.412 4.473 ( -9.259 5.869 -0.000) 10.963 4.552 ( 5.901 4.455 0.000) 7.394 4.654 ( 7.852 9.670 0.000) 12.456 4.843 ( 6.635 2.007 -0.000) 6.932 4.875 ( -1.809 1.568 0.000) 2.394 4.888 ( 3.739 -6.453 -0.000) 7.458 4.949 ( -3.945 -10.269 0.000) 11.001 5.241 ( -2.999 12.060 -0.000) 12.427 5.398 ( 2.422 8.064 0.000) 8.420 5.553 ( -8.090 1.495 0.000) 8.227 5.801 ( -3.609 -10.512 0.000) 11.114 5.896 ( -7.693 11.056 0.000) 13.469 5.974 ( 6.089 0.762 0.000) 6.137 6.023 ( 1.707 1.711 0.000) 2.417 6.124 ( -2.578 -7.071 -0.000) 7.527 6.268 ( -4.893 0.209 0.000) 4.898 6.284 ( 8.800 0.639 0.000) 8.823 6.444 ( 3.373 -8.173 -0.000) 8.841 6.468 ( 9.211 -7.203 0.000) 11.693 6.670 ( -11.094 0.925 0.000) 11.132 6.752 ( -5.666 -8.960 0.000) 10.601 7.127 ( -4.028 2.577 0.000) 4.782 7.236 ( -1.887 -7.957 0.000) 8.178 7.405 ( 3.457 5.077 0.000) 6.142 7.477 ( 1.885 -3.542 0.000) 4.012 7.577 ( -0.378 1.478 0.000) 1.526 7.610 ( 1.784 -1.438 0.000) 2.291 7.875 ( -2.994 6.576 0.000) 7.226 7.975 ( -2.166 -4.478 0.000) 4.975 8.115 ( -13.224 7.521 0.000) 15.213 8.162 ( -7.800 0.727 0.000) 7.834 8.361 ( -7.359 -0.507 -0.000) 7.376 8.383 ( -9.687 -3.177 0.000) 10.195 8.531 ( 4.028 4.881 0.000) 6.328 8.603 ( -2.294 -1.671 0.000) 2.838 8.973 ( -6.127 0.894 -0.000) 6.192 9.021 ( -8.758 -3.245 0.000) 9.340 9.503 ( 10.198 1.245 0.000) 10.274 9.530 ( 9.123 -0.988 0.000) 9.177 10.014 ( -2.520 1.613 0.000) 2.992 10.055 ( -8.183 -3.258 0.000) 8.808 10.096 ( 18.704 2.784 -0.000) 18.910 10.153 ( 26.232 -1.799 0.000) 26.293 10.712 ( 3.594 5.765 0.000) 6.793 10.812 ( -0.699 -3.324 0.000) 3.396 11.092 ( 9.205 -2.038 0.000) 9.428 11.096 ( 4.190 -2.118 0.000) 4.695 11.333 ( 11.053 4.916 0.000) 12.097 11.380 ( 7.109 0.313 0.000) 7.116 12.002 ( 5.159 4.236 0.000) 6.676 12.052 ( 0.967 0.219 0.000) 0.991 12.249 ( 7.808 -0.008 0.000) 7.808 12.298 ( 6.745 -3.653 0.000) 7.671 12.367 ( -0.440 0.445 0.000) 0.626 12.390 ( -0.620 -1.956 0.000) 2.052 12.701 ( -9.619 2.277 0.000) 9.885 12.741 ( -10.239 -1.733 0.000) 10.385 12.831 ( -14.092 1.907 -0.000) 14.220 12.869 ( -16.042 -1.897 0.000) 16.154 13.017 ( -8.539 2.198 -0.000) 8.817 13.035 ( -11.370 0.317 0.000) 11.374 14.377 ( 10.596 6.703 0.000) 12.538 14.465 ( 13.806 -0.401 0.000) 13.812 14.696 ( 4.899 -2.109 -0.000) 5.334 14.722 ( 3.028 -5.647 0.000) 6.408 14.986 ( 9.633 1.106 0.000) 9.696 15.014 ( 13.071 -1.368 0.000) 13.143 15.448 ( 4.154 3.015 -0.000) 5.133 15.500 ( 7.935 -1.660 -0.000) 8.107 15.702 ( -4.950 1.150 0.000) 5.082 15.821 ( -7.038 -9.375 0.000) 11.723 16.253 ( -9.010 2.089 0.000) 9.249 16.320 ( -6.421 -5.577 0.000) 8.504 18.745 ( -13.239 36.726 0.000) 39.039 19.305 ( -13.490 25.890 0.000) 29.194 19.539 ( -11.497 -40.839 0.000) 42.426 19.876 ( -11.409 -29.151 0.000) 31.304 21.920 ( 6.233 17.663 0.000) 18.730 22.207 ( 7.386 -12.308 0.000) 14.354 22.622 ( 5.432 15.392 0.000) 16.322 22.821 ( 7.272 -5.449 0.000) 9.087 ======================= Grid point 179 (60/60) ======================= q-point: ( 0.44 0.40 -0.50) 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 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -0.039 -2.683 0.000) 2.684 1.117 ( 0.395 -2.550 -0.000) 2.580 1.511 ( 0.507 6.065 0.000) 6.086 1.587 ( 1.597 0.059 0.000) 1.598 2.071 ( 3.639 -6.157 0.000) 7.152 2.082 ( -0.296 -8.257 -0.000) 8.262 2.307 ( 6.697 -9.402 0.000) 11.543 2.331 ( 5.911 -11.983 -0.000) 13.361 2.591 ( 0.993 3.079 0.000) 3.235 2.596 ( -0.904 0.125 0.000) 0.913 2.621 ( -2.409 -1.537 0.000) 2.857 2.677 ( 7.324 -3.879 0.000) 8.288 2.754 ( 3.421 -1.105 -0.000) 3.595 2.781 ( -1.528 -5.133 0.000) 5.356 3.212 ( -6.833 8.564 0.000) 10.956 3.339 ( -6.253 -2.619 0.000) 6.779 3.493 ( 0.443 3.659 -0.000) 3.686 3.549 ( 9.613 1.467 0.000) 9.724 3.737 ( -4.134 1.699 0.000) 4.470 3.762 ( 10.196 -1.506 0.000) 10.306 3.806 ( 13.090 2.845 -0.000) 13.395 3.842 ( 8.820 1.427 0.000) 8.934 3.995 ( 6.863 0.003 0.000) 6.863 4.044 ( 7.834 -4.827 0.000) 9.202 4.147 ( -9.539 0.747 0.000) 9.568 4.172 ( -9.266 2.110 0.000) 9.503 4.276 ( -10.194 -0.834 0.000) 10.228 4.351 ( -8.601 -4.223 0.000) 9.582 4.689 ( 6.657 12.456 0.000) 14.124 4.743 ( 2.717 2.990 -0.000) 4.040 4.799 ( -4.281 3.254 0.000) 5.377 4.930 ( 0.268 -1.563 0.000) 1.586 4.949 ( 2.740 4.913 -0.000) 5.625 4.985 ( 4.496 -2.155 0.000) 4.986 5.199 ( -1.506 10.249 -0.000) 10.359 5.403 ( -5.567 -7.511 0.000) 9.350 5.504 ( 6.091 15.709 0.000) 16.848 5.741 ( -1.957 -6.383 0.000) 6.677 5.790 ( -2.566 15.809 0.000) 16.015 5.953 ( -6.838 3.925 0.000) 7.884 6.018 ( 0.783 -4.256 0.000) 4.327 6.121 ( 0.323 -9.866 0.000) 9.872 6.222 ( 0.083 7.831 0.000) 7.831 6.389 ( -5.126 -2.358 0.000) 5.642 6.499 ( 7.961 -4.701 -0.000) 9.246 6.648 ( 7.548 -2.165 0.000) 7.853 6.662 ( 10.480 2.366 0.000) 10.744 6.699 ( -0.843 -15.366 0.000) 15.389 6.945 ( -14.110 -0.939 0.000) 14.141 7.139 ( -5.465 -14.370 0.000) 15.374 7.479 ( 2.664 4.989 0.000) 5.655 7.509 ( 0.996 1.053 -0.000) 1.449 7.574 ( -0.029 4.297 0.000) 4.297 7.639 ( 0.917 -1.585 0.000) 1.831 7.794 ( -3.646 4.557 0.000) 5.836 7.858 ( -4.876 -1.340 0.000) 5.057 8.027 ( -0.397 2.684 0.000) 2.713 8.095 ( 0.110 -3.512 0.000) 3.514 8.227 ( -5.232 -1.037 -0.000) 5.334 8.235 ( -4.585 -1.927 0.000) 4.974 8.580 ( -0.507 2.709 0.000) 2.756 8.625 ( 5.552 -1.477 0.000) 5.745 8.837 ( -8.775 0.876 0.000) 8.818 8.869 ( -3.484 -2.116 0.000) 4.076 9.682 ( 8.115 2.911 0.000) 8.621 9.711 ( 9.278 0.630 -0.000) 9.299 9.884 ( -7.208 -0.957 0.000) 7.271 9.892 ( -8.699 -2.169 0.000) 8.965 10.385 ( 7.722 5.996 0.000) 9.777 10.519 ( 10.868 -7.427 0.000) 13.163 10.734 ( 0.127 6.230 0.000) 6.231 10.821 ( 1.461 -2.811 0.000) 3.168 11.214 ( 4.681 -0.071 0.000) 4.681 11.265 ( 6.487 -4.651 0.000) 7.982 11.466 ( 1.789 2.869 0.000) 3.381 11.482 ( 3.500 1.035 0.000) 3.650 12.057 ( 0.315 6.476 0.000) 6.484 12.122 ( 8.363 1.118 0.000) 8.438 12.308 ( -7.085 2.068 -0.000) 7.381 12.390 ( -1.515 -5.272 0.000) 5.485 12.404 ( 6.545 2.354 0.000) 6.955 12.449 ( 5.633 -1.839 0.000) 5.926 12.536 ( -5.282 2.972 0.000) 6.060 12.573 ( -4.293 -0.255 0.000) 4.301 12.615 ( -7.319 0.046 -0.000) 7.319 12.633 ( -2.226 -1.261 0.000) 2.559 12.799 ( -12.330 2.253 0.000) 12.534 12.849 ( -7.614 -2.753 0.000) 8.096 14.529 ( 4.422 10.024 0.000) 10.956 14.689 ( 7.989 2.557 0.000) 8.388 14.776 ( 1.778 -9.705 -0.000) 9.866 14.796 ( 4.261 -4.202 0.000) 5.984 15.067 ( 0.441 1.478 0.000) 1.543 15.125 ( 0.659 -5.267 0.000) 5.309 15.491 ( -2.132 12.489 0.000) 12.669 15.668 ( 5.776 1.552 0.000) 5.980 15.704 ( -3.167 -8.060 -0.000) 8.660 15.734 ( 8.342 -5.760 0.000) 10.137 16.083 ( -7.904 4.725 0.000) 9.208 16.218 ( -3.457 -10.435 0.000) 10.993 18.578 ( -4.380 38.155 0.000) 38.406 19.129 ( -4.753 31.162 0.000) 31.522 19.386 ( -4.190 -46.503 0.000) 46.692 19.722 ( -4.321 -31.678 0.000) 31.971 22.002 ( 2.233 18.311 0.000) 18.447 22.314 ( 3.285 -15.007 0.000) 15.362 22.677 ( 0.981 18.593 0.000) 18.619 22.910 ( 2.229 -6.467 0.000) 6.840 =================== 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 3/29160 10.0 98.822 90.677 120.345 0.000 0.000 -0.000 3/29160 20.0 17.357 12.684 16.068 0.000 0.000 -0.000 3/29160 30.0 8.200 5.665 6.624 0.000 0.000 -0.000 3/29160 40.0 5.356 3.670 4.030 0.000 0.000 -0.000 3/29160 50.0 4.032 2.800 2.917 0.000 0.000 -0.000 3/29160 60.0 3.273 2.324 2.314 0.000 0.000 -0.000 3/29160 70.0 2.781 2.021 1.935 0.000 0.000 -0.000 3/29160 80.0 2.438 1.806 1.675 0.000 0.000 -0.000 3/29160 90.0 2.185 1.642 1.484 0.000 0.000 -0.000 3/29160 100.0 1.990 1.512 1.338 0.000 0.000 -0.000 3/29160 110.0 1.834 1.405 1.222 0.000 0.000 -0.000 3/29160 120.0 1.706 1.315 1.128 0.000 0.000 -0.000 3/29160 130.0 1.598 1.238 1.049 0.000 0.000 -0.000 3/29160 140.0 1.506 1.171 0.983 0.000 0.000 -0.000 3/29160 150.0 1.425 1.114 0.926 0.000 0.000 -0.000 3/29160 160.0 1.354 1.063 0.876 0.000 0.000 -0.000 3/29160 170.0 1.290 1.018 0.832 0.000 0.000 -0.000 3/29160 180.0 1.233 0.977 0.793 0.000 0.000 -0.000 3/29160 190.0 1.181 0.941 0.758 0.000 0.000 -0.000 3/29160 200.0 1.134 0.908 0.726 0.000 0.000 -0.000 3/29160 210.0 1.090 0.878 0.697 0.000 0.000 -0.000 3/29160 220.0 1.050 0.850 0.670 0.000 0.000 -0.000 3/29160 230.0 1.013 0.825 0.645 0.000 0.000 -0.000 3/29160 240.0 0.978 0.801 0.622 0.000 0.000 -0.000 3/29160 250.0 0.946 0.779 0.600 0.000 0.000 -0.000 3/29160 260.0 0.916 0.758 0.580 0.000 0.000 -0.000 3/29160 270.0 0.888 0.738 0.562 0.000 0.000 -0.000 3/29160 280.0 0.861 0.719 0.544 0.000 0.000 -0.000 3/29160 290.0 0.836 0.702 0.528 0.000 0.000 -0.000 3/29160 300.0 0.813 0.685 0.512 0.000 0.000 -0.000 3/29160 310.0 0.790 0.669 0.498 0.000 0.000 -0.000 3/29160 320.0 0.769 0.654 0.484 0.000 0.000 -0.000 3/29160 330.0 0.749 0.639 0.471 0.000 0.000 -0.000 3/29160 340.0 0.730 0.625 0.458 0.000 0.000 -0.000 3/29160 350.0 0.712 0.612 0.447 0.000 0.000 -0.000 3/29160 360.0 0.694 0.599 0.435 0.000 0.000 -0.000 3/29160 370.0 0.678 0.587 0.425 0.000 0.000 -0.000 3/29160 380.0 0.662 0.575 0.414 0.000 0.000 -0.000 3/29160 390.0 0.647 0.564 0.405 0.000 0.000 -0.000 3/29160 400.0 0.633 0.553 0.395 0.000 0.000 -0.000 3/29160 410.0 0.619 0.542 0.387 0.000 0.000 -0.000 3/29160 420.0 0.606 0.532 0.378 0.000 0.000 -0.000 3/29160 430.0 0.593 0.522 0.370 0.000 0.000 -0.000 3/29160 440.0 0.581 0.513 0.362 0.000 0.000 -0.000 3/29160 450.0 0.569 0.503 0.355 0.000 0.000 -0.000 3/29160 460.0 0.558 0.494 0.347 0.000 0.000 -0.000 3/29160 470.0 0.547 0.486 0.341 0.000 0.000 -0.000 3/29160 480.0 0.537 0.477 0.334 0.000 0.000 -0.000 3/29160 490.0 0.527 0.469 0.328 0.000 0.000 -0.000 3/29160 500.0 0.517 0.461 0.321 0.000 0.000 -0.000 3/29160 510.0 0.508 0.454 0.315 0.000 0.000 -0.000 3/29160 520.0 0.499 0.447 0.310 0.000 0.000 -0.000 3/29160 530.0 0.490 0.439 0.304 0.000 0.000 -0.000 3/29160 540.0 0.481 0.432 0.299 0.000 0.000 -0.000 3/29160 550.0 0.473 0.426 0.294 0.000 0.000 -0.000 3/29160 560.0 0.465 0.419 0.289 0.000 0.000 -0.000 3/29160 570.0 0.458 0.413 0.284 0.000 0.000 -0.000 3/29160 580.0 0.450 0.407 0.279 0.000 0.000 -0.000 3/29160 590.0 0.443 0.401 0.275 0.000 0.000 -0.000 3/29160 600.0 0.436 0.395 0.270 0.000 0.000 -0.000 3/29160 610.0 0.429 0.389 0.266 0.000 0.000 -0.000 3/29160 620.0 0.423 0.384 0.262 0.000 0.000 -0.000 3/29160 630.0 0.417 0.378 0.258 0.000 0.000 -0.000 3/29160 640.0 0.410 0.373 0.254 0.000 0.000 -0.000 3/29160 650.0 0.404 0.368 0.250 0.000 0.000 -0.000 3/29160 660.0 0.399 0.363 0.247 0.000 0.000 -0.000 3/29160 670.0 0.393 0.358 0.243 0.000 0.000 -0.000 3/29160 680.0 0.387 0.353 0.240 0.000 0.000 -0.000 3/29160 690.0 0.382 0.349 0.236 0.000 0.000 -0.000 3/29160 700.0 0.377 0.344 0.233 0.000 0.000 -0.000 3/29160 710.0 0.372 0.340 0.230 0.000 0.000 -0.000 3/29160 720.0 0.367 0.335 0.227 0.000 0.000 -0.000 3/29160 730.0 0.362 0.331 0.224 0.000 0.000 -0.000 3/29160 740.0 0.357 0.327 0.221 0.000 0.000 -0.000 3/29160 750.0 0.353 0.323 0.218 0.000 0.000 -0.000 3/29160 760.0 0.348 0.319 0.215 0.000 0.000 -0.000 3/29160 770.0 0.344 0.316 0.212 0.000 0.000 -0.000 3/29160 780.0 0.340 0.312 0.210 0.000 0.000 -0.000 3/29160 790.0 0.336 0.308 0.207 0.000 0.000 -0.000 3/29160 800.0 0.332 0.305 0.205 0.000 0.000 -0.000 3/29160 810.0 0.328 0.301 0.202 0.000 0.000 -0.000 3/29160 820.0 0.324 0.298 0.200 0.000 0.000 -0.000 3/29160 830.0 0.320 0.294 0.197 0.000 0.000 -0.000 3/29160 840.0 0.316 0.291 0.195 0.000 0.000 -0.000 3/29160 850.0 0.313 0.288 0.193 0.000 0.000 -0.000 3/29160 860.0 0.309 0.285 0.191 0.000 0.000 -0.000 3/29160 870.0 0.306 0.282 0.189 0.000 0.000 -0.000 3/29160 880.0 0.302 0.279 0.187 0.000 0.000 -0.000 3/29160 890.0 0.299 0.276 0.184 0.000 0.000 -0.000 3/29160 900.0 0.296 0.273 0.182 0.000 0.000 -0.000 3/29160 910.0 0.293 0.270 0.180 0.000 0.000 -0.000 3/29160 920.0 0.290 0.267 0.179 0.000 0.000 -0.000 3/29160 930.0 0.287 0.265 0.177 0.000 0.000 -0.000 3/29160 940.0 0.284 0.262 0.175 0.000 0.000 -0.000 3/29160 950.0 0.281 0.259 0.173 0.000 0.000 -0.000 3/29160 960.0 0.278 0.257 0.171 0.000 0.000 -0.000 3/29160 970.0 0.275 0.254 0.170 0.000 0.000 -0.000 3/29160 980.0 0.272 0.252 0.168 0.000 0.000 -0.000 3/29160 990.0 0.270 0.250 0.166 0.000 0.000 -0.000 3/29160 1000.0 0.267 0.247 0.165 0.000 0.000 -0.000 3/29160 Thermal conductivity related properties were written into "kappa-m956.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:38:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|