----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:30:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.180521521003867 -2.835554740000000 0.000000000000000 b 6.180521521003867 2.835554740000000 0.000000000000000 c -4.476932871132679 0.000000000000000 9.069218021740941 Atomic positions (fractional): *1 O 0.42384330046643 0.21328006314469 0.09012586588514 15.999 2 O 0.78671993685531 0.57615669953357 0.40987413411486 15.999 3 O 0.57615669953357 0.78671993685531 0.90987413411486 15.999 4 O 0.21328006314469 0.42384330046643 0.59012586588514 15.999 *5 O 0.99285519090494 0.80086686142456 0.09341997039376 15.999 6 O 0.19913313857544 0.00714480909506 0.40658002960624 15.999 7 O 0.00714480909506 0.19913313857544 0.90658002960624 15.999 8 O 0.80086686142456 0.99285519090494 0.59341997039376 15.999 *9 O 0.69173950795696 0.14208354051853 0.34078170022946 15.999 10 O 0.85791645948147 0.30826049204304 0.15921829977054 15.999 11 O 0.30826049204304 0.85791645948147 0.65921829977054 15.999 12 O 0.14208354051853 0.69173950795696 0.84078170022946 15.999 *13 O 0.65167421377952 0.13527355669494 0.87634771125794 15.999 14 O 0.86472644330506 0.34832578622048 0.62365228874206 15.999 15 O 0.34832578622048 0.86472644330506 0.12365228874206 15.999 16 O 0.13527355669494 0.65167421377952 0.37634771125794 15.999 *17 Ca 0.43610696996061 0.56389303003939 0.25000000000000 40.078 18 Ca 0.56389303003939 0.43610696996061 0.75000000000000 40.078 *19 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 20 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 *21 Te 0.86533589695409 0.69093288781154 0.64019007518908 127.600 22 Te 0.30906711218846 0.13466410304591 0.85980992481092 127.600 23 Te 0.13466410304591 0.30906711218846 0.35980992481092 127.600 24 Te 0.69093288781154 0.86533589695409 0.14019007518908 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.361043042007735 0.000000000000000 0.000000000000000 b 0.000000000000000 5.671109479999999 0.000000000000000 c -4.476932871132679 0.000000000000000 9.069218021740941 Atomic positions (fractional): *1 O 0.81856168180556 0.39471838133913 0.09012586588514 15.999 > 1 2 O 0.18143831819444 0.39471838133913 0.40987413411486 15.999 > 2 3 O 0.18143831819444 0.60528161866087 0.90987413411486 15.999 > 3 4 O 0.81856168180556 0.60528161866087 0.59012586588514 15.999 > 4 *5 O 0.89686102616475 0.90400583525981 0.09341997039376 15.999 > 5 6 O 0.10313897383525 0.90400583525981 0.40658002960624 15.999 > 6 7 O 0.10313897383525 0.09599416474019 0.90658002960624 15.999 > 7 8 O 0.89686102616475 0.09599416474019 0.59341997039376 15.999 > 8 *9 O 0.91691152423774 0.22517201628079 0.34078170022946 15.999 > 9 10 O 0.58308847576226 0.72517201628079 0.15921829977054 15.999 > 10 11 O 0.08308847576226 0.77482798371921 0.65921829977054 15.999 > 11 12 O 0.41691152423774 0.27482798371921 0.84078170022946 15.999 > 12 *13 O 0.39347388523723 0.74179967145771 0.87634771125794 15.999 > 13 14 O 0.10652611476277 0.24179967145771 0.62365228874206 15.999 > 14 15 O 0.60652611476277 0.25820032854229 0.12365228874206 15.999 > 15 16 O 0.89347388523723 0.75820032854229 0.37634771125794 15.999 > 16 17 O 0.31856168180556 0.89471838133913 0.09012586588514 15.999 > 1 18 O 0.68143831819444 0.89471838133913 0.40987413411486 15.999 > 2 19 O 0.68143831819444 0.10528161866087 0.90987413411486 15.999 > 3 20 O 0.31856168180556 0.10528161866087 0.59012586588514 15.999 > 4 21 O 0.39686102616475 0.40400583525981 0.09341997039376 15.999 > 5 22 O 0.60313897383525 0.40400583525981 0.40658002960624 15.999 > 6 23 O 0.60313897383525 0.59599416474019 0.90658002960624 15.999 > 7 24 O 0.39686102616475 0.59599416474019 0.59341997039376 15.999 > 8 25 O 0.41691152423774 0.72517201628079 0.34078170022946 15.999 > 9 26 O 0.08308847576226 0.22517201628079 0.15921829977054 15.999 > 10 27 O 0.58308847576226 0.27482798371921 0.65921829977054 15.999 > 11 28 O 0.91691152423774 0.77482798371921 0.84078170022946 15.999 > 12 29 O 0.89347388523723 0.24179967145771 0.87634771125794 15.999 > 13 30 O 0.60652611476277 0.74179967145771 0.62365228874206 15.999 > 14 31 O 0.10652611476277 0.75820032854229 0.12365228874206 15.999 > 15 32 O 0.39347388523723 0.25820032854229 0.37634771125794 15.999 > 16 *33 Ca 0.00000000000000 0.56389303003939 0.25000000000000 40.078 > 17 34 Ca 0.00000000000000 0.43610696996061 0.75000000000000 40.078 > 18 35 Ca 0.50000000000000 0.06389303003939 0.25000000000000 40.078 > 17 36 Ca 0.50000000000000 0.93610696996061 0.75000000000000 40.078 > 18 *37 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 19 38 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 20 *39 Te 0.27813439238281 0.41279849542873 0.64019007518908 127.600 > 21 40 Te 0.22186560761719 0.91279849542873 0.85980992481092 127.600 > 22 41 Te 0.72186560761719 0.58720150457127 0.35980992481092 127.600 > 23 42 Te 0.77813439238281 0.08720150457127 0.14019007518908 127.600 > 24 43 Te 0.50000000000000 0.50000000000000 0.50000000000000 127.600 > 19 44 Te 0.50000000000000 0.50000000000000 0.00000000000000 127.600 > 20 45 Te 0.77813439238281 0.91279849542873 0.64019007518908 127.600 > 21 46 Te 0.72186560761719 0.41279849542873 0.85980992481092 127.600 > 22 47 Te 0.22186560761719 0.08720150457127 0.35980992481092 127.600 > 23 48 Te 0.27813439238281 0.58720150457127 0.14019007518908 127.600 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.361043042007735 0.000000000000000 0.000000000000000 b 0.000000000000000 11.342218959999999 0.000000000000000 c -4.476932871132679 0.000000000000000 9.069218021740941 Atomic positions (fractional): *1 O 0.81856168180556 0.19735919066957 0.09012586588514 15.999 > 1 2 O 0.81856168180556 0.69735919066957 0.09012586588514 15.999 > 1 3 O 0.18143831819444 0.19735919066957 0.40987413411486 15.999 > 2 4 O 0.18143831819444 0.69735919066957 0.40987413411486 15.999 > 2 5 O 0.18143831819444 0.30264080933043 0.90987413411486 15.999 > 3 6 O 0.18143831819444 0.80264080933043 0.90987413411486 15.999 > 3 7 O 0.81856168180556 0.30264080933043 0.59012586588514 15.999 > 4 8 O 0.81856168180556 0.80264080933043 0.59012586588514 15.999 > 4 *9 O 0.89686102616475 0.45200291762990 0.09341997039376 15.999 > 5 10 O 0.89686102616475 0.95200291762990 0.09341997039376 15.999 > 5 11 O 0.10313897383525 0.45200291762990 0.40658002960624 15.999 > 6 12 O 0.10313897383525 0.95200291762990 0.40658002960624 15.999 > 6 13 O 0.10313897383525 0.04799708237010 0.90658002960624 15.999 > 7 14 O 0.10313897383525 0.54799708237010 0.90658002960624 15.999 > 7 15 O 0.89686102616475 0.04799708237010 0.59341997039376 15.999 > 8 16 O 0.89686102616475 0.54799708237010 0.59341997039376 15.999 > 8 *17 O 0.91691152423774 0.11258600814039 0.34078170022946 15.999 > 9 18 O 0.91691152423774 0.61258600814039 0.34078170022946 15.999 > 9 19 O 0.58308847576226 0.36258600814039 0.15921829977054 15.999 > 10 20 O 0.58308847576226 0.86258600814039 0.15921829977054 15.999 > 10 21 O 0.08308847576226 0.38741399185961 0.65921829977054 15.999 > 11 22 O 0.08308847576226 0.88741399185961 0.65921829977054 15.999 > 11 23 O 0.41691152423774 0.13741399185961 0.84078170022946 15.999 > 12 24 O 0.41691152423774 0.63741399185961 0.84078170022946 15.999 > 12 *25 O 0.39347388523723 0.37089983572886 0.87634771125794 15.999 > 13 26 O 0.39347388523723 0.87089983572886 0.87634771125794 15.999 > 13 27 O 0.10652611476277 0.12089983572886 0.62365228874206 15.999 > 14 28 O 0.10652611476277 0.62089983572885 0.62365228874206 15.999 > 14 29 O 0.60652611476277 0.12910016427114 0.12365228874206 15.999 > 15 30 O 0.60652611476277 0.62910016427114 0.12365228874206 15.999 > 15 31 O 0.89347388523723 0.37910016427114 0.37634771125794 15.999 > 16 32 O 0.89347388523723 0.87910016427114 0.37634771125794 15.999 > 16 33 O 0.31856168180556 0.44735919066957 0.09012586588514 15.999 > 1 34 O 0.31856168180556 0.94735919066957 0.09012586588514 15.999 > 1 35 O 0.68143831819444 0.44735919066957 0.40987413411486 15.999 > 2 36 O 0.68143831819444 0.94735919066957 0.40987413411486 15.999 > 2 37 O 0.68143831819444 0.05264080933043 0.90987413411486 15.999 > 3 38 O 0.68143831819444 0.55264080933043 0.90987413411486 15.999 > 3 39 O 0.31856168180556 0.05264080933043 0.59012586588514 15.999 > 4 40 O 0.31856168180556 0.55264080933043 0.59012586588514 15.999 > 4 41 O 0.39686102616475 0.20200291762990 0.09341997039376 15.999 > 5 42 O 0.39686102616475 0.70200291762990 0.09341997039376 15.999 > 5 43 O 0.60313897383525 0.20200291762990 0.40658002960624 15.999 > 6 44 O 0.60313897383525 0.70200291762990 0.40658002960624 15.999 > 6 45 O 0.60313897383525 0.29799708237010 0.90658002960624 15.999 > 7 46 O 0.60313897383525 0.79799708237010 0.90658002960624 15.999 > 7 47 O 0.39686102616475 0.29799708237010 0.59341997039376 15.999 > 8 48 O 0.39686102616475 0.79799708237010 0.59341997039376 15.999 > 8 49 O 0.41691152423774 0.36258600814039 0.34078170022946 15.999 > 9 50 O 0.41691152423774 0.86258600814039 0.34078170022946 15.999 > 9 51 O 0.08308847576226 0.11258600814039 0.15921829977054 15.999 > 10 52 O 0.08308847576226 0.61258600814039 0.15921829977054 15.999 > 10 53 O 0.58308847576226 0.13741399185961 0.65921829977054 15.999 > 11 54 O 0.58308847576226 0.63741399185961 0.65921829977054 15.999 > 11 55 O 0.91691152423774 0.38741399185961 0.84078170022946 15.999 > 12 56 O 0.91691152423774 0.88741399185961 0.84078170022946 15.999 > 12 57 O 0.89347388523723 0.12089983572886 0.87634771125794 15.999 > 13 58 O 0.89347388523723 0.62089983572885 0.87634771125794 15.999 > 13 59 O 0.60652611476277 0.37089983572885 0.62365228874206 15.999 > 14 60 O 0.60652611476277 0.87089983572885 0.62365228874206 15.999 > 14 61 O 0.10652611476277 0.37910016427114 0.12365228874206 15.999 > 15 62 O 0.10652611476277 0.87910016427114 0.12365228874206 15.999 > 15 63 O 0.39347388523723 0.12910016427115 0.37634771125794 15.999 > 16 64 O 0.39347388523723 0.62910016427115 0.37634771125794 15.999 > 16 *65 Ca 0.00000000000000 0.28194651501969 0.25000000000000 40.078 > 17 66 Ca 0.00000000000000 0.78194651501969 0.25000000000000 40.078 > 17 67 Ca 0.00000000000000 0.21805348498031 0.75000000000000 40.078 > 18 68 Ca 0.00000000000000 0.71805348498031 0.75000000000000 40.078 > 18 69 Ca 0.50000000000000 0.03194651501969 0.25000000000000 40.078 > 17 70 Ca 0.50000000000000 0.53194651501969 0.25000000000000 40.078 > 17 71 Ca 0.50000000000000 0.46805348498031 0.75000000000000 40.078 > 18 72 Ca 0.50000000000000 0.96805348498031 0.75000000000000 40.078 > 18 *73 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 19 74 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 19 75 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 20 76 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 20 *77 Te 0.27813439238281 0.20639924771436 0.64019007518908 127.600 > 21 78 Te 0.27813439238281 0.70639924771436 0.64019007518908 127.600 > 21 79 Te 0.22186560761719 0.45639924771436 0.85980992481092 127.600 > 22 80 Te 0.22186560761719 0.95639924771436 0.85980992481092 127.600 > 22 81 Te 0.72186560761719 0.29360075228564 0.35980992481092 127.600 > 23 82 Te 0.72186560761719 0.79360075228564 0.35980992481092 127.600 > 23 83 Te 0.77813439238281 0.04360075228564 0.14019007518908 127.600 > 24 84 Te 0.77813439238281 0.54360075228564 0.14019007518908 127.600 > 24 85 Te 0.50000000000000 0.25000000000000 0.50000000000000 127.600 > 19 86 Te 0.50000000000000 0.75000000000000 0.50000000000000 127.600 > 19 87 Te 0.50000000000000 0.25000000000000 0.00000000000000 127.600 > 20 88 Te 0.50000000000000 0.75000000000000 0.00000000000000 127.600 > 20 89 Te 0.77813439238281 0.45639924771436 0.64019007518908 127.600 > 21 90 Te 0.77813439238281 0.95639924771436 0.64019007518908 127.600 > 21 91 Te 0.72186560761719 0.20639924771436 0.85980992481092 127.600 > 22 92 Te 0.72186560761719 0.70639924771436 0.85980992481092 127.600 > 22 93 Te 0.22186560761719 0.04360075228564 0.35980992481092 127.600 > 23 94 Te 0.22186560761719 0.54360075228564 0.35980992481092 127.600 > 23 95 Te 0.27813439238281 0.29360075228564 0.14019007518908 127.600 > 24 96 Te 0.27813439238281 0.79360075228564 0.14019007518908 127.600 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7929527 0.0000000 0.2873804 0.0000000 4.4100309 0.0000000 0.2873798 0.0000000 5.4749785 -------------------------- Born effective charges -------------------------- 1 O -1.3560614 -0.1066686 -0.2803973 -0.3023456 -1.7387161 0.3463285 0.1073560 0.6396331 -3.0148103 2 O -1.3560614 0.1066686 -0.2803973 0.3023456 -1.7387161 -0.3463285 0.1073560 -0.6396331 -3.0148103 3 O -1.3560614 -0.1066686 -0.2803973 -0.3023456 -1.7387161 0.3463285 0.1073560 0.6396331 -3.0148103 4 O -1.3560614 0.1066686 -0.2803973 0.3023456 -1.7387161 -0.3463285 0.1073560 -0.6396331 -3.0148103 5 O -3.9230226 0.4656807 0.9838905 1.1562813 -1.6370982 -0.2112169 0.5390457 0.0294285 -1.6382612 6 O -3.9230226 -0.4656807 0.9838905 -1.1562813 -1.6370982 0.2112169 0.5390457 -0.0294285 -1.6382612 7 O -3.9230226 0.4656807 0.9838905 1.1562813 -1.6370982 -0.2112169 0.5390457 0.0294285 -1.6382612 8 O -3.9230226 -0.4656807 0.9838905 -1.1562813 -1.6370982 0.2112169 0.5390457 -0.0294285 -1.6382612 9 O -1.6080676 -0.1663818 -0.5888334 -0.0642988 -1.6404795 0.4491406 -0.9189029 0.1864891 -3.3999844 10 O -1.6080676 0.1663818 -0.5888334 0.0642988 -1.6404795 -0.4491406 -0.9189029 -0.1864891 -3.3999844 11 O -1.6080676 -0.1663818 -0.5888334 -0.0642988 -1.6404795 0.4491406 -0.9189029 0.1864891 -3.3999844 12 O -1.6080676 0.1663818 -0.5888334 0.0642988 -1.6404795 -0.4491406 -0.9189029 -0.1864891 -3.3999844 13 O -3.0603377 1.1704505 -0.8219736 0.8688926 -2.1847841 0.2912347 -0.2794647 0.1314636 -2.1207376 14 O -3.0603377 -1.1704505 -0.8219736 -0.8688926 -2.1847841 -0.2912347 -0.2794647 -0.1314636 -2.1207376 15 O -3.0603377 1.1704505 -0.8219736 0.8688926 -2.1847841 0.2912347 -0.2794647 0.1314636 -2.1207376 16 O -3.0603377 -1.1704505 -0.8219736 -0.8688926 -2.1847841 -0.2912347 -0.2794647 -0.1314636 -2.1207376 17 Ca 2.7025799 0.0000000 0.1067013 0.0000000 3.1485043 0.0000000 0.1568908 0.0000000 2.2921789 18 Ca 2.7025799 0.0000000 0.1067013 0.0000000 3.1485043 0.0000000 0.1568908 0.0000000 2.2921789 19 Te 6.5557040 0.0048529 0.7001168 0.9019541 3.9846161 -0.3710595 0.1294839 -1.0885737 6.7303709 20 Te 6.5557040 -0.0048529 0.7001168 -0.9019541 3.9846161 0.3710595 0.1294839 1.0885737 6.7303709 21 Te 5.3183474 1.3544783 0.3039048 1.5480879 3.6345178 0.7802326 0.4087786 0.4885527 5.6625186 22 Te 5.3183474 -1.3544783 0.3039048 -1.5480879 3.6345178 -0.7802326 0.4087786 -0.4885527 5.6625186 23 Te 5.3183474 1.3544783 0.3039048 1.5480879 3.6345178 0.7802326 0.4087786 0.4885527 5.6625186 24 Te 5.3183474 -1.3544783 0.3039048 -1.5480879 3.6345178 -0.7802326 0.4087786 -0.4885527 5.6625186 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 13104/13104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2711 Number of blocks in projector: 2711 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: 582 Use submatrix version of eigh solver. (1) Block: 582 / 582 (2) Block: 250 / 582 (2) 237 eigenvectors found. (2) Block: 500 / 582 (2) 239 eigenvectors found. (2) Block: 582 / 582 (2) 75 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 240 eigenvectors found. (2) Block: 574 / 574 (2) 62 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 240 eigenvectors found. (2) Block: 574 / 574 (2) 62 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 327 Use standard eigh solver. Tree of FC basis block matrices: - (2711, 2653), data: False |-- (327, 320), data: True |-- (327, 320), data: True |-- (327, 320), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 22), data: (574, 34) @ (34, 22) |-- (74, 62), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 22), data: (574, 34) @ (34, 22) |-- (74, 62), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (582, 569), data: False |-- (582, 569), data: False |-- (582, 18), data: (582, 31) @ (31, 18) |-- (82, 75), data: True |-- (250, 239), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 720 - Time: 0.765 Solver_block: 200 / 720 - Time: 0.736 Solver_block: 300 / 720 - Time: 1.067 Solver_block: 400 / 720 - Time: 1.222 Solver_block: 500 / 720 - Time: 1.217 Solver_block: 600 / 720 - Time: 0.804 Solver_block: 700 / 720 - Time: 0.860 Solver_block: 720 / 720 - Time: 0.326 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.438 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 13104/13104 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2711 Number of blocks in projector: 2711 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: 582 Use submatrix version of eigh solver. (1) Block: 582 / 582 (2) Block: 250 / 582 (2) 237 eigenvectors found. (2) Block: 500 / 582 (2) 239 eigenvectors found. (2) Block: 582 / 582 (2) 75 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 569 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 240 eigenvectors found. (2) Block: 574 / 574 (2) 62 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 240 eigenvectors found. (2) Block: 574 / 574 (2) 62 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 327 Use standard eigh solver. Tree of FC basis block matrices: - (2711, 2653), data: False |-- (327, 320), data: True |-- (327, 320), data: True |-- (327, 320), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 22), data: (574, 34) @ (34, 22) |-- (74, 62), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 22), data: (574, 34) @ (34, 22) |-- (74, 62), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (582, 569), data: False |-- (582, 569), data: False |-- (582, 18), data: (582, 31) @ (31, 18) |-- (82, 75), data: True |-- (250, 239), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:31:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:31:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.180521521003867 -2.835554740000000 0.000000000000000 b 6.180521521003867 2.835554740000000 0.000000000000000 c -4.476932871132679 0.000000000000000 9.069218021740941 Atomic positions (fractional): 1 O 0.42384330046643 0.21328006314469 0.09012586588514 15.999 2 O 0.78671993685531 0.57615669953357 0.40987413411486 15.999 3 O 0.57615669953357 0.78671993685531 0.90987413411486 15.999 4 O 0.21328006314469 0.42384330046643 0.59012586588514 15.999 5 O 0.99285519090494 0.80086686142456 0.09341997039376 15.999 6 O 0.19913313857544 0.00714480909506 0.40658002960624 15.999 7 O 0.00714480909506 0.19913313857544 0.90658002960624 15.999 8 O 0.80086686142456 0.99285519090494 0.59341997039376 15.999 9 O 0.69173950795696 0.14208354051853 0.34078170022946 15.999 10 O 0.85791645948147 0.30826049204304 0.15921829977054 15.999 11 O 0.30826049204304 0.85791645948147 0.65921829977054 15.999 12 O 0.14208354051853 0.69173950795696 0.84078170022946 15.999 13 O 0.65167421377952 0.13527355669494 0.87634771125794 15.999 14 O 0.86472644330506 0.34832578622048 0.62365228874206 15.999 15 O 0.34832578622048 0.86472644330506 0.12365228874206 15.999 16 O 0.13527355669494 0.65167421377952 0.37634771125794 15.999 17 Ca 0.43610696996061 0.56389303003939 0.25000000000000 40.078 18 Ca 0.56389303003939 0.43610696996061 0.75000000000000 40.078 19 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 20 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 21 Te 0.86533589695409 0.69093288781154 0.64019007518908 127.600 22 Te 0.30906711218846 0.13466410304591 0.85980992481092 127.600 23 Te 0.13466410304591 0.30906711218846 0.35980992481092 127.600 24 Te 0.69093288781154 0.86533589695409 0.14019007518908 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.361043042007735 0.000000000000000 0.000000000000000 b 0.000000000000000 11.342218959999999 0.000000000000000 c -4.476932871132679 0.000000000000000 9.069218021740941 Atomic positions (fractional): 1 O 0.81856168180556 0.19735919066957 0.09012586588514 15.999 > 1 2 O 0.81856168180556 0.69735919066957 0.09012586588514 15.999 > 1 3 O 0.18143831819444 0.19735919066957 0.40987413411486 15.999 > 3 4 O 0.18143831819444 0.69735919066957 0.40987413411486 15.999 > 3 5 O 0.18143831819444 0.30264080933043 0.90987413411486 15.999 > 5 6 O 0.18143831819444 0.80264080933043 0.90987413411486 15.999 > 5 7 O 0.81856168180556 0.30264080933043 0.59012586588514 15.999 > 7 8 O 0.81856168180556 0.80264080933043 0.59012586588514 15.999 > 7 9 O 0.89686102616475 0.45200291762990 0.09341997039376 15.999 > 9 10 O 0.89686102616475 0.95200291762990 0.09341997039376 15.999 > 9 11 O 0.10313897383525 0.45200291762990 0.40658002960624 15.999 > 11 12 O 0.10313897383525 0.95200291762990 0.40658002960624 15.999 > 11 13 O 0.10313897383525 0.04799708237010 0.90658002960624 15.999 > 13 14 O 0.10313897383525 0.54799708237010 0.90658002960624 15.999 > 13 15 O 0.89686102616475 0.04799708237010 0.59341997039376 15.999 > 15 16 O 0.89686102616475 0.54799708237010 0.59341997039376 15.999 > 15 17 O 0.91691152423774 0.11258600814039 0.34078170022946 15.999 > 17 18 O 0.91691152423774 0.61258600814039 0.34078170022946 15.999 > 17 19 O 0.58308847576226 0.36258600814039 0.15921829977054 15.999 > 19 20 O 0.58308847576226 0.86258600814039 0.15921829977054 15.999 > 19 21 O 0.08308847576226 0.38741399185961 0.65921829977054 15.999 > 21 22 O 0.08308847576226 0.88741399185961 0.65921829977054 15.999 > 21 23 O 0.41691152423774 0.13741399185961 0.84078170022946 15.999 > 23 24 O 0.41691152423774 0.63741399185961 0.84078170022946 15.999 > 23 25 O 0.39347388523723 0.37089983572886 0.87634771125794 15.999 > 25 26 O 0.39347388523723 0.87089983572886 0.87634771125794 15.999 > 25 27 O 0.10652611476277 0.12089983572886 0.62365228874206 15.999 > 27 28 O 0.10652611476277 0.62089983572885 0.62365228874206 15.999 > 27 29 O 0.60652611476277 0.12910016427114 0.12365228874206 15.999 > 29 30 O 0.60652611476277 0.62910016427114 0.12365228874206 15.999 > 29 31 O 0.89347388523723 0.37910016427114 0.37634771125794 15.999 > 31 32 O 0.89347388523723 0.87910016427114 0.37634771125794 15.999 > 31 33 O 0.31856168180556 0.44735919066957 0.09012586588514 15.999 > 1 34 O 0.31856168180556 0.94735919066957 0.09012586588514 15.999 > 1 35 O 0.68143831819444 0.44735919066957 0.40987413411486 15.999 > 3 36 O 0.68143831819444 0.94735919066957 0.40987413411486 15.999 > 3 37 O 0.68143831819444 0.05264080933043 0.90987413411486 15.999 > 5 38 O 0.68143831819444 0.55264080933043 0.90987413411486 15.999 > 5 39 O 0.31856168180556 0.05264080933043 0.59012586588514 15.999 > 7 40 O 0.31856168180556 0.55264080933043 0.59012586588514 15.999 > 7 41 O 0.39686102616475 0.20200291762990 0.09341997039376 15.999 > 9 42 O 0.39686102616475 0.70200291762990 0.09341997039376 15.999 > 9 43 O 0.60313897383525 0.20200291762990 0.40658002960624 15.999 > 11 44 O 0.60313897383525 0.70200291762990 0.40658002960624 15.999 > 11 45 O 0.60313897383525 0.29799708237010 0.90658002960624 15.999 > 13 46 O 0.60313897383525 0.79799708237010 0.90658002960624 15.999 > 13 47 O 0.39686102616475 0.29799708237010 0.59341997039376 15.999 > 15 48 O 0.39686102616475 0.79799708237010 0.59341997039376 15.999 > 15 49 O 0.41691152423774 0.36258600814039 0.34078170022946 15.999 > 17 50 O 0.41691152423774 0.86258600814039 0.34078170022946 15.999 > 17 51 O 0.08308847576226 0.11258600814039 0.15921829977054 15.999 > 19 52 O 0.08308847576226 0.61258600814039 0.15921829977054 15.999 > 19 53 O 0.58308847576226 0.13741399185961 0.65921829977054 15.999 > 21 54 O 0.58308847576226 0.63741399185961 0.65921829977054 15.999 > 21 55 O 0.91691152423774 0.38741399185961 0.84078170022946 15.999 > 23 56 O 0.91691152423774 0.88741399185961 0.84078170022946 15.999 > 23 57 O 0.89347388523723 0.12089983572886 0.87634771125794 15.999 > 25 58 O 0.89347388523723 0.62089983572885 0.87634771125794 15.999 > 25 59 O 0.60652611476277 0.37089983572885 0.62365228874206 15.999 > 27 60 O 0.60652611476277 0.87089983572885 0.62365228874206 15.999 > 27 61 O 0.10652611476277 0.37910016427114 0.12365228874206 15.999 > 29 62 O 0.10652611476277 0.87910016427114 0.12365228874206 15.999 > 29 63 O 0.39347388523723 0.12910016427115 0.37634771125794 15.999 > 31 64 O 0.39347388523723 0.62910016427115 0.37634771125794 15.999 > 31 65 Ca 0.00000000000000 0.28194651501969 0.25000000000000 40.078 > 65 66 Ca 0.00000000000000 0.78194651501969 0.25000000000000 40.078 > 65 67 Ca 0.00000000000000 0.21805348498031 0.75000000000000 40.078 > 67 68 Ca 0.00000000000000 0.71805348498031 0.75000000000000 40.078 > 67 69 Ca 0.50000000000000 0.03194651501969 0.25000000000000 40.078 > 65 70 Ca 0.50000000000000 0.53194651501969 0.25000000000000 40.078 > 65 71 Ca 0.50000000000000 0.46805348498031 0.75000000000000 40.078 > 67 72 Ca 0.50000000000000 0.96805348498031 0.75000000000000 40.078 > 67 73 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 73 74 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 73 75 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 75 76 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 75 77 Te 0.27813439238281 0.20639924771436 0.64019007518908 127.600 > 77 78 Te 0.27813439238281 0.70639924771436 0.64019007518908 127.600 > 77 79 Te 0.22186560761719 0.45639924771436 0.85980992481092 127.600 > 79 80 Te 0.22186560761719 0.95639924771436 0.85980992481092 127.600 > 79 81 Te 0.72186560761719 0.29360075228564 0.35980992481092 127.600 > 81 82 Te 0.72186560761719 0.79360075228564 0.35980992481092 127.600 > 81 83 Te 0.77813439238281 0.04360075228564 0.14019007518908 127.600 > 83 84 Te 0.77813439238281 0.54360075228564 0.14019007518908 127.600 > 83 85 Te 0.50000000000000 0.25000000000000 0.50000000000000 127.600 > 73 86 Te 0.50000000000000 0.75000000000000 0.50000000000000 127.600 > 73 87 Te 0.50000000000000 0.25000000000000 0.00000000000000 127.600 > 75 88 Te 0.50000000000000 0.75000000000000 0.00000000000000 127.600 > 75 89 Te 0.77813439238281 0.45639924771436 0.64019007518908 127.600 > 77 90 Te 0.77813439238281 0.95639924771436 0.64019007518908 127.600 > 77 91 Te 0.72186560761719 0.20639924771436 0.85980992481092 127.600 > 79 92 Te 0.72186560761719 0.70639924771436 0.85980992481092 127.600 > 79 93 Te 0.22186560761719 0.04360075228564 0.35980992481092 127.600 > 81 94 Te 0.22186560761719 0.54360075228564 0.35980992481092 127.600 > 81 95 Te 0.27813439238281 0.29360075228564 0.14019007518908 127.600 > 83 96 Te 0.27813439238281 0.79360075228564 0.14019007518908 127.600 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7929527 0.0000000 0.2873804 0.0000000 4.4100309 0.0000000 0.2873798 0.0000000 5.4749785 -------------------------- Born effective charges -------------------------- 1 O -1.3560614 -0.1066686 -0.2803973 -0.3023456 -1.7387161 0.3463285 0.1073560 0.6396331 -3.0148103 2 O -1.3560614 0.1066686 -0.2803973 0.3023456 -1.7387161 -0.3463285 0.1073560 -0.6396331 -3.0148103 3 O -1.3560614 -0.1066686 -0.2803973 -0.3023456 -1.7387161 0.3463285 0.1073560 0.6396331 -3.0148103 4 O -1.3560614 0.1066686 -0.2803973 0.3023456 -1.7387161 -0.3463285 0.1073560 -0.6396331 -3.0148103 5 O -3.9230226 0.4656807 0.9838905 1.1562813 -1.6370982 -0.2112169 0.5390457 0.0294285 -1.6382612 6 O -3.9230226 -0.4656807 0.9838905 -1.1562813 -1.6370982 0.2112169 0.5390457 -0.0294285 -1.6382612 7 O -3.9230226 0.4656807 0.9838905 1.1562813 -1.6370982 -0.2112169 0.5390457 0.0294285 -1.6382612 8 O -3.9230226 -0.4656807 0.9838905 -1.1562813 -1.6370982 0.2112169 0.5390457 -0.0294285 -1.6382612 9 O -1.6080676 -0.1663818 -0.5888334 -0.0642988 -1.6404795 0.4491406 -0.9189029 0.1864891 -3.3999844 10 O -1.6080676 0.1663818 -0.5888334 0.0642988 -1.6404795 -0.4491406 -0.9189029 -0.1864891 -3.3999844 11 O -1.6080676 -0.1663818 -0.5888334 -0.0642988 -1.6404795 0.4491406 -0.9189029 0.1864891 -3.3999844 12 O -1.6080676 0.1663818 -0.5888334 0.0642988 -1.6404795 -0.4491406 -0.9189029 -0.1864891 -3.3999844 13 O -3.0603377 1.1704505 -0.8219736 0.8688926 -2.1847841 0.2912347 -0.2794647 0.1314636 -2.1207376 14 O -3.0603377 -1.1704505 -0.8219736 -0.8688926 -2.1847841 -0.2912347 -0.2794647 -0.1314636 -2.1207376 15 O -3.0603377 1.1704505 -0.8219736 0.8688926 -2.1847841 0.2912347 -0.2794647 0.1314636 -2.1207376 16 O -3.0603377 -1.1704505 -0.8219736 -0.8688926 -2.1847841 -0.2912347 -0.2794647 -0.1314636 -2.1207376 17 Ca 2.7025799 0.0000000 0.1067013 0.0000000 3.1485043 0.0000000 0.1568908 0.0000000 2.2921789 18 Ca 2.7025799 0.0000000 0.1067013 0.0000000 3.1485043 0.0000000 0.1568908 0.0000000 2.2921789 19 Te 6.5557040 0.0048529 0.7001168 0.9019541 3.9846161 -0.3710595 0.1294839 -1.0885737 6.7303709 20 Te 6.5557040 -0.0048529 0.7001168 -0.9019541 3.9846161 0.3710595 0.1294839 1.0885737 6.7303709 21 Te 5.3183474 1.3544783 0.3039048 1.5480879 3.6345178 0.7802326 0.4087786 0.4885527 5.6625186 22 Te 5.3183474 -1.3544783 0.3039048 -1.5480879 3.6345178 -0.7802326 0.4087786 -0.4885527 5.6625186 23 Te 5.3183474 1.3544783 0.3039048 1.5480879 3.6345178 0.7802326 0.4087786 0.4885527 5.6625186 24 Te 5.3183474 -1.3544783 0.3039048 -1.5480879 3.6345178 -0.7802326 0.4087786 -0.4885527 5.6625186 ---------------------------------------------------------------------------- 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Computing fc3[ 77, 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] [-0.0044 0.0000 0.0090] [ 0.0044 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:31:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:32:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.180521521003867 -2.835554740000000 0.000000000000000 b 6.180521521003867 2.835554740000000 0.000000000000000 c -4.476932871132679 0.000000000000000 9.069218021740941 Atomic positions (fractional): 1 O 0.42384330046643 0.21328006314469 0.09012586588514 15.999 2 O 0.78671993685531 0.57615669953357 0.40987413411486 15.999 3 O 0.57615669953357 0.78671993685531 0.90987413411486 15.999 4 O 0.21328006314469 0.42384330046643 0.59012586588514 15.999 5 O 0.99285519090494 0.80086686142456 0.09341997039376 15.999 6 O 0.19913313857544 0.00714480909506 0.40658002960624 15.999 7 O 0.00714480909506 0.19913313857544 0.90658002960624 15.999 8 O 0.80086686142456 0.99285519090494 0.59341997039376 15.999 9 O 0.69173950795696 0.14208354051853 0.34078170022946 15.999 10 O 0.85791645948147 0.30826049204304 0.15921829977054 15.999 11 O 0.30826049204304 0.85791645948147 0.65921829977054 15.999 12 O 0.14208354051853 0.69173950795696 0.84078170022946 15.999 13 O 0.65167421377952 0.13527355669494 0.87634771125794 15.999 14 O 0.86472644330506 0.34832578622048 0.62365228874206 15.999 15 O 0.34832578622048 0.86472644330506 0.12365228874206 15.999 16 O 0.13527355669494 0.65167421377952 0.37634771125794 15.999 17 Ca 0.43610696996061 0.56389303003939 0.25000000000000 40.078 18 Ca 0.56389303003939 0.43610696996061 0.75000000000000 40.078 19 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 20 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 21 Te 0.86533589695409 0.69093288781154 0.64019007518908 127.600 22 Te 0.30906711218846 0.13466410304591 0.85980992481092 127.600 23 Te 0.13466410304591 0.30906711218846 0.35980992481092 127.600 24 Te 0.69093288781154 0.86533589695409 0.14019007518908 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.361043042007735 0.000000000000000 0.000000000000000 b 0.000000000000000 11.342218959999999 0.000000000000000 c -4.476932871132679 0.000000000000000 9.069218021740941 Atomic positions (fractional): 1 O 0.81856168180556 0.19735919066957 0.09012586588514 15.999 > 1 2 O 0.81856168180556 0.69735919066957 0.09012586588514 15.999 > 1 3 O 0.18143831819444 0.19735919066957 0.40987413411486 15.999 > 3 4 O 0.18143831819444 0.69735919066957 0.40987413411486 15.999 > 3 5 O 0.18143831819444 0.30264080933043 0.90987413411486 15.999 > 5 6 O 0.18143831819444 0.80264080933043 0.90987413411486 15.999 > 5 7 O 0.81856168180556 0.30264080933043 0.59012586588514 15.999 > 7 8 O 0.81856168180556 0.80264080933043 0.59012586588514 15.999 > 7 9 O 0.89686102616475 0.45200291762990 0.09341997039376 15.999 > 9 10 O 0.89686102616475 0.95200291762990 0.09341997039376 15.999 > 9 11 O 0.10313897383525 0.45200291762990 0.40658002960624 15.999 > 11 12 O 0.10313897383525 0.95200291762990 0.40658002960624 15.999 > 11 13 O 0.10313897383525 0.04799708237010 0.90658002960624 15.999 > 13 14 O 0.10313897383525 0.54799708237010 0.90658002960624 15.999 > 13 15 O 0.89686102616475 0.04799708237010 0.59341997039376 15.999 > 15 16 O 0.89686102616475 0.54799708237010 0.59341997039376 15.999 > 15 17 O 0.91691152423774 0.11258600814039 0.34078170022946 15.999 > 17 18 O 0.91691152423774 0.61258600814039 0.34078170022946 15.999 > 17 19 O 0.58308847576226 0.36258600814039 0.15921829977054 15.999 > 19 20 O 0.58308847576226 0.86258600814039 0.15921829977054 15.999 > 19 21 O 0.08308847576226 0.38741399185961 0.65921829977054 15.999 > 21 22 O 0.08308847576226 0.88741399185961 0.65921829977054 15.999 > 21 23 O 0.41691152423774 0.13741399185961 0.84078170022946 15.999 > 23 24 O 0.41691152423774 0.63741399185961 0.84078170022946 15.999 > 23 25 O 0.39347388523723 0.37089983572886 0.87634771125794 15.999 > 25 26 O 0.39347388523723 0.87089983572886 0.87634771125794 15.999 > 25 27 O 0.10652611476277 0.12089983572886 0.62365228874206 15.999 > 27 28 O 0.10652611476277 0.62089983572885 0.62365228874206 15.999 > 27 29 O 0.60652611476277 0.12910016427114 0.12365228874206 15.999 > 29 30 O 0.60652611476277 0.62910016427114 0.12365228874206 15.999 > 29 31 O 0.89347388523723 0.37910016427114 0.37634771125794 15.999 > 31 32 O 0.89347388523723 0.87910016427114 0.37634771125794 15.999 > 31 33 O 0.31856168180556 0.44735919066957 0.09012586588514 15.999 > 1 34 O 0.31856168180556 0.94735919066957 0.09012586588514 15.999 > 1 35 O 0.68143831819444 0.44735919066957 0.40987413411486 15.999 > 3 36 O 0.68143831819444 0.94735919066957 0.40987413411486 15.999 > 3 37 O 0.68143831819444 0.05264080933043 0.90987413411486 15.999 > 5 38 O 0.68143831819444 0.55264080933043 0.90987413411486 15.999 > 5 39 O 0.31856168180556 0.05264080933043 0.59012586588514 15.999 > 7 40 O 0.31856168180556 0.55264080933043 0.59012586588514 15.999 > 7 41 O 0.39686102616475 0.20200291762990 0.09341997039376 15.999 > 9 42 O 0.39686102616475 0.70200291762990 0.09341997039376 15.999 > 9 43 O 0.60313897383525 0.20200291762990 0.40658002960624 15.999 > 11 44 O 0.60313897383525 0.70200291762990 0.40658002960624 15.999 > 11 45 O 0.60313897383525 0.29799708237010 0.90658002960624 15.999 > 13 46 O 0.60313897383525 0.79799708237010 0.90658002960624 15.999 > 13 47 O 0.39686102616475 0.29799708237010 0.59341997039376 15.999 > 15 48 O 0.39686102616475 0.79799708237010 0.59341997039376 15.999 > 15 49 O 0.41691152423774 0.36258600814039 0.34078170022946 15.999 > 17 50 O 0.41691152423774 0.86258600814039 0.34078170022946 15.999 > 17 51 O 0.08308847576226 0.11258600814039 0.15921829977054 15.999 > 19 52 O 0.08308847576226 0.61258600814039 0.15921829977054 15.999 > 19 53 O 0.58308847576226 0.13741399185961 0.65921829977054 15.999 > 21 54 O 0.58308847576226 0.63741399185961 0.65921829977054 15.999 > 21 55 O 0.91691152423774 0.38741399185961 0.84078170022946 15.999 > 23 56 O 0.91691152423774 0.88741399185961 0.84078170022946 15.999 > 23 57 O 0.89347388523723 0.12089983572886 0.87634771125794 15.999 > 25 58 O 0.89347388523723 0.62089983572885 0.87634771125794 15.999 > 25 59 O 0.60652611476277 0.37089983572885 0.62365228874206 15.999 > 27 60 O 0.60652611476277 0.87089983572885 0.62365228874206 15.999 > 27 61 O 0.10652611476277 0.37910016427114 0.12365228874206 15.999 > 29 62 O 0.10652611476277 0.87910016427114 0.12365228874206 15.999 > 29 63 O 0.39347388523723 0.12910016427115 0.37634771125794 15.999 > 31 64 O 0.39347388523723 0.62910016427115 0.37634771125794 15.999 > 31 65 Ca 0.00000000000000 0.28194651501969 0.25000000000000 40.078 > 65 66 Ca 0.00000000000000 0.78194651501969 0.25000000000000 40.078 > 65 67 Ca 0.00000000000000 0.21805348498031 0.75000000000000 40.078 > 67 68 Ca 0.00000000000000 0.71805348498031 0.75000000000000 40.078 > 67 69 Ca 0.50000000000000 0.03194651501969 0.25000000000000 40.078 > 65 70 Ca 0.50000000000000 0.53194651501969 0.25000000000000 40.078 > 65 71 Ca 0.50000000000000 0.46805348498031 0.75000000000000 40.078 > 67 72 Ca 0.50000000000000 0.96805348498031 0.75000000000000 40.078 > 67 73 Te 0.00000000000000 0.00000000000000 0.50000000000000 127.600 > 73 74 Te 0.00000000000000 0.50000000000000 0.50000000000000 127.600 > 73 75 Te 0.00000000000000 0.00000000000000 0.00000000000000 127.600 > 75 76 Te 0.00000000000000 0.50000000000000 0.00000000000000 127.600 > 75 77 Te 0.27813439238281 0.20639924771436 0.64019007518908 127.600 > 77 78 Te 0.27813439238281 0.70639924771436 0.64019007518908 127.600 > 77 79 Te 0.22186560761719 0.45639924771436 0.85980992481092 127.600 > 79 80 Te 0.22186560761719 0.95639924771436 0.85980992481092 127.600 > 79 81 Te 0.72186560761719 0.29360075228564 0.35980992481092 127.600 > 81 82 Te 0.72186560761719 0.79360075228564 0.35980992481092 127.600 > 81 83 Te 0.77813439238281 0.04360075228564 0.14019007518908 127.600 > 83 84 Te 0.77813439238281 0.54360075228564 0.14019007518908 127.600 > 83 85 Te 0.50000000000000 0.25000000000000 0.50000000000000 127.600 > 73 86 Te 0.50000000000000 0.75000000000000 0.50000000000000 127.600 > 73 87 Te 0.50000000000000 0.25000000000000 0.00000000000000 127.600 > 75 88 Te 0.50000000000000 0.75000000000000 0.00000000000000 127.600 > 75 89 Te 0.77813439238281 0.45639924771436 0.64019007518908 127.600 > 77 90 Te 0.77813439238281 0.95639924771436 0.64019007518908 127.600 > 77 91 Te 0.72186560761719 0.20639924771436 0.85980992481092 127.600 > 79 92 Te 0.72186560761719 0.70639924771436 0.85980992481092 127.600 > 79 93 Te 0.22186560761719 0.04360075228564 0.35980992481092 127.600 > 81 94 Te 0.22186560761719 0.54360075228564 0.35980992481092 127.600 > 81 95 Te 0.27813439238281 0.29360075228564 0.14019007518908 127.600 > 83 96 Te 0.27813439238281 0.79360075228564 0.14019007518908 127.600 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7929527 0.0000000 0.2873804 0.0000000 4.4100309 0.0000000 0.2873798 0.0000000 5.4749785 -------------------------- Born effective charges -------------------------- 1 O -1.3560614 -0.1066686 -0.2803973 -0.3023456 -1.7387161 0.3463285 0.1073560 0.6396331 -3.0148103 2 O -1.3560614 0.1066686 -0.2803973 0.3023456 -1.7387161 -0.3463285 0.1073560 -0.6396331 -3.0148103 3 O -1.3560614 -0.1066686 -0.2803973 -0.3023456 -1.7387161 0.3463285 0.1073560 0.6396331 -3.0148103 4 O -1.3560614 0.1066686 -0.2803973 0.3023456 -1.7387161 -0.3463285 0.1073560 -0.6396331 -3.0148103 5 O -3.9230226 0.4656807 0.9838905 1.1562813 -1.6370982 -0.2112169 0.5390457 0.0294285 -1.6382612 6 O -3.9230226 -0.4656807 0.9838905 -1.1562813 -1.6370982 0.2112169 0.5390457 -0.0294285 -1.6382612 7 O -3.9230226 0.4656807 0.9838905 1.1562813 -1.6370982 -0.2112169 0.5390457 0.0294285 -1.6382612 8 O -3.9230226 -0.4656807 0.9838905 -1.1562813 -1.6370982 0.2112169 0.5390457 -0.0294285 -1.6382612 9 O -1.6080676 -0.1663818 -0.5888334 -0.0642988 -1.6404795 0.4491406 -0.9189029 0.1864891 -3.3999844 10 O -1.6080676 0.1663818 -0.5888334 0.0642988 -1.6404795 -0.4491406 -0.9189029 -0.1864891 -3.3999844 11 O -1.6080676 -0.1663818 -0.5888334 -0.0642988 -1.6404795 0.4491406 -0.9189029 0.1864891 -3.3999844 12 O -1.6080676 0.1663818 -0.5888334 0.0642988 -1.6404795 -0.4491406 -0.9189029 -0.1864891 -3.3999844 13 O -3.0603377 1.1704505 -0.8219736 0.8688926 -2.1847841 0.2912347 -0.2794647 0.1314636 -2.1207376 14 O -3.0603377 -1.1704505 -0.8219736 -0.8688926 -2.1847841 -0.2912347 -0.2794647 -0.1314636 -2.1207376 15 O -3.0603377 1.1704505 -0.8219736 0.8688926 -2.1847841 0.2912347 -0.2794647 0.1314636 -2.1207376 16 O -3.0603377 -1.1704505 -0.8219736 -0.8688926 -2.1847841 -0.2912347 -0.2794647 -0.1314636 -2.1207376 17 Ca 2.7025799 0.0000000 0.1067013 0.0000000 3.1485043 0.0000000 0.1568908 0.0000000 2.2921789 18 Ca 2.7025799 0.0000000 0.1067013 0.0000000 3.1485043 0.0000000 0.1568908 0.0000000 2.2921789 19 Te 6.5557040 0.0048529 0.7001168 0.9019541 3.9846161 -0.3710595 0.1294839 -1.0885737 6.7303709 20 Te 6.5557040 -0.0048529 0.7001168 -0.9019541 3.9846161 0.3710595 0.1294839 1.0885737 6.7303709 21 Te 5.3183474 1.3544783 0.3039048 1.5480879 3.6345178 0.7802326 0.4087786 0.4885527 5.6625186 22 Te 5.3183474 -1.3544783 0.3039048 -1.5480879 3.6345178 -0.7802326 0.4087786 -0.4885527 5.6625186 23 Te 5.3183474 1.3544783 0.3039048 1.5480879 3.6345178 0.7802326 0.4087786 0.4885527 5.6625186 24 Te 5.3183474 -1.3544783 0.3039048 -1.5480879 3.6345178 -0.7802326 0.4087786 -0.4885527 5.6625186 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000003 (yyy) 0.00000003 (yyy) 0.00000003 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 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: 0.61, Number of G-points: 293, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/172) ======================= 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 0.000) 0.000 3.057 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.368 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 0.000) 0.000 5.323 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.473 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.341 ( 0.000 0.000 0.000) 0.000 7.630 ( 0.000 0.000 0.000) 0.000 7.739 ( 0.000 0.000 0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 8.205 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.263 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 9.057 ( 0.000 0.000 0.000) 0.000 9.085 ( 0.000 0.000 0.000) 0.000 9.725 ( 0.000 0.000 0.000) 0.000 10.036 ( 0.000 0.000 0.000) 0.000 10.364 ( 0.000 0.000 0.000) 0.000 11.062 ( 0.000 0.000 0.000) 0.000 11.641 ( 0.000 0.000 0.000) 0.000 11.654 ( 0.000 0.000 0.000) 0.000 11.897 ( 0.000 0.000 0.000) 0.000 12.582 ( 0.000 0.000 0.000) 0.000 12.609 ( 0.000 0.000 0.000) 0.000 13.099 ( 0.000 0.000 0.000) 0.000 13.197 ( 0.000 0.000 0.000) 0.000 13.249 ( 0.000 0.000 0.000) 0.000 13.755 ( 0.000 0.000 0.000) 0.000 13.941 ( 0.000 0.000 0.000) 0.000 13.971 ( 0.000 0.000 0.000) 0.000 14.578 ( 0.000 0.000 0.000) 0.000 14.902 ( 0.000 0.000 0.000) 0.000 14.914 ( 0.000 0.000 0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 16.140 ( 0.000 0.000 0.000) 0.000 16.157 ( 0.000 0.000 0.000) 0.000 16.341 ( 0.000 0.000 0.000) 0.000 17.366 ( 0.000 0.000 0.000) 0.000 17.870 ( 0.000 0.000 0.000) 0.000 17.878 ( 0.000 0.000 0.000) 0.000 18.530 ( 0.000 0.000 0.000) 0.000 18.622 ( 0.000 0.000 0.000) 0.000 18.922 ( 0.000 0.000 0.000) 0.000 19.725 ( 0.000 0.000 0.000) 0.000 19.870 ( 0.000 0.000 0.000) 0.000 20.166 ( 0.000 0.000 0.000) 0.000 20.604 ( 0.000 0.000 0.000) 0.000 20.671 ( 0.000 0.000 0.000) 0.000 21.480 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/172) ======================= q-point: ( 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 4.664 -25.835 -0.327) 26.254 0.618 ( 21.773 -22.339 8.702) 32.386 0.928 ( 26.068 -33.801 22.253) 48.138 2.205 ( 7.363 0.692 3.233) 8.071 2.711 ( -0.160 -5.694 -10.334) 11.800 2.932 ( -0.013 2.658 -1.635) 3.121 2.959 ( -2.325 -1.883 0.168) 2.997 3.181 ( 3.445 -0.718 6.028) 6.979 3.637 ( -3.828 -0.802 -5.412) 6.677 3.760 ( 0.949 0.540 10.663) 10.719 4.178 ( -7.325 -0.461 -13.588) 15.443 4.368 ( -3.429 1.267 8.304) 9.073 4.759 ( -1.527 2.107 6.022) 6.560 5.213 ( -2.339 7.669 -9.013) 12.063 5.279 ( 0.491 3.105 -3.474) 4.685 5.340 ( -0.519 1.384 5.848) 6.032 5.472 ( -1.052 -1.127 0.368) 1.585 5.564 ( -0.214 -0.825 2.577) 2.715 5.608 ( 5.911 -0.518 1.444) 6.107 5.989 ( 0.005 -1.969 2.818) 3.438 6.033 ( -2.529 -8.391 -2.741) 9.182 6.225 ( -3.325 4.463 26.224) 26.808 6.456 ( 1.861 1.165 -4.053) 4.609 6.561 ( -11.633 0.530 -12.926) 17.398 6.910 ( 4.764 -2.524 12.615) 13.719 7.040 ( 10.180 -0.115 -1.328) 10.267 7.283 ( -0.442 -0.371 -8.179) 8.200 7.351 ( -4.562 -3.324 6.315) 8.470 7.642 ( 0.094 -0.724 1.549) 1.712 7.754 ( 2.347 -1.335 -0.348) 2.722 7.927 ( -9.802 -4.127 6.187) 12.304 8.137 ( -6.483 2.097 20.551) 21.651 8.209 ( 2.452 3.573 -8.916) 9.914 8.259 ( -1.296 -1.386 1.447) 2.386 8.797 ( 56.569 15.669 -23.821) 63.348 8.978 ( 11.529 2.843 -3.153) 12.285 9.087 ( -0.469 -1.251 -2.782) 3.086 9.152 ( 10.465 0.594 -13.307) 16.940 9.777 ( 2.299 4.829 22.988) 23.602 10.353 ( -4.209 -0.398 3.516) 5.499 10.598 ( -9.772 -11.095 -8.170) 16.893 11.063 ( -0.783 -0.465 -0.122) 0.919 11.629 ( -0.623 0.709 -2.674) 2.836 11.678 ( 3.458 -0.377 -7.294) 8.082 12.237 ( 35.491 25.113 34.015) 55.203 12.581 ( 0.859 2.236 -1.854) 3.029 12.637 ( 4.631 0.302 -6.662) 8.119 13.100 ( 4.565 11.982 19.391) 23.246 13.231 ( 2.200 0.102 2.711) 3.493 13.363 ( 4.112 -0.661 20.987) 21.397 13.713 ( 0.215 3.662 -0.529) 3.706 13.993 ( -0.288 -2.468 0.283) 2.501 14.060 ( -0.322 -6.070 1.469) 6.253 14.773 ( -17.225 1.812 -2.311) 17.473 14.941 ( 7.001 0.737 2.340) 7.418 15.042 ( 5.592 -4.175 1.339) 7.106 15.383 ( 6.289 -11.706 11.851) 17.805 16.196 ( 10.963 -0.364 0.142) 10.970 16.271 ( -15.902 -0.010 0.586) 15.913 17.294 ( 23.995 2.968 -10.897) 26.520 17.426 ( 14.541 8.062 11.877) 20.433 17.887 ( 0.051 -1.624 0.868) 1.842 18.443 ( -10.997 -0.662 -14.494) 18.206 18.599 ( -0.297 0.103 1.567) 1.598 18.884 ( 1.374 -4.194 -11.621) 12.430 19.644 ( -8.476 3.852 24.522) 26.230 19.760 ( -3.722 0.749 18.674) 19.056 19.906 ( -3.987 -3.619 10.284) 11.608 20.344 ( 47.966 12.622 -33.864) 60.057 20.605 ( 0.365 0.483 1.806) 1.905 20.662 ( -0.323 0.673 0.036) 0.747 21.664 ( -2.435 2.278 -5.759) 6.655 ======================= Grid point 2 (3/172) ======================= q-point: ( 0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 3.468 -20.975 -0.412) 21.264 1.196 ( 18.551 -20.706 7.297) 28.743 1.751 ( 17.442 -28.513 20.819) 39.378 2.298 ( 13.264 -0.528 1.291) 13.338 2.736 ( 2.690 -1.547 -6.710) 7.393 2.915 ( 1.277 -0.082 -1.377) 1.880 3.050 ( 1.942 -6.558 -1.234) 6.950 3.230 ( 6.283 1.173 9.058) 11.086 3.548 ( -8.659 2.316 -5.230) 10.378 3.819 ( -0.895 -1.485 10.051) 10.199 4.066 ( -6.209 0.824 -13.147) 14.563 4.336 ( -5.484 0.514 5.505) 7.787 4.704 ( -3.808 3.130 -0.803) 4.994 5.028 ( -0.339 6.896 -8.754) 11.149 5.202 ( 2.178 7.590 3.311) 8.562 5.272 ( -5.114 5.334 5.159) 9.012 5.522 ( 2.498 0.947 -7.892) 8.331 5.544 ( 0.197 -3.709 3.246) 4.933 5.695 ( 6.194 1.037 9.337) 11.253 6.047 ( -1.026 -3.898 3.545) 5.368 6.123 ( -5.230 -3.587 2.177) 6.705 6.254 ( 2.214 -2.468 2.482) 4.141 6.453 ( -2.229 -1.223 -3.993) 4.734 6.479 ( -0.280 -4.588 -8.189) 9.391 6.963 ( -0.221 1.305 -2.521) 2.848 7.135 ( 10.182 0.886 6.064) 11.884 7.269 ( 0.396 -1.498 -6.098) 6.292 7.440 ( 5.942 -4.324 3.332) 8.069 7.657 ( -0.505 0.243 4.007) 4.046 7.801 ( 2.844 -1.428 -0.315) 3.198 7.946 ( -2.512 -2.288 -0.029) 3.398 8.125 ( 4.137 3.013 6.042) 7.918 8.147 ( -4.575 0.827 0.168) 4.652 8.294 ( -2.316 -3.157 3.379) 5.172 8.829 ( 8.015 3.517 -5.808) 10.505 9.064 ( 16.777 0.934 -2.372) 16.970 9.093 ( -0.933 -1.390 -2.887) 3.337 9.174 ( 11.203 0.233 -13.211) 17.323 9.806 ( 3.650 3.905 17.231) 18.041 10.353 ( -3.351 -1.169 5.739) 6.748 10.689 ( -1.493 -6.717 -5.093) 8.561 11.057 ( -1.605 0.180 -0.323) 1.647 11.593 ( -0.638 0.841 -3.654) 3.804 11.695 ( 0.356 -2.045 -2.668) 3.380 12.204 ( 13.213 12.242 14.799) 23.312 12.538 ( 2.811 2.500 -5.348) 6.538 12.630 ( 3.739 1.284 -5.953) 7.146 13.015 ( 3.115 8.026 9.628) 12.915 13.267 ( 3.076 -0.633 1.909) 3.675 13.466 ( -0.496 -1.626 12.006) 12.126 13.654 ( -0.514 2.165 -0.668) 2.324 14.046 ( -0.736 -3.730 -1.042) 3.942 14.183 ( 1.291 -6.061 0.497) 6.217 14.629 ( -10.539 -0.658 -4.030) 11.303 15.009 ( 10.422 1.141 3.524) 11.060 15.213 ( 7.728 -6.789 4.137) 11.087 15.735 ( 18.461 -12.084 8.417) 23.615 16.110 ( -10.814 4.380 -0.930) 11.705 16.338 ( 4.163 -7.743 0.098) 8.792 17.403 ( 7.993 -2.588 -2.852) 8.872 17.462 ( 17.813 6.539 6.771) 20.147 17.934 ( 0.009 -3.131 1.464) 3.456 18.288 ( -11.977 0.522 -15.720) 19.769 18.572 ( -6.606 0.265 -0.409) 6.624 18.915 ( 2.120 -0.445 -0.091) 2.168 19.627 ( 4.872 2.263 1.333) 5.534 19.777 ( -0.130 1.292 7.590) 7.701 20.009 ( -0.917 -4.893 12.103) 13.087 20.376 ( 18.439 3.410 -16.347) 24.877 20.601 ( -0.798 1.127 3.945) 4.180 20.656 ( 1.878 0.271 -0.257) 1.915 21.547 ( -0.436 7.369 -3.413) 8.132 ======================= Grid point 3 (4/172) ======================= q-point: ( 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 2.379 -14.218 -0.867) 14.442 1.691 ( 13.440 -17.251 5.894) 22.649 2.344 ( 6.873 -18.210 18.945) 27.161 2.444 ( 13.765 -4.756 -5.701) 15.640 2.802 ( 4.647 -0.890 6.831) 8.310 2.910 ( 0.510 -1.097 -7.343) 7.442 3.119 ( 3.551 0.543 -1.395) 3.853 3.361 ( -1.148 -4.278 9.526) 10.505 3.406 ( -0.302 3.172 -4.375) 5.412 3.852 ( -2.450 1.216 4.228) 5.036 3.943 ( -6.380 0.694 -8.290) 10.483 4.339 ( -3.933 -3.700 2.022) 5.766 4.589 ( -0.203 6.118 -3.642) 7.123 4.909 ( 1.756 4.320 -7.143) 8.531 5.048 ( -5.771 10.140 11.250) 16.208 5.167 ( -3.323 3.264 -1.648) 4.941 5.478 ( 3.416 1.845 -7.395) 8.352 5.654 ( -0.833 -5.656 3.919) 6.931 5.744 ( 5.380 1.519 8.753) 10.386 6.119 ( -2.438 -1.180 -1.721) 3.209 6.158 ( 2.159 -4.426 5.307) 7.240 6.313 ( 1.665 -2.207 -0.992) 2.938 6.454 ( -1.059 -2.126 -2.977) 3.809 6.616 ( 4.633 -8.949 -2.910) 10.489 6.862 ( -3.890 4.493 -10.399) 11.977 7.192 ( -0.171 -0.198 6.021) 6.026 7.284 ( 0.891 -1.437 -3.938) 4.286 7.591 ( 11.663 -1.618 -1.654) 11.891 7.668 ( 2.491 0.659 6.047) 6.574 7.849 ( 3.596 -0.452 4.543) 5.811 7.971 ( 0.831 -1.937 -2.713) 3.435 8.095 ( -3.485 0.932 1.096) 3.770 8.172 ( 5.546 -1.161 3.634) 6.732 8.349 ( -5.009 -4.247 3.654) 7.515 8.787 ( -0.735 1.823 -4.157) 4.598 9.071 ( -1.986 0.648 -1.031) 2.330 9.136 ( -0.630 -1.634 -1.357) 2.215 9.256 ( 20.440 0.200 -11.808) 23.607 9.831 ( 3.616 3.452 12.995) 13.924 10.387 ( -0.914 -1.684 6.910) 7.170 10.748 ( -2.592 -3.699 -5.019) 6.752 11.028 ( -0.870 1.582 -0.378) 1.845 11.580 ( 1.102 -0.621 -0.809) 1.501 11.732 ( -1.136 -3.284 -1.461) 3.770 12.126 ( 3.871 8.750 3.193) 10.087 12.504 ( 4.100 2.135 -4.627) 6.541 12.614 ( 2.865 1.380 -2.515) 4.054 12.937 ( 2.061 6.586 4.718) 8.360 13.311 ( 2.989 -0.587 1.333) 3.324 13.511 ( -2.712 -1.003 6.506) 7.119 13.627 ( -0.621 0.365 0.409) 0.828 14.081 ( -1.948 -1.564 -1.277) 2.806 14.276 ( 1.662 -2.610 1.513) 3.445 14.617 ( -5.681 -7.440 -5.569) 10.892 15.081 ( 10.728 2.862 4.918) 12.143 15.406 ( 4.956 -6.419 5.728) 9.928 15.916 ( -12.230 2.994 2.319) 12.803 16.208 ( 28.193 -14.044 -1.607) 31.538 16.522 ( 6.335 -7.489 0.954) 9.855 17.456 ( 1.670 1.963 8.255) 8.647 17.541 ( 13.320 1.101 -1.969) 13.510 17.993 ( -3.421 -2.795 -2.017) 4.856 18.130 ( -5.672 1.341 -8.566) 10.361 18.476 ( -12.301 0.991 -2.213) 12.537 18.940 ( 3.106 0.297 1.745) 3.575 19.650 ( 8.115 0.613 -4.236) 9.174 19.780 ( -0.228 0.933 5.532) 5.615 20.140 ( 4.509 -2.816 8.681) 10.179 20.377 ( 2.042 -0.198 -10.184) 10.389 20.594 ( -0.605 0.842 4.776) 4.888 20.687 ( 4.053 -1.471 -1.104) 4.451 21.380 ( 0.221 9.750 -2.602) 10.094 ======================= Grid point 4 (5/172) ======================= q-point: ( 0.40 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 1.313 -7.066 -1.036) 7.262 2.056 ( 7.974 -11.561 4.800) 14.842 2.603 ( 10.987 -4.012 -4.141) 12.408 2.682 ( -4.815 -10.399 1.793) 11.599 2.816 ( 4.483 3.736 14.649) 15.769 2.943 ( 1.327 -2.218 -2.373) 3.509 3.126 ( 2.863 0.255 1.022) 3.051 3.277 ( -3.825 1.551 -3.537) 5.436 3.505 ( 3.829 -1.908 1.328) 4.480 3.696 ( -7.984 7.127 -5.438) 12.005 3.967 ( 0.135 -3.815 1.716) 4.186 4.395 ( -3.766 -4.279 1.706) 5.950 4.489 ( 3.507 4.707 -3.532) 6.851 4.786 ( -0.147 8.021 -0.217) 8.025 4.952 ( -3.272 -0.125 4.416) 5.497 5.083 ( -2.081 2.577 -1.823) 3.781 5.455 ( 2.553 1.073 -4.015) 4.878 5.756 ( -0.577 -4.398 3.720) 5.789 5.820 ( 4.732 -1.640 7.588) 9.092 6.099 ( 0.533 0.372 -5.176) 5.216 6.254 ( 2.789 -1.367 3.514) 4.690 6.373 ( -1.466 -3.094 2.772) 4.405 6.463 ( -0.394 -0.541 -2.919) 2.994 6.679 ( -2.049 6.181 -5.489) 8.516 6.798 ( 2.273 -6.844 -4.965) 8.755 7.215 ( -4.035 -2.786 4.882) 6.920 7.294 ( 1.110 -0.422 -4.006) 4.178 7.597 ( 2.730 3.885 -2.721) 5.473 7.756 ( 8.323 -1.615 1.050) 8.543 7.896 ( 0.436 0.522 6.916) 6.949 7.983 ( -3.372 -0.570 0.359) 3.439 8.124 ( 11.446 -0.844 1.479) 11.572 8.259 ( 3.862 -2.378 1.608) 4.812 8.363 ( -10.818 -2.859 0.287) 11.193 8.737 ( -1.631 0.660 -2.427) 2.998 9.037 ( -1.527 0.922 -0.347) 1.817 9.140 ( -0.683 -0.654 -2.011) 2.222 9.354 ( 10.984 -0.311 -5.762) 12.407 9.846 ( 2.225 2.122 7.156) 7.788 10.446 ( 1.333 -1.456 6.078) 6.391 10.732 ( -4.894 -0.720 -5.163) 7.150 10.999 ( 0.800 1.258 -0.138) 1.497 11.630 ( 3.539 -1.988 2.877) 4.976 11.777 ( -2.867 -4.113 -0.557) 5.044 11.989 ( 0.131 7.863 -3.860) 8.760 12.492 ( 2.754 1.026 -2.034) 3.575 12.614 ( 1.848 0.289 0.034) 1.871 12.859 ( 0.815 4.555 1.404) 4.835 13.343 ( 1.654 -0.542 0.171) 1.748 13.519 ( -2.127 -0.191 3.018) 3.697 13.626 ( -0.361 -0.133 1.062) 1.130 14.068 ( -1.830 0.176 -0.949) 2.069 14.325 ( 1.207 -1.146 1.117) 2.004 14.715 ( -2.498 -8.300 -5.143) 10.078 15.107 ( 6.863 4.456 5.028) 9.604 15.558 ( 4.185 -4.318 4.756) 7.667 15.779 ( -10.330 1.654 -1.685) 10.596 16.622 ( 12.106 -6.638 -1.647) 13.904 16.760 ( 23.038 -11.741 1.164) 25.884 17.417 ( -6.924 4.723 6.465) 10.585 17.594 ( 4.299 0.652 -0.846) 4.429 17.892 ( -6.836 2.524 -6.607) 9.836 18.152 ( 2.569 -2.337 1.826) 3.924 18.349 ( -10.367 0.849 -2.931) 10.806 18.966 ( 2.393 0.102 1.121) 2.645 19.693 ( 6.311 -0.507 -5.070) 8.112 19.789 ( -0.204 0.249 5.050) 5.060 20.218 ( 6.288 2.301 3.112) 7.383 20.358 ( -5.030 -3.112 -3.698) 6.976 20.595 ( -0.589 0.435 2.956) 3.045 20.767 ( 3.311 -4.425 -1.385) 5.698 21.201 ( 0.039 9.223 -1.371) 9.324 ======================= Grid point 5 (6/172) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -0.000 -0.000 0.000) 0.000 2.220 ( -0.000 -0.000 0.000) 0.000 2.677 ( -0.002 -0.001 -0.001) 0.002 2.679 ( 0.002 0.001 0.001) 0.002 2.900 ( 0.000 -0.000 0.000) 0.000 2.961 ( 0.000 -0.000 -0.000) 0.000 3.157 ( 0.000 -0.000 -0.000) 0.000 3.245 ( 0.000 -0.000 -0.000) 0.000 3.542 ( -0.000 0.000 0.000) 0.000 3.545 ( 0.000 -0.000 -0.000) 0.000 4.012 ( 0.000 -0.000 -0.000) 0.000 4.422 ( 0.000 0.000 -0.000) 0.000 4.454 ( -0.000 -0.000 0.000) 0.000 4.705 ( -0.000 -0.000 0.000) 0.000 4.958 ( 0.000 -0.000 -0.000) 0.000 5.046 ( -0.000 -0.000 0.000) 0.000 5.447 ( 0.000 -0.000 0.000) 0.000 5.802 ( 0.000 -0.000 -0.000) 0.000 5.893 ( -0.000 -0.000 0.000) 0.000 6.086 ( -0.000 -0.000 -0.000) 0.000 6.301 ( 0.000 -0.000 -0.000) 0.000 6.351 ( 0.000 -0.000 0.000) 0.000 6.477 ( 0.000 -0.000 0.000) 0.000 6.595 ( 0.000 -0.000 0.000) 0.000 6.862 ( 0.000 -0.000 -0.000) 0.000 7.258 ( -0.000 -0.000 0.000) 0.000 7.282 ( 0.000 0.000 -0.000) 0.000 7.553 ( -0.000 -0.000 -0.000) 0.000 7.819 ( 0.000 -0.000 -0.000) 0.000 7.897 ( -0.000 0.000 0.000) 0.000 7.970 ( -0.000 -0.000 -0.000) 0.000 8.249 ( 0.000 -0.000 0.000) 0.000 8.279 ( -0.000 -0.000 -0.000) 0.000 8.309 ( 0.000 -0.000 0.000) 0.000 8.723 ( 0.000 -0.000 -0.000) 0.000 9.020 ( -0.000 -0.000 0.000) 0.000 9.138 ( -0.000 -0.000 -0.000) 0.000 9.390 ( 0.000 -0.000 -0.000) 0.000 9.850 ( 0.000 -0.000 0.000) 0.000 10.484 ( 0.000 -0.000 -0.000) 0.000 10.696 ( 0.000 -0.000 -0.000) 0.000 10.992 ( 0.000 -0.000 -0.000) 0.000 11.685 ( 0.000 -0.000 0.000) 0.000 11.835 ( -0.000 -0.000 -0.000) 0.000 11.860 ( -0.000 -0.000 -0.000) 0.000 12.491 ( -0.000 -0.000 -0.000) 0.000 12.623 ( 0.000 -0.000 0.000) 0.000 12.820 ( 0.000 -0.000 0.000) 0.000 13.355 ( -0.000 -0.000 0.000) 0.000 13.516 ( -0.000 -0.000 0.000) 0.000 13.629 ( -0.000 -0.000 -0.000) 0.000 14.055 ( 0.000 -0.000 0.000) 0.000 14.342 ( 0.000 -0.000 0.000) 0.000 14.778 ( 0.000 -0.000 -0.000) 0.000 15.098 ( 0.000 -0.000 -0.000) 0.000 15.664 ( -0.000 0.000 -0.000) 0.000 15.678 ( 0.000 -0.000 0.000) 0.000 16.704 ( 0.000 -0.000 0.000) 0.000 17.159 ( 0.000 -0.000 -0.000) 0.000 17.195 ( -0.000 0.000 -0.000) 0.000 17.596 ( -0.000 -0.000 0.000) 0.000 17.831 ( 0.000 -0.000 0.000) 0.000 18.192 ( 0.000 -0.000 0.000) 0.000 18.288 ( 0.000 -0.000 -0.000) 0.000 18.978 ( -0.000 -0.000 0.000) 0.000 19.714 ( 0.000 -0.000 0.000) 0.000 19.800 ( -0.000 -0.000 0.000) 0.000 20.216 ( 0.000 -0.000 0.000) 0.000 20.366 ( -0.000 -0.000 -0.000) 0.000 20.594 ( 0.000 -0.000 -0.000) 0.000 20.839 ( 0.000 -0.000 0.000) 0.000 21.094 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/172) ======================= q-point: ( 0.10 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 22.072 0.000 15.767) 27.125 0.720 ( 41.255 0.000 3.403) 41.395 1.044 ( 41.826 0.000 41.577) 58.975 2.316 ( 11.825 0.000 7.821) 14.178 2.623 ( 2.923 0.000 -14.073) 14.374 2.798 ( -0.239 -0.000 -5.232) 5.238 3.083 ( 2.282 0.000 1.072) 2.521 3.191 ( 6.217 0.000 7.704) 9.899 3.572 ( -8.509 -0.000 -2.805) 8.959 3.821 ( -1.405 -0.000 10.854) 10.945 4.068 ( -6.228 -0.000 -11.110) 12.736 4.357 ( -6.953 -0.000 5.461) 8.841 4.769 ( -10.927 -0.000 3.560) 11.492 5.211 ( 0.792 0.000 -12.575) 12.600 5.296 ( -3.426 -0.000 0.141) 3.429 5.343 ( 0.932 0.000 7.252) 7.311 5.524 ( -3.023 -0.000 1.739) 3.488 5.574 ( 7.513 0.000 5.999) 9.615 5.627 ( 10.992 0.000 -1.307) 11.070 5.955 ( -1.051 -0.000 -0.216) 1.073 5.978 ( -1.535 -0.000 5.050) 5.278 6.397 ( -11.447 -0.000 26.068) 28.470 6.430 ( -7.778 -0.000 -11.614) 13.978 6.466 ( 3.625 0.000 -7.966) 8.752 6.904 ( 6.555 0.000 6.892) 9.512 7.218 ( -7.025 -0.000 -9.241) 11.608 7.238 ( 20.897 0.000 9.540) 22.972 7.261 ( -3.795 -0.000 3.614) 5.240 7.657 ( 2.197 0.000 1.898) 2.903 7.765 ( 3.058 0.000 -1.119) 3.256 7.872 ( -3.260 -0.000 4.766) 5.774 8.180 ( 1.473 0.000 1.381) 2.020 8.239 ( -2.738 -0.000 2.534) 3.731 8.241 ( -2.325 -0.000 6.509) 6.912 8.944 ( 0.130 0.000 -10.593) 10.594 9.030 ( 0.009 0.000 -5.310) 5.310 9.087 ( -1.225 -0.000 2.004) 2.349 9.369 ( 33.910 0.000 -58.483) 67.603 10.118 ( 7.648 0.000 4.106) 8.681 10.217 ( -11.187 -0.000 22.717) 25.322 10.370 ( 0.604 0.000 0.633) 0.875 11.072 ( 1.683 0.000 -1.381) 2.177 11.623 ( -1.134 -0.000 -1.889) 2.203 11.651 ( -0.218 -0.000 -7.061) 7.065 12.563 ( -0.820 -0.000 -2.669) 2.792 12.614 ( 4.651 0.000 -7.436) 8.771 12.788 ( 6.318 0.000 -3.879) 7.414 13.244 ( 4.215 0.000 1.369) 4.432 13.257 ( 0.142 0.000 2.416) 2.420 13.751 ( -2.519 -0.000 2.129) 3.298 13.911 ( -2.924 -0.000 -2.337) 3.743 13.935 ( 2.221 0.000 0.117) 2.224 14.105 ( -44.884 -0.000 54.428) 70.548 14.538 ( -2.822 -0.000 -1.425) 3.162 15.045 ( 14.313 0.000 1.796) 14.425 15.070 ( 16.810 0.000 2.981) 17.072 15.353 ( 3.829 0.000 29.037) 29.288 15.913 ( -12.052 -0.000 -3.345) 12.508 16.647 ( 19.778 0.000 4.782) 20.348 17.339 ( 6.132 0.000 -5.987) 8.570 17.859 ( 1.837 0.000 -5.926) 6.204 17.880 ( -0.245 -0.000 3.010) 3.020 18.579 ( 3.716 0.000 2.629) 4.552 18.582 ( 14.791 0.000 -33.367) 36.499 18.601 ( -1.164 -0.000 -1.903) 2.231 19.678 ( -33.878 -0.000 59.518) 68.484 19.740 ( 1.142 0.000 1.218) 1.670 19.874 ( -0.837 -0.000 1.565) 1.774 20.621 ( 0.483 0.000 2.924) 2.964 20.647 ( -3.279 -0.000 0.362) 3.299 21.084 ( 33.140 0.000 -65.573) 73.471 21.481 ( -0.792 -0.000 1.617) 1.801 ======================= Grid point 13 (8/172) ======================= q-point: ( 0.20 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 22.327 -10.914 10.816) 27.103 1.148 ( 32.637 -10.085 3.743) 34.364 1.665 ( 30.112 -14.261 35.724) 48.850 2.431 ( 12.264 1.936 5.460) 13.563 2.647 ( 5.443 -5.106 -11.655) 13.840 2.839 ( -0.704 -5.941 -8.141) 10.103 3.065 ( 4.584 2.627 3.331) 6.246 3.319 ( 8.755 -2.304 5.472) 10.578 3.483 ( -9.934 0.926 -0.047) 9.977 3.836 ( -3.166 0.548 10.701) 11.173 3.967 ( -6.455 0.066 -12.981) 14.497 4.302 ( -10.347 0.302 4.468) 11.274 4.677 ( -8.426 0.867 -1.212) 8.556 5.108 ( 0.235 5.728 -10.627) 12.075 5.270 ( -1.024 1.112 -2.159) 2.636 5.372 ( -3.659 2.284 9.697) 10.613 5.494 ( -0.134 -0.747 -0.692) 1.027 5.600 ( 7.530 5.017 -0.600) 9.069 5.774 ( 9.188 -2.439 6.061) 11.274 5.978 ( -4.002 -2.455 2.181) 5.177 6.008 ( -1.953 -4.527 3.234) 5.896 6.331 ( -1.591 3.530 7.192) 8.168 6.366 ( -1.629 -0.215 -2.543) 3.028 6.461 ( 5.360 0.255 -8.886) 10.380 6.973 ( 2.472 1.493 -3.694) 4.689 7.166 ( -6.570 -4.167 -0.391) 7.790 7.233 ( -0.564 0.643 -0.023) 0.856 7.490 ( 21.442 -2.811 8.013) 23.062 7.685 ( 2.121 0.049 3.389) 3.999 7.796 ( 2.698 -1.453 -1.312) 3.334 7.877 ( -3.480 -2.143 0.607) 4.131 8.144 ( -0.125 1.976 -7.773) 8.021 8.224 ( -0.678 0.673 1.819) 2.055 8.275 ( 0.143 0.424 13.759) 13.766 8.861 ( -1.858 2.141 -11.805) 12.141 9.031 ( -0.124 -2.195 -7.334) 7.656 9.089 ( -1.973 -0.648 2.500) 3.250 9.368 ( 26.442 5.192 -27.014) 38.156 10.035 ( 4.591 8.612 18.355) 20.788 10.326 ( -2.907 -2.378 9.027) 9.778 10.489 ( -0.034 -10.206 -3.373) 10.749 11.072 ( 1.609 0.777 -1.488) 2.325 11.590 ( -0.774 0.885 -3.496) 3.689 11.640 ( -1.712 -1.830 -3.677) 4.450 12.520 ( 0.627 4.262 -2.145) 4.813 12.590 ( 3.123 3.961 -3.946) 6.405 12.745 ( 7.822 7.439 1.806) 10.944 13.213 ( -0.064 6.031 2.041) 6.368 13.299 ( 4.785 -0.158 3.300) 5.815 13.605 ( -8.899 11.502 19.821) 24.584 13.721 ( -0.053 6.832 1.885) 7.088 13.971 ( -2.159 -2.685 -2.769) 4.420 14.057 ( -0.561 -7.806 0.470) 7.840 14.528 ( -7.934 -0.419 -1.540) 8.092 15.177 ( 16.612 0.549 1.052) 16.654 15.242 ( 15.961 -0.945 9.350) 18.522 15.676 ( 7.821 -14.439 21.195) 26.812 15.890 ( -5.164 -4.908 -3.324) 7.862 16.656 ( 22.756 14.279 1.630) 26.915 17.399 ( 5.672 -2.676 -1.584) 6.469 17.787 ( 11.408 8.487 2.822) 14.496 17.906 ( 0.927 -1.355 2.135) 2.693 18.248 ( 3.994 12.103 -15.305) 19.917 18.566 ( -2.765 2.418 -0.871) 3.775 18.847 ( 1.686 -8.005 -6.407) 10.391 19.654 ( -8.648 -0.901 15.179) 17.493 19.788 ( -3.295 -1.960 7.757) 8.652 19.905 ( -4.345 -5.060 5.808) 8.844 20.584 ( -1.598 4.511 -3.870) 6.155 20.631 ( 0.512 0.811 3.551) 3.678 20.831 ( 26.695 16.026 -20.373) 37.209 21.566 ( -2.534 -2.244 -6.360) 7.205 ======================= Grid point 14 (9/172) ======================= q-point: ( 0.30 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 22.127 -8.980 5.759) 24.564 1.588 ( 22.186 -12.248 4.623) 25.761 2.211 ( 13.321 -12.532 22.907) 29.313 2.499 ( 10.761 -0.116 -2.440) 11.035 2.782 ( 6.430 -5.879 0.793) 8.748 2.895 ( 2.207 -2.723 -5.959) 6.913 3.112 ( 3.856 -2.125 0.973) 4.509 3.367 ( -9.045 3.837 6.677) 11.879 3.467 ( 12.975 -1.696 2.365) 13.297 3.841 ( -5.033 -1.169 6.780) 8.524 3.855 ( -7.361 1.081 -12.417) 14.475 4.242 ( -9.369 -1.882 3.072) 10.037 4.595 ( -6.562 0.476 -4.203) 7.807 4.974 ( 2.328 5.491 -8.218) 10.155 5.202 ( -1.720 4.437 -3.151) 5.707 5.262 ( -5.163 8.985 11.184) 15.247 5.525 ( 0.142 0.583 -4.621) 4.659 5.569 ( 3.736 -0.050 3.364) 5.028 5.834 ( 2.370 2.205 3.888) 5.059 6.039 ( -2.086 -4.456 0.667) 4.965 6.093 ( -0.193 -5.671 6.335) 8.505 6.346 ( 5.092 0.378 0.237) 5.112 6.395 ( 2.136 -2.969 -1.646) 4.010 6.509 ( 6.908 -4.952 -6.416) 10.649 6.878 ( -2.952 3.720 -10.814) 11.811 7.179 ( -6.787 -0.230 6.256) 9.233 7.244 ( 1.721 -2.064 -3.312) 4.265 7.698 ( 13.483 1.066 -0.387) 13.530 7.723 ( 6.191 -0.633 2.947) 6.885 7.855 ( 2.061 -2.410 3.652) 4.837 7.895 ( -3.361 -3.576 -1.373) 5.096 8.101 ( 3.268 0.241 -2.664) 4.223 8.228 ( 1.262 -0.420 -0.020) 1.330 8.317 ( 0.587 1.050 10.927) 10.993 8.765 ( -4.216 1.042 -8.458) 9.508 9.031 ( -1.444 -1.464 -6.669) 6.979 9.097 ( -1.940 -1.257 1.420) 2.713 9.404 ( 19.218 3.134 -14.064) 24.020 10.007 ( 2.778 6.171 15.075) 16.525 10.392 ( 1.891 -1.617 9.396) 9.720 10.615 ( -1.750 -6.259 -4.183) 7.728 11.058 ( 1.048 1.446 -1.375) 2.254 11.577 ( 1.380 -0.658 -1.124) 1.897 11.652 ( -2.564 -2.867 -2.528) 4.603 12.371 ( 2.132 12.196 -0.490) 12.391 12.541 ( 1.222 1.761 -3.055) 3.732 12.704 ( 6.668 5.021 1.199) 8.433 13.089 ( -0.040 7.495 0.246) 7.499 13.348 ( 4.289 0.712 2.337) 4.935 13.499 ( -5.882 1.257 6.884) 9.141 13.648 ( -1.029 2.109 1.746) 2.925 14.010 ( -1.504 -3.815 -3.433) 5.348 14.201 ( 0.759 -7.701 -0.839) 7.783 14.472 ( -5.068 -1.063 -0.668) 5.221 15.303 ( 20.137 3.266 1.232) 20.438 15.419 ( 9.741 -2.037 13.325) 16.631 15.806 ( -15.205 -1.835 7.843) 17.207 16.216 ( 32.091 -14.336 2.611) 35.245 16.634 ( 20.588 7.164 -2.753) 21.972 17.489 ( 3.889 -2.249 2.291) 5.043 17.727 ( 4.366 8.917 6.098) 11.652 17.936 ( 1.117 0.206 -5.116) 5.241 18.110 ( 5.885 1.549 -7.930) 9.996 18.462 ( -5.271 4.879 -0.460) 7.198 18.922 ( -0.641 -3.207 -2.213) 3.949 19.676 ( 1.296 -0.865 0.520) 1.642 19.804 ( -0.809 0.158 3.526) 3.621 20.028 ( -5.878 -9.829 7.305) 13.585 20.456 ( -0.043 6.208 -6.024) 8.650 20.631 ( 0.564 1.295 3.665) 3.928 20.773 ( 13.969 5.791 -5.005) 15.928 21.490 ( -2.042 5.003 -5.728) 7.875 ======================= Grid point 15 (10/172) ======================= q-point: ( 0.40 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 21.676 -3.030 1.817) 21.962 1.964 ( 13.045 -11.094 7.941) 18.876 2.441 ( -4.348 -5.808 -0.486) 7.271 2.653 ( 12.901 -5.179 -0.378) 13.907 2.921 ( 5.922 -0.971 -5.316) 8.017 2.957 ( 5.161 -3.393 15.804) 16.968 3.156 ( 0.686 1.170 0.330) 1.396 3.274 ( -1.628 1.764 2.481) 3.452 3.552 ( 5.317 3.374 -2.768) 6.879 3.701 ( -9.369 3.746 -4.874) 11.206 3.887 ( -0.395 -5.274 1.873) 5.611 4.257 ( -8.284 -5.702 3.260) 10.572 4.522 ( -4.007 0.641 -4.691) 6.202 4.901 ( 4.845 3.157 -7.525) 9.490 5.032 ( -6.009 10.255 9.124) 14.984 5.140 ( -1.627 5.246 4.292) 6.971 5.481 ( 1.428 1.546 -5.557) 5.942 5.661 ( 0.318 -5.095 4.633) 6.894 5.834 ( -0.424 -0.956 1.858) 2.132 6.061 ( -1.310 -1.433 -4.732) 5.115 6.257 ( 3.886 -5.791 6.392) 9.460 6.355 ( 3.444 1.143 -1.601) 3.966 6.441 ( 0.593 -0.729 -3.410) 3.538 6.654 ( 1.968 -4.575 -7.523) 9.022 6.773 ( 3.403 0.567 -1.589) 3.798 7.147 ( -6.994 -0.877 5.937) 9.216 7.272 ( 1.320 -1.047 -3.366) 3.764 7.694 ( 3.534 4.218 -3.410) 6.474 7.784 ( 2.068 -1.332 -1.207) 2.740 7.882 ( -2.586 -1.899 -4.487) 5.516 7.938 ( -0.369 -1.337 2.084) 2.503 8.218 ( 14.546 -2.657 5.474) 15.767 8.243 ( -2.802 -1.057 0.409) 3.022 8.331 ( 2.973 2.022 4.785) 5.986 8.703 ( -3.523 -0.617 -3.453) 4.971 9.008 ( -2.881 -0.688 -4.110) 5.066 9.114 ( -0.726 -1.472 0.117) 1.646 9.434 ( 9.837 2.486 -7.050) 12.355 9.972 ( 1.707 5.686 9.616) 11.301 10.479 ( 5.134 -0.551 7.218) 8.875 10.653 ( -2.911 -2.632 -2.900) 4.879 11.029 ( 0.280 1.659 -1.164) 2.046 11.631 ( 3.594 -2.374 1.837) 4.683 11.679 ( -2.903 -3.725 -0.942) 4.816 12.162 ( 1.692 11.633 -3.589) 12.291 12.511 ( -0.396 1.016 -2.074) 2.343 12.676 ( 3.842 3.742 2.423) 5.885 12.958 ( -0.338 6.341 -3.645) 7.322 13.351 ( 0.790 0.681 -1.751) 2.038 13.495 ( -2.168 -1.179 3.449) 4.241 13.632 ( -1.015 0.300 3.121) 3.295 14.032 ( -2.483 -1.773 -1.621) 3.455 14.310 ( 0.924 -3.432 0.444) 3.582 14.509 ( -2.398 -7.377 -2.897) 8.280 15.362 ( 14.910 8.268 4.873) 17.731 15.576 ( 6.473 -2.669 10.849) 12.912 15.742 ( -3.634 1.873 4.673) 6.209 16.679 ( 18.138 0.434 -4.091) 18.599 16.764 ( 30.346 -12.623 0.069) 32.866 17.498 ( -5.593 6.535 6.694) 10.900 17.613 ( -2.326 2.280 -4.239) 5.346 17.882 ( 0.194 2.916 -3.377) 4.466 18.169 ( 7.415 -0.836 0.193) 7.464 18.351 ( 0.076 3.664 0.723) 3.735 18.947 ( -2.327 -1.998 -1.796) 3.555 19.697 ( 2.078 -0.444 -3.938) 4.475 19.814 ( 0.143 0.182 4.539) 4.545 20.189 ( -4.090 -9.792 2.688) 10.947 20.324 ( -2.562 5.086 -3.027) 6.449 20.623 ( -0.192 1.421 4.075) 4.320 20.779 ( 8.289 2.199 -2.674) 8.983 21.334 ( -2.373 7.844 -4.794) 9.494 ======================= Grid point 16 (11/172) ======================= q-point: ( 0.50 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( 20.310 3.188 0.636) 20.569 2.229 ( 5.722 -4.280 10.354) 12.580 2.442 ( -9.761 -4.688 -6.922) 12.851 2.788 ( 4.455 -2.038 -4.296) 6.516 2.954 ( 5.163 -0.164 -1.110) 5.284 3.042 ( 3.876 6.859 10.737) 13.318 3.164 ( 3.245 -0.374 -3.416) 4.726 3.281 ( 5.057 1.298 1.442) 5.417 3.465 ( -2.642 -1.350 -9.130) 9.600 3.587 ( -5.192 2.166 5.953) 8.191 3.984 ( 1.069 -3.250 -0.258) 3.431 4.297 ( -10.695 -5.257 4.709) 12.814 4.481 ( -0.870 -0.092 -3.332) 3.445 4.792 ( 0.729 8.396 0.238) 8.431 4.956 ( -0.416 -0.203 3.419) 3.450 5.079 ( 0.377 2.483 3.961) 4.690 5.449 ( -0.492 0.551 -3.276) 3.358 5.739 ( -3.331 -3.113 2.066) 5.005 5.882 ( -0.573 -1.113 -1.690) 2.104 6.036 ( -1.725 -2.281 -7.793) 8.302 6.327 ( 4.769 0.359 -3.244) 5.778 6.374 ( -1.374 2.915 -0.314) 3.238 6.444 ( 0.800 -4.107 4.068) 5.836 6.625 ( 2.625 1.917 -5.459) 6.354 6.886 ( 4.410 -1.766 7.822) 9.152 7.180 ( -4.109 -5.245 7.053) 9.702 7.275 ( 0.666 -0.200 -4.609) 4.662 7.610 ( 0.139 4.353 -3.719) 5.727 7.786 ( -2.888 -0.536 -6.724) 7.338 7.866 ( -5.161 -1.512 -2.979) 6.148 7.964 ( 2.941 -0.640 -1.507) 3.366 8.175 ( -8.172 2.368 1.080) 8.576 8.340 ( 4.451 1.459 0.341) 4.697 8.417 ( 16.189 -0.509 5.307) 17.044 8.699 ( -1.950 -1.641 0.128) 2.552 8.988 ( -2.546 -1.381 -2.307) 3.703 9.135 ( -0.036 -1.023 1.109) 1.510 9.410 ( -0.372 2.738 -1.109) 2.978 9.909 ( 0.523 5.303 2.946) 6.089 10.507 ( 1.599 2.088 -1.968) 3.285 10.697 ( 3.530 -2.450 4.880) 6.502 10.998 ( -0.797 1.110 -0.721) 1.545 11.660 ( -3.644 -1.016 -2.110) 4.332 11.777 ( 4.370 -4.793 5.323) 8.391 11.982 ( 2.280 8.438 -3.393) 9.377 12.480 ( -3.072 0.300 -0.621) 3.149 12.653 ( 1.180 2.457 2.711) 3.844 12.841 ( -0.317 3.763 -6.459) 7.481 13.345 ( 0.553 -0.597 -3.381) 3.478 13.507 ( -1.360 -0.364 1.810) 2.293 13.632 ( -1.163 0.158 2.062) 2.373 14.040 ( -1.079 -1.388 0.851) 1.953 14.346 ( 0.023 -0.337 0.661) 0.743 14.634 ( -1.287 -8.913 -4.417) 10.030 15.299 ( 7.177 10.806 7.537) 15.003 15.673 ( 2.410 0.707 3.140) 4.020 15.750 ( 9.983 1.600 6.297) 11.911 16.739 ( 8.160 1.213 -4.783) 9.536 17.195 ( 4.268 1.959 0.257) 4.703 17.239 ( 4.560 3.139 -0.811) 5.595 17.559 ( -5.745 -0.584 -2.897) 6.460 17.845 ( 1.158 1.215 3.221) 3.632 18.218 ( 5.323 1.086 -1.198) 5.563 18.367 ( 11.248 1.171 3.860) 11.949 18.940 ( -4.823 -1.366 -2.440) 5.574 19.689 ( -2.125 -0.396 -3.820) 4.389 19.822 ( -0.669 1.365 4.430) 4.683 20.190 ( -6.291 1.189 -4.720) 7.954 20.344 ( 1.198 -4.892 3.228) 5.982 20.614 ( -0.056 1.298 3.954) 4.162 20.811 ( 3.686 -1.610 -2.442) 4.706 21.155 ( -3.178 7.354 -3.442) 8.719 ======================= Grid point 17 (12/172) ======================= q-point: (-0.40 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 18.016 9.700 1.301) 20.502 2.192 ( -4.599 9.648 2.002) 10.874 2.482 ( -6.475 -5.971 -0.863) 8.850 2.723 ( -7.428 3.831 -10.661) 13.546 2.941 ( 7.490 8.208 -1.968) 11.284 3.025 ( 6.445 4.254 6.859) 10.329 3.097 ( -2.156 1.085 -4.958) 5.515 3.301 ( 1.903 0.133 3.739) 4.198 3.497 ( -1.430 -1.445 -4.116) 4.591 3.645 ( 5.270 -6.052 7.095) 10.712 3.995 ( -0.841 0.944 -2.411) 2.722 4.320 ( -11.538 -6.031 5.254) 14.040 4.472 ( 0.995 0.564 -1.973) 2.280 4.716 ( 0.706 0.355 1.166) 1.409 4.961 ( -0.839 0.031 -0.526) 0.991 5.106 ( 5.593 -0.465 5.140) 7.610 5.432 ( -1.739 -0.632 -0.328) 1.879 5.740 ( -8.381 -0.346 -1.429) 8.509 5.772 ( -4.165 2.092 -12.755) 13.580 6.087 ( 0.289 -2.199 2.276) 3.178 6.281 ( 0.843 3.852 -4.680) 6.120 6.399 ( 2.539 -2.758 1.205) 3.937 6.500 ( 2.551 1.504 0.044) 2.961 6.627 ( 1.487 -1.743 1.848) 2.943 6.935 ( 3.278 3.475 12.720) 13.587 7.239 ( -1.092 0.903 -3.741) 4.000 7.276 ( -2.539 -2.696 3.501) 5.096 7.556 ( -1.493 -0.885 -1.138) 2.075 7.704 ( -6.532 1.269 -9.285) 11.423 7.827 ( -4.440 -0.589 -4.857) 6.606 7.992 ( 2.122 -0.725 -3.261) 3.958 8.083 ( -4.271 2.062 2.867) 5.542 8.317 ( 3.871 4.346 -2.043) 6.168 8.520 ( 10.788 3.877 2.074) 11.650 8.719 ( -1.554 -2.133 0.844) 2.771 9.005 ( -0.541 -2.615 -0.545) 2.725 9.158 ( 0.460 -0.543 2.372) 2.477 9.320 ( -9.816 3.403 3.993) 11.130 9.823 ( -1.284 3.652 -3.359) 5.125 10.455 ( 0.436 2.318 -4.958) 5.490 10.796 ( 5.424 -0.611 6.106) 8.191 10.982 ( 0.202 -0.416 -0.136) 0.482 11.619 ( -3.725 0.721 -1.288) 4.007 11.859 ( 1.252 3.153 -3.212) 4.672 11.937 ( 5.309 -2.329 6.919) 9.027 12.448 ( -5.732 -0.814 1.094) 5.892 12.624 ( -0.505 2.014 1.569) 2.603 12.788 ( -0.123 -1.016 -6.645) 6.723 13.342 ( 0.173 0.489 -2.241) 2.300 13.507 ( -0.657 -0.714 -1.099) 1.466 13.626 ( -0.894 -0.156 0.285) 0.952 14.073 ( 1.270 -1.265 2.602) 3.160 14.333 ( -1.417 1.072 -0.422) 1.826 14.733 ( -1.681 -4.727 -3.354) 6.035 15.190 ( 6.178 10.250 6.660) 13.696 15.637 ( 3.304 6.083 -0.143) 6.924 15.847 ( 9.336 -0.183 4.101) 10.198 16.708 ( -4.001 9.360 -0.596) 10.196 16.792 ( -16.543 10.618 -2.024) 19.761 17.386 ( 1.297 -0.226 -6.584) 6.715 17.562 ( 1.116 -0.443 -0.386) 1.261 17.927 ( 9.839 -4.137 7.937) 13.300 18.196 ( 1.870 3.866 -2.285) 4.864 18.500 ( 19.387 0.757 5.135) 20.070 18.900 ( -7.632 -1.323 -3.554) 8.522 19.636 ( -10.857 -0.081 0.192) 10.859 19.787 ( -1.247 1.880 -0.277) 2.273 20.128 ( -5.462 -0.777 -2.845) 6.207 20.427 ( 3.779 -1.211 1.773) 4.347 20.604 ( 0.594 1.591 1.694) 2.399 20.837 ( -0.158 2.726 0.097) 2.732 21.055 ( -3.243 -3.490 -2.688) 5.470 ======================= Grid point 18 (13/172) ======================= q-point: (-0.30 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 14.210 16.199 1.733) 21.618 1.908 ( -5.471 17.238 -2.473) 18.254 2.401 ( -10.677 5.773 -0.156) 12.139 2.558 ( -3.013 7.245 -10.412) 13.037 2.773 ( -6.761 8.089 -4.530) 11.474 3.010 ( 3.871 3.644 4.587) 7.022 3.070 ( -1.439 0.760 1.624) 2.299 3.365 ( -1.262 -1.533 2.601) 3.272 3.468 ( 7.464 2.888 -0.674) 8.032 3.792 ( -0.707 -4.255 -3.870) 5.795 3.987 ( 3.708 -1.717 2.975) 5.055 4.365 ( -6.818 -3.854 3.344) 8.516 4.472 ( 0.337 -2.812 -0.179) 2.838 4.789 ( -0.843 -6.868 1.207) 7.024 4.970 ( 2.490 -2.264 -3.585) 4.917 5.199 ( 8.327 -0.549 5.469) 9.977 5.444 ( -1.995 -1.970 2.260) 3.601 5.628 ( -8.232 -1.139 -7.978) 11.520 5.697 ( -3.428 2.290 -5.644) 6.989 6.119 ( -1.425 -1.121 3.908) 4.308 6.198 ( -0.375 3.805 -4.393) 5.824 6.406 ( 3.250 5.057 0.636) 6.045 6.499 ( 2.714 -0.108 -1.019) 2.901 6.667 ( -2.504 -0.033 3.155) 4.028 6.955 ( 6.258 4.028 13.963) 15.822 7.161 ( -5.326 2.219 -5.277) 7.819 7.291 ( -1.907 -0.634 1.413) 2.457 7.541 ( -10.049 0.717 -3.181) 10.565 7.624 ( 1.043 -1.311 -5.223) 5.485 7.798 ( -1.005 -0.900 -2.889) 3.188 7.973 ( -3.726 0.763 0.449) 3.830 8.073 ( 1.106 -0.739 -2.231) 2.597 8.260 ( 8.318 5.838 -1.279) 10.243 8.479 ( 4.174 6.766 -0.751) 7.985 8.740 ( -4.967 -2.173 -0.529) 5.448 9.055 ( -0.190 -1.926 1.655) 2.546 9.147 ( -7.043 2.955 -0.431) 7.650 9.201 ( -6.507 0.840 8.658) 10.863 9.745 ( -2.028 1.009 -6.945) 7.305 10.405 ( 1.271 1.855 -4.520) 5.048 10.815 ( -1.001 2.036 2.514) 3.387 11.035 ( 5.785 -1.584 1.728) 6.242 11.589 ( -0.760 0.340 1.956) 2.126 11.790 ( -0.818 3.266 -1.422) 3.654 12.025 ( 1.454 -1.344 0.631) 2.078 12.440 ( -5.340 -2.715 3.961) 7.182 12.602 ( -0.783 0.346 1.983) 2.160 12.807 ( -0.723 -4.003 -6.641) 7.788 13.309 ( -1.477 1.728 -0.902) 2.446 13.509 ( 0.600 -0.321 -4.008) 4.065 13.628 ( -0.037 -0.377 0.199) 0.428 14.114 ( 2.335 -0.209 2.372) 3.335 14.289 ( -2.255 1.555 -1.321) 3.041 14.740 ( -1.413 1.198 -0.359) 1.887 15.104 ( 7.257 8.050 3.718) 11.459 15.507 ( -0.984 9.353 -2.391) 9.704 15.920 ( 3.912 -0.304 -0.667) 3.980 16.271 ( -23.394 14.800 2.996) 27.844 16.691 ( 9.891 7.540 -1.882) 12.579 17.334 ( -9.236 -1.441 -6.071) 11.146 17.510 ( -4.472 3.639 0.672) 5.805 18.090 ( 3.504 4.785 -0.532) 5.955 18.180 ( 11.231 -4.692 8.391) 14.784 18.657 ( 20.916 3.605 4.750) 21.749 18.849 ( -8.430 -3.027 -5.125) 10.320 19.534 ( -17.461 -1.880 1.670) 17.641 19.754 ( -0.125 0.443 -3.256) 3.289 20.079 ( -5.396 0.413 -2.600) 6.004 20.468 ( 3.705 1.950 4.694) 6.290 20.578 ( 0.232 1.093 -3.080) 3.276 20.732 ( -2.028 5.640 0.740) 6.039 21.184 ( -1.784 -11.453 -0.419) 11.598 ======================= Grid point 19 (14/172) ======================= q-point: (-0.20 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 3.165 21.942 0.609) 22.177 1.504 ( 1.064 24.141 -2.527) 24.296 2.123 ( -6.195 28.406 -8.438) 30.273 2.244 ( -10.437 4.854 2.166) 11.712 2.670 ( -4.249 -3.319 -3.532) 6.446 2.981 ( 1.660 4.835 3.894) 6.426 3.071 ( -2.794 -2.862 0.004) 4.000 3.244 ( -1.699 9.318 -3.105) 9.968 3.584 ( 8.228 -3.133 5.302) 10.278 3.787 ( -2.681 -1.308 -7.715) 8.272 4.111 ( 4.057 -4.077 7.015) 9.071 4.350 ( 0.209 1.254 -2.048) 2.410 4.602 ( -0.614 -9.388 1.393) 9.510 4.922 ( -1.919 -8.740 3.226) 9.512 5.045 ( 2.541 -4.641 -5.515) 7.643 5.289 ( 7.499 -0.027 4.103) 8.548 5.482 ( -2.635 -3.104 2.226) 4.641 5.584 ( -6.370 -0.397 -1.695) 6.603 5.600 ( -0.775 1.768 -7.023) 7.284 6.108 ( -0.286 4.342 -1.834) 4.723 6.148 ( 0.130 -1.886 0.448) 1.943 6.333 ( 1.349 5.525 1.970) 6.019 6.510 ( 2.770 1.741 -0.746) 3.356 6.621 ( 0.708 4.116 5.877) 7.210 6.946 ( -2.298 3.491 -4.733) 6.314 7.086 ( -2.559 1.329 6.816) 7.401 7.296 ( -0.244 -0.058 3.399) 3.408 7.414 ( -7.284 1.445 -7.742) 10.728 7.652 ( 1.621 -1.001 -1.979) 2.747 7.810 ( 0.716 0.033 0.559) 0.909 7.944 ( -2.259 -1.265 -0.086) 2.591 8.065 ( -1.060 0.413 -2.693) 2.923 8.262 ( 14.878 4.505 -1.551) 15.622 8.382 ( 1.867 5.897 -0.481) 6.204 8.670 ( -19.631 -0.125 -0.432) 19.636 8.973 ( -8.977 2.817 2.946) 9.859 9.119 ( 1.348 -0.387 0.473) 1.480 9.199 ( -0.423 0.969 3.882) 4.023 9.703 ( -1.285 -0.738 -6.369) 6.539 10.376 ( 1.561 1.117 -2.759) 3.362 10.764 ( -2.085 2.493 1.192) 3.462 11.101 ( 4.892 0.270 1.206) 5.046 11.608 ( 1.613 -0.430 3.809) 4.158 11.722 ( -2.729 2.297 -0.626) 3.621 12.007 ( -3.696 0.767 -5.281) 6.491 12.485 ( -2.165 -3.392 3.899) 5.603 12.615 ( -0.756 -1.032 3.198) 3.445 12.854 ( -1.006 -5.043 -6.091) 7.972 13.262 ( -1.617 1.586 -0.600) 2.343 13.484 ( 0.508 2.015 -3.907) 4.425 13.639 ( 0.340 -0.593 0.309) 0.750 14.117 ( 1.273 2.750 0.825) 3.141 14.239 ( -1.468 2.081 -0.820) 2.675 14.704 ( 0.348 1.144 1.142) 1.653 15.050 ( 9.269 7.011 1.929) 11.781 15.274 ( -10.142 9.810 -3.277) 14.486 15.796 ( -8.935 11.036 -2.575) 14.432 16.030 ( -5.542 0.059 1.743) 5.810 16.646 ( 17.365 9.719 -0.044) 19.900 17.232 ( -16.773 -0.763 -2.295) 16.947 17.419 ( -2.211 2.619 -0.335) 3.444 18.002 ( 0.420 4.803 -1.032) 4.931 18.401 ( 10.713 -3.882 9.553) 14.869 18.700 ( 7.517 5.432 1.802) 9.448 18.859 ( 0.398 -2.783 -3.671) 4.624 19.463 ( -14.661 -5.383 -0.643) 15.632 19.737 ( -0.235 -0.005 -3.063) 3.072 20.010 ( -3.104 2.033 -2.280) 4.355 20.416 ( -1.020 7.051 5.026) 8.718 20.572 ( 0.682 -1.299 -3.062) 3.396 20.659 ( -0.730 1.523 0.367) 1.729 21.381 ( -0.659 -11.352 0.578) 11.385 ======================= Grid point 20 (15/172) ======================= q-point: (-0.10 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.000 25.650 0.000) 25.650 1.052 ( 0.000 28.523 0.000) 28.523 1.452 ( 0.000 38.186 0.000) 38.186 2.165 ( 0.000 0.724 0.000) 0.724 2.754 ( -0.000 -7.721 -0.000) 7.721 2.885 ( 0.000 7.829 0.000) 7.829 3.075 ( 0.000 6.215 0.000) 6.215 3.118 ( -0.000 -2.927 -0.000) 2.927 3.690 ( -0.000 -2.859 -0.000) 2.859 3.739 ( 0.000 3.184 0.000) 3.184 4.218 ( -0.000 -3.536 -0.000) 3.536 4.331 ( -0.000 -0.090 -0.000) 0.090 4.730 ( -0.000 -3.608 -0.000) 3.608 5.106 ( -0.000 -11.189 -0.000) 11.189 5.121 ( -0.000 -5.763 -0.000) 5.763 5.329 ( 0.000 0.246 0.000) 0.246 5.518 ( -0.000 -2.018 -0.000) 2.018 5.554 ( -0.000 -0.081 -0.000) 0.081 5.556 ( 0.000 1.662 0.000) 1.662 6.028 ( 0.000 3.710 0.000) 3.710 6.173 ( 0.000 1.689 0.000) 1.689 6.244 ( 0.000 5.483 0.000) 5.483 6.464 ( 0.000 2.856 0.000) 2.856 6.641 ( -0.000 -1.744 -0.000) 1.744 6.827 ( 0.000 3.172 0.000) 3.172 7.070 ( 0.000 2.069 0.000) 2.069 7.323 ( -0.000 -0.310 -0.000) 0.310 7.336 ( 0.000 0.438 0.000) 0.438 7.659 ( 0.000 0.529 0.000) 0.529 7.787 ( 0.000 2.477 0.000) 2.477 8.008 ( -0.000 -5.958 -0.000) 5.958 8.037 ( 0.000 1.325 0.000) 1.325 8.266 ( 0.000 3.656 0.000) 3.656 8.318 ( 0.000 3.982 0.000) 3.982 8.478 ( 0.000 4.493 0.000) 4.493 8.930 ( -0.000 -0.562 -0.000) 0.562 9.118 ( 0.000 1.096 0.000) 1.096 9.178 ( 0.000 2.031 0.000) 2.031 9.700 ( -0.000 -1.133 -0.000) 1.133 10.366 ( 0.000 0.309 0.000) 0.309 10.717 ( 0.000 2.079 0.000) 2.079 11.106 ( 0.000 1.715 0.000) 1.715 11.642 ( -0.000 -0.631 -0.000) 0.631 11.668 ( 0.000 1.343 0.000) 1.343 11.935 ( 0.000 2.080 0.000) 2.080 12.540 ( -0.000 -2.735 -0.000) 2.735 12.635 ( -0.000 -0.493 -0.000) 0.493 12.927 ( -0.000 -5.501 -0.000) 5.501 13.229 ( 0.000 1.064 0.000) 1.064 13.415 ( 0.000 4.920 0.000) 4.920 13.662 ( -0.000 -2.000 -0.000) 2.000 14.055 ( 0.000 4.175 0.000) 4.175 14.168 ( 0.000 5.412 0.000) 5.412 14.744 ( -0.000 -4.836 -0.000) 4.836 15.005 ( 0.000 6.864 0.000) 6.864 15.051 ( 0.000 4.262 0.000) 4.262 15.543 ( 0.000 12.124 0.000) 12.124 16.031 ( -0.000 -2.555 -0.000) 2.555 16.575 ( 0.000 9.348 0.000) 9.348 17.135 ( 0.000 0.191 0.000) 0.191 17.381 ( 0.000 0.974 0.000) 0.974 17.929 ( 0.000 3.310 0.000) 3.310 18.531 ( -0.000 -2.807 -0.000) 2.807 18.638 ( 0.000 5.291 0.000) 5.291 18.888 ( -0.000 -1.811 -0.000) 1.811 19.505 ( -0.000 -6.415 -0.000) 6.415 19.727 ( 0.000 0.097 0.000) 0.097 19.950 ( 0.000 2.760 0.000) 2.760 20.290 ( 0.000 6.626 0.000) 6.626 20.589 ( -0.000 -0.887 -0.000) 0.887 20.652 ( -0.000 -0.496 -0.000) 0.496 21.563 ( -0.000 -8.993 -0.000) 8.993 ======================= Grid point 23 (16/172) ======================= q-point: ( 0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 25.497 0.000 16.792) 30.530 1.362 ( 35.050 0.000 0.628) 35.056 1.967 ( 30.041 0.000 39.386) 49.535 2.575 ( 7.676 0.000 -18.195) 19.747 2.591 ( 4.741 0.000 16.189) 16.869 2.754 ( 6.539 0.000 -11.829) 13.516 3.131 ( 3.340 0.000 -0.823) 3.440 3.352 ( 3.001 0.000 -0.630) 3.066 3.458 ( -1.111 -0.000 10.594) 10.652 3.853 ( -4.851 -0.000 9.639) 10.791 3.860 ( -6.685 -0.000 -13.868) 15.396 4.223 ( -12.670 -0.000 3.478) 13.139 4.604 ( -8.069 -0.000 -4.142) 9.070 5.128 ( 2.545 0.000 -13.895) 14.126 5.233 ( -5.759 -0.000 2.822) 6.413 5.410 ( -4.805 -0.000 7.520) 8.925 5.475 ( 2.730 0.000 -5.369) 6.023 5.740 ( 4.771 0.000 7.150) 8.595 5.848 ( 14.075 0.000 1.977) 14.213 5.946 ( 0.207 0.000 0.762) 0.790 5.955 ( -5.644 -0.000 4.827) 7.427 6.310 ( 1.491 0.000 -4.773) 5.000 6.407 ( -1.192 -0.000 2.637) 2.894 6.476 ( 4.482 0.000 -6.802) 8.146 6.986 ( -12.103 -0.000 -8.020) 14.519 7.085 ( 9.497 0.000 5.928) 11.196 7.216 ( -2.791 -0.000 -1.583) 3.208 7.692 ( 18.809 0.000 4.909) 19.439 7.710 ( 2.622 0.000 5.431) 6.031 7.799 ( 4.209 0.000 1.674) 4.529 7.823 ( -5.203 -0.000 -0.854) 5.272 8.131 ( 1.445 0.000 -10.733) 10.830 8.207 ( -3.676 -0.000 3.781) 5.273 8.357 ( 2.701 0.000 12.986) 13.264 8.794 ( -5.144 -0.000 -14.006) 14.921 8.982 ( 1.045 0.000 -8.642) 8.705 9.074 ( -2.597 -0.000 2.645) 3.706 9.497 ( 19.766 0.000 -21.271) 29.037 10.220 ( -6.420 -0.000 14.121) 15.512 10.326 ( 10.707 0.000 9.007) 13.991 10.402 ( 2.689 0.000 1.232) 2.957 11.083 ( 1.315 0.000 -2.518) 2.841 11.581 ( -1.265 -0.000 -3.012) 3.267 11.586 ( -1.776 -0.000 -3.923) 4.306 12.521 ( -0.714 -0.000 -4.213) 4.273 12.646 ( 5.895 0.000 -6.221) 8.571 12.865 ( 2.132 0.000 4.743) 5.200 13.240 ( -4.001 -0.000 0.332) 4.015 13.365 ( 6.738 0.000 3.380) 7.539 13.651 ( -16.828 -0.000 9.978) 19.564 13.802 ( -6.051 -0.000 -5.337) 8.069 13.852 ( -8.854 -0.000 -2.528) 9.208 14.003 ( 4.224 0.000 2.550) 4.934 14.485 ( -2.033 -0.000 -1.969) 2.830 15.298 ( 9.462 0.000 7.157) 11.864 15.446 ( 19.811 0.000 8.851) 21.698 15.712 ( 17.989 0.000 20.333) 27.149 15.880 ( 14.251 0.000 -2.897) 14.543 16.935 ( 10.713 0.000 1.052) 10.765 17.410 ( 5.942 0.000 -1.240) 6.070 17.909 ( 11.268 0.000 -3.683) 11.855 17.912 ( -0.522 -0.000 6.526) 6.547 18.518 ( -3.401 -0.000 -8.067) 8.755 18.539 ( 6.824 0.000 -21.346) 22.411 18.704 ( 6.060 0.000 5.756) 8.358 19.587 ( -19.975 -0.000 27.321) 33.844 19.781 ( 2.297 0.000 2.043) 3.074 19.854 ( -1.714 -0.000 -1.935) 2.585 20.566 ( -7.492 -0.000 1.068) 7.567 20.658 ( 0.429 0.000 3.908) 3.931 21.100 ( 18.063 0.000 -34.304) 38.770 21.476 ( -1.602 -0.000 1.712) 2.344 ======================= Grid point 24 (17/172) ======================= q-point: ( 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 25.146 -6.405 14.545) 29.747 1.662 ( 27.913 -4.425 -1.237) 28.288 2.316 ( 13.915 -0.334 26.389) 29.835 2.562 ( 9.666 -0.066 -8.305) 12.744 2.719 ( -1.681 -7.670 8.416) 11.510 2.840 ( 12.210 -2.900 -6.485) 14.126 3.139 ( 3.564 1.000 -0.185) 3.706 3.347 ( -7.016 -0.891 3.937) 8.094 3.576 ( 15.033 -1.447 9.364) 17.770 3.747 ( -6.733 0.229 -14.812) 16.272 3.828 ( -6.956 1.268 7.054) 9.988 4.143 ( -12.168 -1.218 3.529) 12.728 4.522 ( -5.561 0.469 -7.323) 9.208 5.053 ( 3.474 4.398 -10.133) 11.579 5.201 ( -4.637 0.342 -1.879) 5.015 5.363 ( -4.535 2.172 4.204) 6.554 5.476 ( -1.418 0.215 -0.177) 1.445 5.733 ( 4.460 5.739 5.337) 9.017 5.877 ( -5.783 2.333 0.957) 6.309 6.002 ( 11.511 -1.993 1.385) 11.764 6.025 ( -0.181 -4.350 6.068) 7.468 6.338 ( 4.491 -2.311 -1.538) 5.280 6.415 ( 2.349 -0.328 -0.298) 2.391 6.484 ( 5.819 -0.772 -8.914) 10.673 6.839 ( -8.894 1.537 -8.591) 12.461 7.166 ( -1.879 0.869 2.314) 3.105 7.223 ( 5.196 -2.064 0.941) 5.669 7.703 ( -5.628 -2.272 -0.053) 6.070 7.781 ( -0.279 -0.072 -1.200) 1.234 7.791 ( -1.005 -1.156 -4.455) 4.711 7.942 ( 13.669 0.888 9.007) 16.394 8.121 ( 6.671 -1.699 -3.339) 7.651 8.209 ( -0.592 -0.854 2.124) 2.364 8.414 ( 3.303 1.704 10.072) 10.736 8.695 ( -5.735 0.083 -10.380) 11.859 8.968 ( 0.487 -1.245 -8.948) 9.048 9.068 ( -2.906 -0.688 2.395) 3.828 9.542 ( 15.408 2.689 -14.207) 21.130 10.174 ( -1.766 4.962 12.531) 13.593 10.442 ( 4.697 -1.229 11.140) 12.152 10.509 ( 5.541 -4.614 -0.216) 7.214 11.074 ( 0.438 0.646 -2.546) 2.663 11.566 ( 0.737 -0.941 -1.757) 2.125 11.579 ( -2.065 -1.697 -2.780) 3.856 12.485 ( -0.455 2.108 -5.196) 5.626 12.614 ( 3.106 5.778 -3.540) 7.454 12.854 ( 2.215 4.424 4.861) 6.936 13.158 ( -6.361 3.332 -3.457) 7.970 13.421 ( 5.131 1.588 3.243) 6.274 13.507 ( -11.306 3.232 6.766) 13.566 13.679 ( -3.686 2.977 -1.413) 4.944 13.881 ( -2.681 -6.622 -7.075) 10.054 14.089 ( 3.107 -4.518 1.234) 5.621 14.452 ( -2.226 0.860 -0.874) 2.541 15.409 ( 4.919 -2.229 9.379) 10.823 15.611 ( 12.482 1.239 12.609) 17.785 15.850 ( 18.711 6.356 6.440) 20.784 16.241 ( 34.709 -14.105 1.676) 37.502 16.916 ( 9.283 7.858 -2.824) 12.486 17.478 ( 4.465 -2.324 0.211) 5.037 17.901 ( -1.605 4.630 9.711) 10.878 18.004 ( 12.170 2.322 -0.877) 12.420 18.248 ( 7.002 11.521 -14.213) 19.590 18.520 ( -0.566 3.305 -3.649) 4.956 18.827 ( 0.388 -4.284 -1.316) 4.498 19.614 ( -9.725 -6.424 12.779) 17.295 19.813 ( 1.132 -0.136 1.520) 1.900 19.857 ( -3.695 -4.553 -0.092) 5.864 20.478 ( -8.697 2.622 -0.068) 9.084 20.669 ( 0.294 0.757 3.725) 3.813 21.011 ( 15.297 8.817 -17.034) 24.534 21.483 ( -2.793 -0.257 -3.935) 4.832 ======================= Grid point 25 (18/172) ======================= q-point: ( 0.40 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 23.933 -4.678 9.268) 26.087 1.950 ( 18.339 -7.205 0.669) 19.715 2.392 ( -1.720 1.293 7.461) 7.765 2.663 ( 12.384 -3.061 -10.072) 16.254 2.915 ( 0.647 -5.780 7.895) 9.806 2.956 ( 9.395 -4.062 6.336) 12.038 3.166 ( 0.985 -0.896 3.882) 4.104 3.321 ( -0.931 1.231 3.689) 3.998 3.602 ( -6.189 3.111 -17.039) 18.394 3.701 ( -1.955 3.765 6.002) 7.350 3.829 ( 6.258 -3.647 6.080) 9.457 4.112 ( -10.037 -3.890 4.980) 11.861 4.442 ( -5.631 -0.567 -8.411) 10.137 4.977 ( 5.807 4.149 -7.639) 10.454 5.119 ( -4.153 3.484 -2.766) 6.086 5.297 ( -2.214 6.640 11.647) 13.588 5.445 ( -5.407 -0.474 -1.690) 5.684 5.707 ( 5.895 3.069 5.585) 8.681 5.803 ( -4.284 0.423 -1.091) 4.441 6.024 ( 0.180 0.972 -4.031) 4.150 6.197 ( 5.817 -6.947 5.332) 10.513 6.405 ( 1.639 2.227 -4.780) 5.522 6.420 ( 3.124 -1.690 -2.201) 4.178 6.568 ( 5.169 -5.650 -5.058) 9.177 6.758 ( -1.440 -1.781 -4.101) 4.697 7.132 ( -3.034 0.851 2.489) 4.015 7.276 ( 3.575 0.760 0.830) 3.748 7.681 ( -9.885 -2.376 -3.134) 10.639 7.761 ( -6.030 -2.377 -9.032) 11.117 7.787 ( 2.146 0.930 2.259) 3.252 7.978 ( 4.499 1.660 -0.305) 4.805 8.214 ( 0.047 -1.336 -1.078) 1.717 8.322 ( 15.456 -3.049 9.985) 18.651 8.429 ( 4.826 2.970 3.456) 6.637 8.635 ( -4.698 -1.634 -3.493) 6.078 8.953 ( -1.361 -0.842 -6.388) 6.585 9.075 ( -1.891 -1.770 0.869) 2.732 9.537 ( 8.558 3.982 -8.101) 12.439 10.121 ( 0.094 5.494 9.551) 11.018 10.564 ( 7.905 -1.560 10.200) 12.999 10.582 ( 0.725 -1.410 -1.500) 2.183 11.047 ( -0.611 1.221 -2.036) 2.451 11.582 ( -3.027 -2.371 -2.257) 4.458 11.632 ( 4.750 -3.461 2.109) 6.244 12.356 ( 0.438 10.158 -5.591) 11.603 12.515 ( -2.618 2.775 -2.823) 4.746 12.804 ( 2.248 5.135 4.277) 7.051 13.023 ( -4.033 4.549 -6.561) 8.944 13.365 ( -3.641 2.587 0.382) 4.483 13.491 ( 1.406 -0.148 2.784) 3.123 13.638 ( -1.337 0.196 2.045) 2.451 13.946 ( -2.229 -4.929 -4.282) 6.899 14.204 ( 0.793 -6.491 -0.764) 6.583 14.437 ( -0.673 -1.004 0.828) 1.465 15.502 ( 0.198 -0.976 7.781) 7.845 15.702 ( 6.096 2.402 14.788) 16.174 15.923 ( 26.660 7.999 2.271) 27.926 16.800 ( 34.900 -13.307 -0.641) 37.357 16.852 ( 12.325 4.880 -4.144) 13.889 17.530 ( -1.266 -0.262 1.438) 1.934 17.725 ( -5.065 13.922 1.453) 14.886 17.965 ( 4.115 4.876 -2.105) 6.719 18.240 ( 11.388 0.290 -0.675) 11.411 18.443 ( 3.380 3.738 -0.424) 5.057 18.862 ( -3.872 -2.714 -1.885) 5.090 19.679 ( -1.587 -1.528 0.668) 2.302 19.832 ( 1.713 -0.782 1.684) 2.526 19.962 ( -6.182 -10.790 2.066) 12.606 20.345 ( -8.915 3.714 -1.034) 9.713 20.667 ( 0.057 1.377 4.217) 4.436 20.932 ( 10.553 6.946 -7.105) 14.495 21.395 ( -3.695 4.573 -5.607) 8.125 ======================= Grid point 26 (19/172) ======================= q-point: ( 0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 22.150 0.208 3.840) 22.482 2.204 ( 8.129 -7.805 1.055) 11.319 2.371 ( -2.539 2.168 9.263) 9.847 2.753 ( 6.221 -2.089 -9.745) 11.749 2.981 ( 4.651 -1.071 1.549) 5.018 3.152 ( 5.458 -4.857 -0.017) 7.306 3.189 ( -0.422 2.021 9.346) 9.572 3.349 ( 4.780 -0.534 0.219) 4.814 3.403 ( -5.358 4.388 -14.442) 16.016 3.599 ( -6.968 2.731 4.940) 8.967 3.953 ( 4.972 -1.623 2.432) 5.767 4.142 ( -10.533 -4.776 7.173) 13.609 4.406 ( -3.951 -3.430 -5.871) 7.864 4.928 ( 6.183 4.697 -9.232) 12.063 5.013 ( -3.272 4.651 6.196) 8.410 5.186 ( -1.475 7.862 12.773) 15.071 5.409 ( -4.016 -1.196 -3.641) 5.551 5.712 ( -1.365 0.528 0.182) 1.475 5.839 ( 0.184 -2.554 0.187) 2.568 5.960 ( -0.270 0.151 -8.647) 8.652 6.335 ( -0.155 0.533 -5.376) 5.404 6.390 ( 3.395 -5.858 5.379) 8.648 6.418 ( 1.738 2.394 -4.550) 5.427 6.635 ( 2.579 -1.049 -3.859) 4.758 6.881 ( 4.648 -7.177 7.019) 11.062 7.128 ( -1.394 -1.180 5.062) 5.382 7.274 ( 1.961 1.386 -2.344) 3.356 7.593 ( -11.587 0.404 -4.804) 12.549 7.702 ( -5.488 -1.134 -10.713) 12.090 7.802 ( -0.308 -0.455 1.143) 1.268 7.990 ( 3.324 0.613 -1.071) 3.546 8.201 ( -0.313 2.685 0.883) 2.843 8.408 ( 4.909 1.780 -0.238) 5.227 8.547 ( 14.915 -1.889 5.894) 16.148 8.641 ( -3.557 -2.624 1.180) 4.575 8.931 ( -2.451 -1.077 -3.177) 4.155 9.104 ( -0.791 -2.310 0.165) 2.447 9.473 ( 0.620 5.054 -2.511) 5.677 10.045 ( 0.765 7.076 4.742) 8.552 10.554 ( 0.488 2.913 -2.628) 3.954 10.716 ( 7.718 -3.322 8.275) 11.793 11.009 ( -1.313 1.390 -1.240) 2.279 11.585 ( -4.313 -2.176 -1.898) 5.190 11.772 ( 7.766 -4.381 5.307) 10.376 12.146 ( 0.603 10.432 -4.172) 11.252 12.442 ( -6.104 0.369 -3.638) 7.116 12.746 ( 1.132 4.815 4.213) 6.497 12.885 ( -1.362 5.025 -8.478) 9.949 13.326 ( -0.578 -0.163 -1.162) 1.308 13.506 ( 0.262 0.128 0.995) 1.037 13.630 ( -2.127 0.562 1.493) 2.659 13.992 ( -1.180 -3.493 0.459) 3.715 14.307 ( -0.057 -4.317 -1.740) 4.655 14.492 ( 0.576 -5.237 0.333) 5.279 15.496 ( -1.002 4.197 8.187) 9.255 15.763 ( 4.839 1.636 9.964) 11.197 16.000 ( 26.847 9.247 1.961) 28.462 16.824 ( 7.948 2.531 -5.913) 10.225 17.291 ( 14.890 -0.428 0.581) 14.908 17.360 ( 1.110 6.256 0.424) 6.367 17.508 ( -4.062 3.848 -4.552) 7.213 17.919 ( 1.776 3.212 5.004) 6.206 18.305 ( 9.232 2.206 -0.313) 9.497 18.478 ( 9.719 -1.214 0.967) 9.842 18.854 ( -5.069 -1.528 -1.692) 5.558 19.651 ( -4.475 0.938 -3.073) 5.509 19.864 ( 1.427 0.960 3.960) 4.318 20.099 ( -5.191 -5.984 -3.170) 8.533 20.242 ( -6.367 -3.217 1.615) 7.315 20.661 ( 0.423 1.432 5.531) 5.729 20.870 ( 5.764 4.904 -4.924) 9.029 21.237 ( -4.205 6.949 -4.657) 9.363 ======================= Grid point 27 (20/172) ======================= q-point: ( 0.60 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.050 ( 19.111 5.719 2.705) 20.131 2.266 ( -5.804 0.993 -3.184) 6.694 2.419 ( 6.444 -0.303 11.410) 13.107 2.711 ( -4.225 4.497 -7.532) 9.736 3.059 ( 6.889 -0.022 0.071) 6.890 3.108 ( 1.055 6.492 -13.421) 14.946 3.174 ( -0.754 2.401 9.083) 9.425 3.330 ( -1.293 -0.880 -5.923) 6.126 3.392 ( 1.101 -4.686 -0.170) 4.817 3.635 ( 3.895 -3.456 6.701) 8.486 3.987 ( -0.078 0.236 -0.504) 0.562 4.151 ( -11.630 -4.210 6.188) 13.830 4.437 ( -1.125 -3.351 -2.013) 4.068 4.815 ( 2.251 7.872 -0.136) 8.188 4.957 ( -2.981 1.939 2.714) 4.473 5.168 ( 4.169 0.014 7.791) 8.836 5.393 ( -1.856 -1.246 -2.766) 3.557 5.668 ( -8.747 2.633 -5.179) 10.501 5.727 ( -3.644 1.306 -9.931) 10.658 6.065 ( 5.635 -3.613 4.372) 7.995 6.331 ( 1.263 0.551 -8.631) 8.740 6.343 ( -2.914 -0.303 0.892) 3.063 6.525 ( 3.567 -2.521 2.166) 4.875 6.655 ( 4.004 0.621 1.522) 4.329 7.043 ( 3.453 -1.857 13.242) 13.810 7.195 ( -1.205 -4.438 4.489) 6.426 7.245 ( 1.158 1.484 -6.375) 6.648 7.469 ( -11.057 -0.463 -5.856) 12.521 7.630 ( -4.758 -0.093 -9.443) 10.575 7.801 ( -0.293 0.390 -0.085) 0.495 7.990 ( 0.815 0.624 -2.321) 2.538 8.142 ( 0.886 4.250 2.443) 4.981 8.419 ( 7.134 2.285 -2.499) 7.897 8.652 ( -4.982 -1.661 1.159) 5.378 8.673 ( 9.974 1.576 1.969) 10.288 8.945 ( -0.781 -3.150 0.088) 3.247 9.141 ( -0.385 -2.100 0.719) 2.252 9.351 ( -5.929 6.073 1.614) 8.640 9.920 ( -0.207 8.183 -0.012) 8.186 10.489 ( 0.330 3.007 -3.194) 4.399 10.850 ( 5.445 -1.068 5.640) 7.912 10.982 ( 0.840 -0.173 -0.040) 0.859 11.575 ( -4.231 -1.452 -0.703) 4.528 11.908 ( 6.240 0.567 -0.031) 6.266 12.012 ( 2.937 3.232 3.955) 5.892 12.374 ( -8.103 -0.962 -3.325) 8.811 12.688 ( -0.092 4.184 3.788) 5.645 12.772 ( 0.149 2.656 -8.485) 8.892 13.339 ( 1.475 -0.835 -1.458) 2.236 13.497 ( -0.892 0.812 0.382) 1.265 13.604 ( -2.820 -0.378 -0.396) 2.873 14.060 ( 1.112 -3.028 3.324) 4.631 14.328 ( -1.332 0.037 -1.534) 2.032 14.612 ( 0.713 -6.798 -1.172) 6.935 15.429 ( 2.227 7.235 8.198) 11.159 15.778 ( 3.263 3.954 3.025) 5.953 16.041 ( 21.807 9.247 1.707) 23.748 16.832 ( 5.209 1.877 -3.774) 6.701 16.865 ( -21.614 17.598 0.580) 27.879 17.372 ( -5.356 3.975 -5.076) 8.382 17.617 ( 13.076 0.220 -0.977) 13.115 17.980 ( 11.402 -3.436 8.476) 14.617 18.295 ( 4.584 4.919 -1.263) 6.841 18.612 ( 5.450 -5.226 -2.066) 7.828 18.839 ( 3.141 0.983 1.467) 3.604 19.543 ( -13.271 2.188 -2.612) 13.701 19.829 ( -1.608 3.678 2.145) 4.551 20.073 ( -3.193 -0.620 -2.630) 4.183 20.367 ( 0.144 -8.169 0.459) 8.183 20.670 ( 1.506 2.018 7.320) 7.741 20.830 ( 1.879 -0.403 -5.196) 5.540 21.059 ( -4.508 7.124 -3.201) 9.018 ======================= Grid point 28 (21/172) ======================= q-point: (-0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 9.701 13.047 3.673) 16.668 2.130 ( -0.582 9.548 -2.486) 9.883 2.462 ( 1.736 6.360 -1.379) 6.735 2.550 ( -3.644 0.992 -0.513) 3.812 2.892 ( -6.149 11.766 -5.253) 14.277 3.042 ( -0.491 2.303 -1.588) 2.840 3.199 ( 3.845 2.362 4.254) 6.201 3.351 ( 2.641 -1.039 1.099) 3.044 3.510 ( 3.994 -5.454 0.664) 6.793 3.712 ( -0.880 -0.557 -1.733) 2.022 3.976 ( 0.616 -1.123 -0.160) 1.291 4.188 ( -7.422 -7.297 3.837) 11.092 4.467 ( 0.009 -0.729 -0.593) 0.940 4.742 ( 0.766 1.446 1.469) 2.199 4.930 ( -1.611 -1.198 -0.530) 2.077 5.275 ( 7.268 -2.294 7.556) 10.733 5.403 ( 0.865 -1.304 -3.499) 3.833 5.509 ( -10.249 -0.081 -6.311) 12.037 5.679 ( -2.060 1.361 -3.774) 4.510 6.131 ( 1.516 0.930 3.650) 4.060 6.236 ( -1.351 2.973 -4.054) 5.206 6.427 ( 0.414 -5.479 0.011) 5.494 6.534 ( 2.233 3.414 -1.739) 4.435 6.689 ( 2.014 0.743 4.406) 4.902 7.126 ( 3.961 2.434 15.751) 16.422 7.163 ( -2.645 3.886 -4.364) 6.414 7.250 ( 0.720 -2.365 -5.137) 5.701 7.414 ( -9.580 -3.061 -4.387) 10.973 7.580 ( -1.211 -1.370 -3.925) 4.330 7.794 ( 1.075 0.339 -0.540) 1.250 7.963 ( -1.494 1.051 -1.466) 2.342 8.099 ( 1.214 2.515 0.953) 2.951 8.426 ( 10.378 3.744 -1.342) 11.114 8.611 ( -3.510 2.762 1.074) 4.594 8.670 ( -1.108 2.709 -2.083) 3.592 9.022 ( 1.593 -3.802 1.942) 4.557 9.157 ( -3.131 2.657 -1.098) 4.251 9.202 ( -4.826 2.536 4.142) 6.847 9.779 ( -0.666 6.007 -2.096) 6.397 10.436 ( 0.575 2.281 -2.121) 3.167 10.852 ( -0.822 2.539 1.003) 2.851 11.052 ( 4.683 -2.627 1.753) 5.649 11.577 ( -1.670 -1.590 1.158) 2.581 11.844 ( 0.168 4.654 -2.491) 5.282 12.069 ( 4.417 1.425 3.824) 6.013 12.345 ( -5.602 -4.058 -0.319) 6.924 12.630 ( -0.289 2.797 1.279) 3.089 12.736 ( 0.114 -1.103 -4.528) 4.662 13.336 ( 0.324 1.897 -0.654) 2.033 13.487 ( -0.430 -0.762 -0.781) 1.172 13.606 ( -0.978 -1.532 -0.404) 1.862 14.130 ( 1.843 -1.710 3.071) 3.969 14.290 ( -1.965 1.566 -1.795) 3.088 14.703 ( -0.069 -3.296 -1.048) 3.459 15.351 ( 5.238 8.127 6.086) 11.425 15.679 ( 0.459 9.836 -1.897) 10.028 16.043 ( 15.410 7.862 -0.238) 17.302 16.361 ( -23.612 15.754 1.427) 28.421 16.861 ( 9.117 2.394 -0.317) 9.432 17.245 ( -7.595 2.276 -3.841) 8.810 17.585 ( 0.536 6.126 -0.070) 6.150 18.208 ( 1.161 5.781 -1.068) 5.992 18.228 ( 15.135 -4.866 7.576) 17.611 18.662 ( -10.756 -5.882 -6.373) 13.817 18.934 ( 23.307 3.444 5.137) 24.114 19.352 ( -22.251 0.775 -2.098) 22.363 19.768 ( -0.458 2.177 -0.398) 2.260 20.054 ( -1.628 0.277 -0.930) 1.895 20.479 ( 1.676 -3.704 -0.183) 4.070 20.638 ( 0.781 4.605 2.520) 5.308 20.843 ( 0.790 6.282 0.543) 6.355 20.968 ( -3.402 -8.618 -2.819) 9.685 ======================= Grid point 29 (22/172) ======================= q-point: (-0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 0.000 19.551 0.000) 19.551 1.901 ( 0.000 17.405 0.000) 17.405 2.307 ( 0.000 7.554 0.000) 7.554 2.548 ( 0.000 21.554 0.000) 21.554 2.584 ( -0.000 -2.633 -0.000) 2.633 3.019 ( -0.000 -0.634 -0.000) 0.634 3.121 ( 0.000 7.978 0.000) 7.978 3.354 ( 0.000 3.043 0.000) 3.043 3.636 ( 0.000 2.501 0.000) 2.501 3.669 ( -0.000 -6.486 -0.000) 6.486 4.051 ( -0.000 -5.301 -0.000) 5.301 4.311 ( -0.000 -6.991 -0.000) 6.991 4.476 ( -0.000 -2.268 -0.000) 2.268 4.784 ( -0.000 -5.396 -0.000) 5.396 4.975 ( -0.000 -3.993 -0.000) 3.993 5.366 ( 0.000 1.795 0.000) 1.795 5.403 ( -0.000 -3.520 -0.000) 3.520 5.508 ( -0.000 -4.046 -0.000) 4.046 5.617 ( 0.000 2.548 0.000) 2.548 6.123 ( 0.000 0.029 0.000) 0.029 6.175 ( 0.000 3.322 0.000) 3.322 6.450 ( 0.000 5.971 0.000) 5.971 6.510 ( -0.000 -2.852 -0.000) 2.852 6.677 ( 0.000 2.128 0.000) 2.128 7.033 ( 0.000 6.841 0.000) 6.841 7.144 ( 0.000 2.655 0.000) 2.655 7.288 ( -0.000 -1.967 -0.000) 1.967 7.367 ( 0.000 0.399 0.000) 0.399 7.617 ( -0.000 -2.858 -0.000) 2.858 7.805 ( -0.000 -0.882 -0.000) 0.882 7.932 ( 0.000 0.961 0.000) 0.961 8.072 ( 0.000 1.227 0.000) 1.227 8.421 ( 0.000 4.116 0.000) 4.116 8.533 ( 0.000 7.827 0.000) 7.827 8.569 ( 0.000 0.897 0.000) 0.897 9.021 ( 0.000 5.780 0.000) 5.780 9.099 ( -0.000 -2.637 -0.000) 2.637 9.208 ( -0.000 -0.539 -0.000) 0.539 9.698 ( 0.000 2.217 0.000) 2.217 10.400 ( 0.000 1.633 0.000) 1.633 10.800 ( 0.000 2.659 0.000) 2.659 11.115 ( -0.000 -1.523 -0.000) 1.523 11.606 ( -0.000 -1.581 -0.000) 1.581 11.761 ( 0.000 3.877 0.000) 3.877 12.037 ( 0.000 3.490 0.000) 3.490 12.412 ( -0.000 -4.700 -0.000) 4.700 12.607 ( 0.000 0.084 0.000) 0.084 12.766 ( -0.000 -3.228 -0.000) 3.228 13.291 ( 0.000 2.488 0.000) 2.488 13.496 ( -0.000 -0.117 -0.000) 0.117 13.627 ( -0.000 -1.093 -0.000) 1.093 14.158 ( 0.000 0.554 0.000) 0.554 14.249 ( 0.000 1.057 0.000) 1.057 14.721 ( 0.000 0.496 0.000) 0.496 15.263 ( 0.000 7.213 0.000) 7.213 15.430 ( 0.000 15.445 0.000) 15.445 15.973 ( 0.000 12.457 0.000) 12.457 16.039 ( 0.000 4.018 0.000) 4.018 16.855 ( 0.000 4.820 0.000) 4.820 17.158 ( 0.000 1.488 0.000) 1.488 17.476 ( 0.000 5.198 0.000) 5.198 18.098 ( 0.000 6.071 0.000) 6.071 18.402 ( -0.000 -4.243 -0.000) 4.243 18.686 ( -0.000 -4.728 -0.000) 4.728 18.970 ( 0.000 8.405 0.000) 8.405 19.272 ( -0.000 -6.464 -0.000) 6.464 19.740 ( 0.000 0.890 0.000) 0.890 20.028 ( 0.000 1.556 0.000) 1.556 20.537 ( -0.000 -2.176 -0.000) 2.176 20.552 ( 0.000 6.186 0.000) 6.186 20.717 ( 0.000 5.802 0.000) 5.802 21.163 ( -0.000 -12.678 -0.000) 12.678 ======================= Grid point 34 (23/172) ======================= q-point: ( 0.30 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.521 ( 24.914 0.000 15.449) 29.315 1.820 ( 22.236 0.000 -5.173) 22.830 2.571 ( 11.019 0.000 19.637) 22.518 2.590 ( -7.287 -0.000 4.743) 8.695 2.606 ( 12.758 0.000 -5.266) 13.802 2.909 ( 9.278 0.000 1.036) 9.336 3.192 ( 6.837 0.000 -2.172) 7.174 3.290 ( -7.864 -0.000 7.400) 10.798 3.634 ( -6.082 -0.000 -16.762) 17.831 3.738 ( 16.714 0.000 13.815) 21.684 3.815 ( -7.324 -0.000 5.402) 9.100 4.034 ( -13.678 -0.000 3.063) 14.016 4.476 ( 1.064 0.000 -10.850) 10.902 5.087 ( 6.267 0.000 -13.623) 14.995 5.159 ( -6.198 -0.000 3.269) 7.007 5.327 ( -4.781 -0.000 -2.189) 5.258 5.475 ( -3.883 -0.000 0.706) 3.947 5.789 ( -5.087 -0.000 4.831) 7.015 5.891 ( -3.715 -0.000 7.798) 8.638 6.001 ( 4.328 0.000 3.485) 5.557 6.134 ( 16.815 0.000 -0.999) 16.845 6.353 ( 5.122 0.000 -0.620) 5.159 6.401 ( 0.715 0.000 -4.579) 4.634 6.485 ( 3.888 0.000 -8.288) 9.155 6.737 ( -10.083 -0.000 -6.026) 11.746 7.153 ( -2.480 -0.000 -2.874) 3.796 7.294 ( 9.955 0.000 6.091) 11.671 7.605 ( -10.350 -0.000 -2.240) 10.590 7.686 ( -8.990 -0.000 -3.909) 9.803 7.829 ( 3.864 0.000 0.069) 3.864 8.083 ( 2.180 0.000 7.144) 7.469 8.097 ( 3.557 0.000 -7.391) 8.203 8.266 ( 13.171 0.000 7.485) 15.149 8.492 ( 2.321 0.000 9.575) 9.852 8.608 ( -4.917 -0.000 -9.768) 10.936 8.929 ( 1.544 0.000 -9.263) 9.391 9.045 ( -3.461 -0.000 2.318) 4.165 9.625 ( 11.866 0.000 -12.107) 16.952 10.240 ( -3.131 -0.000 10.178) 10.649 10.468 ( 2.636 0.000 5.971) 6.527 10.589 ( 11.324 0.000 7.789) 13.744 11.069 ( -0.279 -0.000 -2.807) 2.821 11.541 ( -0.942 -0.000 -1.713) 1.955 11.557 ( 1.621 0.000 -1.144) 1.985 12.471 ( -1.437 -0.000 -5.358) 5.547 12.697 ( 4.939 0.000 -3.564) 6.090 12.911 ( -1.298 -0.000 4.165) 4.362 13.079 ( -12.397 -0.000 -7.463) 14.470 13.460 ( -12.260 -0.000 7.801) 14.532 13.500 ( 5.750 0.000 3.738) 6.858 13.693 ( -2.049 -0.000 -2.049) 2.898 13.735 ( -2.344 -0.000 -8.158) 8.488 14.097 ( 4.780 0.000 1.707) 5.075 14.435 ( -1.992 -0.000 -2.571) 3.252 15.456 ( 1.867 0.000 12.186) 12.328 15.738 ( 5.124 0.000 14.443) 15.325 16.295 ( 35.733 0.000 -2.785) 35.842 16.303 ( 40.080 0.000 4.494) 40.331 16.998 ( 0.730 0.000 -4.251) 4.314 17.502 ( 5.301 0.000 0.890) 5.375 17.966 ( -1.193 -0.000 10.155) 10.225 18.159 ( 14.741 0.000 4.138) 15.310 18.356 ( -5.553 -0.000 -11.238) 12.535 18.457 ( 2.149 0.000 -18.008) 18.135 18.867 ( 9.377 0.000 3.894) 10.154 19.473 ( -15.891 -0.000 17.196) 23.415 19.787 ( -2.827 -0.000 -4.950) 5.700 19.844 ( 3.369 0.000 2.211) 4.030 20.423 ( -11.471 -0.000 1.850) 11.619 20.689 ( 0.030 0.000 2.849) 2.850 21.117 ( 11.331 0.000 -20.925) 23.796 21.452 ( -2.395 -0.000 0.367) 2.423 ======================= Grid point 35 (24/172) ======================= q-point: ( 0.40 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 20.634 -3.995 11.613) 24.012 1.975 ( 13.734 -4.034 -6.240) 15.616 2.487 ( -1.387 5.210 10.049) 11.404 2.673 ( 14.807 -1.904 -14.834) 21.046 2.849 ( 2.116 -7.703 19.701) 21.259 2.981 ( 3.840 -1.859 1.007) 4.384 3.202 ( -0.234 2.000 6.745) 7.040 3.312 ( 1.303 -2.619 1.679) 3.373 3.510 ( -5.584 1.060 -18.104) 18.975 3.726 ( -9.484 3.547 2.224) 10.367 3.938 ( 13.174 -1.348 15.176) 20.141 3.978 ( -12.066 -3.951 4.013) 13.316 4.416 ( 4.273 4.683 -12.954) 14.422 5.066 ( 7.254 2.974 -8.123) 11.289 5.113 ( -3.678 1.108 -2.292) 4.473 5.314 ( -2.152 -2.498 -1.270) 3.534 5.426 ( -7.267 0.823 4.689) 8.687 5.744 ( -8.116 0.394 2.839) 8.607 5.849 ( -0.012 4.543 6.126) 7.627 6.084 ( 3.090 0.913 3.695) 4.902 6.194 ( 11.695 1.103 -4.031) 12.419 6.392 ( -0.476 0.017 -4.790) 4.814 6.436 ( 5.505 -1.560 -1.016) 5.811 6.500 ( 4.470 -3.505 -6.574) 8.688 6.676 ( -4.028 -3.008 -2.581) 5.651 7.120 ( -2.136 0.142 -2.098) 2.997 7.366 ( 5.847 2.779 4.489) 7.878 7.531 ( -11.130 -2.460 -2.515) 11.673 7.622 ( -7.810 -2.754 -5.540) 9.963 7.839 ( 1.489 1.564 0.699) 2.270 8.036 ( 1.019 2.470 -0.342) 2.694 8.166 ( 0.843 -3.706 -2.012) 4.301 8.442 ( 14.545 -1.700 9.205) 17.297 8.527 ( 3.112 1.927 5.460) 6.573 8.549 ( -4.341 -1.434 -5.031) 6.798 8.913 ( 1.119 -0.433 -7.275) 7.373 9.033 ( -3.120 -1.076 1.271) 3.536 9.635 ( 7.253 3.105 -8.154) 11.346 10.229 ( -0.824 2.980 7.882) 8.467 10.544 ( 2.765 -2.639 5.190) 6.446 10.685 ( 7.702 1.145 5.895) 9.766 11.048 ( -0.955 0.644 -2.319) 2.590 11.530 ( -1.313 -0.374 -1.336) 1.910 11.622 ( 6.175 -3.382 3.194) 7.731 12.417 ( -3.190 1.237 -6.935) 7.733 12.604 ( -1.857 10.210 -3.837) 11.064 12.888 ( -1.276 2.154 2.173) 3.316 12.977 ( -7.492 -1.650 -7.043) 10.415 13.388 ( -5.450 2.716 5.646) 8.304 13.534 ( 2.623 1.712 1.985) 3.708 13.639 ( 0.052 0.561 -0.718) 0.913 13.796 ( -1.388 -7.219 -4.863) 8.814 14.148 ( 2.493 -1.492 0.992) 3.070 14.416 ( -1.034 -0.806 -1.403) 1.920 15.521 ( 0.340 -0.654 10.551) 10.576 15.813 ( 2.429 0.788 12.026) 12.294 16.388 ( 38.267 12.092 -0.072) 40.132 16.845 ( 30.075 -10.874 -2.233) 32.059 16.971 ( 9.762 -0.008 -1.922) 9.949 17.543 ( 2.173 0.639 1.633) 2.792 17.928 ( -5.599 9.698 7.710) 13.596 18.072 ( -2.286 6.923 -6.914) 10.048 18.353 ( 13.564 0.543 1.847) 13.700 18.446 ( -2.562 -2.689 -11.704) 12.279 18.875 ( 4.479 5.612 4.160) 8.298 19.561 ( -7.460 -11.678 9.778) 16.959 19.749 ( -3.730 -1.585 -6.231) 7.433 19.885 ( 3.198 -0.363 2.550) 4.106 20.313 ( -11.791 2.197 1.066) 12.042 20.697 ( -0.119 0.306 2.950) 2.969 21.081 ( 8.319 4.713 -12.440) 15.690 21.411 ( -3.044 2.479 -2.138) 4.470 ======================= Grid point 36 (25/172) ======================= q-point: ( 0.50 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 11.714 -3.589 4.627) 13.096 2.134 ( 6.174 -5.849 -4.454) 9.600 2.484 ( 5.314 2.339 15.924) 16.949 2.768 ( 13.648 -0.588 -10.990) 17.532 3.008 ( 3.799 -1.883 5.965) 7.319 3.055 ( -3.616 -6.369 0.294) 7.330 3.200 ( -6.584 -0.848 9.590) 11.664 3.353 ( -1.541 4.401 -18.897) 19.463 3.398 ( 6.331 -2.016 -0.721) 6.683 3.597 ( -9.025 2.171 3.938) 10.083 3.985 ( -8.671 -3.894 5.134) 10.803 4.087 ( 6.830 1.666 12.323) 14.187 4.304 ( -0.210 1.323 -12.608) 12.679 5.036 ( 9.127 5.040 -9.167) 13.883 5.049 ( -3.190 1.603 1.417) 3.841 5.339 ( -1.895 -1.855 -3.450) 4.351 5.367 ( -5.756 4.722 15.129) 16.862 5.682 ( -5.769 -0.185 -1.873) 6.069 5.811 ( -1.579 1.499 0.284) 2.196 6.024 ( 6.373 5.764 -1.853) 8.791 6.324 ( -3.817 0.829 -3.341) 5.140 6.328 ( 6.855 -4.786 -1.089) 8.431 6.445 ( 1.771 1.174 -5.819) 6.195 6.608 ( 3.987 -3.670 -0.237) 5.424 6.786 ( 2.129 -8.896 4.812) 10.336 7.107 ( -1.362 -1.099 -1.106) 2.071 7.334 ( -0.426 3.064 -0.666) 3.165 7.476 ( -8.602 -0.469 -0.387) 8.623 7.592 ( -4.832 -1.772 -7.068) 8.743 7.821 ( 0.269 1.067 0.819) 1.372 8.019 ( 1.058 0.868 -0.185) 1.381 8.226 ( 2.886 -1.751 -1.114) 3.554 8.485 ( 3.764 3.066 -2.205) 5.332 8.555 ( -5.254 -2.713 3.545) 6.894 8.638 ( 10.929 -2.918 5.834) 12.727 8.897 ( -0.426 0.040 -3.486) 3.512 9.049 ( -1.508 -2.602 -0.417) 3.036 9.571 ( 2.082 5.676 -3.486) 6.979 10.183 ( 0.631 5.292 4.515) 6.985 10.591 ( 0.645 1.389 0.943) 1.799 10.762 ( 6.734 -1.960 5.577) 8.961 11.015 ( -1.277 1.144 -1.394) 2.210 11.521 ( -2.342 -0.821 -1.247) 2.777 11.785 ( 9.816 -4.694 7.214) 13.055 12.314 ( -0.628 7.233 -5.570) 9.151 12.370 ( -10.167 4.672 -6.814) 13.100 12.839 ( -0.649 3.434 1.806) 3.934 12.919 ( -1.277 2.512 -4.874) 5.631 13.334 ( -1.262 1.808 2.571) 3.387 13.525 ( 1.348 1.049 0.552) 1.795 13.632 ( -1.493 0.883 -0.346) 1.769 13.895 ( -0.662 -6.302 -1.252) 6.459 14.212 ( 0.545 -4.685 -0.242) 4.722 14.440 ( 0.350 -2.244 0.200) 2.280 15.556 ( -0.577 0.830 7.619) 7.686 15.851 ( 1.419 1.244 8.169) 8.384 16.471 ( 35.583 13.010 0.402) 37.889 16.880 ( 1.934 1.678 -4.862) 5.495 17.385 ( 23.433 -9.317 2.221) 25.315 17.435 ( -11.210 10.553 1.598) 15.479 17.658 ( 4.966 11.106 -6.216) 13.662 18.002 ( -1.012 2.704 6.791) 7.380 18.419 ( 3.794 -0.323 -6.154) 7.237 18.442 ( 0.327 -1.368 -0.736) 1.587 18.851 ( 4.044 1.759 3.579) 5.679 19.633 ( -4.275 1.811 -0.571) 4.678 19.848 ( -0.770 -13.072 -1.865) 13.226 19.927 ( 1.316 -0.941 3.488) 3.845 20.175 ( -10.730 2.474 -0.206) 11.014 20.704 ( 0.300 0.502 4.230) 4.270 20.995 ( 4.522 6.371 -7.132) 10.579 21.301 ( -3.109 5.619 -2.699) 6.966 ======================= Grid point 37 (26/172) ======================= q-point: ( 0.60 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.177 ( 2.965 -2.982 3.010) 5.171 2.217 ( 3.250 -2.434 -3.757) 5.532 2.571 ( 7.434 3.332 14.925) 17.004 2.772 ( 4.182 5.385 -7.139) 9.871 3.076 ( 4.013 -1.400 -3.277) 5.367 3.136 ( -7.936 -6.376 -1.250) 10.256 3.191 ( -4.943 -1.628 4.927) 7.166 3.226 ( 7.843 4.024 -9.538) 12.988 3.377 ( -5.028 1.623 -3.067) 6.109 3.628 ( 3.656 -3.609 5.249) 7.344 4.007 ( -4.688 -2.154 5.779) 7.746 4.065 ( -0.385 3.777 0.540) 3.835 4.331 ( -0.696 -6.106 -2.958) 6.820 4.960 ( 5.883 5.754 -6.210) 10.309 5.007 ( -3.919 3.715 4.310) 6.909 5.261 ( -2.075 4.694 8.863) 10.242 5.361 ( 1.458 -0.125 0.110) 1.468 5.660 ( -1.864 -0.535 -1.798) 2.645 5.677 ( -6.331 5.930 -9.089) 12.565 6.082 ( 6.581 -3.757 5.645) 9.449 6.279 ( 0.451 0.187 -3.111) 3.149 6.354 ( -3.580 2.511 -5.889) 7.334 6.490 ( 2.744 -4.724 1.339) 5.625 6.691 ( 4.384 -1.681 1.351) 4.886 6.993 ( -0.080 -9.105 8.021) 12.134 7.131 ( -0.213 -3.138 -1.623) 3.539 7.270 ( -0.893 2.156 -4.230) 4.831 7.401 ( -4.520 2.561 0.329) 5.205 7.553 ( -3.593 -0.847 -5.202) 6.378 7.813 ( 0.252 0.533 0.249) 0.640 8.005 ( 0.107 1.151 -0.597) 1.301 8.237 ( 2.297 3.291 0.724) 4.078 8.482 ( 6.211 0.220 -2.989) 6.896 8.569 ( -6.415 -2.534 2.358) 7.290 8.760 ( 5.436 -0.562 2.201) 5.892 8.895 ( -0.127 -1.804 -0.254) 1.826 9.090 ( -0.525 -3.026 -0.486) 3.110 9.448 ( -1.365 7.502 -0.251) 7.629 10.078 ( 0.348 8.488 1.261) 8.589 10.540 ( -0.027 3.564 -0.923) 3.682 10.880 ( 4.217 -2.558 3.562) 6.084 10.985 ( -0.250 0.413 -0.399) 0.626 11.514 ( -2.473 -1.321 -0.843) 2.927 11.972 ( 10.149 -2.484 6.345) 12.224 12.128 ( -0.547 8.011 0.687) 8.059 12.253 ( -9.769 -1.595 -8.714) 13.188 12.776 ( -0.638 3.766 2.433) 4.528 12.822 ( 0.562 5.669 -4.412) 7.205 13.329 ( 0.535 -0.732 0.694) 1.142 13.523 ( 1.832 1.289 0.319) 2.263 13.579 ( -3.715 1.261 -1.036) 4.058 14.000 ( 0.326 -5.510 1.293) 5.669 14.294 ( -0.012 -3.184 -0.976) 3.331 14.506 ( 0.434 -5.100 0.307) 5.128 15.546 ( 0.091 2.827 4.650) 5.442 15.853 ( 0.502 2.099 3.065) 3.748 16.494 ( 30.358 15.015 0.634) 33.874 16.867 ( 1.024 1.010 -2.582) 2.956 16.988 ( -23.961 16.391 0.026) 29.031 17.434 ( -1.484 7.738 -1.642) 8.048 17.744 ( 14.885 1.047 -2.073) 15.065 18.046 ( 9.534 -3.153 8.774) 13.335 18.410 ( 0.874 1.656 -3.983) 4.401 18.443 ( -8.215 -3.293 -3.148) 9.393 18.922 ( 9.346 -1.973 3.210) 10.077 19.511 ( -8.038 5.494 -2.119) 9.965 19.907 ( 0.517 4.793 2.141) 5.275 20.017 ( -1.616 -3.334 -1.922) 4.174 20.167 ( -3.140 -11.657 0.516) 12.084 20.724 ( 1.124 -0.235 5.318) 5.440 20.878 ( 1.103 6.382 -5.518) 8.508 21.154 ( -2.163 7.424 -1.488) 7.874 ======================= Grid point 38 (27/172) ======================= q-point: (-0.30 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 0.000 1.423 0.000) 1.423 2.239 ( 0.000 3.796 0.000) 3.796 2.563 ( 0.000 3.340 0.000) 3.340 2.626 ( 0.000 9.082 0.000) 9.082 3.052 ( 0.000 9.488 0.000) 9.488 3.076 ( 0.000 1.890 0.000) 1.890 3.200 ( -0.000 -2.276 -0.000) 2.276 3.311 ( -0.000 -6.074 -0.000) 6.074 3.399 ( -0.000 -6.306 -0.000) 6.306 3.708 ( -0.000 -1.639 -0.000) 1.639 3.992 ( 0.000 2.653 0.000) 2.653 4.063 ( -0.000 -4.264 -0.000) 4.264 4.421 ( -0.000 -4.287 -0.000) 4.287 4.849 ( 0.000 8.548 0.000) 8.548 4.925 ( 0.000 1.984 0.000) 1.984 5.268 ( -0.000 -2.655 -0.000) 2.655 5.384 ( -0.000 -1.675 -0.000) 1.675 5.491 ( 0.000 6.438 0.000) 6.438 5.674 ( -0.000 -0.582 -0.000) 0.582 6.186 ( 0.000 0.401 0.000) 0.401 6.251 ( 0.000 1.974 0.000) 1.974 6.321 ( -0.000 -4.797 -0.000) 4.797 6.561 ( -0.000 -1.368 -0.000) 1.368 6.727 ( 0.000 0.512 0.000) 0.512 7.146 ( -0.000 -6.376 -0.000) 6.376 7.194 ( -0.000 -3.011 -0.000) 3.011 7.212 ( 0.000 3.009 0.000) 3.009 7.337 ( 0.000 1.472 0.000) 1.472 7.540 ( -0.000 -0.983 -0.000) 0.983 7.805 ( 0.000 0.499 0.000) 0.499 7.978 ( 0.000 1.542 0.000) 1.542 8.172 ( 0.000 4.504 0.000) 4.504 8.518 ( 0.000 0.849 0.000) 0.849 8.562 ( -0.000 -1.236 -0.000) 1.236 8.757 ( 0.000 3.341 0.000) 3.341 8.957 ( -0.000 -4.324 -0.000) 4.324 9.137 ( -0.000 -2.398 -0.000) 2.398 9.297 ( 0.000 8.154 0.000) 8.154 9.915 ( 0.000 9.454 0.000) 9.454 10.479 ( 0.000 2.948 0.000) 2.948 10.896 ( 0.000 2.135 0.000) 2.135 11.023 ( -0.000 -3.129 -0.000) 3.129 11.532 ( -0.000 -2.197 -0.000) 2.197 11.941 ( 0.000 6.532 0.000) 6.532 12.141 ( 0.000 1.457 0.000) 1.457 12.216 ( -0.000 -5.531 -0.000) 5.531 12.708 ( 0.000 5.595 0.000) 5.595 12.732 ( 0.000 1.571 0.000) 1.571 13.353 ( -0.000 -0.595 -0.000) 0.595 13.491 ( 0.000 1.975 0.000) 1.975 13.569 ( -0.000 -1.560 -0.000) 1.560 14.092 ( -0.000 -4.060 -0.000) 4.060 14.305 ( 0.000 0.969 0.000) 0.969 14.616 ( -0.000 -6.178 -0.000) 6.178 15.491 ( 0.000 4.789 0.000) 4.789 15.803 ( 0.000 4.633 0.000) 4.633 16.441 ( 0.000 14.171 0.000) 14.171 16.454 ( 0.000 18.519 0.000) 18.519 16.905 ( -0.000 -0.734 -0.000) 0.734 17.287 ( 0.000 6.490 0.000) 6.490 17.706 ( 0.000 6.245 0.000) 6.245 18.229 ( -0.000 -4.872 -0.000) 4.872 18.336 ( 0.000 5.965 0.000) 5.965 18.462 ( -0.000 -7.009 -0.000) 7.009 19.059 ( -0.000 -5.463 -0.000) 5.463 19.315 ( 0.000 9.701 0.000) 9.701 19.821 ( 0.000 4.238 0.000) 4.238 20.041 ( -0.000 -1.029 -0.000) 1.029 20.369 ( -0.000 -9.724 -0.000) 9.724 20.749 ( 0.000 6.332 0.000) 6.332 20.793 ( -0.000 -5.510 -0.000) 5.510 21.001 ( 0.000 8.399 0.000) 8.399 ======================= Grid point 45 (28/172) ======================= q-point: ( 0.40 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 15.086 0.000 7.521) 16.857 1.989 ( 6.640 0.000 -7.015) 9.659 2.563 ( -0.158 -0.000 8.505) 8.506 2.735 ( 17.367 0.000 -12.638) 21.478 2.879 ( 1.492 0.000 20.989) 21.042 2.971 ( -2.049 -0.000 0.804) 2.201 3.224 ( -7.633 -0.000 8.235) 11.229 3.328 ( 8.209 0.000 -1.586) 8.361 3.420 ( -0.463 -0.000 -15.536) 15.543 3.708 ( -7.313 -0.000 -0.929) 7.372 3.825 ( -14.647 -0.000 1.950) 14.776 4.047 ( 3.346 0.000 12.920) 13.346 4.535 ( 16.688 0.000 -9.230) 19.070 5.101 ( -2.967 -0.000 2.246) 3.721 5.108 ( 7.845 0.000 -10.964) 13.481 5.256 ( -2.581 -0.000 0.600) 2.649 5.374 ( -7.440 -0.000 -0.117) 7.441 5.667 ( -12.238 -0.000 1.855) 12.378 5.937 ( -0.228 -0.000 8.691) 8.694 6.114 ( 5.411 0.000 3.681) 6.545 6.322 ( 8.645 0.000 -7.152) 11.220 6.371 ( 1.543 0.000 -3.001) 3.375 6.465 ( 1.982 0.000 -8.928) 9.145 6.475 ( 8.823 0.000 3.608) 9.532 6.588 ( -5.847 -0.000 -1.732) 6.098 7.091 ( -2.389 -0.000 -2.636) 3.558 7.380 ( -11.022 -0.000 -1.726) 11.156 7.507 ( 8.033 0.000 4.311) 9.117 7.509 ( -7.301 -0.000 -3.734) 8.200 7.859 ( -0.921 -0.000 -0.084) 0.925 8.061 ( -3.476 -0.000 1.116) 3.651 8.123 ( 3.970 0.000 -2.716) 4.811 8.482 ( -4.138 -0.000 -2.033) 4.610 8.564 ( 10.986 0.000 7.131) 13.098 8.587 ( 2.467 0.000 2.627) 3.604 8.897 ( 2.427 0.000 -6.466) 6.907 9.000 ( -3.679 -0.000 1.304) 3.904 9.685 ( 4.966 0.000 -6.244) 7.978 10.276 ( -0.600 -0.000 5.596) 5.628 10.574 ( 4.108 0.000 6.542) 7.725 10.755 ( 2.836 0.000 1.780) 3.348 11.038 ( -0.928 -0.000 -1.909) 2.123 11.524 ( -0.257 -0.000 -0.552) 0.609 11.674 ( 10.611 0.000 8.050) 13.319 12.339 ( -9.075 -0.000 -10.804) 14.110 12.735 ( 1.865 0.000 -1.598) 2.456 12.812 ( -9.103 -0.000 -7.206) 11.610 12.896 ( -2.132 -0.000 1.233) 2.463 13.412 ( -2.654 -0.000 8.621) 9.021 13.588 ( 1.899 0.000 2.337) 3.011 13.628 ( -2.466 -0.000 -8.481) 8.832 13.701 ( 2.216 0.000 1.048) 2.451 14.172 ( 2.914 0.000 0.920) 3.055 14.385 ( -1.577 -0.000 -2.121) 2.643 15.560 ( 0.367 0.000 8.537) 8.545 15.874 ( 1.194 0.000 7.935) 8.024 16.819 ( 18.136 0.000 -4.073) 18.588 16.965 ( 36.035 0.000 -0.448) 36.037 17.033 ( 18.194 0.000 2.211) 18.328 17.584 ( 3.088 0.000 2.046) 3.704 18.020 ( -18.215 -0.000 -9.928) 20.745 18.027 ( -3.024 -0.000 12.942) 13.290 18.316 ( -2.646 -0.000 -15.764) 15.985 18.472 ( 10.310 0.000 3.587) 10.916 19.062 ( 10.949 0.000 1.525) 11.055 19.358 ( -11.037 -0.000 9.654) 14.663 19.701 ( -2.315 -0.000 -4.661) 5.204 19.923 ( 4.368 0.000 1.584) 4.647 20.241 ( -11.890 -0.000 1.752) 12.019 20.704 ( -0.165 -0.000 1.195) 1.206 21.130 ( 5.593 0.000 -10.170) 11.607 21.411 ( -2.234 -0.000 -0.660) 2.330 ======================= Grid point 46 (29/172) ======================= q-point: ( 0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( 3.012 -3.690 -2.840) 5.546 2.088 ( 4.879 -2.417 1.204) 5.577 2.630 ( 8.546 -0.386 12.921) 15.496 2.830 ( 12.200 -0.820 -11.353) 16.685 2.918 ( -5.925 -1.181 3.152) 6.815 3.005 ( -3.123 -3.750 5.526) 7.372 3.184 ( -4.541 1.888 6.761) 8.361 3.317 ( -0.429 -0.235 -9.976) 9.988 3.453 ( 10.969 0.810 -4.410) 11.850 3.577 ( -9.413 2.996 3.188) 10.380 3.818 ( -8.787 -7.125 0.691) 11.334 4.120 ( -0.200 -3.082 6.099) 6.836 4.485 ( 8.909 13.851 -4.712) 17.130 5.055 ( -1.894 1.622 -0.011) 2.494 5.165 ( 12.183 2.388 -7.835) 14.680 5.287 ( 0.260 -2.142 -2.631) 3.403 5.327 ( -10.707 -4.412 8.711) 14.490 5.595 ( -8.120 -1.726 -0.779) 8.338 5.906 ( 0.855 5.727 4.390) 7.267 6.177 ( 5.361 3.350 1.331) 6.460 6.267 ( -2.250 1.497 -2.765) 3.867 6.367 ( 4.814 1.779 -1.146) 5.259 6.443 ( 0.423 0.585 -6.572) 6.612 6.585 ( 5.390 -3.103 0.881) 6.281 6.640 ( -1.836 -9.093 1.822) 9.454 7.071 ( -1.580 -0.639 -1.717) 2.419 7.299 ( -6.977 -0.458 -2.089) 7.297 7.453 ( -3.244 -0.028 -0.641) 3.307 7.567 ( 3.818 1.663 1.159) 4.323 7.833 ( -1.641 0.627 -0.294) 1.782 8.035 ( -0.572 0.659 0.310) 0.926 8.184 ( 2.147 -3.903 -1.005) 4.567 8.466 ( -2.265 -1.708 -1.480) 3.200 8.581 ( 1.014 2.879 2.095) 3.702 8.678 ( 5.664 -2.275 3.800) 7.190 8.892 ( 1.170 0.331 -2.940) 3.181 8.993 ( -1.986 -1.772 0.089) 2.663 9.662 ( 1.903 3.738 -2.721) 4.999 10.269 ( 0.127 2.428 2.702) 3.635 10.630 ( 2.407 0.621 3.815) 4.554 10.773 ( 0.892 -1.686 -0.016) 1.907 11.019 ( -0.677 0.714 -0.957) 1.373 11.512 ( -0.313 0.811 -0.239) 0.902 11.844 ( 13.256 -2.803 11.467) 17.750 12.202 ( -13.119 -0.898 -13.155) 18.600 12.530 ( -1.746 12.631 -2.024) 12.911 12.873 ( 0.924 -0.691 -2.943) 3.161 12.883 ( -2.692 -2.822 1.475) 4.170 13.391 ( -0.551 3.738 4.312) 5.734 13.556 ( 0.263 0.946 -0.767) 1.246 13.628 ( -0.490 -0.194 -1.526) 1.615 13.776 ( 0.668 -5.731 -0.252) 5.776 14.178 ( 0.676 0.295 0.237) 0.774 14.398 ( -0.180 -2.621 -0.642) 2.705 15.587 ( -0.016 0.182 4.492) 4.496 15.898 ( 0.457 0.623 4.025) 4.099 16.856 ( 4.815 0.727 -3.164) 5.807 17.020 ( 26.460 12.712 1.123) 29.376 17.408 ( 11.694 -4.434 3.930) 13.109 17.540 ( -1.047 5.389 0.045) 5.490 17.790 ( -3.459 2.656 -8.225) 9.310 18.043 ( -5.036 0.903 11.878) 12.933 18.258 ( -5.958 -2.781 -12.333) 13.976 18.532 ( 4.720 1.552 2.079) 5.386 18.990 ( 3.902 8.389 2.622) 9.616 19.539 ( -2.356 -16.198 4.323) 16.930 19.654 ( -1.552 1.594 -4.379) 4.912 19.966 ( 4.536 -0.175 1.280) 4.716 20.139 ( -9.121 2.363 0.532) 9.437 20.713 ( -0.061 -0.605 1.260) 1.399 21.095 ( 2.507 4.249 -4.964) 6.998 21.361 ( -1.391 3.553 -0.678) 3.875 ======================= Grid point 47 (30/172) ======================= q-point: ( 0.60 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -0.000 -4.581 -0.000) 4.581 2.151 ( -0.000 -3.858 -0.000) 3.858 2.728 ( 0.000 4.538 0.000) 4.538 2.831 ( -0.000 -1.991 -0.000) 1.991 2.950 ( -0.000 -4.437 -0.000) 4.437 3.057 ( -0.000 -3.402 -0.000) 3.402 3.153 ( 0.000 0.244 0.000) 0.244 3.308 ( 0.000 0.647 0.000) 0.647 3.383 ( 0.000 5.024 0.000) 5.024 3.596 ( -0.000 -3.288 -0.000) 3.288 3.905 ( -0.000 -6.199 -0.000) 6.199 4.211 ( -0.000 -5.816 -0.000) 5.816 4.246 ( 0.000 13.549 0.000) 13.549 5.026 ( 0.000 1.118 0.000) 1.118 5.097 ( 0.000 7.030 0.000) 7.030 5.286 ( -0.000 -0.500 -0.000) 0.500 5.401 ( -0.000 -0.885 -0.000) 0.885 5.600 ( -0.000 -2.558 -0.000) 2.558 5.790 ( 0.000 8.578 0.000) 8.578 6.091 ( 0.000 2.928 0.000) 2.928 6.294 ( -0.000 -1.722 -0.000) 1.722 6.356 ( 0.000 2.611 0.000) 2.611 6.432 ( -0.000 -2.500 -0.000) 2.500 6.667 ( -0.000 -3.277 -0.000) 3.277 6.826 ( -0.000 -10.912 -0.000) 10.912 7.080 ( -0.000 -1.714 -0.000) 1.714 7.271 ( 0.000 0.236 0.000) 0.236 7.435 ( 0.000 1.238 0.000) 1.238 7.535 ( 0.000 2.038 0.000) 2.038 7.821 ( 0.000 0.303 0.000) 0.303 8.022 ( 0.000 0.783 0.000) 0.783 8.259 ( -0.000 -2.492 -0.000) 2.492 8.491 ( -0.000 -2.411 -0.000) 2.411 8.533 ( 0.000 2.681 0.000) 2.681 8.756 ( -0.000 -2.714 -0.000) 2.714 8.882 ( 0.000 0.309 0.000) 0.309 9.031 ( -0.000 -3.086 -0.000) 3.086 9.570 ( 0.000 6.527 0.000) 6.527 10.208 ( 0.000 5.410 0.000) 5.410 10.603 ( 0.000 3.390 0.000) 3.390 10.842 ( -0.000 -4.205 -0.000) 4.205 10.997 ( 0.000 1.111 0.000) 1.111 11.496 ( 0.000 0.430 0.000) 0.430 12.016 ( -0.000 -2.904 -0.000) 2.904 12.111 ( -0.000 -2.509 -0.000) 2.509 12.304 ( 0.000 11.360 0.000) 11.360 12.836 ( 0.000 2.921 0.000) 2.921 12.897 ( 0.000 2.184 0.000) 2.184 13.341 ( 0.000 1.898 0.000) 1.898 13.551 ( 0.000 0.385 0.000) 0.385 13.595 ( 0.000 2.526 0.000) 2.526 13.892 ( -0.000 -6.763 -0.000) 6.763 14.216 ( -0.000 -4.273 -0.000) 4.273 14.445 ( -0.000 -2.666 -0.000) 2.666 15.586 ( 0.000 0.989 0.000) 0.989 15.891 ( 0.000 1.295 0.000) 1.295 16.868 ( -0.000 -0.487 -0.000) 0.487 16.948 ( 0.000 13.891 0.000) 13.891 17.120 ( 0.000 17.024 0.000) 17.024 17.558 ( 0.000 5.078 0.000) 5.078 17.827 ( -0.000 -0.679 -0.000) 0.679 18.054 ( -0.000 -2.744 -0.000) 2.744 18.247 ( -0.000 -4.150 -0.000) 4.150 18.511 ( 0.000 3.349 0.000) 3.349 18.939 ( 0.000 0.445 0.000) 0.445 19.575 ( 0.000 4.801 0.000) 4.801 19.833 ( -0.000 -15.688 -0.000) 15.688 20.018 ( -0.000 -2.522 -0.000) 2.522 20.019 ( 0.000 5.504 0.000) 5.504 20.729 ( -0.000 -0.660 -0.000) 0.660 20.993 ( 0.000 6.740 0.000) 6.740 21.265 ( 0.000 6.205 0.000) 6.205 ======================= Grid point 58 (31/172) ======================= q-point: (-0.50 -0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 0.000 0.000 0.000) 0.000 2.096 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 -0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 2.932 ( 0.000 0.000 -0.000) 0.000 3.211 ( 0.000 0.000 -0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.514 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 -0.000) 0.000 4.102 ( 0.000 0.000 -0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 -0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.278 ( -0.000 -0.000 -0.000) 0.000 5.533 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 0.000 -0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 6.429 ( 0.000 0.000 0.000) 0.000 6.501 ( -0.000 -0.000 0.000) 0.000 6.589 ( 0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 0.000) 0.000 7.432 ( 0.000 0.000 0.000) 0.000 7.621 ( 0.000 0.000 0.000) 0.000 7.824 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.152 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 8.618 ( 0.000 0.000 0.000) 0.000 8.687 ( 0.000 0.000 -0.000) 0.000 8.896 ( 0.000 0.000 -0.000) 0.000 8.967 ( -0.000 -0.000 0.000) 0.000 9.699 ( 0.000 0.000 0.000) 0.000 10.296 ( 0.000 0.000 0.000) 0.000 10.665 ( 0.000 0.000 0.000) 0.000 10.747 ( -0.000 -0.000 -0.000) 0.000 11.021 ( 0.000 0.000 -0.000) 0.000 11.520 ( 0.000 0.000 0.000) 0.000 11.962 ( -0.000 -0.000 -0.000) 0.000 12.049 ( 0.000 0.000 0.000) 0.000 12.719 ( 0.000 0.000 0.000) 0.000 12.739 ( 0.000 0.000 0.000) 0.000 12.884 ( 0.000 0.000 0.000) 0.000 13.452 ( 0.000 0.000 0.000) 0.000 13.551 ( 0.000 0.000 0.000) 0.000 13.611 ( 0.000 0.000 0.000) 0.000 13.730 ( 0.000 0.000 0.000) 0.000 14.200 ( 0.000 0.000 0.000) 0.000 14.362 ( 0.000 0.000 0.000) 0.000 15.597 ( 0.000 0.000 0.000) 0.000 15.914 ( 0.000 0.000 0.000) 0.000 16.860 ( 0.000 0.000 0.000) 0.000 17.301 ( 0.000 0.000 0.000) 0.000 17.509 ( 0.000 0.000 0.000) 0.000 17.606 ( -0.000 -0.000 -0.000) 0.000 17.623 ( -0.000 -0.000 0.000) 0.000 18.061 ( 0.000 0.000 0.000) 0.000 18.190 ( 0.000 0.000 -0.000) 0.000 18.570 ( 0.000 0.000 0.000) 0.000 19.174 ( 0.000 0.000 0.000) 0.000 19.300 ( 0.000 0.000 0.000) 0.000 19.661 ( 0.000 0.000 0.000) 0.000 19.988 ( 0.000 0.000 0.000) 0.000 20.122 ( 0.000 0.000 0.000) 0.000 20.707 ( 0.000 0.000 0.000) 0.000 21.135 ( 0.000 0.000 0.000) 0.000 21.386 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 105 (32/172) ======================= 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -22.071 -0.000 27.374) 35.163 0.559 ( -1.969 -0.000 29.476) 29.542 1.142 ( 19.035 0.000 60.643) 63.561 2.065 ( 13.250 0.000 -10.916) 17.168 2.451 ( -3.586 -0.000 -19.247) 19.578 2.841 ( -5.924 -0.000 2.327) 6.365 3.173 ( 2.210 0.000 1.464) 2.651 3.182 ( -4.123 -0.000 11.284) 12.013 3.579 ( 4.245 0.000 -1.495) 4.501 3.922 ( 3.544 0.000 12.390) 12.887 4.041 ( -5.023 -0.000 -12.295) 13.281 4.416 ( 4.694 0.000 2.507) 5.322 4.815 ( 6.746 0.000 -6.638) 9.465 5.099 ( -6.459 -0.000 -17.779) 18.916 5.292 ( 1.520 0.000 -2.539) 2.959 5.359 ( 3.537 0.000 3.732) 5.142 5.425 ( 3.869 0.000 -2.074) 4.390 5.482 ( 7.653 0.000 1.060) 7.726 5.695 ( -3.768 -0.000 8.003) 8.846 5.984 ( -2.722 -0.000 1.466) 3.091 6.051 ( 1.194 0.000 8.386) 8.470 6.428 ( -4.748 -0.000 -3.866) 6.123 6.456 ( -10.051 -0.000 -11.217) 15.062 6.871 ( 1.227 0.000 1.966) 2.318 6.898 ( -23.198 -0.000 -12.262) 26.240 7.059 ( 13.727 0.000 9.019) 16.425 7.141 ( 25.263 0.000 -6.713) 26.140 7.327 ( 41.725 0.000 1.571) 41.754 7.620 ( 2.492 0.000 -0.449) 2.532 7.627 ( -3.000 -0.000 7.021) 7.635 7.758 ( -0.283 -0.000 3.118) 3.130 8.008 ( -3.088 -0.000 1.057) 3.264 8.309 ( 9.700 0.000 5.192) 11.002 8.317 ( -1.283 -0.000 5.700) 5.843 8.588 ( -25.208 -0.000 -2.196) 25.304 8.971 ( -0.892 -0.000 -7.666) 7.718 8.986 ( -4.557 -0.000 1.432) 4.777 9.096 ( 1.083 0.000 -0.092) 1.087 10.043 ( 3.759 0.000 1.724) 4.136 10.443 ( -3.077 -0.000 7.715) 8.306 10.604 ( -15.080 -0.000 -5.153) 15.936 11.050 ( -0.747 -0.000 -1.418) 1.602 11.621 ( -1.069 -0.000 -2.114) 2.369 11.666 ( -9.968 -0.000 -2.961) 10.398 12.355 ( 9.326 0.000 -7.127) 11.738 12.556 ( -1.779 -0.000 -2.772) 3.294 12.814 ( 2.486 0.000 12.974) 13.210 13.204 ( 1.570 0.000 0.654) 1.700 13.286 ( 0.400 0.000 3.837) 3.858 13.708 ( 2.794 0.000 -4.375) 5.191 13.872 ( 2.896 0.000 1.936) 3.483 13.953 ( -2.479 -0.000 1.159) 2.736 14.543 ( -0.116 -0.000 -3.303) 3.305 14.890 ( 2.949 0.000 -3.499) 4.576 14.909 ( 1.577 0.000 0.676) 1.716 15.076 ( -6.184 -0.000 -8.705) 10.678 16.126 ( 39.036 0.000 -0.019) 39.036 16.127 ( -11.140 -0.000 -1.859) 11.294 16.435 ( 9.069 0.000 8.430) 12.382 16.591 ( 1.460 0.000 6.312) 6.479 17.659 ( 5.930 0.000 -5.825) 8.312 17.798 ( -2.871 -0.000 -7.538) 8.066 17.965 ( 13.835 0.000 8.082) 16.022 18.558 ( -1.692 -0.000 -1.409) 2.202 18.645 ( -0.378 -0.000 6.040) 6.052 19.493 ( 40.995 0.000 -8.226) 41.812 19.736 ( 0.822 0.000 1.074) 1.353 19.861 ( -0.327 -0.000 -1.028) 1.078 20.623 ( -1.345 -0.000 1.753) 2.210 20.672 ( 0.325 0.000 0.113) 0.344 21.214 ( -53.335 -0.000 3.536) 53.453 21.473 ( 2.653 0.000 -0.841) 2.783 ======================= Grid point 106 (33/172) ======================= q-point: ( 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -0.074 -15.560 17.317) 23.281 0.883 ( 9.951 -17.895 21.084) 29.391 1.688 ( 23.382 -13.038 47.514) 54.537 2.142 ( 15.816 0.849 -8.193) 17.833 2.423 ( 1.801 -6.632 -18.576) 19.807 2.868 ( -4.396 -5.789 0.686) 7.301 3.108 ( 0.803 4.402 8.898) 9.960 3.257 ( 1.209 -1.250 0.754) 1.896 3.588 ( -0.831 0.535 1.408) 1.721 3.937 ( -5.254 0.607 -11.084) 12.281 3.982 ( -0.538 0.200 10.835) 10.851 4.448 ( -2.240 -0.267 1.022) 2.476 4.757 ( -3.308 3.048 -5.832) 7.366 4.943 ( -2.518 4.139 -17.432) 18.093 5.263 ( 0.743 3.023 -0.981) 3.264 5.422 ( 1.958 0.219 -5.005) 5.379 5.451 ( 3.345 -3.455 1.341) 4.992 5.513 ( 6.970 4.767 3.544) 9.158 5.770 ( 1.793 -3.815 8.996) 9.934 6.007 ( -0.735 -3.590 0.275) 3.675 6.091 ( -0.240 -0.250 7.525) 7.533 6.333 ( -6.076 -0.087 -8.616) 10.544 6.385 ( -4.601 -1.961 -4.227) 6.549 6.592 ( -12.573 9.583 3.394) 16.169 6.873 ( 1.550 1.462 -6.505) 6.845 7.162 ( 4.738 0.127 0.357) 4.753 7.220 ( 11.848 1.136 8.933) 14.882 7.488 ( -5.287 -0.591 7.228) 8.975 7.654 ( 3.133 -0.888 0.729) 3.337 7.734 ( 14.105 -1.300 -13.433) 19.522 7.809 ( 4.486 -2.088 -1.496) 5.169 8.007 ( -1.653 -2.636 -2.537) 4.014 8.323 ( -4.693 -0.019 5.517) 7.243 8.452 ( -6.047 0.900 9.192) 11.039 8.519 ( 21.217 -4.303 -2.543) 21.798 8.914 ( -0.911 1.459 -7.108) 7.314 8.988 ( 1.286 -1.552 -2.442) 3.166 9.116 ( 0.692 -1.076 0.143) 1.287 10.074 ( 5.860 2.864 8.144) 10.434 10.445 ( -0.353 0.381 6.393) 6.414 10.550 ( -9.062 -5.735 -2.134) 10.935 11.043 ( -1.087 -0.623 -2.201) 2.533 11.576 ( -2.055 1.189 -2.836) 3.699 11.643 ( -2.214 -2.442 -1.859) 3.784 12.391 ( 9.232 1.194 -5.394) 10.759 12.508 ( -2.041 2.999 -3.225) 4.854 12.774 ( 3.741 10.971 14.550) 18.602 13.199 ( 2.207 4.126 0.332) 4.691 13.301 ( 0.717 0.802 4.829) 4.947 13.678 ( 0.453 2.966 -2.986) 4.233 13.830 ( 2.424 5.829 6.570) 9.111 14.002 ( -1.299 -2.629 -0.131) 2.935 14.249 ( -7.277 17.315 12.352) 22.480 14.704 ( -16.681 4.865 -5.546) 18.240 14.980 ( 5.055 -0.330 0.895) 5.144 15.050 ( 11.732 -6.159 0.141) 13.251 15.726 ( 5.508 7.548 17.131) 19.514 16.195 ( 9.257 -1.074 -0.248) 9.322 16.378 ( -13.899 3.749 10.230) 17.660 17.103 ( 28.656 -5.520 -7.941) 30.244 17.555 ( 10.835 5.448 2.371) 12.357 17.901 ( -0.109 -5.252 -3.723) 6.438 18.125 ( -4.611 -1.072 -9.866) 10.943 18.584 ( -1.459 -1.982 -5.731) 6.237 18.762 ( 3.979 -8.282 3.312) 9.767 19.630 ( 17.406 7.840 -8.994) 21.103 19.816 ( 4.963 -0.778 -3.503) 6.124 19.915 ( 17.479 -4.448 -8.853) 20.092 20.477 ( -20.971 9.492 13.925) 26.903 20.664 ( -0.699 0.625 0.314) 0.989 20.770 ( -8.806 5.676 18.190) 20.991 21.544 ( -1.593 -0.733 -5.585) 5.854 ======================= Grid point 107 (34/172) ======================= q-point: ( 0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 1.451 -14.992 9.150) 17.624 1.396 ( 13.143 -19.732 14.953) 28.030 2.158 ( 19.198 -2.729 -2.054) 19.500 2.309 ( 9.494 -11.120 21.452) 25.961 2.553 ( 8.912 -9.063 -13.574) 18.596 2.951 ( -0.797 -3.506 7.687) 8.487 3.096 ( 0.820 1.311 4.207) 4.482 3.290 ( 7.094 -0.609 -4.062) 8.198 3.556 ( -4.318 2.161 5.931) 7.648 3.845 ( -5.770 -0.688 -9.918) 11.495 4.006 ( -3.535 0.893 9.945) 10.592 4.401 ( -6.333 0.637 1.262) 6.489 4.634 ( -4.902 4.237 -6.577) 9.233 4.816 ( 0.134 1.516 -13.128) 13.216 5.199 ( 1.043 4.412 -0.980) 4.639 5.389 ( 0.132 0.907 -4.988) 5.072 5.462 ( 2.687 9.133 11.121) 14.639 5.553 ( 2.512 -4.577 -2.786) 5.918 5.861 ( 1.019 -0.959 8.022) 8.143 6.031 ( -0.686 0.260 -5.933) 5.978 6.145 ( 1.731 -3.536 5.606) 6.851 6.350 ( -0.327 -6.276 -3.304) 7.100 6.403 ( -4.276 -1.632 -0.452) 4.599 6.412 ( -3.321 -0.112 2.911) 4.418 6.797 ( -0.039 4.407 -8.041) 9.169 7.206 ( -0.213 -3.352 -1.174) 3.558 7.294 ( 9.857 4.814 4.617) 11.902 7.499 ( -1.795 -2.211 3.876) 4.810 7.694 ( 2.590 -0.492 -0.119) 2.639 7.802 ( 9.595 -0.536 -9.424) 13.460 7.873 ( 3.366 -2.530 7.409) 8.521 8.050 ( -1.297 -4.686 -2.871) 5.647 8.283 ( -6.135 1.521 5.200) 8.185 8.445 ( -3.470 -0.529 6.816) 7.667 8.711 ( 7.466 -2.608 -2.975) 8.450 8.881 ( 5.735 -0.797 -11.277) 12.676 9.045 ( 7.728 -2.050 -1.477) 8.130 9.136 ( -0.164 -0.622 0.782) 1.012 10.088 ( 3.959 4.970 11.595) 13.222 10.478 ( 1.484 -0.414 6.834) 7.006 10.598 ( -3.728 -6.043 -4.909) 8.632 11.028 ( -0.891 0.367 -3.063) 3.211 11.556 ( 0.299 -0.732 -0.223) 0.822 11.673 ( -2.190 -3.595 -1.568) 4.492 12.359 ( -1.750 9.609 -2.582) 10.102 12.427 ( 7.671 2.122 -0.985) 8.020 12.681 ( 4.730 7.980 10.734) 14.187 13.083 ( -0.046 8.368 -1.300) 8.468 13.323 ( 2.687 0.732 4.338) 5.155 13.601 ( -2.494 3.048 -2.120) 4.473 13.760 ( -2.909 4.776 11.205) 12.523 13.997 ( -2.038 -3.258 -3.718) 5.347 14.220 ( -1.332 -5.880 3.721) 7.085 14.553 ( -7.054 0.634 -3.714) 7.997 15.058 ( 8.744 -1.207 1.238) 8.914 15.299 ( 15.773 -7.021 3.942) 17.709 15.846 ( 12.577 -5.106 2.826) 13.865 16.165 ( 6.511 13.945 4.062) 15.917 16.364 ( -10.116 -12.795 4.015) 16.798 17.329 ( 18.035 -2.884 -3.455) 18.588 17.610 ( 12.173 3.081 7.835) 14.801 17.984 ( -7.349 -3.336 -15.616) 17.578 17.994 ( -3.005 -0.495 5.255) 6.074 18.547 ( -5.441 0.891 -3.505) 6.534 18.895 ( 0.862 -3.727 -0.153) 3.829 19.575 ( 10.611 6.294 -5.856) 13.657 19.826 ( 0.049 -0.572 0.057) 0.577 20.086 ( 17.452 -1.869 -12.125) 21.333 20.317 ( -11.799 0.069 13.302) 17.781 20.650 ( -0.402 0.239 0.151) 0.492 20.752 ( -0.775 2.118 11.890) 12.102 21.457 ( -0.845 5.916 -5.729) 8.278 ======================= Grid point 108 (35/172) ======================= q-point: ( 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 1.603 -10.874 3.485) 11.531 1.876 ( 11.034 -16.509 13.542) 24.035 2.319 ( 13.794 -5.377 -7.226) 16.474 2.579 ( -2.443 -7.199 4.391) 8.779 2.728 ( 8.079 -7.043 -8.627) 13.758 3.042 ( 4.269 -0.606 11.961) 12.714 3.095 ( 4.757 1.942 0.602) 5.173 3.303 ( 3.402 3.988 -6.517) 8.364 3.534 ( -3.911 -0.445 8.821) 9.660 3.797 ( -4.472 -0.766 -2.916) 5.393 3.954 ( -6.535 1.847 3.187) 7.502 4.396 ( -2.491 -3.206 4.185) 5.831 4.502 ( -1.884 3.918 -5.606) 7.094 4.776 ( 0.602 -0.495 -7.477) 7.517 5.118 ( 0.213 4.863 -0.938) 4.957 5.311 ( -3.671 12.141 14.305) 19.118 5.372 ( 1.837 -0.260 -3.516) 3.975 5.650 ( 3.697 -5.517 -2.389) 7.057 5.906 ( -2.904 -0.842 6.119) 6.826 5.976 ( 1.051 0.465 -9.649) 9.718 6.266 ( 3.138 -2.903 4.403) 6.137 6.350 ( -2.139 -1.989 -1.903) 3.486 6.419 ( -1.271 -1.860 -0.640) 2.342 6.569 ( 0.985 -7.694 -1.710) 7.943 6.699 ( 2.770 1.179 -1.655) 3.435 7.241 ( -0.363 0.071 -1.628) 1.669 7.274 ( 1.727 1.363 0.921) 2.385 7.548 ( 2.870 -1.192 -0.799) 3.209 7.706 ( 1.112 0.282 -2.805) 3.031 7.838 ( 3.878 -1.418 -4.995) 6.481 8.023 ( 9.169 -2.647 11.037) 14.591 8.114 ( -3.118 -4.681 -0.229) 5.629 8.234 ( -1.363 1.515 3.081) 3.694 8.440 ( -6.171 -0.495 2.797) 6.794 8.728 ( -2.018 -0.309 -1.001) 2.274 8.925 ( 4.409 -2.710 -10.127) 11.373 9.126 ( 1.747 0.002 -0.291) 1.771 9.191 ( 10.969 -2.826 1.347) 11.407 10.052 ( 0.895 6.174 9.855) 11.663 10.533 ( 1.714 -0.474 8.810) 8.987 10.631 ( -2.471 -3.122 -7.643) 8.618 10.997 ( 0.671 1.280 -2.920) 3.258 11.608 ( 2.469 -2.860 3.349) 5.048 11.721 ( -2.806 -4.730 -1.042) 5.598 12.138 ( -1.889 11.687 -0.621) 11.855 12.452 ( 5.692 1.082 -0.822) 5.852 12.653 ( 4.482 3.709 6.404) 8.652 12.925 ( -1.684 6.845 -5.648) 9.033 13.335 ( 1.153 1.355 1.998) 2.676 13.538 ( -2.359 0.496 -2.697) 3.617 13.724 ( -3.270 1.103 7.224) 8.006 14.027 ( -0.891 -2.170 -3.919) 4.567 14.325 ( 0.047 -3.947 3.519) 5.288 14.530 ( -3.330 -4.479 -3.194) 6.431 15.155 ( 9.549 -0.031 2.256) 9.812 15.525 ( 10.660 -3.386 5.872) 12.633 15.904 ( -7.447 4.757 -3.267) 9.421 16.221 ( 28.367 -7.163 2.033) 29.328 16.548 ( 0.132 -10.482 1.961) 10.664 17.484 ( 12.140 -1.778 -2.520) 12.526 17.638 ( 1.376 5.410 8.899) 10.505 17.858 ( -7.052 -1.446 -8.555) 11.181 18.107 ( 2.681 -4.238 3.767) 6.272 18.436 ( -9.230 3.059 -2.514) 10.044 18.932 ( 0.499 -1.164 -2.072) 2.429 19.551 ( 9.881 3.182 -6.321) 12.154 19.850 ( 0.136 -1.451 2.700) 3.068 20.162 ( 9.444 0.502 -8.795) 12.915 20.334 ( -5.634 -3.896 7.180) 9.923 20.665 ( 0.935 -2.144 -0.490) 2.390 20.745 ( -0.887 3.180 10.330) 10.845 21.303 ( -0.422 7.821 -5.396) 9.511 ======================= Grid point 109 (36/172) ======================= q-point: ( 0.40 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 1.523 -6.262 0.860) 6.501 2.235 ( 8.340 -7.637 13.385) 17.522 2.467 ( -0.618 -6.213 -11.216) 12.837 2.636 ( 4.326 -2.462 -1.915) 5.334 2.841 ( 0.024 -4.446 -4.654) 6.436 3.051 ( 4.140 1.306 -10.151) 11.041 3.110 ( 2.999 7.721 8.989) 12.224 3.283 ( 4.626 -3.619 2.899) 6.550 3.490 ( -9.089 2.461 2.787) 9.820 3.731 ( -4.044 3.520 6.161) 8.167 3.951 ( -0.229 -3.441 -3.515) 4.924 4.421 ( 4.296 3.179 -2.237) 5.794 4.478 ( -4.687 -4.367 5.033) 8.147 4.753 ( 0.721 1.925 -2.851) 3.515 5.035 ( -0.795 3.733 0.940) 3.931 5.151 ( -1.763 8.210 12.162) 14.779 5.401 ( 1.295 -2.457 -1.648) 3.230 5.745 ( 2.543 -0.030 -5.589) 6.140 5.906 ( -0.750 -3.126 0.736) 3.298 5.980 ( -3.363 -4.113 -4.910) 7.234 6.281 ( -1.745 0.026 -1.387) 2.229 6.383 ( -0.945 1.947 -3.980) 4.530 6.410 ( 2.965 -1.843 -4.068) 5.360 6.600 ( -1.659 -1.915 4.681) 5.323 6.859 ( 8.102 -5.357 7.168) 12.071 7.201 ( 2.950 2.700 -4.654) 6.136 7.304 ( -0.758 -2.614 2.571) 3.744 7.566 ( -1.053 -0.550 0.158) 1.199 7.683 ( -0.834 -0.172 -7.746) 7.793 7.880 ( 3.288 -1.790 -4.271) 5.679 8.071 ( -10.846 -0.380 6.104) 12.451 8.215 ( 7.899 -1.248 2.373) 8.342 8.248 ( 5.266 -0.405 0.832) 5.346 8.383 ( -7.534 0.601 1.515) 7.708 8.725 ( -0.257 -0.535 0.907) 1.084 8.954 ( 1.447 -1.810 -6.234) 6.651 9.132 ( 1.190 0.052 0.581) 1.325 9.346 ( 8.840 -3.673 3.308) 10.128 9.968 ( -2.117 6.088 5.891) 8.732 10.541 ( -5.697 1.420 1.522) 6.066 10.652 ( 5.316 -1.585 -0.468) 5.567 10.980 ( 1.443 0.571 -1.809) 2.383 11.688 ( 0.664 -1.689 2.845) 3.375 11.789 ( -1.870 -5.483 -1.182) 5.913 11.948 ( -0.069 7.890 2.433) 8.257 12.474 ( 3.732 0.370 -0.278) 3.760 12.660 ( 2.853 1.952 5.188) 6.234 12.784 ( -3.253 2.761 -9.666) 10.566 13.320 ( -0.494 0.363 -0.596) 0.855 13.513 ( -0.350 0.379 -2.825) 2.872 13.705 ( -2.772 1.423 4.888) 5.797 14.031 ( 0.765 -0.369 -2.524) 2.664 14.377 ( -0.464 -0.636 4.233) 4.306 14.616 ( -1.394 -8.039 -4.376) 9.259 15.208 ( 6.815 3.535 4.074) 8.691 15.640 ( 6.025 -0.179 1.545) 6.223 15.752 ( -2.842 5.129 0.721) 5.908 16.585 ( 11.553 -9.207 -2.054) 14.915 16.780 ( 17.652 -10.082 0.872) 20.346 17.467 ( -9.423 5.973 -3.339) 11.646 17.593 ( -0.235 0.171 2.641) 2.657 17.855 ( 1.317 -0.870 2.549) 2.998 18.175 ( -1.510 -1.216 0.838) 2.112 18.322 ( -2.574 2.071 0.570) 3.352 18.940 ( 0.085 -0.862 -3.968) 4.062 19.565 ( 7.963 0.459 -7.444) 10.911 19.892 ( 0.002 -0.901 5.353) 5.429 20.169 ( 2.712 0.419 -5.609) 6.244 20.382 ( -2.435 -2.155 3.458) 4.747 20.707 ( -0.795 4.220 7.805) 8.908 20.745 ( 0.713 -6.161 -0.251) 6.207 21.148 ( -0.724 6.704 -4.128) 7.906 ======================= Grid point 110 (37/172) ======================= q-point: (-0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 0.728 -0.295 -0.232) 0.819 2.268 ( -2.847 8.791 -0.470) 9.253 2.529 ( -4.302 -9.223 -6.121) 11.876 2.721 ( 11.685 3.974 -2.181) 12.533 2.786 ( -6.824 4.719 -2.719) 8.730 3.016 ( 1.836 2.854 -1.808) 3.845 3.074 ( -1.257 -2.572 1.144) 3.082 3.381 ( -2.629 0.259 9.406) 9.770 3.442 ( 2.226 -3.522 -5.203) 6.666 3.704 ( -0.228 0.075 8.302) 8.305 3.965 ( -0.397 0.577 -4.961) 5.011 4.406 ( 5.083 2.324 -0.880) 5.658 4.523 ( -5.219 -3.047 5.413) 8.114 4.716 ( 0.689 1.103 0.977) 1.627 4.986 ( -0.034 2.586 2.133) 3.352 5.099 ( 0.963 1.918 6.776) 7.108 5.456 ( -0.771 -3.675 0.248) 3.763 5.666 ( 0.529 3.589 -12.874) 13.375 5.866 ( -8.117 2.095 -1.904) 8.596 6.090 ( 1.567 -5.562 0.923) 5.852 6.243 ( -4.435 -0.149 -5.165) 6.809 6.378 ( 3.934 0.288 1.507) 4.223 6.435 ( 2.357 -2.207 -2.664) 4.186 6.652 ( -0.170 -1.816 5.543) 5.836 6.981 ( 4.707 1.711 7.905) 9.358 7.162 ( 4.514 2.670 -4.160) 6.695 7.355 ( -0.728 -1.485 2.938) 3.372 7.574 ( -3.811 -1.848 -2.177) 4.762 7.651 ( -2.169 -3.191 -7.778) 8.682 7.902 ( 1.812 0.202 -5.151) 5.464 7.984 ( -12.311 0.905 3.305) 12.779 8.205 ( -5.303 -0.011 -2.616) 5.914 8.273 ( -1.126 1.721 -1.916) 2.811 8.393 ( 8.802 2.191 7.608) 11.839 8.744 ( 0.582 -0.973 1.787) 2.116 8.972 ( 1.542 -1.324 -3.708) 4.228 9.149 ( 1.624 -0.198 0.543) 1.724 9.472 ( 0.854 -3.418 6.927) 7.772 9.860 ( -4.427 4.570 2.254) 6.749 10.445 ( -5.713 2.775 -3.652) 7.326 10.743 ( 7.889 -0.943 4.644) 9.203 10.977 ( -0.231 -0.325 -1.674) 1.721 11.670 ( -2.523 2.322 0.231) 3.436 11.818 ( -0.031 -0.081 -1.862) 1.864 11.951 ( 1.588 -3.088 6.915) 7.738 12.498 ( 1.971 -0.469 0.107) 2.029 12.643 ( -2.931 0.593 -1.736) 3.458 12.736 ( -1.099 -2.617 -4.783) 5.562 13.317 ( 0.044 -0.504 -0.963) 1.088 13.488 ( 0.385 1.158 -3.018) 3.255 13.668 ( -2.082 1.802 2.149) 3.493 14.043 ( 3.116 0.090 -0.999) 3.274 14.378 ( -1.967 1.114 3.560) 4.217 14.719 ( -0.750 -5.768 -4.213) 7.182 15.172 ( 2.104 6.220 5.245) 8.404 15.598 ( -1.277 4.122 -4.661) 6.351 15.745 ( 8.979 2.129 4.674) 10.345 16.693 ( -4.108 -2.859 -1.028) 5.110 17.132 ( 20.106 -8.201 -2.555) 21.864 17.179 ( -23.522 10.138 -1.496) 25.658 17.580 ( -1.857 -0.537 -0.874) 2.121 17.915 ( 3.430 -1.924 7.535) 8.500 18.164 ( -1.818 0.375 -1.900) 2.656 18.325 ( 6.740 0.961 3.360) 7.592 18.930 ( -2.021 -0.923 -5.336) 5.780 19.595 ( 4.399 -1.411 -8.255) 9.460 19.899 ( -2.885 1.924 6.352) 7.237 20.167 ( -1.689 -1.676 -3.303) 4.071 20.396 ( 1.044 0.413 1.535) 1.902 20.654 ( -1.075 3.735 5.498) 6.733 20.847 ( -0.399 -2.060 1.078) 2.359 21.063 ( -1.384 -2.440 -3.092) 4.175 ======================= Grid point 111 (38/172) ======================= q-point: (-0.40 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( -0.245 6.747 -1.264) 6.869 2.000 ( -9.986 13.405 -5.693) 17.658 2.465 ( -3.077 13.556 -4.290) 14.548 2.650 ( -9.524 -5.661 -0.127) 11.080 2.722 ( 4.755 6.936 -3.222) 9.005 3.007 ( 1.296 -0.015 1.811) 2.227 3.112 ( -0.821 -1.156 2.854) 3.187 3.391 ( 2.853 3.153 6.339) 7.632 3.437 ( -5.584 -0.180 -3.042) 6.362 3.784 ( -1.276 -2.652 -0.488) 2.983 3.928 ( 4.685 -0.645 -0.844) 4.804 4.397 ( 4.134 3.518 1.406) 5.607 4.560 ( -3.984 -3.686 3.910) 6.689 4.759 ( 3.390 -4.040 -2.179) 5.706 4.960 ( -1.722 -0.072 3.557) 3.953 5.140 ( 3.269 -1.521 4.152) 5.499 5.520 ( -2.477 -4.779 1.420) 5.567 5.566 ( 0.921 2.366 -11.446) 11.724 5.760 ( -5.310 2.757 0.230) 5.988 6.123 ( 2.187 2.480 -2.436) 4.107 6.187 ( -3.957 1.651 -1.906) 4.692 6.398 ( 0.717 -0.887 3.637) 3.812 6.496 ( -1.194 -1.586 0.385) 2.022 6.720 ( 0.753 -3.359 2.843) 4.465 6.930 ( 4.379 8.322 0.451) 9.415 7.175 ( 2.123 -0.245 4.496) 4.978 7.362 ( -3.836 -1.053 0.631) 4.027 7.513 ( -2.136 0.289 -12.035) 12.226 7.710 ( -7.553 -3.920 0.797) 8.546 7.817 ( -4.747 2.470 -4.221) 6.815 7.927 ( -1.679 -0.007 -2.597) 3.093 8.159 ( -2.949 0.918 -0.128) 3.092 8.204 ( -3.896 2.496 0.548) 4.659 8.418 ( 5.995 4.759 5.462) 9.403 8.787 ( -0.085 -2.468 2.199) 3.307 8.999 ( 3.404 -1.062 -3.029) 4.678 9.161 ( 0.661 0.245 0.095) 0.712 9.514 ( -10.092 -1.939 5.715) 11.759 9.775 ( -5.064 1.541 4.338) 6.844 10.344 ( -1.794 2.895 -4.887) 5.956 10.826 ( 5.625 0.871 5.192) 7.704 10.979 ( 0.082 -1.380 -2.229) 2.623 11.626 ( 0.159 1.547 2.624) 3.051 11.808 ( -1.305 0.632 2.109) 2.559 12.032 ( -1.532 -3.428 0.675) 3.815 12.524 ( -0.424 -1.592 0.691) 1.787 12.618 ( -5.215 -3.707 -7.457) 9.826 12.781 ( -0.660 -3.844 0.691) 3.961 13.320 ( -0.474 0.268 0.292) 0.618 13.458 ( 1.128 1.247 -2.891) 3.344 13.639 ( -0.361 0.860 0.627) 1.124 14.063 ( 4.448 0.846 -1.172) 4.677 14.338 ( -3.197 2.211 2.311) 4.523 14.747 ( 0.045 1.204 -1.570) 1.979 15.096 ( -2.270 3.607 3.492) 5.509 15.480 ( -0.692 6.494 -3.824) 7.568 15.806 ( 10.659 1.559 1.459) 10.871 16.641 ( -8.245 3.142 0.342) 8.830 16.741 ( -28.832 13.182 -0.675) 31.710 17.302 ( 3.680 -2.997 -5.203) 7.043 17.600 ( -1.668 -2.065 0.334) 2.675 18.036 ( 4.813 -0.345 5.192) 7.089 18.130 ( 1.255 -2.060 2.336) 3.358 18.416 ( 12.856 0.259 4.156) 13.513 18.898 ( -4.490 -1.195 -6.328) 7.851 19.609 ( -0.177 -1.906 -9.371) 9.564 19.839 ( -5.399 3.084 6.023) 8.657 20.138 ( -5.214 1.043 -3.651) 6.451 20.427 ( 5.532 -0.618 1.865) 5.871 20.606 ( -2.026 2.228 3.426) 4.562 20.801 ( -4.245 3.203 2.698) 5.964 21.195 ( -0.768 -11.588 -1.879) 11.765 ======================= Grid point 112 (39/172) ======================= q-point: (-0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -0.017 12.795 0.383) 12.800 1.596 ( -14.957 18.098 -4.938) 23.992 2.153 ( -2.091 19.769 3.757) 20.231 2.469 ( -12.110 12.331 -3.837) 17.704 2.719 ( -6.430 -6.905 -2.398) 9.735 3.013 ( -0.744 2.424 3.081) 3.991 3.116 ( -4.176 -2.112 -2.801) 5.454 3.261 ( -1.876 9.441 1.499) 9.742 3.503 ( 5.419 -4.207 5.388) 8.724 3.742 ( -0.562 1.303 -5.258) 5.446 4.059 ( 5.742 -4.839 0.438) 7.522 4.361 ( 3.354 4.769 5.140) 7.772 4.622 ( -0.313 -3.951 -0.281) 3.973 4.863 ( 6.631 -5.128 -7.798) 11.449 5.028 ( -4.239 -8.447 4.260) 10.367 5.214 ( 4.626 -1.299 2.392) 5.367 5.505 ( 2.767 2.571 -5.905) 7.010 5.587 ( -5.455 -5.209 -0.889) 7.594 5.690 ( -3.486 2.024 5.736) 7.010 6.066 ( 2.143 3.942 -2.848) 5.314 6.102 ( 0.331 4.976 -1.569) 5.228 6.432 ( -1.014 0.622 6.868) 6.971 6.498 ( -2.138 -1.398 2.320) 3.451 6.699 ( -2.492 7.085 6.154) 9.710 6.866 ( 2.835 0.445 -9.008) 9.454 7.203 ( -2.403 -0.317 6.005) 6.476 7.338 ( -6.983 -3.118 -8.470) 11.412 7.493 ( 1.668 -0.910 -2.032) 2.782 7.572 ( -9.961 4.923 -2.652) 11.423 7.804 ( 0.131 -0.183 -5.961) 5.966 7.892 ( -1.959 1.389 -2.937) 3.794 8.108 ( 2.403 3.783 -1.860) 4.852 8.165 ( -3.997 -0.583 5.910) 7.158 8.392 ( 2.243 4.046 6.329) 7.839 8.829 ( -4.206 -3.499 -0.021) 5.471 9.036 ( 4.806 -0.414 -2.967) 5.664 9.147 ( -1.699 0.818 -0.143) 1.891 9.422 ( -18.285 -0.921 -3.070) 18.563 9.767 ( -6.303 -1.502 13.648) 15.108 10.287 ( 3.174 2.022 -3.633) 5.230 10.829 ( -1.221 2.149 3.263) 4.093 11.018 ( 4.828 -0.694 -0.519) 4.905 11.635 ( 1.932 0.465 4.066) 4.525 11.804 ( -2.833 -0.718 6.872) 7.468 12.045 ( -7.475 -3.118 -4.274) 9.158 12.544 ( -4.018 -2.527 -1.656) 5.027 12.615 ( -3.631 -3.860 -11.127) 12.325 12.867 ( -0.655 -5.065 5.975) 7.860 13.293 ( -2.499 1.374 -0.305) 2.868 13.446 ( 2.653 1.639 1.234) 3.353 13.637 ( 0.459 -0.361 0.400) 0.708 14.066 ( 3.883 2.095 -2.490) 5.066 14.275 ( -2.964 2.771 1.426) 4.301 14.690 ( 3.307 5.354 1.260) 6.418 15.035 ( -6.320 0.735 0.859) 6.420 15.330 ( -1.748 7.670 -2.530) 8.263 15.844 ( 4.310 3.537 -4.312) 7.048 16.275 ( -21.454 11.252 4.670) 24.671 16.510 ( -6.615 6.255 -0.327) 9.110 17.325 ( -2.550 -2.388 -5.304) 6.351 17.580 ( -9.778 -0.343 2.034) 9.994 17.980 ( -0.677 3.870 -1.699) 4.280 18.331 ( 10.364 -6.069 10.667) 16.064 18.528 ( 12.540 1.032 3.724) 13.122 18.855 ( -5.263 -1.771 -7.508) 9.338 19.564 ( -6.140 -0.037 -12.237) 13.691 19.775 ( -3.184 2.247 4.714) 6.116 20.028 ( -3.425 4.776 -3.442) 6.811 20.510 ( 5.577 -2.191 1.540) 6.186 20.573 ( -4.536 -0.169 3.117) 5.507 20.737 ( -7.731 -0.146 5.323) 9.388 21.389 ( -0.903 -11.415 -1.710) 11.578 ======================= Grid point 113 (40/172) ======================= q-point: (-0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( -0.109 18.179 7.612) 19.709 1.110 ( -14.993 21.405 3.830) 26.412 1.693 ( -14.765 28.883 13.683) 35.206 2.170 ( -8.284 6.119 -10.037) 14.381 2.769 ( -6.817 -3.712 -11.158) 13.592 2.925 ( -2.125 3.412 6.868) 7.957 3.073 ( -3.316 3.207 -0.256) 4.620 3.181 ( -1.749 -0.710 5.488) 5.803 3.616 ( 2.826 -1.527 -5.700) 6.543 3.735 ( 6.409 1.233 8.362) 10.607 4.137 ( 1.529 -2.169 -7.588) 8.038 4.356 ( 5.983 2.677 7.749) 10.149 4.670 ( 4.065 -0.605 -3.670) 5.509 4.998 ( 4.838 -8.309 -8.903) 13.104 5.174 ( -4.837 -9.961 0.908) 11.110 5.275 ( 5.895 -0.086 1.493) 6.082 5.470 ( 4.583 3.077 -2.024) 5.880 5.544 ( -8.577 0.576 -6.200) 10.599 5.708 ( -2.917 -1.247 11.193) 11.634 6.018 ( 1.482 3.938 -0.156) 4.211 6.023 ( 3.357 2.807 -0.611) 4.419 6.388 ( 2.190 8.515 7.238) 11.388 6.525 ( -4.991 -2.329 6.328) 8.389 6.632 ( 3.332 0.797 5.893) 6.817 6.809 ( -3.754 1.167 -9.032) 9.850 7.183 ( -6.964 1.465 4.030) 8.178 7.283 ( -7.684 -2.675 -16.525) 18.420 7.401 ( -4.179 4.403 2.031) 6.402 7.568 ( 5.907 -0.722 0.916) 6.022 7.742 ( 1.529 3.143 -10.060) 10.650 7.832 ( -3.134 2.219 0.410) 3.861 8.060 ( 0.313 2.624 1.159) 2.885 8.196 ( 1.805 -1.316 3.241) 3.936 8.366 ( -0.159 2.929 6.433) 7.070 8.840 ( -9.297 -4.684 -4.018) 11.159 9.050 ( 0.695 0.640 -2.192) 2.387 9.111 ( -4.343 0.080 -0.348) 4.357 9.253 ( -19.297 -0.520 -9.278) 21.418 9.835 ( -6.034 -4.726 18.652) 20.165 10.301 ( 5.431 -0.259 1.638) 5.679 10.783 ( -3.044 1.948 2.919) 4.645 11.054 ( 5.206 1.305 0.295) 5.375 11.650 ( 1.223 0.853 1.294) 1.974 11.882 ( -5.773 -7.927 17.416) 19.986 11.984 ( -13.597 -1.990 -6.814) 15.339 12.527 ( -4.771 -2.879 -10.562) 11.942 12.606 ( -1.132 -0.979 -4.825) 5.052 12.999 ( -0.192 -6.870 10.365) 12.437 13.245 ( -2.124 1.141 -0.568) 2.477 13.442 ( 3.133 3.766 8.900) 10.159 13.664 ( -0.233 -2.463 0.363) 2.501 14.030 ( 1.805 2.984 -2.553) 4.322 14.199 ( -2.354 4.509 2.585) 5.706 14.675 ( 9.498 1.577 0.267) 9.631 14.972 ( -7.338 0.086 0.144) 7.340 15.169 ( -5.210 6.648 -0.483) 8.460 15.602 ( -10.341 13.485 -4.753) 17.646 16.178 ( -4.026 -4.991 4.637) 7.913 16.348 ( 3.999 10.021 1.513) 10.895 17.304 ( -8.323 -2.194 -6.470) 10.768 17.494 ( -13.593 -0.647 3.460) 14.042 17.916 ( 0.789 2.907 -0.433) 3.044 18.522 ( 5.790 -3.037 6.864) 9.479 18.595 ( 7.412 2.569 4.361) 8.976 18.810 ( -3.494 -0.446 -12.643) 13.125 19.405 ( -4.605 6.123 -13.887) 15.861 19.747 ( 0.019 1.389 2.722) 3.056 19.923 ( -0.743 3.610 -1.495) 3.977 20.562 ( -3.713 -2.766 1.025) 4.742 20.603 ( 2.355 -2.452 2.398) 4.160 20.742 ( -14.416 -7.484 12.216) 20.324 21.556 ( -0.934 -9.051 -2.726) 9.499 ======================= Grid point 114 (41/172) ======================= q-point: (-0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -8.489 18.306 18.969) 27.695 0.790 ( -11.623 16.571 22.663) 30.386 1.131 ( -12.414 26.253 35.178) 45.616 2.047 ( 3.626 1.312 -11.956) 12.562 2.610 ( -5.264 4.722 -17.159) 18.559 2.946 ( -3.510 3.747 0.360) 5.147 3.037 ( -2.323 -5.376 8.671) 10.464 3.214 ( 0.045 0.030 7.012) 7.012 3.580 ( 1.951 2.594 -5.350) 6.258 3.829 ( 5.137 -0.259 12.322) 13.352 4.116 ( -2.471 -0.634 -11.567) 11.845 4.395 ( 7.277 2.773 2.436) 8.159 4.711 ( 9.882 -0.669 -0.454) 9.915 5.123 ( -2.019 -8.121 -12.470) 15.018 5.272 ( -1.536 -3.079 -1.078) 3.606 5.335 ( 5.430 -0.156 2.674) 6.054 5.429 ( 0.750 2.296 -5.089) 5.633 5.464 ( 1.806 2.002 -2.941) 3.990 5.722 ( -4.464 0.870 7.922) 9.135 6.004 ( 1.345 0.458 3.835) 4.090 6.015 ( 0.372 1.049 4.817) 4.944 6.352 ( 14.829 1.456 10.131) 18.018 6.538 ( -7.017 -2.319 2.046) 7.669 6.659 ( -5.686 -2.465 -1.820) 6.459 6.814 ( 15.663 0.773 11.070) 19.196 7.069 ( -9.452 2.260 -3.410) 10.300 7.201 ( -2.032 1.830 -15.416) 15.657 7.300 ( 4.891 7.842 -1.779) 9.412 7.608 ( 1.524 0.068 0.701) 1.679 7.674 ( 0.480 3.319 -0.126) 3.356 7.775 ( -2.147 1.813 1.645) 3.256 8.031 ( -1.276 1.041 1.463) 2.203 8.251 ( 3.538 -0.834 2.276) 4.289 8.332 ( -1.439 2.645 5.134) 5.952 8.790 ( -22.636 -5.898 -10.472) 25.628 9.020 ( -5.420 -0.526 0.363) 5.457 9.044 ( -11.426 -0.212 -7.798) 13.835 9.111 ( -0.846 2.117 -1.942) 2.995 9.966 ( -1.855 -5.629 10.134) 11.740 10.390 ( 1.067 -3.487 7.699) 8.519 10.735 ( -5.670 0.705 -2.597) 6.276 11.062 ( 2.921 1.539 -0.146) 3.305 11.638 ( -0.482 0.579 -1.347) 1.543 11.819 ( -24.316 -2.163 -8.825) 25.958 12.196 ( 8.548 -12.835 18.571) 24.139 12.549 ( -1.540 -5.795 0.489) 6.016 12.613 ( 1.728 -4.074 4.946) 6.637 13.178 ( -0.604 -5.105 2.796) 5.852 13.247 ( 1.457 -2.680 5.232) 6.056 13.532 ( 12.621 -8.315 26.338) 30.367 13.720 ( -1.425 -4.831 2.599) 5.668 14.003 ( 0.832 1.069 0.397) 1.412 14.151 ( 1.143 -4.332 13.370) 14.101 14.806 ( 22.547 -2.902 -0.155) 22.733 14.927 ( -6.250 -1.544 0.524) 6.459 15.003 ( -9.098 5.088 -0.559) 10.439 15.368 ( 7.823 8.299 9.591) 14.902 16.183 ( -17.340 -3.923 -0.844) 17.799 16.344 ( 21.278 4.747 6.990) 22.894 17.156 ( -26.679 1.445 -13.455) 29.915 17.470 ( -6.670 -5.192 6.276) 10.528 17.885 ( 1.260 1.617 0.906) 2.241 18.451 ( -12.496 14.970 -26.156) 32.625 18.615 ( 8.842 6.920 4.103) 11.954 18.651 ( -2.566 3.090 -5.923) 7.156 19.291 ( 17.116 5.232 -0.049) 17.898 19.739 ( 1.367 1.275 1.264) 2.256 19.876 ( -0.450 1.066 -0.738) 1.372 20.598 ( -1.470 -2.555 1.763) 3.434 20.655 ( 2.045 -0.916 -0.150) 2.246 20.932 ( -27.344 -27.823 21.096) 44.349 21.647 ( -3.582 -3.535 -6.880) 8.524 ======================= Grid point 116 (42/172) ======================= q-point: ( 0.10 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 29.119 0.000 11.386) 31.266 0.884 ( 12.955 0.000 26.652) 29.634 1.995 ( 26.142 0.000 51.215) 57.501 2.287 ( 3.015 0.000 -18.946) 19.184 2.295 ( 22.442 0.000 -9.789) 24.484 2.780 ( -3.451 -0.000 3.860) 5.177 3.194 ( -4.834 -0.000 7.788) 9.167 3.242 ( 6.707 0.000 -0.775) 6.751 3.590 ( -2.778 -0.000 3.271) 4.291 3.834 ( -7.398 -0.000 -13.161) 15.098 4.026 ( -2.205 -0.000 11.095) 11.312 4.411 ( -6.957 -0.000 0.457) 6.972 4.702 ( -9.226 -0.000 -8.222) 12.358 4.892 ( 1.093 0.000 -21.402) 21.430 5.303 ( 0.548 0.000 0.588) 0.804 5.395 ( -1.358 -0.000 -7.372) 7.496 5.448 ( 4.630 0.000 1.038) 4.745 5.671 ( 11.300 0.000 3.352) 11.787 5.789 ( 3.568 0.000 12.564) 13.061 5.956 ( -1.833 -0.000 0.367) 1.869 6.107 ( -3.959 -0.000 8.035) 8.957 6.263 ( -3.021 -0.000 -5.359) 6.152 6.317 ( -2.072 -0.000 -7.013) 7.313 6.563 ( -10.305 -0.000 -5.682) 11.768 6.946 ( 9.246 0.000 -0.794) 9.280 7.117 ( -7.019 -0.000 0.014) 7.019 7.401 ( -15.772 -0.000 7.661) 17.534 7.437 ( 18.955 0.000 8.688) 20.851 7.696 ( 5.361 0.000 3.904) 6.632 7.785 ( 11.628 0.000 -19.646) 22.829 7.810 ( 1.890 0.000 7.126) 7.372 7.954 ( -0.507 -0.000 -5.750) 5.772 8.318 ( -3.917 -0.000 4.543) 5.999 8.434 ( -1.706 -0.000 2.820) 3.296 8.641 ( 13.891 0.000 -2.024) 14.038 8.874 ( -1.069 -0.000 -11.163) 11.214 9.025 ( 11.922 0.000 -2.906) 12.271 9.115 ( 0.398 0.000 1.183) 1.248 10.195 ( 10.805 0.000 5.124) 11.959 10.414 ( -7.075 -0.000 0.532) 7.095 10.474 ( -1.225 -0.000 9.796) 9.872 11.029 ( 0.818 0.000 -3.121) 3.227 11.574 ( -1.754 -0.000 -3.115) 3.575 11.580 ( -1.582 -0.000 -2.824) 3.237 12.450 ( 8.647 0.000 -4.801) 9.890 12.495 ( -1.740 -0.000 -4.629) 4.946 12.932 ( 0.957 0.000 10.234) 10.278 13.262 ( 3.205 0.000 0.310) 3.220 13.329 ( 1.188 0.000 4.894) 5.036 13.699 ( 1.136 0.000 -5.224) 5.346 13.880 ( -6.932 -0.000 -0.860) 6.985 13.926 ( 2.697 0.000 0.820) 2.819 14.467 ( -40.845 -0.000 1.038) 40.859 14.487 ( -2.285 -0.000 -3.520) 4.196 15.080 ( 17.766 0.000 -0.335) 17.769 15.081 ( 16.753 0.000 1.943) 16.865 15.882 ( -11.497 -0.000 -0.289) 11.501 15.924 ( -7.081 -0.000 20.790) 21.963 16.751 ( 16.053 0.000 5.816) 17.074 17.205 ( 20.418 0.000 -7.324) 21.692 17.724 ( 3.376 0.000 -7.415) 8.147 17.773 ( 14.047 0.000 -13.845) 19.723 18.248 ( 10.524 0.000 0.225) 10.526 18.478 ( -3.046 -0.000 -8.243) 8.787 18.727 ( 2.014 0.000 9.330) 9.545 19.769 ( 1.740 0.000 1.825) 2.522 19.811 ( 1.360 0.000 -6.223) 6.370 20.015 ( 28.753 0.000 -23.873) 37.372 20.443 ( -20.881 -0.000 6.369) 21.830 20.656 ( -2.791 -0.000 0.568) 2.848 20.826 ( -6.715 -0.000 14.315) 15.812 21.504 ( 0.778 0.000 0.933) 1.215 ======================= Grid point 117 (43/172) ======================= q-point: ( 0.20 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 24.157 -1.862 13.475) 27.724 1.284 ( 19.685 -13.702 15.035) 28.308 2.228 ( 9.514 -0.567 -16.966) 19.460 2.390 ( 13.407 -1.123 21.632) 25.474 2.501 ( 20.717 -5.264 1.801) 21.451 2.869 ( 0.937 -7.829 11.710) 14.117 3.147 ( -2.781 2.543 3.232) 4.965 3.327 ( 9.805 -1.457 -1.232) 9.989 3.574 ( -3.509 0.773 5.755) 6.785 3.730 ( -7.617 -1.203 -11.380) 13.747 4.030 ( -5.282 1.147 10.273) 11.608 4.341 ( -9.857 -0.111 -0.121) 9.858 4.576 ( -9.862 0.582 -8.742) 13.191 4.805 ( 3.969 2.341 -19.601) 20.135 5.275 ( -1.034 2.834 1.865) 3.547 5.364 ( -1.275 -0.407 -7.348) 7.469 5.490 ( 2.181 -1.560 -1.412) 3.031 5.703 ( 7.977 6.611 8.233) 13.233 5.893 ( 3.789 -0.595 6.297) 7.373 5.977 ( -2.116 -2.451 -0.996) 3.387 6.110 ( -3.185 -2.498 6.656) 7.790 6.265 ( 2.814 -2.964 -1.404) 4.322 6.312 ( 0.454 -3.061 -5.282) 6.122 6.450 ( -4.004 3.154 -2.726) 5.780 6.891 ( -0.744 8.157 -1.097) 8.264 7.139 ( 1.529 -4.226 -1.488) 4.734 7.318 ( -11.945 -0.958 4.157) 12.684 7.576 ( 13.600 1.650 0.128) 13.700 7.731 ( 5.242 1.511 -3.046) 6.248 7.799 ( 1.237 -1.263 -5.149) 5.444 7.904 ( 5.848 -2.314 11.654) 13.242 7.969 ( 3.840 -3.301 -3.783) 6.321 8.285 ( -4.571 1.134 2.851) 5.506 8.443 ( -0.097 -0.031 1.596) 1.599 8.700 ( 0.112 -0.911 0.235) 0.948 8.836 ( 1.333 -1.443 -12.466) 12.619 9.124 ( 2.425 -0.142 0.076) 2.431 9.134 ( 14.799 -0.311 -3.446) 15.198 10.249 ( 5.223 4.585 7.424) 10.170 10.447 ( 0.671 -5.945 -2.892) 6.645 10.520 ( 0.733 -0.524 12.003) 12.036 11.023 ( 1.220 0.172 -3.689) 3.889 11.545 ( -0.015 -0.329 -1.089) 1.138 11.589 ( -2.118 -2.557 -2.655) 4.251 12.439 ( -0.668 3.204 -5.587) 6.475 12.491 ( 6.435 1.096 -2.472) 6.981 12.916 ( 1.495 6.716 10.445) 12.507 13.208 ( -2.268 6.419 -2.456) 7.237 13.373 ( 3.929 -0.023 4.718) 6.140 13.638 ( -2.411 4.140 -3.693) 6.049 13.834 ( -4.643 -0.150 1.049) 4.763 13.925 ( -10.664 3.199 -1.169) 11.195 14.126 ( -8.297 -0.887 5.860) 10.196 14.487 ( -5.325 -1.607 -2.615) 6.147 15.186 ( 20.239 2.347 0.094) 20.375 15.349 ( 21.079 -5.981 3.058) 22.124 15.837 ( 1.115 -2.439 -1.137) 2.913 16.068 ( -4.276 -9.123 14.240) 17.444 16.677 ( 18.723 18.239 0.449) 26.142 17.365 ( 10.330 -4.197 -1.542) 11.256 17.763 ( 10.500 -0.533 -2.863) 10.897 17.878 ( 11.791 -3.665 -11.726) 17.028 18.096 ( -1.864 13.041 5.718) 14.361 18.507 ( -1.886 -2.323 -6.233) 6.914 18.822 ( 0.733 -3.995 4.121) 5.786 19.718 ( 2.988 5.572 -2.823) 6.924 19.809 ( -0.200 -0.710 -1.232) 1.436 20.100 ( 2.629 -2.263 -6.679) 7.526 20.322 ( 1.011 2.284 -3.435) 4.247 20.639 ( -2.771 -0.670 0.093) 2.852 20.839 ( 0.946 1.766 11.598) 11.769 21.495 ( -1.442 2.112 -1.988) 3.239 ======================= Grid point 118 (44/172) ======================= q-point: ( 0.30 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 23.278 -1.827 7.780) 24.612 1.737 ( 14.544 -15.244 11.547) 24.026 2.296 ( 11.277 -4.686 -12.895) 17.759 2.507 ( 1.392 -2.424 1.196) 3.041 2.712 ( 12.614 -1.703 -0.823) 12.755 3.072 ( 0.179 -2.432 9.661) 9.964 3.140 ( 6.096 -2.966 6.132) 9.141 3.392 ( 5.325 3.108 -1.549) 6.357 3.546 ( -4.807 1.685 3.243) 6.039 3.708 ( 0.182 -4.296 -1.801) 4.662 3.962 ( -9.254 3.685 5.882) 11.568 4.298 ( -7.418 -3.458 4.065) 9.138 4.472 ( -7.284 -0.714 -8.681) 11.354 4.744 ( 4.864 0.549 -13.851) 14.690 5.204 ( -2.811 4.289 1.864) 5.457 5.336 ( 0.009 0.013 -4.282) 4.282 5.531 ( -0.908 -1.211 1.302) 1.997 5.648 ( 6.861 8.493 9.988) 14.797 5.882 ( -5.463 0.928 0.330) 5.551 5.963 ( 0.614 1.299 -5.799) 5.975 6.217 ( 1.333 -6.518 5.112) 8.390 6.329 ( 1.001 0.133 -2.501) 2.697 6.388 ( -0.849 0.002 -2.928) 3.049 6.444 ( 6.145 -9.133 1.585) 11.122 6.751 ( -0.912 3.913 -0.582) 4.060 7.207 ( 2.498 -1.771 -1.639) 3.473 7.267 ( -7.618 -0.606 2.843) 8.153 7.619 ( 9.027 2.316 -4.849) 10.505 7.707 ( 0.792 1.055 -9.174) 9.269 7.819 ( -0.148 -1.317 1.546) 2.037 7.978 ( -3.497 -3.171 2.113) 5.172 8.145 ( 13.682 -3.291 9.391) 16.918 8.246 ( -1.139 0.533 0.909) 1.551 8.427 ( -1.808 1.488 0.397) 2.375 8.701 ( -2.660 -0.633 2.259) 3.547 8.850 ( 1.799 -3.393 -10.255) 10.951 9.131 ( -1.092 -0.290 1.496) 1.875 9.261 ( 15.378 -0.933 -3.608) 15.823 10.202 ( 0.335 5.905 6.281) 8.627 10.541 ( 2.133 -3.677 -3.664) 5.612 10.589 ( 3.065 0.104 11.780) 12.173 11.011 ( 1.292 0.684 -3.530) 3.821 11.589 ( 2.768 -2.904 2.625) 4.795 11.614 ( -2.677 -3.724 -2.152) 5.066 12.307 ( -0.881 8.830 -4.261) 9.843 12.498 ( 2.766 1.372 -0.701) 3.166 12.837 ( 2.904 7.869 9.469) 12.650 13.020 ( -4.103 8.450 -7.043) 11.741 13.397 ( 1.664 3.104 3.488) 4.957 13.522 ( -3.876 2.144 -2.443) 5.059 13.732 ( -6.244 1.527 4.497) 7.845 13.929 ( -1.939 -5.599 -4.403) 7.382 14.216 ( -1.313 -6.787 2.641) 7.400 14.470 ( -2.566 -1.233 0.214) 2.855 15.312 ( 21.507 3.044 -0.147) 21.722 15.583 ( 11.478 -2.873 3.999) 12.490 15.881 ( -1.354 -0.799 -0.383) 1.618 16.336 ( 18.140 -11.275 7.456) 22.622 16.567 ( 19.154 9.352 -3.563) 21.611 17.495 ( 5.321 -3.571 -1.066) 6.497 17.769 ( -2.531 5.995 -9.069) 11.162 17.867 ( 9.057 6.058 6.073) 12.475 18.085 ( 6.438 -4.207 4.722) 9.025 18.455 ( -2.648 3.565 -0.809) 4.514 18.877 ( -1.774 -2.432 -1.615) 3.416 19.646 ( 3.852 3.784 -4.536) 7.052 19.829 ( 0.555 -1.752 0.857) 2.027 20.133 ( -3.442 -4.332 -2.669) 6.143 20.309 ( 3.294 1.004 -2.856) 4.474 20.639 ( -0.513 -1.178 -1.207) 1.763 20.853 ( 1.802 3.320 10.533) 11.190 21.392 ( -2.009 5.899 -4.450) 7.658 ======================= Grid point 119 (45/172) ======================= q-point: ( 0.40 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( 22.318 0.858 3.000) 22.535 2.120 ( 6.713 -13.249 5.847) 15.962 2.425 ( 6.554 -1.286 -1.023) 6.757 2.568 ( 2.756 -6.504 -4.096) 8.166 2.793 ( 8.252 -1.278 -7.809) 11.433 3.083 ( 2.276 1.708 -3.970) 4.885 3.291 ( 4.832 -1.465 8.743) 10.096 3.302 ( 0.337 7.283 -0.208) 7.294 3.459 ( -9.669 0.906 3.021) 10.171 3.771 ( -3.185 2.235 6.004) 7.155 3.875 ( 0.075 -2.229 -3.372) 4.043 4.361 ( -5.898 -5.510 6.530) 10.382 4.423 ( -4.135 -2.044 -4.569) 6.493 4.746 ( 3.809 -1.001 -7.833) 8.767 5.110 ( -2.328 4.134 1.987) 5.144 5.324 ( -0.420 2.330 3.820) 4.494 5.432 ( -1.634 8.982 7.919) 12.086 5.719 ( 4.921 -2.262 1.742) 5.690 5.821 ( -2.253 -3.120 -5.056) 6.354 5.907 ( -4.551 1.326 -6.729) 8.231 6.285 ( -0.339 1.719 -2.819) 3.320 6.353 ( 0.925 -3.456 -3.997) 5.365 6.387 ( 2.111 -1.849 -1.603) 3.232 6.586 ( 1.427 -2.168 3.780) 4.585 6.836 ( 8.226 -7.472 6.341) 12.795 7.229 ( 1.721 0.877 -1.884) 2.698 7.246 ( -5.005 -2.323 4.666) 7.226 7.608 ( 4.904 2.817 -5.404) 7.822 7.639 ( -3.569 0.974 -10.266) 10.913 7.851 ( -0.179 -1.985 0.109) 1.996 7.986 ( -7.062 -1.238 2.494) 7.591 8.204 ( -0.505 -0.137 -3.606) 3.643 8.336 ( 6.340 1.492 0.848) 6.568 8.412 ( 7.230 -0.421 8.259) 10.984 8.710 ( -1.544 -1.020 2.838) 3.388 8.887 ( 0.554 -3.376 -6.478) 7.326 9.136 ( -0.595 -0.576 1.222) 1.476 9.377 ( 9.144 -1.617 -0.163) 9.287 10.101 ( -1.525 7.413 4.419) 8.764 10.543 ( -1.624 2.144 -1.308) 2.991 10.683 ( 6.550 -1.887 7.316) 10.000 10.994 ( 0.793 0.832 -2.570) 2.815 11.644 ( -3.765 -3.484 -0.387) 5.144 11.708 ( 5.235 -4.146 3.136) 7.377 12.114 ( -0.117 9.935 -0.597) 9.954 12.487 ( -1.449 0.182 -0.688) 1.614 12.776 ( 2.585 5.074 6.214) 8.429 12.812 ( -2.554 7.665 -10.149) 12.972 13.339 ( -1.338 2.484 0.982) 2.987 13.498 ( -0.092 -0.332 -2.079) 2.108 13.704 ( -4.070 0.016 2.933) 5.017 13.986 ( -0.371 -3.743 -2.918) 4.760 14.325 ( -1.778 -5.336 1.991) 5.967 14.503 ( -0.172 -3.559 1.545) 3.884 15.400 ( 17.468 5.634 -0.023) 18.354 15.670 ( 4.466 0.196 -1.550) 4.732 15.860 ( 2.829 3.210 5.607) 7.053 16.603 ( 13.478 1.209 -2.974) 13.855 16.780 ( 30.144 -12.169 1.262) 32.532 17.490 ( -6.545 5.854 -7.386) 11.474 17.601 ( -5.766 3.064 3.787) 7.548 17.902 ( 7.204 1.455 4.082) 8.407 18.182 ( 3.551 0.244 2.014) 4.090 18.395 ( 4.050 2.837 3.972) 6.343 18.879 ( -3.037 -1.787 -5.369) 6.423 19.605 ( 3.136 1.955 -6.042) 7.083 19.885 ( 1.294 -2.325 3.522) 4.414 20.150 ( -1.911 -1.166 -5.970) 6.376 20.324 ( -2.345 -2.947 2.695) 4.631 20.665 ( 0.203 -2.711 -1.364) 3.041 20.829 ( 1.049 5.082 8.745) 10.168 21.240 ( -2.027 6.982 -4.770) 8.695 ======================= Grid point 120 (46/172) ======================= q-point: ( 0.50 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 20.919 4.404 -0.324) 21.380 2.277 ( -5.147 -2.523 -10.435) 11.906 2.454 ( 4.709 1.077 9.930) 11.043 2.738 ( 2.986 -6.702 -0.910) 7.394 2.847 ( 7.666 1.551 -3.594) 8.607 2.991 ( -1.014 3.167 -9.793) 10.342 3.192 ( 2.288 6.452 5.598) 8.843 3.337 ( -1.325 -3.626 -4.018) 5.572 3.436 ( -1.663 0.820 8.322) 8.526 3.722 ( -3.794 0.347 7.108) 8.065 3.931 ( 2.195 -2.155 -5.785) 6.552 4.411 ( -3.153 -2.758 1.146) 4.343 4.429 ( -6.366 -3.297 2.909) 7.737 4.751 ( 1.927 1.057 -2.466) 3.303 5.052 ( -0.581 2.972 3.358) 4.521 5.224 ( -1.362 8.465 12.050) 14.789 5.381 ( -1.773 -2.365 -4.716) 5.566 5.672 ( -1.340 2.912 -9.325) 9.861 5.792 ( -10.630 0.826 -2.877) 11.044 5.995 ( 7.086 -7.992 2.470) 10.963 6.234 ( 0.106 1.852 -6.157) 6.430 6.371 ( -0.607 -2.409 -0.752) 2.595 6.448 ( 5.757 -0.185 -2.681) 6.354 6.654 ( 1.487 -1.832 7.631) 7.987 7.035 ( 6.056 -3.749 2.384) 7.511 7.203 ( 1.391 2.127 0.232) 2.552 7.306 ( -3.418 -4.389 5.406) 7.757 7.540 ( -6.528 -0.461 -11.525) 13.253 7.569 ( 1.671 2.212 -2.159) 3.514 7.879 ( -3.350 -2.282 -0.347) 4.068 7.927 ( -4.372 2.206 -1.381) 5.088 8.180 ( -1.017 0.940 -0.950) 1.679 8.310 ( 2.033 2.598 -1.372) 3.573 8.536 ( 10.849 1.147 5.694) 12.306 8.726 ( -1.822 -1.130 2.025) 2.949 8.928 ( 0.734 -2.983 -2.947) 4.257 9.151 ( 0.267 -0.840 0.337) 0.944 9.454 ( 0.008 -1.424 4.405) 4.630 9.958 ( -2.807 8.073 3.065) 9.080 10.461 ( -1.890 3.852 -2.423) 4.928 10.805 ( 7.878 -1.837 6.263) 10.231 10.971 ( -0.503 0.767 -2.191) 2.375 11.660 ( -5.300 -2.168 1.452) 5.907 11.799 ( 5.282 0.415 -2.239) 5.752 12.012 ( 2.899 2.825 5.719) 7.006 12.460 ( -6.460 -1.543 -3.265) 7.401 12.644 ( 0.975 5.202 -10.828) 12.052 12.750 ( 1.101 2.386 6.095) 6.638 13.319 ( 0.664 0.179 1.266) 1.441 13.488 ( -0.024 0.392 -2.949) 2.975 13.669 ( -4.413 0.670 0.859) 4.545 14.041 ( 2.011 -2.588 -1.100) 3.457 14.372 ( -3.073 -1.093 2.518) 4.120 14.600 ( 1.026 -5.817 0.525) 5.930 15.383 ( 9.780 8.532 1.029) 13.019 15.664 ( 6.145 3.833 -3.622) 8.098 15.872 ( 5.923 2.381 4.644) 7.894 16.675 ( 7.876 -0.019 -1.182) 7.964 17.178 ( 18.017 -2.805 -3.688) 18.603 17.204 ( -12.050 9.573 -0.598) 15.402 17.532 ( -5.843 -0.759 0.097) 5.893 17.959 ( 5.373 -0.041 7.981) 9.621 18.190 ( 4.176 2.141 -1.397) 4.897 18.448 ( 11.497 0.854 4.867) 12.514 18.849 ( -4.852 -1.339 -7.536) 9.063 19.572 ( 0.083 0.401 -7.220) 7.231 19.927 ( -1.853 0.687 5.542) 5.884 20.112 ( -3.758 -0.498 -3.021) 4.847 20.380 ( -0.575 -3.196 0.797) 3.344 20.739 ( -0.686 -3.865 4.795) 6.197 20.771 ( 0.811 2.884 1.581) 3.388 21.084 ( -2.721 6.319 -3.644) 7.785 ======================= Grid point 121 (47/172) ======================= q-point: (-0.40 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 18.559 9.612 -3.787) 21.241 2.115 ( -5.230 9.630 -9.467) 14.481 2.514 ( -2.117 -2.684 3.120) 4.628 2.659 ( -5.311 10.215 6.729) 13.336 2.862 ( 5.999 4.286 -3.667) 8.234 2.981 ( 0.522 -2.117 -5.241) 5.676 3.179 ( 5.685 2.769 7.035) 9.459 3.355 ( -3.978 -2.771 -2.711) 5.555 3.470 ( 2.578 -0.740 4.485) 5.226 3.732 ( -2.865 -0.737 1.214) 3.198 3.933 ( 1.930 -0.462 -3.962) 4.431 4.430 ( -4.430 -3.037 1.639) 5.615 4.451 ( -5.156 -2.605 3.618) 6.817 4.737 ( 0.694 0.423 0.578) 0.997 4.981 ( -3.953 3.344 0.990) 5.271 5.202 ( 7.095 0.810 4.948) 8.688 5.405 ( -3.665 -4.313 -2.768) 6.300 5.565 ( -2.575 2.472 -5.615) 6.654 5.726 ( -6.376 -0.985 0.465) 6.468 6.143 ( 2.393 -2.507 3.239) 4.744 6.173 ( 0.633 2.380 -5.877) 6.372 6.419 ( 0.392 -3.227 -4.711) 5.724 6.477 ( 4.303 1.405 4.645) 6.486 6.720 ( 1.707 -0.676 5.708) 5.996 7.058 ( 2.598 2.603 -7.865) 8.682 7.201 ( 0.344 0.470 5.533) 5.563 7.281 ( -7.194 1.910 -5.418) 9.206 7.504 ( -0.736 -0.868 -4.118) 4.272 7.587 ( -2.777 -4.141 3.613) 6.157 7.814 ( -5.383 2.724 -0.304) 6.040 7.902 ( 1.003 -0.359 -4.184) 4.317 8.160 ( -1.043 0.871 4.265) 4.476 8.269 ( 3.984 4.001 -1.848) 5.941 8.569 ( 6.141 4.560 2.510) 8.050 8.737 ( -3.836 -1.858 0.886) 4.353 8.984 ( 2.941 -2.620 -1.352) 4.164 9.163 ( -0.094 -0.235 -0.903) 0.938 9.441 ( -10.870 0.821 5.670) 12.288 9.821 ( -3.200 5.472 5.007) 8.078 10.380 ( 1.044 3.286 -3.238) 4.730 10.881 ( 0.314 1.076 2.103) 2.383 10.976 ( 5.533 -1.409 0.851) 5.773 11.657 ( -3.746 -0.890 4.694) 6.071 11.786 ( 1.801 1.566 -4.526) 5.117 12.047 ( 3.578 1.122 4.597) 5.933 12.417 ( -8.330 -3.702 -8.442) 12.424 12.567 ( 2.882 1.908 -5.948) 6.880 12.762 ( 0.013 -0.445 6.602) 6.617 13.334 ( 0.794 0.508 2.308) 2.493 13.465 ( 0.401 0.383 -3.147) 3.195 13.636 ( -2.487 -0.205 0.052) 2.496 14.094 ( 3.331 -1.218 -0.971) 3.677 14.345 ( -4.315 1.362 2.197) 5.031 14.696 ( 0.457 -3.649 -0.398) 3.699 15.292 ( 7.216 9.823 2.780) 12.501 15.597 ( 4.361 7.244 -3.857) 9.293 15.893 ( 4.814 1.629 0.716) 5.133 16.711 ( 7.550 3.272 0.694) 8.258 16.769 ( -24.649 15.124 0.190) 28.920 17.277 ( -0.013 0.515 -4.577) 4.606 17.574 ( 2.621 -0.920 1.790) 3.305 18.097 ( 10.735 -4.346 9.741) 15.133 18.149 ( 2.291 3.948 -2.659) 5.283 18.578 ( 17.057 0.059 3.503) 17.413 18.789 ( -6.786 -1.050 -8.644) 11.039 19.522 ( -6.206 -0.658 -8.831) 10.814 19.870 ( -6.370 3.146 6.080) 9.351 20.093 ( -3.645 -0.480 -0.570) 3.720 20.435 ( 2.798 -2.328 -0.378) 3.660 20.683 ( -1.110 5.386 4.902) 7.367 20.853 ( -0.117 0.399 1.873) 1.918 20.993 ( -3.351 -5.278 -3.411) 7.122 ======================= Grid point 122 (48/172) ======================= q-point: (-0.30 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 16.775 13.980 -5.796) 22.593 1.808 ( -5.706 16.699 -2.572) 17.833 2.454 ( -3.989 11.490 9.486) 15.424 2.561 ( -1.278 -0.547 2.917) 3.231 2.664 ( -7.371 14.299 -4.030) 16.584 3.004 ( -0.381 -2.257 -1.223) 2.595 3.139 ( -1.127 6.648 1.982) 7.029 3.353 ( -1.633 1.745 -2.173) 3.231 3.548 ( 9.763 -0.723 6.381) 11.686 3.689 ( -4.257 -1.886 -5.096) 6.903 4.003 ( 2.905 -4.728 -1.934) 5.876 4.446 ( -0.593 1.281 3.141) 3.444 4.486 ( -7.028 -7.018 2.359) 10.208 4.780 ( 0.304 -5.320 -2.427) 5.855 4.929 ( -0.341 -0.619 -1.262) 1.446 5.294 ( 10.354 0.177 4.572) 11.320 5.441 ( -6.306 -4.935 -2.922) 8.524 5.520 ( -0.471 0.231 -0.404) 0.662 5.706 ( -4.141 -0.219 5.936) 7.241 6.118 ( -0.228 2.028 -3.294) 3.875 6.159 ( 0.542 2.192 0.263) 2.273 6.447 ( 1.212 -0.544 -0.022) 1.328 6.499 ( 2.006 0.809 3.387) 4.019 6.728 ( -3.390 0.987 1.051) 3.684 6.968 ( 2.945 6.111 -6.849) 9.640 7.158 ( -8.578 -0.507 -13.970) 16.401 7.231 ( 3.441 0.527 5.160) 6.225 7.487 ( -7.035 0.447 5.315) 8.828 7.607 ( 1.780 1.163 0.078) 2.128 7.779 ( 1.685 -0.463 -3.536) 3.944 7.887 ( -1.022 0.591 -1.947) 2.277 8.158 ( -3.396 0.693 6.543) 7.405 8.238 ( 10.522 4.667 -0.355) 11.516 8.520 ( 2.484 5.668 3.977) 7.356 8.725 ( -8.062 -2.089 -0.854) 8.372 9.047 ( 4.114 -1.604 -2.163) 4.917 9.136 ( -4.478 1.547 -0.816) 4.807 9.307 ( -14.391 2.462 0.938) 14.631 9.772 ( -3.222 0.999 10.820) 11.334 10.342 ( 4.224 2.146 -2.275) 5.256 10.835 ( -3.503 1.703 -0.435) 3.919 11.068 ( 6.755 -1.069 2.211) 7.188 11.677 ( -2.771 -1.626 6.693) 7.424 11.744 ( -1.613 1.392 -4.129) 4.647 12.039 ( 1.027 2.793 1.970) 3.569 12.399 ( -5.012 -4.434 -11.153) 13.006 12.557 ( 1.614 -0.479 -3.584) 3.959 12.821 ( -0.177 -3.039 7.695) 8.275 13.307 ( -1.623 2.321 0.293) 2.847 13.480 ( 2.697 -0.835 1.393) 3.148 13.636 ( -0.326 -0.620 0.523) 0.874 14.120 ( 3.003 0.754 -2.156) 3.773 14.288 ( -3.690 1.740 1.729) 4.431 14.723 ( -0.488 0.165 -0.889) 1.028 15.191 ( 7.869 9.878 3.732) 13.169 15.446 ( -2.032 9.197 -3.512) 10.053 15.883 ( 0.989 2.779 -2.841) 4.095 16.309 ( -22.735 12.670 0.589) 26.034 16.709 ( 13.382 7.782 3.677) 15.911 17.234 ( -6.773 -1.083 -3.846) 7.864 17.548 ( -5.224 2.836 2.869) 6.600 18.066 ( 2.643 5.392 -1.308) 6.146 18.338 ( 10.693 -6.152 7.330) 14.349 18.717 ( -6.187 -4.072 -8.063) 10.949 18.729 ( 18.109 3.889 2.231) 18.656 19.417 ( -13.808 -1.448 -10.919) 17.663 19.804 ( -3.872 1.953 6.034) 7.431 20.048 ( -2.802 2.033 -0.731) 3.538 20.502 ( 2.820 -2.186 -0.707) 3.637 20.600 ( -2.206 3.999 3.890) 5.999 20.765 ( -3.251 5.011 3.311) 6.829 21.159 ( -0.796 -12.463 -2.099) 12.664 ======================= Grid point 123 (49/172) ======================= q-point: (-0.20 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -2.339 20.074 3.287) 20.476 1.481 ( 11.451 18.793 3.604) 22.300 2.161 ( -14.138 23.059 -1.667) 27.099 2.251 ( 1.004 15.028 11.274) 18.814 2.642 ( 0.372 -3.297 -1.856) 3.802 2.996 ( -3.466 5.256 -0.755) 6.341 3.045 ( -0.581 -2.298 -0.563) 2.436 3.259 ( -0.385 5.991 2.064) 6.348 3.592 ( 0.730 -0.568 -4.235) 4.334 3.795 ( 6.835 -4.093 8.404) 11.580 4.061 ( -1.521 -2.699 -7.692) 8.293 4.434 ( -1.131 0.767 5.449) 5.618 4.585 ( -1.262 -7.862 -2.684) 8.403 4.878 ( 0.574 -6.045 -6.718) 9.056 5.008 ( 3.701 -6.521 1.779) 7.706 5.355 ( 1.300 1.309 2.103) 2.798 5.449 ( -0.083 -2.229 -4.001) 4.580 5.516 ( -0.532 1.065 0.983) 1.544 5.731 ( -1.927 -1.092 12.576) 12.770 6.074 ( 0.836 1.383 -4.417) 4.704 6.103 ( 1.546 4.199 0.653) 4.522 6.461 ( -5.362 -1.717 6.313) 8.459 6.512 ( 3.714 2.312 0.342) 4.388 6.640 ( -7.610 3.176 -2.403) 8.590 6.878 ( 6.730 4.246 -2.284) 8.279 7.041 ( -9.612 -1.059 -15.021) 17.865 7.262 ( 3.677 1.713 1.639) 4.376 7.446 ( -2.170 1.299 7.474) 7.891 7.620 ( 3.858 0.591 0.012) 3.903 7.773 ( 4.804 1.188 -8.974) 10.248 7.855 ( -1.497 1.744 1.368) 2.675 8.123 ( -2.159 2.549 4.192) 5.360 8.280 ( 13.641 3.016 3.219) 14.336 8.455 ( -0.435 4.790 5.434) 7.257 8.665 ( -14.655 -1.562 -0.385) 14.743 9.017 ( -12.231 2.515 1.458) 12.572 9.077 ( 2.368 0.066 -4.786) 5.340 9.194 ( -3.682 1.684 -2.774) 4.908 9.813 ( -1.922 -2.259 14.788) 15.083 10.353 ( 5.322 0.693 0.608) 5.401 10.775 ( -3.659 1.549 -0.537) 4.009 11.119 ( 2.735 0.541 0.518) 2.836 11.674 ( -8.427 -0.736 -4.931) 9.791 11.712 ( -0.351 0.334 6.441) 6.459 12.026 ( 2.881 0.892 8.053) 8.599 12.394 ( -1.742 -3.534 -12.203) 12.823 12.571 ( 0.461 -1.230 -2.443) 2.774 12.924 ( -0.154 -5.322 7.460) 9.165 13.258 ( -0.656 1.692 0.116) 1.819 13.532 ( 2.742 -0.301 7.161) 7.674 13.646 ( -0.049 -0.266 1.447) 1.472 14.094 ( 1.533 2.992 -3.057) 4.544 14.247 ( -1.127 1.891 1.858) 2.881 14.698 ( -0.631 0.555 -1.646) 1.848 15.107 ( 10.075 9.158 2.984) 13.938 15.225 ( -10.271 8.396 -1.068) 13.308 15.737 ( -2.580 10.310 -3.152) 11.085 16.059 ( -9.655 1.184 0.990) 9.778 16.697 ( 17.994 9.832 4.874) 21.077 17.158 ( -12.792 -0.425 -4.028) 13.418 17.465 ( -4.157 2.336 3.987) 6.216 17.996 ( 2.204 4.582 0.603) 5.120 18.462 ( -5.002 -3.096 -4.242) 7.253 18.700 ( 0.369 -0.855 -3.337) 3.465 18.825 ( 13.458 3.718 2.621) 14.206 19.310 ( -7.215 -3.544 -11.326) 13.889 19.785 ( -0.475 0.967 4.974) 5.090 19.983 ( 0.293 3.502 -0.979) 3.648 20.485 ( -6.659 1.380 2.053) 7.103 20.600 ( 2.123 -1.420 3.167) 4.069 20.694 ( -3.687 1.696 5.764) 7.049 21.358 ( -0.127 -11.184 -3.043) 11.591 ======================= Grid point 124 (50/172) ======================= q-point: (-0.10 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -2.094 22.190 11.805) 25.222 1.161 ( -4.508 23.818 13.227) 27.615 1.735 ( 10.502 23.558 20.791) 33.129 2.109 ( 5.941 5.837 -0.420) 8.339 2.602 ( -0.043 4.867 -14.729) 15.513 2.953 ( -2.257 -0.659 4.616) 5.181 3.037 ( -0.104 2.268 3.011) 3.771 3.227 ( 1.786 -0.496 3.815) 4.242 3.588 ( -0.580 -0.644 -3.184) 3.300 3.913 ( 3.553 -0.120 10.300) 10.896 4.025 ( -4.851 -0.901 -10.005) 11.156 4.446 ( -0.519 -0.683 2.544) 2.685 4.703 ( 1.740 -5.548 -3.019) 6.551 4.930 ( -1.691 -5.026 -11.276) 12.461 5.184 ( 3.017 -6.576 1.939) 7.490 5.341 ( -1.158 -2.962 0.192) 3.186 5.475 ( 1.278 3.322 -0.034) 3.560 5.482 ( 3.751 0.246 -3.220) 4.949 5.778 ( -0.531 1.245 11.599) 11.677 6.050 ( 2.362 1.371 -3.009) 4.063 6.072 ( 2.194 1.909 4.242) 5.144 6.435 ( -2.145 4.215 -5.536) 7.281 6.493 ( -10.621 -5.856 9.816) 15.603 6.499 ( -6.502 4.043 -3.136) 8.274 6.921 ( -6.141 -2.578 -13.307) 14.881 6.973 ( 14.628 -0.214 6.647) 16.069 7.237 ( 0.053 2.625 0.167) 2.631 7.464 ( 5.209 1.636 5.350) 7.644 7.639 ( 3.757 0.437 -0.741) 3.855 7.754 ( 6.554 2.337 -10.871) 12.907 7.817 ( 0.818 2.223 1.961) 3.075 8.074 ( -0.616 3.210 1.303) 3.519 8.363 ( 10.880 2.185 5.484) 12.378 8.381 ( -2.405 3.120 4.957) 6.331 8.557 ( -12.426 0.662 3.135) 12.833 8.926 ( -5.552 -0.604 -1.117) 5.695 9.044 ( 0.399 2.183 -6.018) 6.415 9.142 ( -0.239 1.740 -1.398) 2.245 9.932 ( 1.324 -4.299 14.553) 15.232 10.401 ( 3.346 -0.635 4.171) 5.385 10.703 ( -5.041 2.847 -2.602) 6.348 11.093 ( -2.506 1.766 -1.879) 3.595 11.603 ( -5.603 -0.437 -3.793) 6.780 11.701 ( -2.419 1.641 2.099) 3.599 12.196 ( 10.711 -8.344 18.226) 22.727 12.415 ( -0.501 -5.349 -7.213) 8.994 12.590 ( 0.823 -1.629 0.448) 1.879 13.066 ( 0.092 -7.777 4.980) 9.235 13.254 ( 1.644 -0.223 3.301) 3.694 13.600 ( 2.584 -1.843 11.182) 11.624 13.668 ( 0.017 -1.685 5.088) 5.360 14.033 ( 0.511 2.808 -2.131) 3.562 14.199 ( -0.788 3.939 3.893) 5.594 14.707 ( -3.771 -4.692 -4.220) 7.351 15.021 ( -6.448 5.440 2.297) 8.743 15.063 ( 11.378 6.733 0.760) 13.242 15.587 ( 8.147 6.919 5.309) 11.935 16.036 ( -0.347 -2.640 0.068) 2.664 16.643 ( -3.725 8.934 6.676) 11.759 17.050 ( 3.953 2.867 -6.630) 8.234 17.451 ( 1.275 -0.014 5.513) 5.658 17.945 ( 1.415 3.315 2.048) 4.146 18.350 ( -15.569 1.437 -15.713) 22.167 18.652 ( -3.299 2.404 -3.401) 5.313 18.837 ( 7.433 5.192 0.360) 9.074 19.392 ( 14.797 -5.691 -7.283) 17.446 19.796 ( 2.727 0.683 2.469) 3.742 19.929 ( 4.845 4.097 -1.984) 6.648 20.440 ( -14.008 -3.849 9.960) 17.613 20.647 ( 1.146 -1.158 0.042) 1.629 20.695 ( -4.327 -1.659 11.770) 12.650 21.511 ( -0.493 -7.603 -5.205) 9.227 ======================= Grid point 127 (51/172) ======================= q-point: ( 0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 19.482 0.000 23.442) 30.481 1.373 ( 29.150 0.000 2.926) 29.296 2.210 ( 9.853 0.000 -20.465) 22.714 2.497 ( 12.249 0.000 -15.198) 19.520 2.731 ( 14.484 0.000 37.524) 40.223 2.853 ( 4.952 0.000 11.151) 12.201 3.150 ( -2.183 -0.000 -0.556) 2.253 3.399 ( 6.883 0.000 6.095) 9.194 3.598 ( -9.302 -0.000 -12.816) 15.836 3.604 ( 6.761 0.000 5.483) 8.705 4.033 ( -7.385 -0.000 10.297) 12.671 4.249 ( -11.105 -0.000 -0.912) 11.142 4.455 ( -10.797 -0.000 -10.653) 15.167 4.789 ( 6.587 0.000 -20.465) 21.499 5.291 ( -4.365 -0.000 3.056) 5.329 5.300 ( -1.963 -0.000 -8.177) 8.409 5.503 ( 2.515 0.000 -2.956) 3.881 5.849 ( 5.496 0.000 2.833) 6.183 5.942 ( 1.615 0.000 -1.102) 1.955 5.976 ( 6.714 0.000 12.648) 14.320 6.065 ( -5.898 -0.000 5.986) 8.404 6.257 ( 2.808 0.000 -8.175) 8.644 6.280 ( 4.520 0.000 1.720) 4.836 6.435 ( -1.909 -0.000 -4.747) 5.117 6.930 ( -15.239 -0.000 -0.191) 15.241 7.135 ( 13.281 0.000 0.433) 13.288 7.232 ( -8.617 -0.000 2.426) 8.952 7.655 ( 4.048 0.000 -3.580) 5.404 7.733 ( -2.215 -0.000 -10.357) 10.591 7.792 ( 1.094 0.000 4.646) 4.773 7.937 ( 4.750 0.000 -6.118) 7.746 8.046 ( 14.059 0.000 16.814) 21.917 8.264 ( -4.504 -0.000 1.481) 4.741 8.452 ( 2.586 0.000 -3.127) 4.057 8.688 ( -3.715 -0.000 4.860) 6.117 8.781 ( 1.732 0.000 -12.329) 12.451 9.119 ( -1.727 -0.000 2.324) 2.896 9.258 ( 18.222 0.000 -7.847) 19.839 10.341 ( -2.590 -0.000 -0.378) 2.617 10.420 ( 9.480 0.000 5.188) 10.807 10.588 ( 4.133 0.000 14.348) 14.932 11.020 ( 1.448 0.000 -4.261) 4.501 11.533 ( -0.069 -0.000 -1.244) 1.246 11.546 ( -0.878 -0.000 -0.802) 1.189 12.433 ( -0.960 -0.000 -5.448) 5.532 12.558 ( 7.726 0.000 -1.745) 7.921 13.007 ( -1.024 -0.000 8.009) 8.074 13.211 ( -9.297 -0.000 -3.832) 10.056 13.434 ( 6.246 0.000 4.003) 7.419 13.654 ( -1.343 -0.000 -6.102) 6.248 13.744 ( -6.710 -0.000 -0.977) 6.781 13.858 ( -18.860 -0.000 2.816) 19.069 14.080 ( -3.624 -0.000 5.117) 6.270 14.423 ( -1.744 -0.000 -4.552) 4.875 15.428 ( 18.442 0.000 6.358) 19.508 15.470 ( 28.345 0.000 -1.645) 28.392 15.835 ( 9.853 0.000 -2.658) 10.205 16.054 ( 6.319 0.000 10.942) 12.636 16.943 ( 4.028 0.000 -0.133) 4.030 17.391 ( 9.393 0.000 -0.786) 9.426 17.876 ( 19.233 0.000 0.976) 19.258 17.888 ( 12.394 0.000 -10.776) 16.423 18.327 ( 0.054 0.000 1.683) 1.684 18.330 ( -5.273 -0.000 -12.048) 13.151 18.842 ( 3.197 0.000 8.560) 9.138 19.758 ( -1.588 -0.000 -5.174) 5.412 19.819 ( 2.537 0.000 2.006) 3.234 20.008 ( -18.909 -0.000 12.408) 22.616 20.361 ( 17.499 0.000 -27.171) 32.318 20.587 ( -6.662 -0.000 1.145) 6.759 20.912 ( 3.166 0.000 9.100) 9.636 21.505 ( -2.010 -0.000 1.558) 2.543 ======================= Grid point 128 (52/172) ======================= q-point: ( 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 24.264 -0.176 7.391) 25.366 1.699 ( 17.133 -8.541 11.754) 22.464 2.257 ( 13.952 -3.333 -17.375) 22.531 2.507 ( 4.827 0.667 -7.899) 9.282 2.842 ( 8.729 3.996 6.730) 11.725 3.048 ( 0.213 -5.158 14.301) 15.204 3.169 ( 7.095 -2.039 4.984) 8.908 3.431 ( -3.729 0.209 1.321) 3.962 3.474 ( -11.255 -0.719 -8.238) 13.966 3.767 ( 21.100 0.248 8.926) 22.912 3.970 ( -11.060 3.159 8.020) 14.022 4.192 ( -9.055 -3.569 3.011) 10.188 4.333 ( -9.380 -0.923 -11.163) 14.610 4.759 ( 8.727 1.373 -17.336) 19.457 5.229 ( -5.889 2.175 1.870) 6.550 5.285 ( -1.531 -1.979 -6.681) 7.134 5.514 ( 1.725 -1.406 -1.235) 2.545 5.849 ( 0.536 3.309 3.167) 4.611 5.899 ( 0.240 4.423 1.569) 4.699 6.023 ( 2.417 5.847 3.646) 7.302 6.125 ( 0.328 -6.273 4.596) 7.783 6.308 ( 3.653 -3.086 -4.588) 6.627 6.368 ( 5.661 -3.652 2.771) 7.284 6.393 ( 0.701 -0.142 -3.352) 3.428 6.777 ( -9.074 2.605 0.540) 9.456 7.186 ( -5.784 -0.495 2.141) 6.188 7.253 ( 9.718 -0.466 0.418) 9.739 7.644 ( -3.450 -0.628 -4.682) 5.849 7.665 ( -3.433 0.097 -8.882) 9.523 7.819 ( 0.787 -0.016 3.187) 3.282 7.955 ( 3.840 0.312 -1.926) 4.307 8.180 ( -1.974 -1.356 1.434) 2.792 8.306 ( 13.801 -1.345 10.155) 17.187 8.447 ( 1.630 1.067 -3.393) 3.913 8.681 ( -4.276 -0.415 6.429) 7.733 8.774 ( 2.989 -2.147 -10.404) 11.036 9.115 ( -2.740 -0.430 2.495) 3.731 9.361 ( 15.215 0.245 -6.985) 16.744 10.295 ( -1.017 3.131 0.849) 3.400 10.523 ( 5.594 -1.861 3.326) 6.769 10.679 ( 4.768 0.688 12.382) 13.286 11.012 ( 1.124 0.150 -4.125) 4.278 11.545 ( -1.318 -1.266 -0.560) 1.911 11.576 ( 3.786 -2.747 3.567) 5.883 12.381 ( -0.861 2.711 -5.957) 6.601 12.571 ( 3.713 4.140 -0.163) 5.564 12.980 ( -3.432 4.353 5.999) 8.168 13.056 ( -9.758 3.948 -6.044) 12.138 13.485 ( 4.800 1.734 3.482) 6.178 13.541 ( -5.950 5.530 -2.400) 8.470 13.708 ( -9.945 1.051 3.168) 10.490 13.781 ( -2.251 -6.547 -2.820) 7.476 14.134 ( 1.275 -3.596 3.517) 5.189 14.413 ( -1.903 -2.167 -2.932) 4.112 15.546 ( 12.212 1.944 4.679) 13.221 15.670 ( 19.447 0.345 -2.224) 19.577 15.928 ( 15.371 2.891 -0.648) 15.654 16.315 ( 25.469 -12.023 3.835) 28.424 16.868 ( 6.455 8.894 -1.594) 11.105 17.479 ( 5.936 -1.912 -0.355) 6.246 17.875 ( 10.326 6.536 -10.711) 16.250 18.076 ( -0.724 9.722 0.617) 9.769 18.113 ( 14.458 -3.621 5.531) 15.898 18.426 ( -3.337 -4.501 -3.774) 6.756 18.874 ( 1.537 2.369 5.477) 6.162 19.701 ( -0.746 2.535 -4.619) 5.321 19.819 ( -0.493 0.211 2.610) 2.665 19.978 ( -13.388 -6.070 8.877) 17.172 20.356 ( 9.113 3.008 -17.059) 19.573 20.577 ( -2.629 -3.657 -3.859) 5.931 20.960 ( 3.598 1.909 8.544) 9.465 21.453 ( -2.919 4.051 0.006) 4.993 ======================= Grid point 129 (53/172) ======================= q-point: ( 0.40 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 22.519 -0.247 1.773) 22.590 2.009 ( 9.122 -8.826 7.268) 14.626 2.411 ( 14.756 -7.270 -12.866) 20.883 2.513 ( 3.130 0.111 1.526) 3.484 2.860 ( 11.153 2.436 -5.560) 12.698 3.107 ( -0.004 0.063 4.034) 4.034 3.292 ( -4.663 -0.164 -4.973) 6.819 3.365 ( -3.450 -0.635 1.815) 3.950 3.397 ( -5.838 -0.845 5.849) 8.307 3.829 ( -9.648 4.533 7.781) 13.198 3.906 ( 14.220 3.603 -2.009) 14.806 4.248 ( -9.770 -6.312 5.111) 12.705 4.276 ( -4.495 -4.156 -1.786) 6.377 4.753 ( 8.840 0.688 -12.221) 15.099 5.144 ( -5.181 2.589 1.870) 6.086 5.293 ( -0.151 -2.446 -6.584) 7.025 5.574 ( -0.160 -0.983 7.908) 7.971 5.765 ( -5.149 4.923 -1.983) 7.395 5.851 ( 2.269 3.349 6.673) 7.803 5.894 ( 1.454 7.349 -2.379) 7.861 6.246 ( -0.018 -4.578 -2.684) 5.307 6.320 ( 0.346 1.297 -5.868) 6.020 6.358 ( 2.553 -2.136 -1.423) 3.620 6.564 ( 4.445 -4.925 5.030) 8.326 6.784 ( 3.167 -6.229 4.572) 8.351 7.174 ( -5.067 -1.948 3.893) 6.680 7.297 ( 5.844 2.709 0.149) 6.443 7.566 ( -7.032 0.411 -9.294) 11.662 7.629 ( -2.800 -0.409 -3.751) 4.699 7.826 ( -0.941 -0.039 1.601) 1.858 7.964 ( 1.427 0.680 -0.420) 1.636 8.179 ( 0.215 -1.336 -3.617) 3.862 8.407 ( 2.958 2.645 -2.661) 4.778 8.509 ( 12.328 -2.067 8.771) 15.270 8.686 ( -3.931 -1.177 5.467) 6.836 8.812 ( 2.634 -3.012 -6.457) 7.596 9.113 ( -2.793 -0.991 2.394) 3.810 9.437 ( 9.739 0.419 -3.609) 10.394 10.217 ( -0.949 5.358 1.096) 5.551 10.579 ( 2.383 1.401 1.274) 3.044 10.744 ( 4.560 -0.398 8.535) 9.685 10.999 ( 0.402 0.483 -3.164) 3.226 11.557 ( -2.754 -2.095 -0.530) 3.500 11.714 ( 8.254 -4.094 7.727) 12.025 12.269 ( 0.002 7.308 -4.093) 8.376 12.473 ( -6.791 3.985 -1.617) 8.038 12.854 ( -3.028 4.797 -6.450) 8.590 12.934 ( -1.260 5.878 4.961) 7.794 13.390 ( -3.310 4.585 0.878) 5.723 13.500 ( 1.828 0.930 -0.299) 2.072 13.674 ( -3.804 -0.540 0.716) 3.908 13.876 ( -0.451 -6.431 -2.924) 7.079 14.229 ( -0.348 -5.131 3.224) 6.070 14.447 ( -0.867 -3.358 0.506) 3.505 15.580 ( 3.359 2.183 -0.717) 4.070 15.780 ( 15.995 2.165 -3.763) 16.574 15.980 ( 16.957 5.332 1.126) 17.811 16.749 ( 15.386 -0.179 -1.355) 15.447 16.861 ( 29.979 -6.872 2.153) 30.832 17.512 ( 1.886 2.153 -4.164) 5.053 17.675 ( -7.608 11.176 -3.251) 13.905 18.024 ( 6.638 2.517 4.845) 8.595 18.257 ( 9.290 1.268 2.788) 9.782 18.447 ( -0.294 -1.696 1.424) 2.234 18.843 ( -0.069 2.396 0.187) 2.404 19.633 ( -0.332 2.466 -5.635) 6.160 19.863 ( 1.435 -3.189 2.553) 4.330 20.032 ( -7.749 -6.245 3.124) 10.431 20.290 ( -2.231 1.717 -4.478) 5.289 20.614 ( 1.553 -2.975 -6.682) 7.478 20.961 ( 1.923 4.489 8.205) 9.548 21.329 ( -2.629 6.643 -1.404) 7.281 ======================= Grid point 130 (54/172) ======================= q-point: ( 0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 20.806 2.172 -4.066) 21.310 2.178 ( 1.471 -3.828 1.195) 4.272 2.543 ( 2.252 -0.437 1.533) 2.759 2.639 ( 13.746 -6.391 -3.236) 15.501 2.917 ( 14.054 -0.259 -5.652) 15.150 3.043 ( -5.402 6.555 -0.561) 8.512 3.207 ( -6.693 -4.064 -5.635) 9.648 3.295 ( -4.140 2.393 0.716) 4.835 3.470 ( -0.199 -0.274 7.838) 7.845 3.729 ( -6.203 1.954 8.143) 10.421 3.925 ( 7.605 1.365 -6.904) 10.362 4.267 ( -12.612 -6.416 1.286) 14.209 4.352 ( -1.026 -3.279 4.737) 5.852 4.770 ( 6.243 0.305 -7.075) 9.441 5.087 ( -2.372 1.326 1.931) 3.334 5.304 ( -0.742 -1.965 -6.606) 6.932 5.459 ( -5.974 13.699 11.648) 18.948 5.663 ( -2.240 -0.000 -3.783) 4.397 5.747 ( -7.476 4.164 -2.171) 8.828 5.983 ( 12.984 -4.106 6.809) 15.225 6.221 ( -1.546 0.602 -6.746) 6.947 6.322 ( -0.157 -1.336 -5.633) 5.791 6.449 ( 4.840 -3.790 0.579) 6.174 6.667 ( 2.580 -2.246 6.976) 7.770 6.984 ( 4.949 -7.060 -0.524) 8.638 7.213 ( -4.143 -4.186 6.453) 8.736 7.268 ( 0.050 2.337 1.601) 2.833 7.456 ( -5.596 2.052 -7.252) 9.387 7.591 ( -2.822 0.570 -1.916) 3.458 7.825 ( -2.319 -0.677 1.231) 2.712 7.947 ( 1.640 1.681 -3.575) 4.277 8.202 ( 3.661 0.110 -0.653) 3.721 8.370 ( 2.796 2.568 -2.008) 4.295 8.638 ( 7.142 -0.567 2.330) 7.534 8.699 ( -2.151 -0.871 3.044) 3.828 8.868 ( 1.738 -3.301 -1.659) 4.083 9.127 ( -1.649 -1.550 1.700) 2.831 9.467 ( 1.635 1.117 1.216) 2.324 10.097 ( -1.256 7.767 1.263) 7.969 10.525 ( 0.033 4.684 -0.636) 4.727 10.849 ( 5.886 -2.553 5.831) 8.670 10.975 ( -0.255 0.910 -2.332) 2.517 11.566 ( -4.392 -2.518 -0.714) 5.113 11.875 ( 9.762 -0.910 6.715) 11.884 12.128 ( 1.437 6.668 1.443) 6.972 12.346 ( -11.253 -0.176 -7.099) 13.307 12.730 ( 2.123 5.938 -6.382) 8.972 12.851 ( -0.478 5.150 6.736) 8.492 13.337 ( -0.124 0.637 1.317) 1.468 13.492 ( 1.259 1.032 -1.282) 2.072 13.638 ( -4.825 0.407 -0.997) 4.944 13.972 ( 1.032 -5.392 -2.950) 6.232 14.322 ( -1.240 -3.699 3.621) 5.323 14.520 ( -0.053 -4.911 2.329) 5.436 15.533 ( 1.275 3.497 -5.141) 6.347 15.812 ( 7.506 3.163 -3.736) 8.961 16.028 ( 21.659 7.677 -0.038) 22.979 16.781 ( 9.268 2.193 2.139) 9.761 17.299 ( 2.034 9.318 -5.751) 11.138 17.307 ( 14.448 0.452 0.777) 14.476 17.484 ( -4.974 0.580 1.316) 5.177 18.057 ( 4.673 2.194 8.957) 10.338 18.285 ( 8.001 2.708 -1.744) 8.625 18.500 ( 0.224 -3.134 1.712) 3.578 18.807 ( 2.993 1.838 -3.366) 4.865 19.555 ( -3.208 2.277 -6.686) 7.758 19.937 ( 0.674 -1.159 3.686) 3.923 20.057 ( -4.368 -1.439 -1.539) 4.850 20.277 ( -5.598 -5.563 2.362) 8.238 20.656 ( 2.061 -3.300 -5.933) 7.095 20.903 ( 0.090 6.358 7.990) 10.211 21.177 ( -2.220 7.463 -1.457) 7.921 ======================= Grid point 131 (55/172) ======================= q-point: (-0.40 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 15.239 5.494 -12.289) 20.333 2.206 ( 3.847 4.017 2.146) 5.962 2.517 ( -1.474 2.653 0.364) 3.057 2.780 ( 0.362 1.974 7.420) 7.687 2.915 ( 1.636 1.076 -4.243) 4.673 3.008 ( 11.014 2.580 -2.051) 11.497 3.241 ( -3.745 -4.715 -4.295) 7.396 3.254 ( 1.038 -0.532 0.829) 1.431 3.477 ( -1.794 -0.357 7.771) 7.984 3.717 ( -2.408 -0.115 3.081) 3.912 3.925 ( 3.137 0.193 -6.901) 7.583 4.272 ( -14.789 -5.286 6.043) 16.827 4.410 ( 1.174 -2.459 -0.954) 2.887 4.773 ( 2.923 1.904 -2.823) 4.488 5.019 ( -5.611 4.854 1.209) 7.517 5.266 ( -1.390 -0.315 -3.249) 3.548 5.335 ( 1.705 0.968 1.227) 2.313 5.580 ( -4.683 4.900 2.598) 7.259 5.686 ( -0.765 -0.744 2.354) 2.584 6.162 ( 4.559 -1.750 2.017) 5.283 6.185 ( 3.434 0.731 -3.255) 4.788 6.328 ( -0.986 -3.709 -3.741) 5.359 6.537 ( 4.018 -1.207 2.042) 4.666 6.743 ( 1.186 -0.854 5.330) 5.527 7.041 ( 0.065 -1.060 -10.625) 10.678 7.176 ( -2.650 1.741 -4.047) 5.141 7.349 ( 0.657 2.461 9.184) 9.531 7.372 ( -7.092 -5.340 0.074) 8.878 7.574 ( 0.232 -0.676 2.463) 2.564 7.815 ( -2.194 0.516 1.690) 2.817 7.913 ( 2.837 1.805 -5.329) 6.301 8.208 ( 0.848 2.336 4.514) 5.153 8.362 ( 7.417 1.699 -2.893) 8.141 8.670 ( -1.694 -0.470 -0.240) 1.775 8.693 ( 1.764 2.180 0.118) 2.807 8.942 ( 1.641 -3.774 -0.203) 4.121 9.146 ( -0.549 -0.933 0.102) 1.087 9.419 ( -7.846 3.235 4.536) 9.623 9.945 ( -1.737 8.262 3.293) 9.062 10.447 ( 1.883 3.942 -1.506) 4.621 10.903 ( -0.805 1.520 -0.540) 1.802 10.995 ( 4.560 -2.502 2.096) 5.608 11.574 ( -4.805 -2.951 -0.572) 5.668 11.897 ( 5.808 6.163 2.186) 8.746 12.125 ( 5.293 0.992 5.875) 7.970 12.246 ( -9.670 -2.999 -10.559) 14.628 12.633 ( 2.859 4.789 -4.206) 6.986 12.806 ( -0.595 2.444 7.334) 7.753 13.359 ( 1.312 -0.721 3.157) 3.494 13.467 ( 0.465 1.570 -2.968) 3.390 13.599 ( -3.340 -0.815 -0.533) 3.479 14.053 ( 1.203 -4.126 -4.121) 5.955 14.348 ( -2.386 0.547 3.927) 4.628 14.630 ( 0.604 -5.427 2.462) 5.990 15.447 ( 0.734 4.286 -6.796) 8.068 15.768 ( 3.978 5.534 -3.217) 7.537 16.044 ( 19.436 9.193 -1.554) 21.556 16.807 ( -7.777 8.107 -0.126) 11.235 16.897 ( -5.618 9.896 4.096) 12.094 17.293 ( -2.350 4.985 -3.204) 6.375 17.635 ( 11.317 0.030 2.607) 11.613 18.145 ( 9.583 -2.897 8.687) 13.255 18.269 ( 6.471 4.869 -1.214) 8.188 18.546 ( -8.060 -5.150 -4.399) 10.528 18.830 ( 15.275 1.655 -2.914) 15.639 19.432 ( -10.393 2.596 -7.774) 13.236 19.899 ( -5.457 3.256 4.397) 7.727 20.061 ( -1.246 -1.225 1.218) 2.130 20.379 ( -0.096 -6.317 1.045) 6.403 20.719 ( -1.586 -4.469 -6.316) 7.898 20.829 ( 1.566 3.858 9.028) 9.941 21.022 ( -2.337 7.505 -0.693) 7.890 ======================= Grid point 132 (56/172) ======================= q-point: (-0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 9.751 8.932 -13.397) 18.824 2.091 ( 4.722 13.431 3.902) 14.762 2.523 ( 2.282 -2.623 3.959) 5.269 2.643 ( -8.599 10.770 5.401) 14.802 2.876 ( 0.847 9.854 4.895) 11.035 2.994 ( 4.104 0.972 -2.609) 4.959 3.228 ( -2.812 1.383 -2.030) 3.733 3.337 ( 1.913 0.149 -2.206) 2.924 3.534 ( 0.794 -6.821 1.010) 6.941 3.681 ( 0.880 2.751 -0.415) 2.918 3.949 ( 2.189 -2.402 -1.984) 3.808 4.284 ( -13.774 -6.989 5.743) 16.479 4.451 ( 1.652 -1.503 -1.348) 2.608 4.728 ( -0.742 1.216 -2.640) 2.999 4.931 ( -0.683 0.866 0.476) 1.201 5.295 ( -5.308 -4.245 -4.947) 8.406 5.378 ( 7.518 -2.007 0.748) 7.817 5.517 ( -1.825 1.629 6.988) 7.404 5.714 ( 1.196 0.318 7.465) 7.567 6.126 ( -2.196 1.700 -3.919) 4.803 6.210 ( 3.382 1.698 1.046) 3.926 6.408 ( 2.606 -4.025 -3.078) 5.698 6.570 ( 1.994 1.656 4.697) 5.365 6.724 ( -5.241 1.728 -1.004) 5.609 6.981 ( -0.522 1.336 -15.766) 15.831 7.125 ( 0.780 3.161 -1.823) 3.732 7.317 ( 4.017 1.964 4.071) 6.047 7.418 ( -7.483 -3.470 4.552) 9.421 7.625 ( 1.422 -0.848 5.422) 5.669 7.798 ( 1.636 1.078 0.073) 1.960 7.891 ( 1.766 1.061 -3.049) 3.679 8.182 ( -2.819 1.688 6.163) 6.984 8.401 ( 12.002 2.447 -0.836) 12.277 8.633 ( -7.159 0.050 -0.813) 7.206 8.654 ( 3.085 4.675 1.254) 5.739 9.013 ( 0.165 -3.385 -2.575) 4.257 9.141 ( -0.326 1.467 -0.643) 1.635 9.269 ( -11.965 4.795 2.887) 13.209 9.838 ( -1.612 4.340 8.127) 9.353 10.411 ( 4.108 2.479 -0.674) 4.845 10.848 ( -1.582 2.444 -1.474) 3.263 11.077 ( 1.219 -2.594 0.596) 2.927 11.588 ( -3.976 -2.756 -0.812) 4.905 11.840 ( 3.795 5.386 3.146) 7.301 12.101 ( -2.367 2.471 -1.141) 3.607 12.257 ( 0.910 -4.048 -6.563) 7.764 12.576 ( 2.076 2.335 -2.892) 4.257 12.816 ( -0.489 -0.595 7.479) 7.519 13.351 ( -0.466 3.191 0.822) 3.328 13.472 ( 1.750 -2.393 0.278) 2.978 13.612 ( -0.388 -1.812 1.083) 2.146 14.096 ( -0.229 -2.468 -5.594) 6.118 14.318 ( -1.490 2.295 4.196) 5.009 14.714 ( 0.757 -2.105 1.491) 2.688 15.340 ( -1.863 4.366 -6.650) 8.171 15.653 ( 4.451 10.595 -0.590) 11.507 16.011 ( 14.657 8.884 -3.032) 17.405 16.364 ( -23.016 14.499 -1.002) 27.220 16.928 ( 8.487 2.526 6.874) 11.210 17.187 ( -2.540 3.308 -2.261) 4.744 17.616 ( -0.574 5.771 3.210) 6.629 18.189 ( 3.542 5.363 -1.107) 6.522 18.340 ( 2.055 -3.127 3.213) 4.932 18.556 ( -0.529 -5.813 -3.840) 6.987 18.957 ( 22.849 1.405 -2.635) 23.043 19.233 ( -19.766 1.770 -8.513) 21.594 19.833 ( -3.591 2.010 5.926) 7.215 20.061 ( -0.783 0.858 1.304) 1.746 20.479 ( 2.246 -3.298 0.432) 4.014 20.661 ( -3.861 3.641 -0.454) 5.327 20.869 ( -1.229 7.421 1.830) 7.741 20.950 ( 1.272 -9.561 1.200) 9.719 ======================= Grid point 133 (57/172) ======================= q-point: (-0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 3.085 13.551 0.151) 13.899 1.881 ( 4.707 16.253 1.795) 17.016 2.328 ( -8.896 14.448 -3.240) 17.274 2.646 ( 8.539 -2.225 6.538) 10.982 2.676 ( 2.923 17.214 12.669) 21.572 3.016 ( 1.376 -0.941 -0.420) 1.719 3.059 ( -6.165 8.378 -6.067) 12.042 3.308 ( -0.237 -0.384 -6.541) 6.556 3.582 ( -3.924 1.363 0.977) 4.267 3.787 ( 8.211 -6.763 4.964) 11.738 3.984 ( -1.037 -1.154 -2.170) 2.667 4.344 ( -8.025 -7.944 1.237) 11.360 4.484 ( 0.956 -1.667 0.631) 2.023 4.753 ( 0.495 -4.970 -2.294) 5.497 4.977 ( 5.023 -3.500 0.773) 6.170 5.269 ( -8.847 -2.284 -5.391) 10.609 5.489 ( -0.386 -3.502 -0.451) 3.552 5.516 ( 5.711 2.160 6.146) 8.664 5.760 ( 1.677 0.056 12.916) 13.024 6.064 ( -1.478 1.052 -5.167) 5.476 6.195 ( 3.063 3.536 1.495) 4.911 6.449 ( -0.170 0.361 -1.187) 1.252 6.574 ( 3.159 0.933 3.414) 4.744 6.627 ( -7.493 2.347 -2.160) 8.143 6.864 ( -3.357 2.112 -16.891) 17.350 7.063 ( 5.114 4.189 -1.808) 6.853 7.324 ( -0.393 1.926 2.965) 3.557 7.474 ( 3.405 -1.909 7.725) 8.655 7.650 ( 1.103 0.488 2.455) 2.735 7.796 ( 3.811 1.092 -4.792) 6.219 7.877 ( 0.388 0.994 0.710) 1.281 8.161 ( -1.793 1.333 5.995) 6.398 8.429 ( 1.043 2.038 0.674) 2.387 8.541 ( -4.046 4.720 0.787) 6.267 8.625 ( 5.835 2.647 4.158) 7.638 8.986 ( -6.697 2.414 -4.392) 8.365 9.094 ( 1.688 1.749 0.275) 2.446 9.171 ( -3.272 0.161 -2.119) 3.902 9.834 ( -0.812 -0.323 12.223) 12.254 10.415 ( 4.560 1.345 1.517) 4.990 10.788 ( -1.057 2.357 -1.670) 3.076 11.100 ( -3.982 -1.662 -2.459) 4.966 11.588 ( -2.786 -0.739 -1.047) 3.067 11.797 ( 2.075 4.029 4.172) 6.159 12.059 ( -2.149 -0.830 1.296) 2.643 12.303 ( 3.814 -2.187 -7.230) 8.462 12.560 ( 1.556 0.248 -1.930) 2.491 12.871 ( -0.631 -3.088 5.160) 6.047 13.295 ( 0.502 2.522 -0.055) 2.572 13.541 ( 1.512 -2.476 2.563) 3.871 13.647 ( -0.024 -1.034 3.854) 3.990 14.097 ( -0.983 -0.898 -5.223) 5.390 14.291 ( 0.656 2.110 3.642) 4.261 14.721 ( 0.543 2.100 -1.124) 2.443 15.207 ( -7.459 4.416 -2.544) 9.034 15.470 ( 6.389 14.346 2.059) 15.839 15.929 ( 9.520 11.511 -3.540) 15.351 16.038 ( -9.289 4.075 -0.916) 10.185 16.915 ( -6.413 4.834 5.586) 9.783 17.140 ( 10.147 3.345 -1.610) 10.805 17.522 ( -1.188 4.441 4.703) 6.577 18.114 ( 2.434 5.797 1.684) 6.509 18.303 ( -13.979 -2.663 -8.982) 16.828 18.700 ( 9.082 -2.032 -0.581) 9.325 18.962 ( -11.272 4.576 -0.496) 12.175 19.170 ( 13.585 -5.387 -8.116) 16.717 19.815 ( -1.089 0.775 5.944) 6.092 20.039 ( 1.572 2.065 0.785) 2.711 20.497 ( -2.852 2.408 -0.583) 3.778 20.608 ( 0.708 -0.309 1.973) 2.119 20.748 ( -2.453 5.125 3.956) 6.923 21.152 ( 1.484 -11.128 -1.356) 11.308 ======================= Grid point 134 (58/172) ======================= q-point: (-0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -12.260 20.146 4.869) 24.080 1.614 ( 6.023 19.500 11.573) 23.461 2.120 ( 14.948 8.292 -7.311) 18.592 2.440 ( 5.187 18.288 17.319) 25.716 2.698 ( 6.885 7.336 -4.747) 11.124 2.926 ( -3.075 -1.837 2.763) 4.524 3.063 ( 1.850 -1.408 0.434) 2.365 3.282 ( 3.667 2.059 -3.471) 5.453 3.543 ( -4.346 -0.542 3.204) 5.427 3.913 ( -2.018 -2.283 -5.811) 6.561 3.973 ( -1.756 -0.430 6.671) 6.912 4.408 ( -2.823 -2.560 1.077) 3.960 4.559 ( -0.839 -7.092 -2.130) 7.453 4.826 ( 0.271 -3.095 -6.564) 7.262 5.119 ( 4.482 -5.167 0.831) 6.890 5.243 ( -3.923 -5.564 0.601) 6.835 5.456 ( -6.473 0.569 0.981) 6.571 5.579 ( 7.822 1.657 -1.413) 8.120 5.828 ( 0.571 0.115 13.131) 13.144 6.036 ( 0.815 -1.103 -7.781) 7.901 6.164 ( 3.992 3.884 3.428) 6.540 6.406 ( -5.393 0.910 4.404) 7.022 6.495 ( -5.661 4.936 -3.853) 8.441 6.551 ( 0.198 6.756 -0.031) 6.759 6.779 ( -2.827 -3.461 -12.981) 13.729 7.102 ( 13.769 -0.950 1.150) 13.849 7.279 ( -2.174 2.664 1.023) 3.588 7.532 ( 0.358 1.631 6.960) 7.158 7.673 ( 3.561 -0.241 1.810) 4.002 7.783 ( 6.359 1.269 -9.614) 11.596 7.869 ( 1.255 1.504 3.495) 4.006 8.138 ( 0.892 3.556 1.547) 3.979 8.332 ( -14.702 0.629 4.440) 15.371 8.467 ( -1.375 2.926 6.333) 7.110 8.677 ( 14.367 3.150 0.149) 14.709 8.897 ( 0.603 1.519 -5.976) 6.195 9.071 ( 1.518 2.322 -2.706) 3.875 9.147 ( -1.152 0.114 -0.945) 1.495 9.930 ( 1.463 -3.999 13.868) 14.506 10.444 ( 3.188 0.488 4.309) 5.382 10.723 ( -1.711 3.246 -3.788) 5.274 11.061 ( -5.263 -0.391 -3.819) 6.514 11.570 ( -0.608 0.751 0.061) 0.968 11.750 ( -0.623 3.643 1.798) 4.109 12.146 ( 0.245 -8.796 7.206) 11.374 12.348 ( 6.505 -1.438 -5.591) 8.697 12.575 ( 1.721 -1.098 0.360) 2.073 12.957 ( -0.508 -5.861 1.417) 6.051 13.284 ( 2.162 0.460 2.191) 3.113 13.585 ( -0.790 -1.549 -0.242) 1.755 13.686 ( -0.625 -0.950 9.544) 9.611 14.069 ( -0.407 1.672 -3.894) 4.257 14.277 ( 1.453 2.559 3.527) 4.593 14.642 ( -3.933 3.129 -5.389) 7.369 15.074 ( -3.834 4.152 4.202) 7.042 15.325 ( 10.408 9.939 2.199) 14.559 15.824 ( 15.770 8.900 1.153) 18.145 15.996 ( -0.179 -2.485 -2.485) 3.519 16.695 ( -19.159 9.346 4.540) 21.795 17.216 ( 21.366 2.551 -2.603) 21.675 17.503 ( 2.391 0.874 7.773) 8.179 18.041 ( 0.785 5.005 3.718) 6.284 18.171 ( -14.691 -0.577 -14.256) 20.479 18.641 ( -8.642 3.071 -5.320) 10.603 18.910 ( 0.629 -0.442 2.210) 2.339 19.376 ( 17.317 -5.819 -6.644) 19.439 19.824 ( 0.355 0.373 3.662) 3.698 20.036 ( 7.641 1.956 -1.108) 7.965 20.397 ( -6.846 3.679 3.690) 8.603 20.643 ( 1.839 -0.407 0.032) 1.884 20.700 ( -2.850 0.216 8.919) 9.366 21.337 ( 0.737 -9.653 -4.128) 10.525 ======================= Grid point 138 (59/172) ======================= q-point: ( 0.30 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 15.854 0.000 -3.176) 16.169 1.820 ( 15.744 0.000 14.780) 21.595 2.294 ( 18.596 0.000 -15.221) 24.031 2.531 ( 7.054 0.000 -7.871) 10.570 2.958 ( 2.479 0.000 -0.537) 2.537 3.067 ( 2.312 0.000 19.694) 19.829 3.232 ( 8.494 0.000 5.754) 10.259 3.322 ( -10.398 -0.000 -14.816) 18.101 3.398 ( -7.579 -0.000 4.234) 8.682 3.936 ( -11.900 -0.000 8.058) 14.371 4.044 ( 26.316 0.000 13.484) 29.570 4.054 ( -12.148 -0.000 -1.225) 12.210 4.225 ( -6.111 -0.000 -9.837) 11.581 4.785 ( 11.299 0.000 -16.494) 19.993 5.213 ( -7.030 -0.000 1.848) 7.269 5.221 ( -0.031 -0.000 -6.681) 6.681 5.483 ( -2.266 -0.000 -1.818) 2.905 5.851 ( -6.271 -0.000 0.433) 6.286 6.010 ( 7.297 0.000 -1.517) 7.454 6.019 ( -3.268 -0.000 0.943) 3.401 6.198 ( 7.489 0.000 12.648) 14.699 6.283 ( 5.758 0.000 -3.887) 6.947 6.369 ( -1.527 -0.000 -6.293) 6.476 6.404 ( 6.608 0.000 5.830) 8.812 6.712 ( -10.006 -0.000 1.273) 10.087 7.147 ( -4.947 -0.000 2.446) 5.518 7.353 ( 12.176 0.000 0.836) 12.205 7.569 ( -9.223 -0.000 -1.816) 9.400 7.584 ( -6.608 -0.000 -6.300) 9.130 7.839 ( 1.334 0.000 0.279) 1.362 8.001 ( 6.887 0.000 -2.438) 7.306 8.124 ( -5.804 -0.000 -2.425) 6.290 8.452 ( 1.238 0.000 -4.324) 4.498 8.454 ( 13.988 0.000 10.145) 17.279 8.672 ( -3.961 -0.000 7.080) 8.113 8.749 ( 4.642 0.000 -7.874) 9.141 9.096 ( -3.567 -0.000 2.902) 4.599 9.451 ( 13.487 0.000 -7.648) 15.504 10.313 ( -0.417 -0.000 -1.330) 1.394 10.574 ( 4.877 0.000 6.676) 8.268 10.760 ( 2.308 0.000 7.606) 7.948 11.005 ( 0.999 0.000 -4.229) 4.345 11.535 ( -0.682 -0.000 0.814) 1.062 11.615 ( 8.085 0.000 9.416) 12.411 12.357 ( -3.864 -0.000 -7.038) 8.029 12.663 ( 5.659 0.000 0.149) 5.661 12.933 ( -15.378 -0.000 -7.661) 17.181 13.013 ( -5.218 -0.000 6.124) 8.046 13.555 ( -4.867 -0.000 -4.891) 6.900 13.555 ( 4.676 0.000 1.944) 5.064 13.645 ( -9.202 -0.000 5.846) 10.902 13.689 ( -0.334 -0.000 0.778) 0.846 14.138 ( 3.084 0.000 2.810) 4.172 14.362 ( -0.655 -0.000 -5.092) 5.134 15.605 ( 0.501 0.000 1.774) 1.844 15.796 ( 11.690 0.000 -5.564) 12.946 16.254 ( 39.360 0.000 -1.067) 39.375 16.398 ( 30.707 0.000 3.546) 30.911 16.951 ( 0.152 0.000 0.062) 0.165 17.521 ( 6.595 0.000 0.686) 6.631 17.994 ( 10.386 0.000 -9.862) 14.322 18.111 ( -9.279 -0.000 -13.185) 16.123 18.267 ( 21.047 0.000 6.035) 21.895 18.309 ( -5.547 -0.000 6.075) 8.226 18.969 ( 5.249 0.000 6.689) 8.503 19.684 ( -2.580 -0.000 -6.440) 6.937 19.783 ( -20.647 -0.000 15.476) 25.803 19.880 ( 3.154 0.000 1.647) 3.558 20.422 ( 15.769 0.000 -25.778) 30.219 20.456 ( -10.859 -0.000 1.717) 10.994 21.045 ( 4.407 0.000 8.263) 9.365 21.468 ( -3.746 -0.000 1.621) 4.082 ======================= Grid point 139 (60/172) ======================= q-point: ( 0.40 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 12.237 -4.195 -3.677) 13.448 2.005 ( 8.480 -4.004 6.142) 11.210 2.414 ( 19.260 -1.749 -12.587) 23.075 2.578 ( 10.489 -0.299 0.093) 10.494 2.965 ( 4.792 0.743 -2.400) 5.411 3.120 ( -3.480 1.077 5.895) 6.930 3.188 ( -5.755 0.591 -9.549) 11.165 3.327 ( -6.479 0.334 1.717) 6.711 3.377 ( 3.195 -3.150 7.758) 8.962 3.824 ( -12.719 2.338 7.986) 15.199 4.013 ( -11.747 -5.906 -0.565) 13.160 4.124 ( 5.437 4.023 -16.409) 17.748 4.277 ( 11.455 1.597 19.126) 22.351 4.810 ( 12.695 1.361 -13.746) 18.761 5.143 ( -5.388 1.762 0.948) 5.747 5.226 ( 1.143 -2.090 -5.978) 6.435 5.503 ( -3.073 -5.061 1.703) 6.161 5.765 ( -10.964 1.575 -1.715) 11.209 5.928 ( 1.761 5.407 0.391) 5.700 6.102 ( 4.365 1.780 2.348) 5.267 6.216 ( 7.113 3.346 4.944) 9.286 6.311 ( -2.347 1.701 -6.051) 6.710 6.358 ( 3.896 -1.058 0.968) 4.152 6.536 ( 6.254 -5.015 5.927) 9.970 6.700 ( -2.485 -5.272 3.208) 6.653 7.128 ( -4.172 -0.808 3.879) 5.754 7.391 ( 0.279 3.409 -1.501) 3.735 7.499 ( -0.867 0.069 -1.741) 1.946 7.545 ( -6.616 -2.516 -1.177) 7.175 7.833 ( -0.438 0.700 -1.762) 1.946 8.005 ( 1.985 2.299 -2.541) 3.960 8.125 ( 1.377 -3.716 -3.207) 5.097 8.442 ( 1.073 0.452 -3.128) 3.338 8.595 ( 9.462 -1.217 3.909) 10.310 8.663 ( -3.738 0.131 6.080) 7.138 8.784 ( 4.889 -1.604 -2.982) 5.947 9.083 ( -3.678 -0.613 3.449) 5.079 9.514 ( 10.218 1.011 -5.512) 11.654 10.281 ( -0.367 2.613 -1.589) 3.081 10.633 ( 3.048 0.701 4.744) 5.682 10.784 ( -0.013 -0.464 3.429) 3.460 10.995 ( 0.759 0.204 -3.462) 3.550 11.530 ( -1.058 0.186 1.224) 1.628 11.775 ( 11.796 -2.600 14.286) 18.708 12.271 ( -8.026 0.376 -8.739) 11.871 12.567 ( -3.604 10.819 -0.183) 11.405 12.845 ( -2.687 -1.088 -4.178) 5.085 12.987 ( -4.972 0.785 5.568) 7.506 13.438 ( -3.872 4.644 -3.389) 6.931 13.566 ( 1.917 2.926 4.156) 5.432 13.626 ( -2.901 -1.612 -0.756) 3.404 13.762 ( 0.671 -5.405 0.658) 5.486 14.177 ( 0.752 -1.599 2.166) 2.795 14.379 ( 0.370 -3.479 -2.329) 4.203 15.591 ( -1.039 0.495 -4.670) 4.810 15.836 ( 4.891 -0.323 -8.051) 9.426 16.400 ( 37.635 12.031 1.210) 39.530 16.826 ( 19.431 -5.836 1.613) 20.352 16.987 ( 21.100 -4.366 2.465) 21.687 17.562 ( 4.169 1.275 -0.307) 4.370 17.810 ( -7.449 12.584 -11.045) 18.326 18.091 ( 4.839 -1.985 -2.704) 5.888 18.307 ( -6.850 -1.659 2.637) 7.526 18.438 ( 11.312 -0.230 5.248) 12.472 18.967 ( 4.296 6.751 5.780) 9.871 19.627 ( -3.729 0.267 -7.053) 7.983 19.761 ( -10.643 -6.505 10.804) 16.502 19.929 ( 1.190 -2.015 2.301) 3.282 20.302 ( -5.319 4.476 -4.545) 8.306 20.521 ( 5.460 -5.340 -14.235) 16.154 21.084 ( 3.213 3.212 8.558) 9.690 21.406 ( -3.273 4.218 1.561) 5.562 ======================= Grid point 140 (61/172) ======================= q-point: ( 0.50 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( 10.706 -3.260 -5.822) 12.615 2.133 ( 1.239 -5.335 2.654) 6.087 2.547 ( 13.400 -1.516 -7.054) 15.219 2.712 ( 15.617 -1.459 -2.395) 15.867 2.968 ( -8.111 -3.956 -6.847) 11.328 3.072 ( 8.647 2.106 -5.388) 10.403 3.127 ( -4.067 3.487 8.143) 9.747 3.254 ( -6.370 -0.425 -1.951) 6.676 3.475 ( -0.065 -1.862 5.695) 5.992 3.744 ( -8.624 1.641 10.455) 13.652 4.006 ( -3.768 -1.227 -13.653) 14.216 4.064 ( -0.741 -1.003 0.435) 1.321 4.352 ( 0.940 1.447 12.872) 12.987 4.828 ( 11.627 2.293 -10.741) 15.994 5.089 ( -2.659 0.908 0.791) 2.919 5.248 ( 1.262 -1.495 -6.271) 6.569 5.582 ( -10.790 1.409 5.670) 12.270 5.606 ( -3.189 -0.199 -4.726) 5.705 5.839 ( -0.631 7.047 4.870) 8.589 6.079 ( 4.324 3.455 6.448) 8.498 6.244 ( 5.275 2.414 -3.450) 6.749 6.269 ( 2.842 -1.340 -4.872) 5.797 6.425 ( 3.372 -2.987 2.609) 5.206 6.659 ( 1.509 -3.372 5.578) 6.691 6.861 ( 0.477 -9.115 0.612) 9.148 7.147 ( -3.253 -2.735 6.896) 8.100 7.287 ( -5.118 3.080 -2.637) 6.529 7.486 ( 2.013 3.194 0.341) 3.791 7.540 ( -4.247 -1.959 1.309) 4.857 7.811 ( -0.733 -0.058 -1.626) 1.785 7.972 ( 1.822 1.245 -4.906) 5.379 8.214 ( 5.547 -3.208 -0.251) 6.413 8.422 ( 1.575 1.824 -2.811) 3.703 8.630 ( -3.608 -0.492 2.391) 4.356 8.703 ( 4.064 -1.534 -0.534) 4.377 8.842 ( 2.813 -1.632 0.329) 3.269 9.093 ( -2.323 -1.613 4.275) 5.126 9.529 ( 4.694 2.824 -1.464) 5.671 10.203 ( -0.714 4.993 -1.730) 5.333 10.605 ( -0.278 4.036 0.242) 4.053 10.845 ( 1.790 -3.503 3.122) 5.022 10.980 ( 0.494 0.736 -2.425) 2.582 11.520 ( -1.981 0.057 1.076) 2.255 11.972 ( 10.986 -2.098 12.473) 16.753 12.165 ( -8.931 -0.656 -8.700) 12.486 12.339 ( -3.139 10.646 2.362) 11.348 12.813 ( 1.387 3.372 -2.505) 4.423 12.947 ( -2.239 3.179 5.576) 6.798 13.344 ( -1.857 1.550 -2.306) 3.342 13.548 ( 2.766 2.736 3.059) 4.949 13.604 ( -3.408 0.489 -2.881) 4.489 13.866 ( 1.066 -5.650 -2.111) 6.125 14.248 ( -0.953 -5.183 3.839) 6.520 14.446 ( 0.031 -3.926 0.586) 3.969 15.537 ( -0.937 1.264 -10.258) 10.378 15.828 ( 1.322 -0.083 -9.505) 9.597 16.480 ( 35.502 13.367 0.418) 37.937 16.879 ( 3.251 1.572 4.883) 6.073 17.431 ( -15.823 13.333 -2.885) 20.891 17.439 ( 28.720 -9.257 2.175) 30.253 17.526 ( 4.853 6.737 -4.838) 9.610 18.163 ( 5.816 0.387 6.308) 8.589 18.273 ( -9.403 -3.233 -4.007) 10.721 18.493 ( 3.469 2.303 3.341) 5.339 18.910 ( 5.334 4.628 3.000) 7.673 19.547 ( -3.017 2.661 -7.453) 8.469 19.889 ( -2.053 -8.150 4.526) 9.546 19.985 ( 0.123 -2.537 2.251) 3.394 20.174 ( -9.573 1.225 0.452) 9.662 20.588 ( 4.286 -3.575 -11.682) 12.946 21.053 ( 1.493 6.090 9.103) 11.054 21.291 ( -2.074 6.870 1.524) 7.336 ======================= Grid point 141 (62/172) ======================= q-point: ( 0.60 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( 7.678 0.861 -10.500) 13.036 2.257 ( 1.370 -4.134 5.026) 6.650 2.538 ( -4.793 2.806 -6.563) 8.597 2.836 ( 15.386 -2.136 -9.243) 18.076 2.963 ( -2.015 3.696 5.791) 7.160 3.099 ( -1.703 -4.192 -2.520) 5.179 3.125 ( 5.145 -2.809 -2.991) 6.581 3.251 ( 3.345 1.521 6.716) 7.655 3.493 ( -2.891 0.281 7.029) 7.605 3.696 ( -6.258 -0.027 4.188) 7.530 3.935 ( 0.713 1.505 -11.215) 11.338 4.090 ( -8.271 -4.194 3.027) 9.755 4.387 ( -0.445 -1.350 5.851) 6.021 4.831 ( 7.994 2.568 -7.614) 11.334 5.057 ( -2.664 2.244 1.335) 3.730 5.220 ( -2.779 1.594 -7.251) 7.927 5.387 ( -4.641 4.497 -1.035) 6.545 5.670 ( -0.106 -1.529 3.058) 3.421 5.727 ( 1.462 7.128 11.223) 13.376 6.100 ( -2.132 -2.502 -2.999) 4.450 6.261 ( 0.605 -1.729 -5.253) 5.563 6.302 ( 11.271 2.629 5.893) 12.987 6.520 ( 1.236 -3.612 2.565) 4.599 6.735 ( -1.086 -2.263 2.568) 3.591 6.938 ( -4.405 -3.924 -7.307) 9.391 7.213 ( -2.077 0.961 0.134) 2.292 7.233 ( 0.912 -3.685 4.900) 6.198 7.423 ( -3.121 3.083 2.187) 4.902 7.577 ( 2.341 -1.602 6.712) 7.287 7.809 ( -0.535 -0.400 -0.119) 0.679 7.949 ( 3.092 1.433 -5.198) 6.216 8.275 ( 0.777 2.011 3.341) 3.977 8.413 ( 6.491 -0.721 -3.964) 7.640 8.617 ( -5.429 -1.044 2.057) 5.899 8.736 ( 3.066 -0.105 -4.048) 5.079 8.888 ( -0.112 -2.517 -0.554) 2.579 9.129 ( -0.607 -1.513 4.038) 4.354 9.470 ( -1.947 5.459 2.151) 6.182 10.081 ( -1.363 7.129 -0.516) 7.277 10.529 ( 1.126 4.083 -0.588) 4.277 10.906 ( -1.364 -0.954 -0.923) 1.903 10.975 ( 0.861 -1.369 -0.646) 1.742 11.515 ( -1.234 -0.849 1.133) 1.878 12.057 ( -6.932 -2.494 -5.252) 9.047 12.097 ( 3.799 6.189 2.827) 7.793 12.221 ( 4.132 2.609 6.764) 8.345 12.733 ( 1.618 5.504 -2.630) 6.311 12.891 ( -0.673 4.086 6.528) 7.730 13.338 ( -0.601 -2.151 0.270) 2.250 13.522 ( 1.412 3.896 -1.271) 4.335 13.562 ( -1.417 -0.414 0.129) 1.482 13.955 ( 0.748 -5.077 -5.039) 7.193 14.339 ( -1.143 -2.757 4.812) 5.663 14.531 ( -1.032 -6.054 2.360) 6.579 15.452 ( -0.885 2.116 -13.640) 13.831 15.792 ( -0.206 0.244 -9.282) 9.287 16.493 ( 30.644 15.507 -0.626) 34.350 16.887 ( -6.074 6.664 2.707) 9.415 16.998 ( -15.753 9.967 2.610) 18.823 17.404 ( 2.088 7.885 -1.546) 8.302 17.751 ( 14.529 -0.672 2.088) 14.694 18.191 ( -5.513 -1.328 3.091) 6.458 18.306 ( 5.617 -5.182 -0.876) 7.692 18.455 ( -1.496 3.738 1.730) 4.382 18.932 ( 7.255 -0.480 -1.645) 7.455 19.415 ( -3.327 5.989 -7.841) 10.413 19.931 ( -3.008 2.575 1.258) 4.155 20.036 ( 0.581 -1.834 2.502) 3.156 20.208 ( -5.249 -10.940 3.977) 12.769 20.623 ( 1.619 -2.534 -9.363) 9.834 20.980 ( 0.617 7.027 9.717) 12.007 21.151 ( -0.543 8.024 1.055) 8.111 ======================= Grid point 142 (63/172) ======================= q-point: (-0.30 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 7.571 4.598 -10.228) 13.530 2.279 ( -2.557 4.292 3.527) 6.115 2.452 ( -6.582 -2.939 -3.321) 7.937 2.825 ( -2.437 9.982 9.973) 14.320 2.959 ( 8.349 -2.137 -7.721) 11.571 3.105 ( -0.259 -0.804 -6.540) 6.594 3.193 ( 1.080 7.557 4.749) 8.991 3.318 ( 6.278 -7.770 3.440) 10.565 3.490 ( -3.884 2.423 5.407) 7.085 3.675 ( -4.431 -2.098 -2.118) 5.341 3.918 ( 3.421 -2.956 -5.031) 6.764 4.099 ( -8.871 -3.858 2.483) 9.988 4.435 ( 1.639 -1.655 1.504) 2.772 4.775 ( 1.354 5.208 -6.012) 8.069 4.962 ( -1.788 3.661 2.775) 4.930 5.173 ( -4.664 -2.520 -5.005) 7.290 5.364 ( 2.232 -1.708 -1.464) 3.170 5.639 ( 3.646 4.722 7.909) 9.907 5.772 ( 4.022 -0.127 10.625) 11.362 6.092 ( -3.714 -1.261 -4.586) 6.035 6.265 ( 3.453 0.396 -3.086) 4.648 6.381 ( 5.165 -0.334 3.880) 6.469 6.576 ( -2.862 -2.300 2.263) 4.313 6.709 ( -4.452 1.985 -1.114) 5.000 6.931 ( -0.606 -0.890 -10.259) 10.316 7.176 ( -1.934 1.280 -3.787) 4.440 7.331 ( 3.063 -3.456 6.629) 8.079 7.376 ( -0.039 0.991 3.464) 3.603 7.662 ( 3.542 -0.439 8.357) 9.087 7.816 ( -0.112 -0.456 2.441) 2.486 7.929 ( 3.959 1.856 -4.587) 6.336 8.214 ( -4.252 2.969 3.981) 6.538 8.482 ( 4.836 -0.453 -3.087) 5.755 8.596 ( -2.183 -0.120 2.426) 3.266 8.732 ( 1.709 1.215 -2.649) 3.379 8.925 ( -1.955 -3.393 -3.136) 5.017 9.157 ( -0.096 -0.296 2.327) 2.348 9.327 ( -4.415 8.108 2.777) 9.641 9.948 ( -1.659 6.295 3.386) 7.338 10.488 ( 3.324 2.712 0.594) 4.330 10.868 ( -2.199 1.603 -2.869) 3.954 11.007 ( -3.141 -2.818 -2.208) 4.763 11.544 ( 1.397 -1.453 2.034) 2.864 11.990 ( -2.536 3.984 1.294) 4.897 12.019 ( -3.682 0.850 -4.328) 5.745 12.280 ( 7.468 0.903 3.515) 8.303 12.642 ( 1.390 4.466 -2.457) 5.283 12.857 ( -0.242 2.318 7.021) 7.398 13.386 ( -1.089 -1.403 2.810) 3.324 13.455 ( 1.238 1.657 -3.376) 3.959 13.588 ( 1.185 -1.560 1.997) 2.798 14.012 ( -0.149 -3.623 -6.674) 7.595 14.357 ( -0.992 0.984 4.217) 4.443 14.652 ( -0.658 -6.240 3.323) 7.101 15.340 ( -2.061 3.127 -13.289) 13.807 15.746 ( -0.413 1.123 -7.138) 7.237 16.423 ( -2.363 14.511 -1.571) 14.786 16.440 ( 3.499 18.655 -1.341) 19.028 16.982 ( -2.660 0.062 7.354) 7.821 17.304 ( 6.167 6.191 1.483) 8.863 17.741 ( -0.368 6.422 3.396) 7.274 18.152 ( -14.314 -4.382 -6.582) 16.353 18.355 ( -2.092 5.573 2.145) 6.327 18.530 ( 15.666 -6.044 5.449) 17.653 18.969 ( -8.522 -3.073 -7.928) 12.039 19.259 ( 10.005 8.299 -6.382) 14.481 19.865 ( -2.970 2.286 4.447) 5.816 20.072 ( 0.650 -0.444 2.525) 2.644 20.389 ( -0.969 -9.051 2.124) 9.347 20.627 ( -2.037 -1.432 -6.352) 6.823 20.916 ( -0.794 3.065 6.397) 7.137 21.021 ( 2.910 7.868 2.164) 8.664 ======================= Grid point 143 (64/172) ======================= q-point: (-0.20 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -1.653 8.977 -1.554) 9.260 2.125 ( -2.051 9.937 0.336) 10.152 2.437 ( -4.026 1.694 -0.658) 4.417 2.739 ( 6.752 2.851 10.952) 13.179 2.963 ( 1.761 6.149 -1.010) 6.475 3.039 ( 2.866 6.927 -1.536) 7.652 3.106 ( -6.587 0.230 -6.008) 8.918 3.286 ( -0.649 7.318 -4.448) 8.588 3.550 ( -0.467 -4.594 5.353) 7.070 3.705 ( -3.002 -6.435 -2.000) 7.377 3.995 ( 2.396 -0.101 3.147) 3.957 4.152 ( -0.812 -8.069 -0.647) 8.136 4.480 ( 2.047 -0.987 1.119) 2.533 4.704 ( 0.409 -0.119 -1.855) 1.903 4.962 ( 1.845 -1.626 3.118) 3.971 5.147 ( -6.501 -1.788 -5.718) 8.841 5.424 ( 0.579 -2.309 0.545) 2.442 5.642 ( 6.262 2.764 4.857) 8.394 5.838 ( 2.750 0.648 11.617) 11.955 6.061 ( -0.327 1.005 -3.029) 3.208 6.277 ( 3.658 1.492 0.118) 3.952 6.420 ( 1.418 -1.760 -5.305) 5.766 6.563 ( -8.385 -0.623 0.464) 8.421 6.648 ( 1.045 2.948 3.812) 4.931 6.849 ( -2.251 3.704 -10.841) 11.675 7.131 ( 2.589 0.848 -6.975) 7.489 7.340 ( -3.609 0.858 4.636) 5.938 7.507 ( 9.192 -3.258 7.256) 12.156 7.691 ( 1.642 1.654 3.200) 3.958 7.843 ( 3.650 0.920 3.363) 5.047 7.907 ( 2.668 1.632 -3.209) 4.481 8.173 ( -4.200 -0.216 6.440) 7.691 8.424 ( -7.345 3.386 -2.058) 8.346 8.612 ( 1.613 2.520 0.767) 3.088 8.712 ( 0.258 0.068 1.753) 1.773 8.942 ( 0.445 -1.380 -6.140) 6.309 9.146 ( -2.954 0.801 -0.527) 3.106 9.195 ( 4.340 6.176 2.722) 8.025 9.882 ( -1.434 1.985 7.787) 8.163 10.485 ( 3.649 1.787 2.857) 4.967 10.805 ( -2.930 1.511 -4.280) 5.403 11.004 ( -4.769 -2.146 -3.818) 6.475 11.590 ( 2.841 -0.195 3.523) 4.530 11.908 ( -0.309 5.018 3.275) 6.000 11.970 ( -6.169 -2.266 -4.884) 8.188 12.328 ( 7.260 0.634 -0.581) 7.311 12.589 ( 1.721 2.078 -1.213) 2.959 12.855 ( -1.019 0.141 4.215) 4.338 13.348 ( 0.339 2.998 -0.893) 3.146 13.500 ( 0.859 -3.542 0.230) 3.652 13.639 ( 0.400 -1.813 3.982) 4.393 14.034 ( -0.200 -2.398 -6.016) 6.479 14.343 ( -0.075 1.573 3.635) 3.962 14.739 ( 0.981 -1.584 1.114) 2.170 15.209 ( -4.641 3.751 -5.786) 8.312 15.666 ( -1.468 5.638 -3.936) 7.031 16.018 ( -17.416 7.312 -2.788) 19.093 16.326 ( 24.751 17.329 -1.869) 30.272 16.925 ( -9.717 3.703 5.499) 11.763 17.311 ( 12.252 2.982 2.572) 12.869 17.627 ( -1.651 5.890 4.749) 7.745 18.075 ( -15.819 -4.331 -8.402) 18.428 18.247 ( -1.249 5.938 3.104) 6.816 18.756 ( 10.821 -1.025 -0.653) 10.889 18.799 ( -21.320 -1.700 -4.559) 21.868 19.292 ( 21.685 1.960 -7.012) 22.875 19.843 ( -1.395 0.798 6.171) 6.377 20.086 ( 2.403 0.875 1.731) 3.088 20.481 ( -3.607 -1.903 0.427) 4.101 20.607 ( -0.239 -0.602 -0.462) 0.796 20.853 ( -1.507 5.910 1.597) 6.305 21.021 ( 3.819 -4.210 2.059) 6.045 ======================= Grid point 144 (65/172) ======================= q-point: (-0.10 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( -16.156 15.285 1.076) 22.267 1.994 ( 8.716 11.342 9.226) 17.021 2.356 ( 11.511 8.507 -2.798) 14.584 2.769 ( -4.091 10.174 -1.749) 11.104 2.867 ( -2.110 5.778 -6.054) 8.631 2.899 ( 9.228 -0.276 13.952) 16.730 3.053 ( 2.194 0.099 -3.076) 3.779 3.252 ( 1.944 -2.638 -7.989) 8.635 3.560 ( -4.064 1.753 7.403) 8.625 3.797 ( -5.814 -6.303 -0.894) 8.621 3.983 ( -2.003 1.648 2.073) 3.320 4.325 ( 6.030 -7.143 -0.786) 9.381 4.497 ( -0.954 0.453 2.122) 2.370 4.758 ( 1.547 -3.807 -2.358) 4.738 5.062 ( 0.745 -4.883 4.074) 6.403 5.111 ( -4.520 -4.232 -1.097) 6.288 5.420 ( -3.628 1.073 0.203) 3.789 5.673 ( 7.750 2.063 -0.329) 8.027 5.891 ( 0.863 -0.093 8.754) 8.797 6.018 ( 1.089 2.592 -4.652) 5.436 6.269 ( 2.907 2.412 2.651) 4.615 6.413 ( -1.120 0.916 -4.881) 5.091 6.487 ( -6.866 1.608 -0.219) 7.055 6.653 ( -0.770 -1.758 -1.314) 2.326 6.715 ( 2.137 7.024 -3.466) 8.119 7.154 ( 8.077 -1.961 -5.897) 10.191 7.306 ( -2.252 1.949 2.353) 3.796 7.585 ( -0.923 1.742 4.064) 4.517 7.696 ( 1.562 -0.063 1.962) 2.508 7.848 ( 8.399 2.523 -8.397) 12.142 7.931 ( 5.690 0.317 9.130) 10.763 8.196 ( -1.431 -1.524 6.006) 6.359 8.267 ( -9.870 5.113 -0.173) 11.117 8.522 ( -6.080 3.826 2.222) 7.520 8.738 ( -0.406 -1.015 -0.566) 1.231 8.946 ( 7.521 1.351 -8.637) 11.532 9.120 ( -0.042 0.180 -0.251) 0.312 9.170 ( 6.718 3.800 2.324) 8.060 9.921 ( -0.292 -3.039 10.261) 10.706 10.502 ( 2.544 1.126 5.668) 6.314 10.730 ( -3.838 1.603 -6.843) 8.008 10.989 ( -2.245 -1.479 -3.378) 4.317 11.615 ( 2.850 1.891 4.403) 5.575 11.824 ( -1.593 4.918 1.540) 5.394 11.990 ( -4.270 -7.145 -1.796) 8.515 12.382 ( 7.607 -0.508 -1.190) 7.717 12.587 ( 2.488 0.061 1.198) 2.762 12.869 ( -1.737 -2.730 -1.438) 3.541 13.316 ( 1.300 0.999 0.237) 1.657 13.546 ( -0.680 -1.636 -2.154) 2.789 13.688 ( -1.269 -1.632 7.182) 7.474 14.050 ( 0.242 -1.307 -4.280) 4.482 14.336 ( 0.857 1.266 4.043) 4.322 14.690 ( -1.419 6.214 -5.689) 8.543 15.125 ( -2.096 1.709 5.745) 6.350 15.531 ( 2.745 6.265 0.514) 6.859 15.889 ( -6.958 -2.984 -4.143) 8.631 16.225 ( 25.228 15.628 -1.676) 29.723 16.754 ( -9.790 8.184 4.095) 13.401 17.393 ( 14.650 0.903 -0.469) 14.685 17.574 ( 0.035 2.031 8.109) 8.360 17.980 ( -13.378 -1.984 -9.177) 16.343 18.160 ( 0.507 4.968 3.589) 6.150 18.550 ( -17.626 1.430 -6.825) 18.955 18.906 ( 4.908 -2.083 1.171) 5.459 19.424 ( 17.124 -1.682 -7.578) 18.802 19.852 ( -0.229 0.580 5.342) 5.379 20.108 ( 6.159 0.422 -0.750) 6.219 20.427 ( -5.046 2.876 1.170) 5.925 20.651 ( 1.889 -1.951 2.968) 4.023 20.745 ( -1.833 5.045 3.523) 6.421 21.167 ( 1.517 -8.618 -2.487) 9.097 ======================= Grid point 149 (66/172) ======================= q-point: ( 0.40 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 9.703 0.000 -2.993) 10.155 2.043 ( 5.936 0.000 0.154) 5.938 2.517 ( 19.512 0.000 -10.928) 22.364 2.658 ( 10.057 0.000 1.445) 10.161 2.885 ( -12.945 -0.000 -10.682) 16.783 3.160 ( -5.281 -0.000 7.726) 9.358 3.174 ( 11.422 0.000 -5.403) 12.635 3.276 ( -9.793 -0.000 -0.010) 9.793 3.419 ( 6.349 0.000 7.428) 9.772 3.782 ( -10.873 -0.000 8.206) 13.622 3.838 ( -13.080 -0.000 -0.355) 13.085 4.092 ( -1.975 -0.000 -9.112) 9.323 4.535 ( 18.639 0.000 10.565) 21.425 4.880 ( 13.638 0.000 -11.700) 17.969 5.127 ( -3.726 -0.000 0.112) 3.728 5.202 ( 3.124 0.000 -4.575) 5.540 5.418 ( -5.301 -0.000 2.649) 5.926 5.670 ( -13.105 -0.000 -1.341) 13.173 5.964 ( -1.796 -0.000 -5.138) 5.443 6.155 ( 7.486 0.000 2.415) 7.865 6.299 ( 2.140 0.000 -7.996) 8.277 6.370 ( 5.847 0.000 1.513) 6.039 6.398 ( 3.171 0.000 14.020) 14.374 6.564 ( 6.087 0.000 6.192) 8.683 6.611 ( -5.685 -0.000 2.785) 6.330 7.108 ( -3.254 -0.000 4.995) 5.962 7.367 ( -10.066 -0.000 0.440) 10.076 7.466 ( -3.683 -0.000 -0.397) 3.704 7.552 ( 7.690 0.000 0.712) 7.723 7.817 ( -1.792 -0.000 -4.647) 4.980 8.013 ( -2.194 -0.000 -6.399) 6.765 8.100 ( 5.770 0.000 0.015) 5.770 8.433 ( -0.247 -0.000 -1.826) 1.843 8.652 ( 5.652 0.000 -0.836) 5.713 8.664 ( -2.851 -0.000 4.126) 5.015 8.805 ( 4.536 0.000 0.603) 4.576 9.064 ( -3.524 -0.000 4.754) 5.918 9.585 ( 9.722 0.000 -5.027) 10.944 10.290 ( -0.775 -0.000 -3.166) 3.260 10.676 ( 0.260 0.000 2.195) 2.210 10.770 ( -1.524 -0.000 1.999) 2.514 10.993 ( 1.494 0.000 -2.970) 3.325 11.534 ( -0.606 -0.000 1.528) 1.644 11.924 ( 12.405 0.000 16.793) 20.878 12.143 ( -12.634 -0.000 -7.839) 14.868 12.730 ( -3.332 -0.000 -2.171) 3.977 12.735 ( 2.367 0.000 1.262) 2.683 12.964 ( -5.679 -0.000 6.018) 8.275 13.434 ( -3.729 -0.000 -8.123) 8.938 13.594 ( 0.700 0.000 -1.903) 2.028 13.625 ( -2.139 -0.000 9.977) 10.203 13.718 ( 1.648 0.000 0.711) 1.795 14.194 ( 1.449 0.000 1.570) 2.137 14.331 ( 1.330 0.000 -3.542) 3.783 15.556 ( -1.431 -0.000 -9.389) 9.498 15.822 ( 2.775 0.000 -12.464) 12.769 16.823 ( 15.484 0.000 5.213) 16.338 16.965 ( 32.641 0.000 -0.148) 32.642 17.099 ( 26.739 0.000 4.216) 27.069 17.609 ( 3.522 0.000 0.161) 3.526 17.812 ( -15.628 -0.000 -11.426) 19.359 18.035 ( 3.329 0.000 -11.746) 12.208 18.265 ( -6.610 -0.000 11.059) 12.884 18.543 ( 6.749 0.000 3.581) 7.640 19.122 ( 7.065 0.000 4.618) 8.440 19.496 ( -15.055 -0.000 1.476) 15.127 19.691 ( -3.479 -0.000 6.491) 7.365 19.943 ( 3.301 0.000 0.568) 3.349 20.274 ( -12.706 -0.000 1.693) 12.818 20.466 ( 12.781 0.000 -20.713) 24.339 21.179 ( 3.145 0.000 9.737) 10.233 21.426 ( -3.008 -0.000 2.507) 3.916 ======================= Grid point 150 (67/172) ======================= q-point: ( 0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 8.511 -4.886 0.336) 9.819 2.084 ( 2.687 -0.978 -2.190) 3.602 2.605 ( 6.849 1.255 -12.115) 13.973 2.747 ( -8.117 -6.017 -8.254) 13.047 2.785 ( 13.077 -1.834 -4.988) 14.116 3.112 ( -6.449 0.499 -4.062) 7.638 3.166 ( -10.486 2.407 4.356) 11.607 3.278 ( 14.351 0.665 2.591) 14.598 3.482 ( 1.769 0.433 4.707) 5.047 3.720 ( -10.893 0.316 9.187) 14.253 3.821 ( -6.799 -5.392 0.800) 8.714 4.056 ( -0.841 -1.450 -8.362) 8.529 4.564 ( 6.123 11.117 9.203) 15.677 4.934 ( 12.919 1.948 -9.650) 16.242 5.097 ( 0.823 1.080 -1.449) 1.986 5.224 ( 2.996 -0.896 -4.478) 5.462 5.462 ( -7.194 -6.163 6.125) 11.281 5.566 ( -6.230 0.462 -1.923) 6.537 5.900 ( -3.112 2.505 -4.356) 5.910 6.190 ( -2.617 -1.206 -6.931) 7.506 6.262 ( 6.801 7.191 7.260) 12.275 6.407 ( 7.640 2.059 3.650) 8.714 6.433 ( 3.183 0.957 7.275) 7.998 6.622 ( -1.345 -2.996 3.953) 5.139 6.704 ( -2.298 -7.519 3.856) 8.757 7.118 ( -2.135 -1.074 6.549) 6.972 7.289 ( -3.607 1.411 1.316) 4.091 7.472 ( -2.966 -1.782 2.828) 4.469 7.570 ( 2.498 2.242 -0.886) 3.471 7.791 ( 0.339 -0.430 -4.113) 4.149 7.977 ( 1.510 0.406 -6.436) 6.623 8.182 ( 3.907 -4.114 0.562) 5.701 8.429 ( 0.325 -0.166 -2.049) 2.081 8.634 ( -2.529 2.012 2.808) 4.281 8.687 ( 0.824 -1.555 -3.035) 3.508 8.846 ( 2.490 -0.663 0.310) 2.595 9.070 ( -2.517 -1.104 6.379) 6.946 9.619 ( 7.091 2.487 -2.267) 7.849 10.245 ( -1.566 2.228 -4.315) 5.103 10.638 ( -3.318 1.296 -3.524) 5.011 10.805 ( -0.140 -2.118 3.827) 4.376 10.993 ( 1.907 0.586 -1.959) 2.796 11.528 ( -0.764 0.845 1.859) 2.181 11.951 ( -12.016 -1.820 -8.709) 14.951 12.162 ( 10.533 -0.217 17.237) 20.202 12.548 ( 0.351 11.750 3.503) 12.266 12.838 ( 1.835 -1.752 -0.706) 2.634 12.959 ( -3.768 -1.007 6.231) 7.351 13.347 ( -2.263 2.261 -6.642) 7.372 13.575 ( -1.791 0.741 -2.230) 2.955 13.636 ( 1.726 2.024 4.935) 5.606 13.784 ( 0.541 -4.635 1.511) 4.905 14.192 ( -0.463 -0.536 1.281) 1.464 14.383 ( 1.411 -3.906 -0.955) 4.261 15.496 ( -0.823 0.515 -13.589) 13.624 15.784 ( 1.185 -0.240 -15.469) 15.516 16.900 ( 7.396 1.498 7.152) 10.397 17.038 ( 24.170 11.981 0.902) 26.992 17.475 ( -9.336 7.427 -0.488) 11.940 17.517 ( 14.094 -4.454 0.567) 14.792 17.648 ( 7.625 1.367 -6.207) 9.926 18.041 ( -9.429 -5.621 -8.791) 14.063 18.270 ( 1.292 1.025 10.158) 10.291 18.564 ( 0.215 1.687 1.234) 2.101 19.060 ( -1.109 8.485 4.902) 9.862 19.497 ( -2.929 -5.234 -5.434) 8.094 19.735 ( -3.193 -5.599 8.923) 11.008 19.978 ( 2.544 -1.046 -0.030) 2.751 20.148 ( -9.390 3.377 0.319) 9.984 20.520 ( 8.616 -3.143 -15.694) 18.177 21.203 ( 1.956 4.217 10.764) 11.725 21.382 ( -1.758 3.934 2.915) 5.203 ======================= Grid point 151 (68/172) ======================= q-point: (-0.40 -0.60 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 2.923 -0.737 -3.436) 4.571 2.184 ( 3.299 -5.753 3.587) 7.540 2.454 ( -13.590 1.104 -14.554) 19.943 2.857 ( 13.024 -4.481 -13.521) 19.301 2.958 ( 8.533 -6.912 -0.107) 10.982 3.025 ( -7.397 -2.020 -9.246) 12.012 3.073 ( -8.772 2.761 9.181) 12.995 3.405 ( 14.195 1.155 8.673) 16.675 3.483 ( -1.418 -0.318 -0.887) 1.703 3.658 ( -11.436 1.169 10.452) 15.537 3.865 ( -1.752 -2.920 -3.167) 4.651 4.044 ( -1.186 -0.466 -5.915) 6.051 4.440 ( -1.220 6.158 9.282) 11.205 4.936 ( 9.511 3.857 -8.219) 13.148 5.080 ( 2.617 1.965 -2.272) 3.984 5.222 ( 0.186 1.603 -4.467) 4.750 5.409 ( -7.908 3.147 1.895) 8.719 5.634 ( 2.972 -4.641 2.780) 6.173 5.820 ( -2.923 1.085 -0.855) 3.232 6.097 ( -3.876 3.543 -3.398) 6.254 6.272 ( 6.396 2.312 5.948) 9.035 6.445 ( 1.792 0.119 5.228) 5.528 6.494 ( 4.664 0.511 6.925) 8.365 6.668 ( -3.547 -3.490 0.332) 4.987 6.793 ( -4.794 -5.712 -1.121) 7.541 7.149 ( -3.674 -1.427 3.685) 5.396 7.297 ( 6.564 0.064 3.296) 7.345 7.433 ( -4.626 2.078 -0.741) 5.126 7.608 ( 3.971 -2.253 8.372) 9.537 7.794 ( 0.899 -0.392 -2.825) 2.990 7.967 ( 3.041 0.325 -5.648) 6.423 8.284 ( -0.076 -3.085 2.513) 3.980 8.422 ( 2.820 0.024 -5.761) 6.414 8.591 ( -3.040 1.116 4.482) 5.530 8.698 ( -2.481 -2.324 -5.087) 6.118 8.866 ( 1.460 -0.144 -0.844) 1.692 9.109 ( -1.864 -2.000 6.602) 7.146 9.585 ( 3.073 5.857 1.021) 6.693 10.155 ( -2.312 4.075 -4.689) 6.629 10.580 ( -0.853 1.460 -3.132) 3.559 10.834 ( -5.042 -2.155 -0.353) 5.494 10.988 ( 2.265 1.086 -0.984) 2.698 11.519 ( 0.310 0.308 2.623) 2.659 11.874 ( -10.582 -3.933 -7.882) 13.769 12.303 ( 10.135 1.890 13.196) 16.746 12.368 ( 0.834 10.782 6.009) 12.371 12.820 ( 0.628 3.865 -0.917) 4.022 12.967 ( -0.461 1.669 5.841) 6.092 13.300 ( -0.474 -0.762 -2.465) 2.623 13.532 ( -1.887 0.967 -3.265) 3.893 13.620 ( 1.867 2.807 2.534) 4.218 13.871 ( 1.929 -3.719 -1.319) 4.392 14.257 ( -1.872 -6.203 4.055) 7.644 14.449 ( -0.460 -3.229 0.423) 3.289 15.419 ( 0.393 1.267 -16.336) 16.390 15.730 ( -0.453 -0.741 -16.637) 16.660 16.934 ( -2.058 11.028 1.217) 11.285 16.969 ( -1.235 3.483 6.934) 7.857 17.098 ( 3.666 15.670 -1.975) 16.213 17.541 ( 1.263 5.121 -1.630) 5.520 17.846 ( 13.739 -2.156 0.905) 13.937 17.973 ( -21.494 -4.539 -4.786) 22.483 18.371 ( 12.703 -1.953 9.074) 15.732 18.510 ( -3.290 2.835 0.019) 4.343 18.935 ( -7.120 2.807 0.194) 7.656 19.499 ( 6.310 3.178 -6.997) 9.943 19.898 ( -0.882 -8.054 4.247) 9.147 20.005 ( -7.536 -3.884 1.114) 8.551 20.054 ( 2.343 1.535 2.264) 3.602 20.567 ( 4.648 -2.082 -11.360) 12.449 21.151 ( -0.642 7.314 10.922) 13.161 21.292 ( 1.003 6.533 2.727) 7.150 ======================= Grid point 152 (69/172) ======================= q-point: (-0.30 -0.60 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 0.387 0.149 -3.155) 3.182 2.236 ( -5.856 -1.540 -8.108) 10.120 2.341 ( -7.432 -2.324 1.534) 7.937 2.921 ( 1.650 0.592 -4.999) 5.298 2.979 ( -4.341 -3.866 -10.769) 12.238 3.004 ( 0.772 2.680 2.405) 3.683 3.183 ( 3.969 -9.778 -0.845) 10.587 3.463 ( 5.741 7.491 12.088) 15.336 3.484 ( -2.422 -2.800 -7.297) 8.182 3.592 ( -8.656 2.448 13.932) 16.584 3.886 ( 6.393 -2.098 -5.855) 8.919 4.018 ( -3.461 -1.551 -2.380) 4.477 4.433 ( 0.666 -0.929 5.724) 5.837 4.872 ( 4.891 6.396 -9.993) 12.834 5.051 ( 0.900 3.547 1.581) 3.986 5.113 ( -5.004 3.885 -1.560) 6.524 5.361 ( 2.356 -0.428 -0.448) 2.436 5.707 ( 0.865 -0.417 2.088) 2.298 5.838 ( 1.487 -2.418 2.580) 3.836 6.028 ( -2.330 0.118 0.428) 2.372 6.302 ( 5.906 1.930 1.958) 6.514 6.454 ( -2.956 0.200 1.868) 3.503 6.521 ( -2.245 0.745 7.490) 7.854 6.696 ( -0.686 -1.478 1.764) 2.401 6.849 ( -0.980 -4.032 -4.693) 6.264 7.111 ( -6.131 0.027 -5.638) 8.329 7.355 ( -2.139 -0.050 4.864) 5.313 7.433 ( 10.818 -0.727 4.390) 11.698 7.724 ( 4.990 -0.652 9.145) 10.438 7.802 ( -0.097 -1.886 1.021) 2.147 7.964 ( 3.338 0.653 -4.984) 6.034 8.251 ( -4.787 3.830 2.056) 6.467 8.447 ( -1.030 -2.465 -6.021) 6.587 8.602 ( 1.804 -0.898 4.770) 5.178 8.686 ( -6.322 -2.340 -4.688) 8.211 8.880 ( 2.514 -0.570 -1.781) 3.133 9.147 ( -2.341 -1.208 4.995) 5.647 9.480 ( 1.816 8.406 2.713) 9.017 10.034 ( -3.046 4.998 -2.707) 6.449 10.555 ( 2.576 1.460 -0.378) 2.984 10.794 ( -9.775 -1.697 -4.818) 11.030 10.984 ( 1.970 1.107 -0.650) 2.352 11.555 ( 3.085 -1.260 3.997) 5.204 11.841 ( -8.373 -3.879 -6.775) 11.447 12.206 ( 1.020 10.577 7.583) 13.054 12.383 ( 6.764 1.849 5.542) 8.938 12.729 ( -0.072 5.417 -1.342) 5.582 12.941 ( 0.692 3.652 5.780) 6.872 13.338 ( 0.103 -3.121 1.984) 3.700 13.485 ( -0.539 1.809 -4.164) 4.572 13.604 ( 1.406 0.988 1.631) 2.370 13.935 ( 2.322 -2.861 -4.249) 5.624 14.354 ( -1.590 -2.734 4.271) 5.315 14.525 ( -1.905 -7.140 2.678) 7.860 15.329 ( 1.826 2.521 -16.119) 16.417 15.679 ( -1.887 -1.917 -14.973) 15.213 16.474 ( -29.908 15.314 -1.257) 33.624 16.943 ( 15.686 11.745 0.930) 19.618 17.014 ( 6.295 6.227 6.294) 10.863 17.463 ( 4.756 5.292 1.197) 7.215 17.808 ( -18.949 0.756 3.056) 19.209 17.913 ( -6.223 -1.868 -4.444) 7.871 18.417 ( -5.005 3.415 0.275) 6.065 18.578 ( 10.294 -4.416 8.023) 13.778 18.824 ( -10.728 0.396 -6.701) 12.655 19.468 ( 14.033 5.671 -6.924) 16.644 19.891 ( -3.366 1.748 1.510) 4.082 20.087 ( 2.956 -0.808 3.813) 4.892 20.180 ( -1.477 -12.605 2.134) 12.870 20.580 ( 1.845 -0.888 -7.099) 7.389 21.026 ( -4.496 7.718 7.194) 11.469 21.205 ( 4.951 7.740 3.766) 9.930 ======================= Grid point 153 (70/172) ======================= q-point: (-0.20 -0.60 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.016 ( -15.071 5.428 -0.304) 16.021 2.185 ( -1.558 -0.793 -6.115) 6.360 2.383 ( 2.361 -3.941 4.351) 6.328 2.887 ( -0.057 3.400 8.128) 8.810 2.954 ( -3.537 -0.315 -11.856) 12.376 2.976 ( -2.227 -1.466 -9.681) 10.042 3.237 ( -1.159 6.162 -0.969) 6.344 3.452 ( 2.173 5.666 5.008) 7.868 3.500 ( -11.938 -6.074 -2.939) 13.713 3.508 ( 4.003 -0.087 9.398) 10.216 3.995 ( 0.053 -2.602 0.561) 2.662 4.068 ( 10.296 -5.712 -2.083) 11.957 4.487 ( 2.226 -1.241 3.530) 4.354 4.742 ( 0.939 5.248 -5.658) 7.774 4.997 ( 1.248 2.799 5.310) 6.131 5.057 ( -4.668 -0.900 -3.779) 6.073 5.419 ( 4.768 -1.503 0.580) 5.033 5.702 ( -0.450 0.561 -1.049) 1.271 5.898 ( 0.331 -1.875 3.200) 3.724 6.058 ( 2.422 -1.542 3.310) 4.382 6.311 ( 4.269 1.670 -1.764) 4.912 6.420 ( -0.986 0.948 -2.860) 3.170 6.494 ( -7.531 0.878 5.967) 9.648 6.717 ( 0.040 1.725 6.245) 6.479 6.840 ( -0.873 0.750 -7.247) 7.337 7.073 ( -1.280 -3.382 -7.915) 8.702 7.353 ( -2.034 0.513 5.163) 5.573 7.572 ( 9.844 -1.129 5.653) 11.408 7.740 ( 0.827 1.490 -0.689) 1.838 7.898 ( 4.663 -2.333 11.119) 12.281 7.949 ( 4.086 1.903 -6.807) 8.165 8.160 ( -5.574 1.829 4.351) 7.304 8.407 ( -5.576 1.153 -4.316) 7.145 8.621 ( -10.708 0.183 -2.778) 11.064 8.668 ( 1.685 -2.141 2.040) 3.404 8.920 ( 4.865 -1.508 -2.774) 5.800 9.144 ( -2.347 0.774 1.815) 3.066 9.376 ( 5.643 7.455 3.850) 10.111 9.929 ( -3.364 3.066 1.237) 4.717 10.559 ( 3.296 1.823 3.704) 5.282 10.717 ( -9.930 -2.077 -8.070) 12.964 10.975 ( 1.623 1.039 -0.892) 2.124 11.631 ( 4.505 -1.223 5.446) 7.173 11.814 ( -7.248 -3.376 -6.584) 10.357 12.064 ( -1.308 8.621 6.092) 10.637 12.409 ( 6.074 1.998 0.959) 6.466 12.644 ( 0.400 3.462 0.059) 3.485 12.897 ( -0.645 3.558 3.427) 4.981 13.383 ( -0.740 0.810 0.380) 1.161 13.450 ( 1.199 -1.748 -3.253) 3.883 13.625 ( 0.215 -1.400 2.391) 2.779 13.979 ( 2.490 -2.131 -4.628) 5.671 14.368 ( -1.379 0.314 2.605) 2.964 14.673 ( -0.041 -7.457 4.285) 8.600 15.230 ( 1.064 4.074 -10.106) 10.948 15.646 ( -2.335 -1.795 -10.590) 10.992 16.000 ( -24.132 10.719 -2.210) 26.498 16.845 ( 24.434 17.439 -1.605) 30.062 16.942 ( -8.371 3.674 7.052) 11.546 17.451 ( 7.438 3.063 2.272) 8.359 17.665 ( -17.544 -0.684 3.431) 17.890 17.863 ( -6.902 -1.272 -2.824) 7.565 18.317 ( -4.917 3.442 1.353) 6.153 18.587 ( -20.070 -0.109 -4.910) 20.662 18.824 ( 11.366 -1.866 0.558) 11.531 19.479 ( 17.030 4.123 -8.414) 19.437 19.863 ( -2.339 0.267 5.068) 5.588 20.130 ( 4.377 0.635 2.292) 4.982 20.362 ( -3.391 -8.281 0.349) 8.955 20.587 ( 0.985 -1.089 -1.793) 2.318 20.907 ( -3.980 3.401 3.486) 6.290 21.120 ( 4.875 7.668 2.712) 9.483 ======================= Grid point 154 (71/172) ======================= q-point: (-0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -17.655 9.768 0.164) 20.178 2.199 ( 5.639 1.095 4.243) 7.142 2.518 ( 9.901 -1.651 2.583) 10.365 2.756 ( -9.598 6.785 -10.560) 15.801 2.907 ( -2.759 -1.717 -1.940) 3.784 2.976 ( -0.561 -2.305 1.349) 2.729 3.096 ( 4.130 7.221 -5.892) 10.194 3.333 ( 3.705 7.846 4.447) 9.750 3.502 ( -9.606 -4.259 -0.469) 10.518 3.647 ( -0.816 -5.677 6.851) 8.935 4.002 ( -0.524 0.520 -2.032) 2.162 4.275 ( 10.525 -6.181 0.556) 12.218 4.524 ( 0.237 0.626 3.728) 3.788 4.704 ( 0.540 -1.625 -0.387) 1.755 5.015 ( -3.604 -1.332 2.119) 4.388 5.033 ( 0.937 -1.871 1.141) 2.384 5.444 ( 0.822 2.102 1.201) 2.556 5.711 ( 3.004 -2.264 -5.466) 6.635 5.930 ( 0.131 0.339 3.454) 3.473 6.083 ( 1.009 2.935 0.434) 3.134 6.305 ( 1.287 0.920 -1.397) 2.110 6.388 ( 0.851 1.066 -4.868) 5.056 6.433 ( -6.685 -0.714 -0.582) 6.748 6.657 ( -4.248 3.369 2.767) 6.087 6.837 ( 5.814 1.649 3.835) 7.158 7.126 ( 4.931 -3.914 -8.070) 10.235 7.338 ( -1.035 1.823 3.690) 4.244 7.616 ( -2.073 2.162 4.254) 5.202 7.716 ( 1.139 0.955 -3.512) 3.814 7.906 ( 3.704 2.066 -7.665) 8.761 8.039 ( 7.827 -1.429 11.346) 13.858 8.145 ( -3.325 -1.282 6.533) 7.442 8.305 ( -3.733 3.402 -3.736) 6.282 8.488 ( -13.673 1.354 -2.039) 13.890 8.716 ( 1.266 -0.945 0.570) 1.680 8.967 ( 4.058 -0.528 -4.811) 6.316 9.123 ( 0.309 0.483 0.462) 0.736 9.339 ( 8.097 5.375 4.716) 10.802 9.898 ( -3.031 -1.461 4.601) 5.700 10.560 ( -2.026 1.215 6.381) 6.805 10.659 ( -2.533 -1.308 -8.690) 9.146 10.971 ( 1.659 0.378 -1.237) 2.104 11.690 ( 2.458 0.912 4.650) 5.338 11.818 ( -2.742 -5.216 -4.429) 7.371 11.931 ( -3.346 6.477 4.759) 8.706 12.434 ( 5.945 0.531 -0.844) 6.028 12.620 ( 1.548 0.811 2.268) 2.863 12.833 ( -2.813 1.945 -2.865) 4.461 13.339 ( -0.217 1.548 -2.293) 2.775 13.500 ( 0.500 -2.415 -2.198) 3.304 13.667 ( -1.233 -2.167 4.453) 5.103 14.016 ( 2.319 -1.565 -3.375) 4.384 14.365 ( -0.558 0.139 3.506) 3.552 14.752 ( 1.077 1.872 -3.126) 3.799 15.146 ( -2.660 1.168 3.731) 4.729 15.609 ( 1.514 1.383 -2.997) 3.632 15.759 ( -10.491 -0.747 -4.551) 11.460 16.710 ( 17.228 16.112 -0.711) 23.600 16.840 ( 0.707 5.884 2.909) 6.601 17.462 ( -1.253 -0.728 -0.465) 1.522 17.593 ( -6.659 -0.738 3.320) 7.477 17.847 ( -2.390 -1.479 0.623) 2.879 18.233 ( -3.585 2.928 1.745) 4.947 18.396 ( -15.478 0.761 -5.564) 16.466 18.926 ( 5.602 -1.018 -0.701) 5.737 19.520 ( 13.630 1.657 -8.784) 16.300 19.876 ( -1.055 -0.278 6.363) 6.456 20.155 ( 4.534 0.870 -0.813) 4.688 20.409 ( -4.138 -1.296 0.995) 4.449 20.628 ( 0.224 -2.562 3.188) 4.096 20.847 ( -0.808 4.263 1.335) 4.540 21.075 ( 1.814 -0.548 -0.651) 2.004 ======================= Grid point 160 (72/172) ======================= q-point: (-0.50 -0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 7.632 0.000 3.992) 8.613 2.084 ( -1.641 -0.000 -0.690) 1.780 2.507 ( -13.423 -0.000 -15.786) 20.721 2.673 ( 7.458 0.000 -13.575) 15.489 2.840 ( 10.122 0.000 -3.050) 10.571 3.029 ( -4.249 -0.000 -12.605) 13.302 3.102 ( -13.320 -0.000 7.503) 15.288 3.425 ( 14.299 0.000 6.641) 15.766 3.515 ( -2.883 -0.000 2.150) 3.597 3.687 ( -3.274 -0.000 5.143) 6.097 3.749 ( -3.760 -0.000 9.332) 10.061 3.982 ( -2.995 -0.000 -9.812) 10.259 4.759 ( 0.238 0.000 5.419) 5.425 5.019 ( 12.686 0.000 -7.711) 14.846 5.087 ( -2.028 -0.000 -1.217) 2.365 5.224 ( 2.395 0.000 -3.635) 4.353 5.392 ( -1.641 -0.000 7.568) 7.744 5.528 ( -0.126 -0.000 0.014) 0.127 5.875 ( -2.714 -0.000 -7.475) 7.953 6.123 ( -4.292 -0.000 -7.733) 8.844 6.398 ( 4.577 0.000 4.006) 6.082 6.500 ( -2.920 -0.000 10.232) 10.641 6.505 ( 8.950 0.000 4.039) 9.819 6.587 ( -1.901 -0.000 8.429) 8.641 6.628 ( -5.980 -0.000 4.659) 7.580 7.126 ( -0.752 -0.000 6.922) 6.962 7.296 ( 1.059 0.000 4.230) 4.360 7.466 ( 2.088 0.000 3.590) 4.153 7.561 ( -5.201 -0.000 -6.087) 8.007 7.795 ( 4.654 0.000 -2.841) 5.453 7.970 ( 3.014 0.000 -6.657) 7.308 8.166 ( 1.575 0.000 1.283) 2.032 8.424 ( 0.888 0.000 -2.069) 2.252 8.644 ( -4.303 -0.000 -4.197) 6.011 8.648 ( -2.508 -0.000 3.789) 4.544 8.862 ( 3.239 0.000 -0.884) 3.357 9.067 ( -2.619 -0.000 7.453) 7.900 9.697 ( 7.263 0.000 -0.743) 7.301 10.225 ( -2.791 -0.000 -6.291) 6.882 10.582 ( -5.444 -0.000 -6.769) 8.686 10.804 ( -1.532 -0.000 3.838) 4.133 11.012 ( 2.796 0.000 -1.091) 3.001 11.540 ( -0.403 -0.000 2.074) 2.113 11.786 ( -13.092 -0.000 -7.903) 15.292 12.324 ( 9.777 0.000 16.972) 19.587 12.764 ( 0.048 0.000 1.579) 1.580 12.766 ( 5.807 0.000 5.991) 8.344 12.940 ( -3.578 -0.000 6.120) 7.089 13.319 ( -1.615 -0.000 -8.267) 8.424 13.571 ( -0.276 -0.000 -4.014) 4.023 13.701 ( 0.547 0.000 10.587) 10.601 13.722 ( -1.181 -0.000 -0.369) 1.237 14.204 ( -1.327 -0.000 0.412) 1.390 14.350 ( 3.191 0.000 -1.404) 3.486 15.437 ( -0.324 -0.000 -15.756) 15.759 15.719 ( 0.905 0.000 -20.140) 20.160 16.959 ( 1.077 0.000 9.562) 9.623 17.313 ( 5.437 0.000 0.800) 5.495 17.408 ( -23.901 -0.000 -6.071) 24.660 17.605 ( -5.023 -0.000 -1.728) 5.312 17.697 ( 31.516 0.000 5.151) 31.934 17.892 ( -5.594 -0.000 -10.258) 11.684 18.342 ( 6.532 0.000 8.438) 10.671 18.559 ( -4.451 -0.000 -1.142) 4.595 19.202 ( -2.802 -0.000 2.985) 4.094 19.309 ( -8.380 -0.000 1.127) 8.455 19.724 ( 0.877 0.000 6.119) 6.182 19.974 ( -1.201 -0.000 -1.356) 1.812 20.126 ( -2.909 -0.000 0.392) 2.935 20.508 ( 10.321 0.000 -15.539) 18.655 21.301 ( 1.088 0.000 12.152) 12.201 21.420 ( -0.818 -0.000 3.364) 3.462 ======================= Grid point 161 (73/172) ======================= q-point: (-0.40 -0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( -13.491 -2.223 -1.529) 13.758 2.158 ( 3.270 -4.004 7.442) 9.062 2.333 ( -3.907 3.970 -16.446) 17.363 2.700 ( -4.567 -8.873 -18.142) 20.706 2.925 ( 5.954 -2.681 -2.995) 7.184 2.974 ( 6.860 1.014 -12.538) 14.328 3.040 ( -11.756 -0.880 10.168) 15.568 3.457 ( -7.916 1.025 1.439) 8.111 3.560 ( 12.674 0.501 6.632) 14.313 3.678 ( -1.007 2.464 10.906) 11.226 3.804 ( 1.029 -3.313 -0.041) 3.470 3.949 ( -4.711 -3.532 -8.385) 10.245 4.622 ( -5.272 10.698 6.740) 13.699 5.016 ( 3.862 2.453 -3.163) 5.562 5.147 ( 8.027 -0.329 -9.051) 12.102 5.225 ( 0.195 -0.010 -1.884) 1.894 5.400 ( -2.437 1.185 8.756) 9.166 5.604 ( 6.761 -3.594 0.830) 7.701 5.806 ( -2.343 1.712 -5.365) 6.099 6.055 ( -3.811 -0.122 -10.326) 11.007 6.414 ( -2.575 2.665 8.945) 9.682 6.466 ( -0.452 2.964 9.228) 9.703 6.565 ( -7.862 -1.181 2.747) 8.412 6.603 ( 3.835 -0.371 7.061) 8.044 6.675 ( -1.182 -4.904 4.498) 6.758 7.143 ( -0.777 0.875 4.541) 4.690 7.347 ( 3.928 -0.436 1.043) 4.088 7.441 ( -0.223 1.973 -1.200) 2.320 7.589 ( 2.353 -5.415 4.612) 7.492 7.810 ( 3.455 1.242 -1.936) 4.150 7.972 ( 3.683 0.157 -5.971) 7.017 8.219 ( -0.367 -3.940 2.129) 4.493 8.416 ( 0.697 0.419 -6.349) 6.401 8.586 ( -9.211 -1.709 -3.598) 10.035 8.634 ( -0.814 1.520 5.563) 5.824 8.885 ( 3.631 0.153 -1.508) 3.935 9.088 ( -2.599 -1.321 7.421) 7.973 9.716 ( 5.072 4.096 2.230) 6.891 10.155 ( -3.582 1.667 -7.823) 8.764 10.530 ( -3.673 -1.861 -6.960) 8.087 10.780 ( -6.390 0.543 0.838) 6.468 11.026 ( 3.082 0.815 -0.292) 3.201 11.539 ( 0.164 0.467 2.769) 2.813 11.704 ( -8.561 -3.162 -4.222) 10.056 12.431 ( 5.310 1.000 10.180) 11.525 12.624 ( 2.274 11.411 7.158) 13.661 12.873 ( 1.814 1.442 1.791) 2.929 12.982 ( 0.923 -2.897 7.472) 8.067 13.281 ( 0.843 -0.053 -5.167) 5.236 13.531 ( -0.868 1.587 -3.715) 4.132 13.667 ( -1.275 2.115 1.672) 2.983 13.830 ( 1.787 -5.071 6.484) 8.423 14.182 ( -1.851 -0.895 0.629) 2.149 14.401 ( 1.436 -2.407 -0.521) 2.851 15.371 ( 0.961 0.132 -16.808) 16.836 15.637 ( -0.263 -0.245 -23.014) 23.016 16.974 ( -24.459 8.273 4.551) 26.218 17.018 ( -6.540 5.204 4.785) 9.631 17.366 ( -5.016 -2.633 -0.788) 5.719 17.513 ( -7.467 2.249 -2.330) 8.139 17.803 ( -3.729 2.707 -9.095) 10.196 17.947 ( 17.271 0.374 3.411) 17.609 18.464 ( 8.303 -1.659 7.508) 11.317 18.499 ( -4.165 0.344 -0.177) 4.183 18.974 ( -11.023 10.427 1.522) 15.249 19.459 ( 0.343 -10.604 -3.153) 11.068 19.781 ( 0.487 -3.497 7.512) 8.301 19.936 ( -5.834 0.287 -1.717) 6.088 20.128 ( 7.184 1.461 -0.713) 7.365 20.540 ( 7.465 -1.133 -11.993) 14.172 21.301 ( -2.119 5.760 11.442) 12.984 21.406 ( 1.914 2.844 4.313) 5.509 ======================= Grid point 162 (74/172) ======================= q-point: (-0.30 -0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -20.681 -5.594 -4.947) 21.988 2.187 ( -6.315 1.409 -7.139) 9.635 2.279 ( 2.951 -2.650 4.245) 5.809 2.743 ( -7.566 -9.638 -21.037) 24.345 2.945 ( 5.873 1.619 -8.413) 10.387 2.993 ( -7.933 -2.407 8.645) 11.978 3.075 ( 3.425 -4.423 -1.147) 5.710 3.382 ( -6.412 0.249 -2.582) 6.917 3.647 ( 4.316 2.167 7.181) 8.654 3.679 ( 1.183 2.823 13.812) 14.147 3.883 ( 8.259 -2.762 -5.120) 10.102 3.924 ( -7.299 -2.959 -4.393) 9.018 4.484 ( -0.441 3.980 6.767) 7.863 4.971 ( 2.491 4.380 -6.107) 7.918 5.106 ( 4.371 4.796 -9.651) 11.629 5.204 ( -0.570 3.628 4.642) 5.919 5.393 ( 2.355 1.824 3.630) 4.695 5.697 ( 1.510 -1.673 -0.080) 2.255 5.773 ( -0.410 -1.535 -2.264) 2.766 6.005 ( -0.681 -1.382 -7.010) 7.177 6.348 ( -11.119 -0.080 3.630) 11.697 6.459 ( 1.622 2.712 8.893) 9.438 6.552 ( -5.133 -0.300 5.640) 7.632 6.671 ( 0.659 -2.721 6.145) 6.753 6.772 ( 1.969 -3.431 3.265) 5.130 7.085 ( -2.202 3.896 -5.615) 7.180 7.335 ( -3.542 -0.866 2.121) 4.219 7.521 ( 11.505 -1.814 3.570) 12.182 7.745 ( 2.956 -5.822 4.585) 7.979 7.798 ( 2.382 1.766 2.396) 3.813 7.971 ( 2.378 0.204 -5.370) 5.876 8.269 ( -3.396 -0.012 3.763) 5.069 8.360 ( -3.188 -0.765 -11.332) 11.797 8.537 ( -11.155 -3.392 -3.680) 12.226 8.645 ( 2.612 0.830 7.416) 7.906 8.905 ( 4.456 0.332 -1.467) 4.702 9.122 ( -2.683 -1.626 6.038) 6.804 9.657 ( 3.032 7.445 4.694) 9.309 10.050 ( -4.387 2.778 -7.738) 9.319 10.535 ( -0.805 -3.575 -6.682) 7.620 10.694 ( -9.685 1.367 0.093) 9.781 11.030 ( 2.899 1.496 0.109) 3.265 11.570 ( 2.382 -1.394 4.196) 5.022 11.695 ( -6.127 -3.387 -3.105) 7.658 12.427 ( -0.064 9.021 6.476) 11.105 12.499 ( 3.823 4.723 5.657) 8.302 12.818 ( -0.811 5.065 1.446) 5.330 13.029 ( 2.350 2.355 4.579) 5.660 13.309 ( 2.560 -2.096 0.436) 3.337 13.483 ( -1.361 1.106 -4.356) 4.695 13.630 ( -0.938 1.444 0.599) 1.824 13.928 ( 4.129 -1.136 1.901) 4.685 14.255 ( -2.165 -7.532 4.366) 8.971 14.435 ( -1.199 -2.159 -0.266) 2.484 15.322 ( 4.518 0.525 -15.756) 16.399 15.550 ( -2.338 -1.824 -22.131) 22.329 16.467 ( -35.044 13.922 -0.050) 37.709 17.016 ( -3.157 1.920 8.500) 9.269 17.368 ( 0.631 0.285 -1.216) 1.400 17.398 ( -15.618 -0.918 -0.687) 15.660 17.661 ( -2.397 6.414 -5.099) 8.537 17.983 ( 4.337 5.423 2.954) 7.546 18.401 ( -8.199 1.560 -0.718) 8.377 18.603 ( -3.760 1.438 9.498) 10.316 18.778 ( 0.549 0.903 -4.243) 4.373 19.580 ( 7.226 -1.685 -5.318) 9.129 19.876 ( -5.304 0.339 -0.725) 5.364 19.942 ( -0.684 -11.214 5.817) 12.652 20.173 ( 9.755 1.471 -0.500) 9.878 20.563 ( 4.298 -0.572 -7.656) 8.799 21.159 ( -6.770 9.288 7.214) 13.570 21.388 ( 5.062 5.512 6.029) 9.610 ======================= Grid point 163 (75/172) ======================= q-point: (-0.20 -0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -21.926 -4.364 -2.580) 22.505 2.097 ( -7.990 -1.523 -3.602) 8.896 2.367 ( 3.425 -4.176 1.857) 5.711 2.743 ( -8.916 -7.321 -17.215) 20.723 2.935 ( 3.182 0.888 -6.799) 7.559 2.987 ( -5.197 1.728 7.582) 9.354 3.160 ( -2.525 -4.383 -2.643) 5.707 3.338 ( -6.791 -3.047 -2.198) 7.761 3.594 ( -0.869 6.321 3.792) 7.422 3.687 ( 6.490 6.225 12.605) 15.484 3.899 ( -5.251 -5.010 -3.045) 7.871 4.064 ( 12.797 -5.924 -0.658) 14.117 4.503 ( 2.962 -0.812 4.276) 5.265 4.844 ( 2.842 7.485 -10.251) 13.007 5.023 ( -2.212 2.477 -2.372) 4.081 5.126 ( 0.788 6.876 8.338) 10.836 5.438 ( 6.596 -1.751 -0.684) 6.859 5.681 ( -4.417 0.503 -2.302) 5.006 5.815 ( -0.599 -3.780 -2.229) 4.429 6.044 ( 1.991 -3.399 -2.028) 4.431 6.298 ( -8.126 -3.135 -2.854) 9.165 6.454 ( 1.335 3.406 8.031) 8.825 6.522 ( -5.031 1.628 5.917) 7.936 6.753 ( -0.089 -2.132 7.415) 7.716 6.813 ( -0.607 0.879 -1.301) 1.683 6.999 ( 2.128 -0.057 -6.867) 7.189 7.352 ( -2.315 -1.194 5.620) 6.194 7.656 ( 10.451 -1.226 1.487) 10.628 7.746 ( -2.161 1.272 -3.076) 3.968 7.914 ( 3.177 -3.163 6.324) 7.752 7.967 ( 1.800 -0.863 -1.522) 2.510 8.190 ( -3.018 3.459 -0.547) 4.623 8.328 ( -6.112 -2.013 -5.669) 8.576 8.475 ( -14.092 -2.170 -2.580) 14.489 8.691 ( 3.774 0.190 5.141) 6.380 8.939 ( 5.317 -0.301 -1.777) 5.614 9.141 ( -2.029 -0.422 3.479) 4.049 9.565 ( 3.135 7.543 6.317) 10.326 9.936 ( -5.194 2.462 -4.916) 7.564 10.550 ( -8.575 -3.531 -9.303) 13.136 10.624 ( 0.902 1.024 4.733) 4.926 11.020 ( 2.146 1.922 -0.095) 2.882 11.652 ( 3.627 -2.527 5.301) 6.902 11.686 ( -5.605 -2.489 -3.725) 7.175 12.246 ( -2.699 11.000 4.932) 12.353 12.495 ( 3.635 2.309 1.895) 4.705 12.722 ( -1.256 5.059 3.112) 6.071 12.984 ( -0.127 5.049 1.434) 5.250 13.375 ( 1.435 -1.893 2.459) 3.419 13.427 ( -1.328 0.741 -7.346) 7.501 13.616 ( -0.203 -0.122 1.053) 1.080 13.972 ( 4.554 -0.489 -2.081) 5.030 14.348 ( -2.647 -2.005 2.077) 3.917 14.531 ( -0.271 -9.489 4.782) 10.629 15.284 ( 6.297 3.336 -12.595) 14.471 15.513 ( -2.195 -4.914 -14.572) 15.534 15.973 ( -28.722 10.856 -0.956) 30.720 16.948 ( -9.765 3.025 6.469) 12.098 17.273 ( 7.485 9.760 -2.409) 12.534 17.334 ( -27.161 -7.284 -0.872) 28.134 17.568 ( 5.835 3.222 0.316) 6.673 17.909 ( 0.806 5.216 4.261) 6.783 18.304 ( -8.271 1.497 -0.089) 8.405 18.459 ( -13.956 3.082 -1.033) 14.330 18.872 ( 8.610 -2.250 0.209) 8.901 19.617 ( 9.685 2.104 -7.164) 12.229 19.845 ( -4.279 -1.017 2.832) 5.231 20.162 ( -1.252 -11.644 1.681) 11.831 20.216 ( 8.647 2.241 0.311) 8.938 20.576 ( 2.299 -0.550 -2.843) 3.698 20.967 ( -8.078 7.093 4.729) 11.744 21.323 ( 4.593 8.673 3.766) 10.512 ======================= Grid point 164 (76/172) ======================= q-point: (-0.10 -0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -19.078 2.561 -0.273) 19.251 2.136 ( -4.203 -8.272 -0.140) 9.280 2.521 ( 8.187 -7.443 -0.602) 11.081 2.727 ( -6.131 -2.902 -14.494) 16.002 2.820 ( -8.706 4.580 -2.968) 10.275 2.969 ( 1.538 0.430 2.649) 3.093 3.157 ( -4.811 0.296 -2.504) 5.432 3.353 ( -5.205 -2.500 5.800) 8.184 3.508 ( 0.959 3.643 -1.703) 4.135 3.679 ( 5.769 4.631 9.868) 12.334 3.948 ( -1.828 -4.291 -4.017) 6.156 4.269 ( 10.609 -5.360 1.376) 11.966 4.549 ( 1.053 0.196 3.906) 4.050 4.730 ( 2.479 3.946 -3.576) 5.874 4.970 ( -3.519 0.046 0.944) 3.644 5.074 ( 1.828 2.920 5.178) 6.219 5.499 ( 3.008 1.378 1.591) 3.672 5.643 ( -0.431 -2.311 -8.367) 8.691 5.861 ( -4.164 -4.432 -2.750) 6.674 6.104 ( 1.371 -1.730 -0.632) 2.296 6.296 ( -3.831 -3.134 -4.992) 7.030 6.401 ( -5.320 3.968 5.001) 8.310 6.472 ( 2.988 4.493 2.883) 6.118 6.697 ( -1.403 4.463 0.497) 4.705 6.872 ( 0.742 -4.460 5.813) 7.364 7.064 ( 6.963 -3.582 -3.606) 8.621 7.367 ( -1.765 0.297 5.065) 5.372 7.669 ( -4.140 3.137 -0.952) 5.281 7.717 ( 3.861 1.149 -5.085) 6.487 7.916 ( 0.399 0.214 -6.583) 6.598 8.023 ( -7.655 -1.974 6.781) 10.415 8.199 ( 9.085 -1.706 3.305) 9.816 8.271 ( -6.380 0.146 -3.997) 7.530 8.373 ( -12.780 -0.534 -0.554) 12.803 8.732 ( 2.850 0.284 2.877) 4.060 8.974 ( 3.761 -0.174 -3.155) 4.912 9.140 ( 0.345 0.396 1.400) 1.496 9.504 ( 2.661 5.316 7.612) 9.659 9.857 ( -5.345 -0.127 -0.874) 5.417 10.483 ( -9.709 -2.138 -5.115) 11.180 10.676 ( 6.662 -0.020 3.235) 7.406 10.998 ( 0.855 1.599 -0.829) 1.994 11.665 ( -4.455 -1.961 -2.896) 5.664 11.754 ( 3.442 -2.970 4.775) 6.593 12.060 ( -3.418 8.650 3.609) 9.976 12.490 ( 3.638 1.656 -0.169) 4.001 12.661 ( -0.982 2.434 4.553) 5.255 12.864 ( -3.313 5.634 -4.746) 8.078 13.347 ( -1.335 1.327 -3.666) 4.121 13.456 ( 1.828 -2.585 -1.908) 3.697 13.635 ( -0.613 -1.655 1.918) 2.606 14.010 ( 4.062 -0.868 -2.509) 4.853 14.357 ( -2.074 -1.220 2.475) 3.453 14.720 ( 1.939 -6.718 2.591) 7.457 15.177 ( -3.844 5.194 -2.940) 7.099 15.559 ( -0.207 -4.929 -7.241) 8.762 15.694 ( -6.637 2.145 -0.813) 7.022 16.818 ( -12.169 3.235 3.185) 12.988 17.167 ( 15.527 10.868 -2.856) 19.167 17.233 ( -27.853 -8.166 -1.008) 29.043 17.586 ( 3.802 0.823 -0.527) 3.926 17.887 ( 3.450 2.017 7.489) 8.489 18.217 ( -7.406 0.771 -1.344) 7.566 18.322 ( -5.256 2.078 -0.641) 5.688 18.944 ( 3.238 -0.640 -2.025) 3.873 19.614 ( 8.101 2.530 -8.746) 12.187 19.862 ( -3.364 -2.107 5.794) 7.024 20.213 ( 2.323 1.934 -3.081) 4.316 20.330 ( 1.020 -5.411 2.858) 6.204 20.602 ( 0.187 -1.460 1.586) 2.164 20.857 ( -4.980 0.520 2.678) 5.678 21.192 ( 2.188 9.642 0.315) 9.892 ======================= Grid point 171 (77/172) ======================= q-point: (-0.40 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -25.512 -0.000 -6.498) 26.326 2.158 ( -6.012 -0.000 10.994) 12.530 2.372 ( 7.696 0.000 -10.588) 13.090 2.427 ( -11.075 -0.000 -26.595) 28.808 2.936 ( 3.643 0.000 -1.748) 4.041 2.967 ( -12.664 -0.000 12.012) 17.454 3.014 ( 11.860 0.000 -12.987) 17.588 3.404 ( -10.390 -0.000 6.190) 12.094 3.687 ( 10.261 0.000 7.666) 12.809 3.753 ( -2.305 -0.000 1.576) 2.792 3.792 ( 8.519 0.000 2.655) 8.923 3.812 ( -8.495 -0.000 -9.998) 13.120 4.679 ( -10.870 -0.000 4.415) 11.732 5.066 ( 1.769 0.000 -1.061) 2.062 5.148 ( 9.910 0.000 -7.316) 12.318 5.215 ( -0.393 -0.000 -1.031) 1.103 5.484 ( 3.021 0.000 9.693) 10.152 5.631 ( 9.128 0.000 -0.933) 9.175 5.787 ( -0.115 -0.000 -5.743) 5.745 5.981 ( -3.495 -0.000 -10.153) 10.738 6.430 ( -13.896 -0.000 -1.269) 13.953 6.468 ( -0.721 -0.000 6.823) 6.861 6.495 ( -10.437 -0.000 8.066) 13.191 6.641 ( -1.752 -0.000 9.219) 9.384 6.698 ( 7.279 0.000 10.367) 12.667 7.183 ( 0.726 0.000 7.192) 7.228 7.328 ( -4.786 -0.000 -10.267) 11.327 7.487 ( 6.261 0.000 4.331) 7.613 7.579 ( 7.454 0.000 3.328) 8.163 7.845 ( 2.141 0.000 -0.138) 2.145 7.984 ( 4.075 0.000 -6.863) 7.982 8.185 ( -0.450 -0.000 2.312) 2.356 8.396 ( -0.517 -0.000 -7.665) 7.682 8.453 ( -14.172 -0.000 -4.420) 14.845 8.681 ( 1.147 0.000 9.700) 9.768 8.912 ( 4.548 0.000 -2.277) 5.086 9.084 ( -2.666 -0.000 7.392) 7.858 9.812 ( 4.543 0.000 5.629) 7.233 10.100 ( -4.133 -0.000 -10.471) 11.257 10.444 ( -4.022 -0.000 -7.749) 8.730 10.725 ( -9.456 -0.000 -0.286) 9.460 11.059 ( 3.020 0.000 0.196) 3.026 11.558 ( 0.272 0.000 3.186) 3.198 11.612 ( -4.442 -0.000 -0.182) 4.446 12.504 ( 2.091 0.000 7.100) 7.402 12.757 ( -1.506 -0.000 -0.941) 1.776 12.940 ( -2.712 -0.000 6.680) 7.210 12.990 ( 10.289 0.000 10.537) 14.727 13.272 ( 3.113 0.000 -5.866) 6.641 13.520 ( -2.097 -0.000 -4.851) 5.285 13.710 ( -0.175 -0.000 3.704) 3.709 13.798 ( 1.135 0.000 9.637) 9.703 14.159 ( -4.006 -0.000 -0.527) 4.041 14.400 ( 3.655 0.000 -0.777) 3.737 15.309 ( 0.960 0.000 -16.481) 16.509 15.533 ( -0.384 -0.000 -27.272) 27.275 16.891 ( -32.215 -0.000 1.923) 32.272 16.997 ( -40.493 -0.000 2.869) 40.594 17.067 ( -1.001 -0.000 6.682) 6.756 17.531 ( -0.500 -0.000 -4.002) 4.033 17.804 ( 2.887 0.000 -10.618) 11.004 18.126 ( 14.272 0.000 0.644) 14.287 18.444 ( -5.540 -0.000 1.289) 5.688 18.559 ( 9.577 0.000 8.912) 13.083 19.073 ( -14.412 -0.000 2.759) 14.674 19.238 ( -0.908 -0.000 -2.229) 2.407 19.800 ( 2.189 0.000 5.459) 5.881 19.887 ( -5.050 -0.000 -2.133) 5.482 20.209 ( 10.758 0.000 -1.917) 10.928 20.547 ( 7.322 0.000 -10.625) 12.904 21.409 ( -0.906 -0.000 14.606) 14.634 21.439 ( 0.058 0.000 2.044) 2.044 ======================= Grid point 172 (78/172) ======================= q-point: (-0.30 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -26.694 -5.470 -7.135) 28.168 2.069 ( -21.199 -1.333 -2.804) 21.426 2.268 ( -3.333 -0.565 -8.845) 9.469 2.458 ( 1.497 -6.268 -16.672) 17.874 2.922 ( -7.482 -0.859 7.375) 10.541 2.980 ( -1.924 -2.140 5.066) 5.826 3.060 ( 11.096 0.331 -8.364) 13.899 3.341 ( -8.422 1.086 3.534) 9.198 3.697 ( -6.241 -2.311 -6.119) 9.040 3.721 ( -1.940 2.069 0.820) 2.953 3.829 ( 2.970 -2.844 10.188) 10.986 3.895 ( 10.311 -1.722 -3.563) 11.044 4.574 ( -4.131 4.082 4.208) 7.172 5.043 ( 2.874 3.832 -2.635) 5.467 5.174 ( 5.685 2.373 -10.932) 12.548 5.230 ( 1.208 -1.511 1.586) 2.502 5.498 ( 2.943 3.943 9.396) 10.606 5.703 ( 3.003 0.282 -1.210) 3.250 5.776 ( 3.413 0.455 -1.981) 3.972 5.929 ( -0.372 -1.777 -10.492) 10.648 6.258 ( -17.193 2.192 0.645) 17.344 6.453 ( -6.363 -1.610 4.040) 7.707 6.517 ( -5.417 -2.494 5.540) 8.140 6.658 ( -3.516 -0.565 8.248) 8.984 6.812 ( 8.012 -0.592 11.901) 14.359 7.144 ( -1.419 5.083 -4.401) 6.871 7.283 ( -3.351 -2.628 0.840) 4.340 7.582 ( 8.741 -1.732 1.773) 9.085 7.693 ( 5.929 -3.916 0.983) 7.173 7.852 ( 1.139 0.737 4.064) 4.284 7.969 ( 0.819 0.533 -7.428) 7.492 8.218 ( -1.816 -2.914 -1.469) 3.734 8.293 ( -9.868 1.892 -4.164) 10.876 8.379 ( -8.200 -2.467 -5.639) 10.253 8.733 ( 4.209 1.367 10.901) 11.765 8.940 ( 4.899 0.076 -2.340) 5.430 9.101 ( -2.542 -1.058 6.334) 6.906 9.822 ( 2.264 5.384 9.557) 11.201 10.008 ( -4.420 1.254 -12.194) 13.031 10.414 ( -3.799 -3.167 -8.383) 9.734 10.641 ( -9.341 -0.097 1.332) 9.436 11.074 ( 2.353 0.875 0.265) 2.525 11.583 ( 1.700 -0.844 4.495) 4.879 11.610 ( -2.441 -1.651 0.852) 3.067 12.531 ( 0.923 1.169 5.665) 5.858 12.655 ( -1.689 8.103 -0.645) 8.302 12.906 ( -1.754 4.008 6.435) 7.781 13.102 ( 5.233 0.764 4.260) 6.791 13.300 ( 5.033 -1.700 -3.771) 6.515 13.466 ( -3.485 1.088 -4.990) 6.183 13.682 ( 0.985 3.859 5.240) 6.582 13.923 ( 1.953 -5.079 7.464) 9.237 14.143 ( -3.336 -3.463 0.736) 4.864 14.419 ( 1.591 0.487 -1.315) 2.121 15.280 ( 3.453 -2.211 -13.749) 14.348 15.415 ( -1.176 -0.350 -28.022) 28.049 16.402 ( -38.971 12.817 1.255) 41.043 16.879 ( -40.048 -13.839 1.893) 42.414 17.063 ( -3.613 2.653 6.824) 8.164 17.500 ( 0.435 1.160 -3.494) 3.707 17.748 ( 3.136 4.364 -8.825) 10.333 18.128 ( -0.024 4.014 -2.155) 4.556 18.400 ( -0.971 4.575 5.959) 7.575 18.668 ( -3.602 3.992 11.683) 12.860 18.807 ( -2.170 5.177 -3.591) 6.664 19.433 ( 0.012 -14.521 -3.919) 15.040 19.832 ( -3.087 0.282 -0.803) 3.202 19.859 ( 0.655 -2.393 3.443) 4.244 20.284 ( 12.165 1.209 -1.967) 12.382 20.565 ( 5.074 -0.254 -7.556) 9.105 21.306 ( -5.614 9.956 7.129) 13.471 21.505 ( 2.960 0.156 8.075) 8.602 ======================= Grid point 173 (79/172) ======================= q-point: (-0.20 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -23.120 -9.530 -3.548) 25.258 1.931 ( -21.294 -4.483 -3.197) 21.995 2.220 ( -11.149 -6.659 -13.707) 18.882 2.509 ( -0.673 -5.690 -9.552) 11.139 2.914 ( -5.566 -0.957 3.686) 6.745 3.030 ( 0.872 -0.136 9.200) 9.242 3.116 ( 5.389 -1.005 -2.485) 6.019 3.245 ( -7.575 0.920 -5.167) 9.215 3.644 ( -9.303 1.430 0.517) 9.426 3.730 ( -0.635 -5.596 -4.953) 7.500 3.888 ( 4.946 3.898 11.832) 13.403 4.046 ( 11.249 -6.130 -1.083) 12.857 4.544 ( 3.179 0.633 2.662) 4.194 4.953 ( 2.784 6.599 -7.197) 10.153 5.091 ( 3.525 5.582 -6.834) 9.502 5.271 ( 1.604 2.663 7.610) 8.220 5.469 ( 2.200 2.649 -0.463) 3.474 5.658 ( -3.222 1.714 1.357) 3.894 5.793 ( 2.896 0.945 -3.386) 4.555 5.972 ( 2.491 -4.524 -4.938) 7.145 6.138 ( -12.615 -3.458 -2.107) 13.249 6.465 ( -4.294 -2.872 2.738) 5.847 6.508 ( -8.014 -0.269 5.930) 9.973 6.676 ( -5.287 -2.887 5.150) 7.925 6.915 ( 5.933 3.071 9.986) 12.015 7.038 ( 3.587 2.580 -5.440) 7.009 7.323 ( -2.173 -2.253 5.969) 6.739 7.667 ( 2.641 -1.864 -5.310) 6.216 7.764 ( 4.751 0.011 -1.144) 4.886 7.904 ( 0.122 -1.659 4.131) 4.453 7.929 ( -4.726 -1.729 -3.634) 6.208 8.150 ( -6.867 -0.834 -9.078) 11.413 8.265 ( -1.647 -0.205 4.212) 4.527 8.324 ( -10.318 -1.949 -3.811) 11.170 8.780 ( 5.258 2.244 8.521) 10.262 8.971 ( 4.925 -0.017 -2.465) 5.508 9.126 ( -1.784 -1.199 4.239) 4.753 9.746 ( -0.150 8.175 9.426) 12.478 9.897 ( -6.150 1.447 -8.330) 10.455 10.389 ( -7.754 -2.896 -8.614) 11.946 10.636 ( -0.103 -2.525 4.473) 5.138 11.065 ( 1.002 1.711 -0.427) 2.028 11.615 ( -2.319 -0.911 0.029) 2.492 11.653 ( 2.677 -2.379 5.765) 6.787 12.431 ( -3.956 11.393 0.706) 12.081 12.557 ( 1.170 1.511 2.076) 2.822 12.825 ( -2.818 5.845 7.476) 9.899 13.075 ( 0.326 5.207 -1.663) 5.476 13.362 ( 3.432 -2.531 -3.191) 5.326 13.391 ( -4.213 1.228 -4.809) 6.510 13.644 ( 0.403 2.732 2.791) 3.926 13.996 ( 2.894 -0.469 -0.238) 2.941 14.257 ( -2.606 -7.335 4.247) 8.867 14.424 ( 1.067 -3.072 0.608) 3.308 15.320 ( 2.674 0.162 -20.329) 20.505 15.346 ( 4.050 -5.801 -9.213) 11.616 15.907 ( -31.412 9.612 -0.120) 32.850 16.809 ( -38.969 -13.790 1.212) 41.355 16.949 ( -13.271 4.940 4.883) 14.979 17.458 ( 1.898 3.371 -6.249) 7.349 17.666 ( 3.702 4.018 -2.804) 6.141 18.034 ( -2.069 4.261 2.504) 5.358 18.297 ( -6.136 6.298 5.673) 10.465 18.463 ( -7.063 6.503 1.951) 9.797 18.885 ( 5.802 -2.805 0.109) 6.446 19.621 ( 3.213 -6.324 -5.844) 9.190 19.796 ( -3.841 -0.578 -0.187) 3.889 19.973 ( -0.040 -8.434 1.578) 8.580 20.341 ( 11.029 2.431 -0.894) 11.329 20.578 ( 2.821 -0.260 -3.588) 4.571 21.070 ( -10.520 11.027 5.822) 16.314 21.507 ( 3.422 5.936 5.178) 8.588 ======================= Grid point 174 (80/172) ======================= q-point: (-0.10 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -19.009 -5.799 -0.433) 19.878 1.892 ( -15.226 -10.198 -1.417) 18.380 2.278 ( -6.759 -14.710 -14.630) 21.819 2.585 ( -1.230 -6.642 -1.697) 6.965 2.848 ( -6.788 5.099 -1.411) 8.606 3.012 ( -2.728 2.415 4.555) 5.833 3.132 ( 2.479 1.006 -1.427) 3.032 3.264 ( -0.905 -6.903 0.993) 7.032 3.528 ( -8.284 2.755 0.150) 8.732 3.803 ( -1.938 -4.081 -3.963) 6.010 3.900 ( 8.628 4.624 7.158) 12.127 4.247 ( 7.832 -6.603 2.397) 10.521 4.585 ( 3.418 0.367 2.083) 4.019 4.831 ( 5.029 6.121 -8.435) 11.572 5.004 ( 0.545 4.983 1.817) 5.332 5.188 ( -1.855 6.758 7.272) 10.099 5.511 ( 4.887 -4.142 -7.693) 10.011 5.608 ( -2.704 2.878 3.233) 5.104 5.765 ( -3.367 -0.669 -3.839) 5.150 6.057 ( 2.229 -4.063 -2.397) 5.218 6.150 ( -5.005 -6.199 -4.117) 8.968 6.448 ( -6.071 2.263 5.852) 8.731 6.501 ( -2.359 -1.367 3.751) 4.637 6.738 ( -5.566 -7.138 2.540) 9.401 6.840 ( 4.299 7.113 -1.270) 8.407 7.104 ( 8.107 -0.714 5.467) 9.805 7.362 ( -2.257 -1.181 6.062) 6.576 7.619 ( -5.115 1.149 -11.551) 12.685 7.795 ( 4.633 2.079 -0.579) 5.111 7.848 ( -10.531 -1.917 -5.752) 12.151 7.942 ( -4.638 -1.663 -0.392) 4.943 8.153 ( -1.374 -3.574 -4.466) 5.883 8.239 ( -8.000 0.003 0.985) 8.061 8.296 ( 0.401 -1.822 4.981) 5.319 8.802 ( 3.684 2.569 5.250) 6.909 8.994 ( 3.956 0.223 -3.571) 5.334 9.147 ( -0.066 -0.629 1.875) 1.979 9.624 ( -5.300 6.029 6.216) 10.153 9.807 ( -6.586 0.657 0.023) 6.619 10.348 ( -5.950 -2.785 -6.657) 9.352 10.728 ( 5.630 -2.259 5.265) 8.033 11.026 ( -0.814 2.128 -1.807) 2.908 11.609 ( -1.611 -0.570 0.259) 1.728 11.746 ( 2.164 -2.859 5.946) 6.943 12.190 ( -6.093 9.659 -1.013) 11.465 12.546 ( 1.250 1.899 1.402) 2.671 12.731 ( -3.838 4.887 6.609) 9.071 12.922 ( -4.080 6.883 -7.803) 11.176 13.333 ( -2.042 0.131 -3.106) 3.719 13.422 ( 2.203 -2.416 -2.046) 3.857 13.625 ( 0.155 0.279 1.150) 1.194 14.023 ( 4.115 -0.481 -2.896) 5.055 14.310 ( -3.086 -2.524 1.479) 4.252 14.598 ( 3.202 -9.946 5.155) 11.651 15.216 ( -6.730 5.409 -8.060) 11.811 15.420 ( -4.898 -4.990 -5.102) 8.655 15.689 ( 3.488 -0.936 -1.210) 3.808 16.729 ( -26.829 -4.975 1.517) 27.328 16.779 ( -26.424 -6.383 1.189) 27.210 17.369 ( 3.180 4.981 -6.664) 8.907 17.640 ( 1.656 2.049 -0.279) 2.649 17.999 ( 2.136 1.655 6.178) 6.743 18.175 ( -4.691 3.212 2.652) 6.273 18.370 ( 2.751 3.587 2.477) 5.154 18.938 ( 0.716 -0.652 -2.869) 3.028 19.659 ( 3.367 0.792 -8.619) 9.287 19.804 ( -4.376 -2.811 4.326) 6.765 20.118 ( -2.805 -7.768 -3.843) 9.109 20.377 ( 8.579 2.204 2.185) 9.123 20.592 ( 0.345 -0.456 0.159) 0.593 20.852 ( -10.296 4.778 4.654) 12.267 21.393 ( 1.365 10.287 1.077) 10.433 ======================= Grid point 182 (81/172) ======================= q-point: (-0.30 -0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -29.199 -0.000 -6.463) 29.906 1.781 ( -29.437 -0.000 -18.509) 34.773 2.144 ( -17.145 -0.000 -3.878) 17.578 2.403 ( 4.272 0.000 -12.417) 13.132 2.889 ( -10.012 -0.000 13.196) 16.565 2.942 ( -2.720 -0.000 4.005) 4.841 3.154 ( 15.552 0.000 -7.174) 17.127 3.305 ( -9.479 -0.000 8.394) 12.661 3.531 ( -13.714 -0.000 -8.345) 16.054 3.731 ( -0.588 -0.000 -3.617) 3.664 3.887 ( 7.635 0.000 7.339) 10.591 3.968 ( 11.658 0.000 -0.394) 11.665 4.583 ( -2.743 -0.000 1.052) 2.938 5.116 ( 4.999 0.000 -1.155) 5.130 5.192 ( 4.357 0.000 -9.156) 10.140 5.224 ( 2.756 0.000 -1.996) 3.403 5.598 ( -0.178 -0.000 11.139) 11.140 5.717 ( 1.070 0.000 -2.296) 2.533 5.813 ( 6.245 0.000 -1.332) 6.385 5.875 ( 1.600 0.000 -9.452) 9.586 6.132 ( -19.355 -0.000 -0.924) 19.377 6.407 ( -5.492 -0.000 3.533) 6.530 6.447 ( -7.183 -0.000 2.434) 7.584 6.656 ( -4.450 -0.000 8.628) 9.708 6.935 ( 9.197 0.000 14.302) 17.004 7.123 ( -7.373 -0.000 -12.033) 14.112 7.255 ( 0.210 0.000 8.195) 8.197 7.622 ( 5.303 0.000 -1.441) 5.495 7.723 ( 7.395 0.000 0.199) 7.398 7.870 ( -2.213 -0.000 2.686) 3.480 7.909 ( -8.173 -0.000 -8.535) 11.817 8.182 ( 0.562 0.000 -6.285) 6.311 8.202 ( -9.282 -0.000 0.589) 9.301 8.300 ( -4.028 -0.000 -3.019) 5.033 8.834 ( 5.776 0.000 11.738) 13.082 8.969 ( 4.924 0.000 -3.135) 5.838 9.095 ( -2.616 -0.000 5.643) 6.220 9.920 ( -9.495 -0.000 6.380) 11.440 9.955 ( 7.600 0.000 -5.860) 9.597 10.320 ( -4.083 -0.000 -8.421) 9.358 10.556 ( -10.479 -0.000 2.836) 10.856 11.098 ( 1.279 0.000 -0.122) 1.285 11.597 ( 0.166 0.000 2.248) 2.254 11.610 ( 1.925 0.000 6.212) 6.503 12.562 ( 0.020 0.000 4.742) 4.742 12.704 ( -2.233 -0.000 -3.797) 4.405 12.958 ( -3.166 -0.000 9.967) 10.457 13.172 ( 5.251 0.000 2.444) 5.792 13.307 ( 7.051 0.000 -9.658) 11.958 13.423 ( -4.780 -0.000 -4.586) 6.624 13.802 ( 3.646 0.000 9.852) 10.505 13.880 ( 0.308 0.000 6.767) 6.774 14.074 ( -5.437 -0.000 -0.857) 5.504 14.447 ( 3.278 0.000 -1.408) 3.568 15.225 ( 2.884 0.000 -11.225) 11.590 15.283 ( -1.399 -0.000 -29.793) 29.826 16.277 ( -46.586 -0.000 0.745) 46.592 16.348 ( -33.937 -0.000 2.940) 34.064 17.083 ( -5.649 -0.000 4.734) 7.370 17.477 ( -2.808 -0.000 -2.482) 3.748 17.779 ( 3.488 0.000 -8.848) 9.511 18.090 ( -8.524 -0.000 -3.605) 9.255 18.527 ( 5.299 0.000 7.138) 8.890 18.754 ( 4.850 0.000 10.349) 11.429 18.846 ( -14.521 -0.000 2.084) 14.670 19.201 ( 0.863 0.000 -9.992) 10.030 19.803 ( -3.254 -0.000 -2.177) 3.915 19.864 ( 1.085 0.000 3.250) 3.426 20.387 ( 12.245 0.000 -2.175) 12.437 20.573 ( 4.099 0.000 -6.140) 7.383 21.445 ( 0.056 0.000 -0.657) 0.659 21.510 ( -1.795 -0.000 16.735) 16.831 ======================= Grid point 183 (82/172) ======================= q-point: (-0.20 -0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -25.815 -9.840 -1.595) 27.673 1.537 ( -29.438 -9.292 -19.183) 36.345 1.961 ( -25.956 -1.847 -2.297) 26.123 2.392 ( -1.135 -3.268 -12.728) 13.189 2.873 ( -7.120 -1.315 10.520) 12.771 2.985 ( -3.736 -4.739 7.310) 9.479 3.194 ( -7.314 5.011 5.153) 10.255 3.226 ( 7.617 2.470 -10.536) 13.234 3.492 ( -7.831 -6.469 2.566) 10.476 3.696 ( 0.702 1.076 -6.350) 6.478 4.000 ( 5.579 -1.523 11.176) 12.584 4.061 ( 12.446 -0.942 -4.676) 13.329 4.578 ( 2.641 -0.043 -0.929) 2.800 5.076 ( 4.717 6.380 -4.011) 8.891 5.177 ( 5.291 2.892 -8.951) 10.792 5.283 ( 3.551 -3.819 0.618) 5.251 5.566 ( -4.697 6.622 4.556) 9.309 5.683 ( -2.131 1.040 1.807) 2.981 5.843 ( 4.262 2.428 -4.469) 6.635 5.905 ( 3.955 -3.469 -4.255) 6.766 5.976 ( -14.462 -1.334 -0.576) 14.535 6.395 ( -8.090 -2.302 3.539) 9.125 6.413 ( -4.492 -1.609 1.525) 5.009 6.648 ( -5.252 0.429 7.986) 9.568 7.012 ( -3.504 1.144 -6.223) 7.233 7.073 ( 7.664 -1.000 9.070) 11.917 7.302 ( -0.811 -1.427 8.292) 8.453 7.639 ( 0.583 0.019 -5.778) 5.807 7.758 ( -13.774 -2.059 -9.009) 16.587 7.789 ( 0.673 -1.874 -2.658) 3.321 7.890 ( -2.881 -0.873 3.943) 4.961 8.105 ( 1.125 1.970 -8.009) 8.324 8.210 ( -4.148 -2.135 -2.422) 5.256 8.272 ( -2.218 -0.078 4.564) 5.075 8.902 ( 5.113 2.270 8.701) 10.344 8.996 ( 4.425 -0.095 -3.350) 5.551 9.105 ( -2.006 -1.191 3.919) 4.561 9.823 ( -3.866 1.053 -17.500) 17.953 9.944 ( -3.154 8.950 21.670) 23.657 10.263 ( -5.116 -1.580 -7.799) 9.460 10.565 ( -3.095 -6.074 5.702) 8.887 11.091 ( -0.133 1.107 -1.264) 1.686 11.609 ( 0.382 0.127 1.910) 1.952 11.670 ( 2.777 -1.140 8.322) 8.847 12.569 ( -1.776 3.725 3.180) 5.210 12.596 ( -1.562 5.402 -3.407) 6.575 12.931 ( -3.861 4.863 11.360) 12.947 13.161 ( 1.154 5.531 -5.486) 7.875 13.310 ( 0.435 -1.069 -10.451) 10.514 13.365 ( -2.661 -0.113 -3.388) 4.309 13.744 ( -0.103 6.653 4.437) 7.998 13.985 ( 0.567 -2.573 1.826) 3.206 14.106 ( -2.988 -8.361 3.806) 9.660 14.439 ( 3.407 2.037 -1.807) 4.362 15.170 ( -1.652 -2.727 -19.170) 19.433 15.293 ( 5.639 -5.982 -9.386) 12.477 15.806 ( -32.462 7.724 0.017) 33.368 16.259 ( -35.164 -12.805 2.581) 37.512 16.961 ( -14.717 6.964 2.262) 16.438 17.450 ( -2.386 -0.284 -3.697) 4.409 17.742 ( 3.020 3.331 -6.219) 7.674 18.013 ( -7.559 0.084 -0.593) 7.583 18.480 ( -4.927 13.307 9.751) 17.217 18.562 ( -3.548 7.350 2.424) 8.513 18.875 ( 4.117 -2.675 0.828) 4.979 19.381 ( -0.733 -17.062 -9.645) 19.613 19.769 ( -2.321 0.249 -1.727) 2.903 19.895 ( -0.024 -2.037 1.745) 2.682 20.460 ( 10.600 1.454 -1.625) 10.821 20.582 ( 2.507 -0.185 -3.402) 4.230 21.248 ( -7.862 15.136 5.943) 18.062 21.611 ( 2.111 -0.006 7.852) 8.131 ======================= Grid point 184 (83/172) ======================= q-point: (-0.10 -0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -18.199 -12.471 3.002) 22.265 1.486 ( -24.785 -15.376 -9.164) 30.572 1.891 ( -15.490 -14.156 -3.909) 21.345 2.405 ( -7.361 -7.070 -8.375) 13.203 2.879 ( -4.901 2.545 7.884) 9.626 3.018 ( -9.392 2.233 -2.346) 9.934 3.100 ( -2.614 -8.752 2.199) 9.395 3.200 ( 2.284 3.555 -3.708) 5.622 3.531 ( -1.345 2.089 6.819) 7.258 3.700 ( 1.773 -4.201 -7.475) 8.756 4.068 ( 6.828 3.189 5.794) 9.506 4.202 ( 7.767 -5.743 1.869) 9.839 4.619 ( 4.989 -0.864 -1.435) 5.262 4.965 ( 5.590 7.934 -6.909) 11.913 5.129 ( 5.723 4.732 -2.160) 7.734 5.325 ( -5.917 8.625 6.919) 12.541 5.425 ( 2.852 -4.028 -9.116) 10.366 5.671 ( -2.458 1.686 8.664) 9.162 5.738 ( -6.160 3.434 -5.665) 9.046 5.981 ( 1.388 -4.854 -2.838) 5.792 6.008 ( 0.951 -5.238 -1.969) 5.676 6.393 ( -7.507 -4.413 3.362) 9.335 6.467 ( 0.775 -3.380 6.194) 7.098 6.622 ( -6.192 -0.518 5.543) 8.326 6.934 ( -0.895 2.587 -7.685) 8.158 7.177 ( 3.783 -0.334 8.238) 9.071 7.354 ( -0.554 -1.225 8.296) 8.404 7.571 ( -3.809 1.523 -10.744) 11.500 7.645 ( -16.774 -2.971 -6.499) 18.233 7.816 ( 1.051 -1.230 -6.213) 6.421 7.891 ( -2.566 -1.465 -0.974) 3.111 8.079 ( 0.305 -1.256 -7.450) 7.562 8.186 ( -5.079 0.149 5.211) 7.279 8.303 ( 1.192 -1.446 5.615) 5.919 8.901 ( 1.041 3.689 4.263) 5.732 9.015 ( 4.448 0.054 -4.014) 5.992 9.132 ( -0.725 -1.469 1.691) 2.355 9.649 ( -9.669 5.382 -16.393) 19.778 9.822 ( -11.486 5.327 22.973) 26.231 10.252 ( 0.139 -2.201 -5.310) 5.750 10.716 ( 3.444 -6.066 7.016) 9.893 11.046 ( -1.158 2.044 -2.852) 3.695 11.615 ( 0.701 0.434 2.226) 2.374 11.752 ( 2.210 -1.454 9.595) 9.953 12.303 ( -10.404 12.810 -5.035) 17.253 12.582 ( -0.410 1.017 2.075) 2.347 12.801 ( -8.708 6.471 -0.561) 10.864 12.980 ( -3.625 6.647 -5.717) 9.487 13.297 ( -2.372 -0.947 -1.683) 3.059 13.382 ( 1.145 -3.114 -1.646) 3.704 13.662 ( -0.289 3.291 1.469) 3.615 14.021 ( 2.033 -1.626 -2.772) 3.803 14.227 ( -3.348 -5.066 2.155) 6.444 14.509 ( 7.224 -5.596 3.016) 9.623 15.170 ( -4.221 -1.391 -9.227) 10.241 15.281 ( -13.971 -0.341 -1.803) 14.091 15.684 ( 8.742 -6.521 -4.116) 11.657 16.237 ( -29.255 -13.078 3.512) 32.237 16.661 ( -23.463 6.362 0.421) 24.314 17.401 ( -1.365 1.811 -6.259) 6.657 17.670 ( -4.014 2.868 -0.698) 4.982 17.964 ( -5.963 -1.537 -0.944) 6.230 18.310 ( 2.391 5.673 11.907) 13.404 18.492 ( 4.818 4.854 2.564) 7.304 18.914 ( -0.458 -0.473 -3.793) 3.850 19.577 ( -1.312 -8.638 -10.893) 13.964 19.751 ( -2.060 -0.862 0.899) 2.408 19.958 ( -1.498 -5.656 -1.523) 6.046 20.495 ( 7.930 2.556 -0.038) 8.332 20.591 ( 0.576 -0.007 -0.457) 0.735 20.917 ( -14.932 12.158 7.900) 20.813 21.568 ( 0.563 7.797 1.575) 7.974 ======================= Grid point 193 (84/172) ======================= q-point: (-0.20 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -27.199 -0.000 2.215) 27.289 1.091 ( -33.664 -0.000 -21.244) 39.807 1.686 ( -39.492 -0.000 7.260) 40.153 2.278 ( -3.975 -0.000 -17.246) 17.699 2.822 ( -8.759 -0.000 5.481) 10.332 2.937 ( -4.952 -0.000 9.379) 10.606 3.213 ( -5.429 -0.000 -10.172) 11.530 3.223 ( -8.281 -0.000 7.800) 11.376 3.449 ( 10.034 0.000 6.521) 11.967 3.692 ( 1.182 0.000 -6.425) 6.532 4.068 ( 7.952 0.000 6.847) 10.494 4.134 ( 9.926 0.000 -4.685) 10.976 4.590 ( 4.211 0.000 -4.628) 6.258 5.198 ( 6.601 0.000 -9.939) 11.932 5.199 ( 6.173 0.000 -1.567) 6.369 5.254 ( 2.873 0.000 -0.927) 3.019 5.611 ( -9.831 -0.000 6.038) 11.537 5.630 ( -5.932 -0.000 -5.002) 7.760 5.857 ( -11.758 -0.000 2.820) 12.092 5.885 ( 4.877 0.000 -4.404) 6.571 5.901 ( 3.565 0.000 -0.474) 3.596 6.291 ( -10.860 -0.000 -2.710) 11.193 6.432 ( 4.441 0.000 7.533) 8.745 6.644 ( -5.667 -0.000 8.460) 10.183 6.911 ( -6.874 -0.000 -12.016) 13.844 7.167 ( 5.356 0.000 9.066) 10.530 7.331 ( 0.605 0.000 10.978) 10.995 7.518 ( -22.171 -0.000 -8.463) 23.731 7.642 ( -0.242 -0.000 -3.828) 3.836 7.771 ( 0.875 0.000 -8.456) 8.501 7.860 ( -5.153 -0.000 1.932) 5.503 8.089 ( 0.069 0.000 -12.181) 12.181 8.198 ( 2.366 0.000 4.685) 5.248 8.268 ( -1.887 -0.000 4.204) 4.609 8.987 ( 2.623 0.000 5.226) 5.847 9.014 ( 3.744 0.000 -3.681) 5.250 9.087 ( -2.145 -0.000 2.643) 3.404 9.726 ( -3.379 -0.000 -21.867) 22.127 10.172 ( -6.182 -0.000 -6.409) 8.905 10.182 ( 5.654 0.000 31.442) 31.947 10.463 ( -5.973 -0.000 6.256) 8.650 11.090 ( -0.921 -0.000 -2.469) 2.635 11.624 ( 0.886 0.000 1.325) 1.594 11.729 ( 3.727 0.000 12.685) 13.221 12.589 ( -0.507 -0.000 3.061) 3.103 12.641 ( -1.623 -0.000 -2.774) 3.214 13.019 ( -1.118 -0.000 16.104) 16.143 13.229 ( 1.717 0.000 0.057) 1.718 13.238 ( -0.178 -0.000 -31.560) 31.561 13.308 ( -5.322 -0.000 -2.946) 6.083 13.881 ( -4.478 -0.000 0.877) 4.563 13.918 ( 1.551 0.000 6.322) 6.509 14.000 ( -2.124 -0.000 0.715) 2.241 14.487 ( 3.384 0.000 -1.854) 3.858 15.070 ( 0.323 0.000 -16.597) 16.601 15.193 ( -2.997 -0.000 -3.415) 4.544 15.591 ( -36.271 -0.000 0.104) 36.271 15.945 ( -14.624 -0.000 3.902) 15.136 16.923 ( -16.445 -0.000 0.584) 16.456 17.413 ( -2.589 -0.000 -2.007) 3.275 17.776 ( 3.772 0.000 -6.339) 7.376 17.962 ( -5.329 -0.000 0.704) 5.376 18.620 ( -0.055 -0.000 3.599) 3.600 18.668 ( -8.331 -0.000 2.274) 8.636 18.885 ( 3.147 0.000 3.919) 5.026 19.044 ( -7.269 -0.000 -19.415) 20.731 19.748 ( -1.673 -0.000 -1.349) 2.149 19.884 ( -0.473 -0.000 0.986) 1.093 20.546 ( 8.654 0.000 -1.287) 8.749 20.586 ( 1.807 0.000 -2.059) 2.739 21.438 ( 0.948 0.000 -2.628) 2.793 21.634 ( 0.931 0.000 17.093) 17.118 ======================= Grid point 194 (85/172) ======================= q-point: (-0.10 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -18.615 -15.143 12.034) 26.845 0.924 ( -26.999 -17.581 -9.812) 33.679 1.473 ( -36.121 -11.175 10.624) 39.274 2.200 ( -6.422 -3.252 -15.197) 16.816 2.814 ( -7.428 -6.004 -2.833) 9.963 2.963 ( -3.179 -0.530 2.495) 4.075 3.046 ( -7.363 4.509 6.847) 11.019 3.224 ( -3.947 0.195 0.771) 4.026 3.592 ( 7.213 -4.358 4.136) 9.388 3.657 ( 2.470 2.912 -2.970) 4.838 4.161 ( 4.480 0.690 -0.528) 4.563 4.203 ( 10.254 -3.086 1.578) 10.823 4.623 ( 5.462 -1.744 -5.273) 7.790 5.135 ( 6.750 7.883 -5.703) 11.842 5.218 ( 5.914 1.304 -3.048) 6.780 5.346 ( 5.541 -5.122 -3.468) 8.305 5.438 ( -10.044 8.053 -0.155) 12.875 5.604 ( -9.275 -3.001 -3.596) 10.391 5.765 ( -6.675 3.534 5.529) 9.360 5.940 ( 4.833 -2.436 0.161) 5.415 5.947 ( 2.617 -2.389 0.233) 3.551 6.230 ( -8.833 -5.525 2.316) 10.673 6.513 ( 7.608 0.928 8.266) 11.273 6.617 ( -6.042 1.090 7.949) 10.044 6.856 ( -4.829 -3.479 -11.814) 13.229 7.206 ( -2.860 0.612 4.161) 5.086 7.358 ( -10.958 -3.784 -2.390) 11.836 7.386 ( -5.968 -1.844 4.567) 7.738 7.602 ( -0.264 2.683 -5.823) 6.417 7.739 ( -1.607 -2.099 -12.006) 12.293 7.832 ( -4.913 -1.301 0.166) 5.085 8.049 ( 0.090 0.171 -5.165) 5.168 8.210 ( 0.235 1.943 4.428) 4.841 8.299 ( 0.254 -2.081 4.465) 4.932 8.967 ( -2.019 3.369 -0.475) 3.957 9.032 ( 3.260 -0.411 -3.131) 4.538 9.101 ( -0.945 -1.637 1.044) 2.159 9.557 ( -10.426 3.877 -27.930) 30.064 9.977 ( -13.221 11.756 19.748) 26.514 10.263 ( 5.190 2.613 8.367) 10.187 10.638 ( 3.857 -9.934 12.258) 16.243 11.054 ( -1.143 1.301 -3.733) 4.116 11.633 ( 0.787 0.058 0.909) 1.204 11.821 ( 4.526 0.255 16.474) 17.086 12.468 ( -11.719 18.687 -2.923) 22.251 12.595 ( -0.636 0.501 0.934) 1.236 12.785 ( -17.702 9.650 -27.147) 33.815 13.075 ( -0.482 5.992 11.109) 12.631 13.255 ( -2.630 -0.713 -1.228) 2.989 13.314 ( 0.255 -4.962 2.447) 5.538 13.740 ( -2.263 5.732 1.622) 6.373 13.989 ( 0.728 -1.533 -1.167) 2.060 14.098 ( -2.116 -7.681 4.829) 9.316 14.535 ( 10.550 -1.982 -1.028) 10.784 15.068 ( -0.938 -3.459 -3.736) 5.177 15.157 ( -16.083 0.417 -1.466) 16.155 15.451 ( -13.402 -13.467 -4.288) 19.477 15.982 ( 3.177 -6.952 5.997) 9.716 16.632 ( -25.424 12.643 -0.517) 28.398 17.383 ( -1.881 0.444 -4.434) 4.837 17.694 ( -8.137 7.747 -3.466) 11.758 17.901 ( -4.732 0.166 -0.909) 4.821 18.455 ( -0.010 5.112 7.393) 8.988 18.602 ( 0.550 3.086 2.336) 3.909 18.879 ( -1.574 -1.141 -11.966) 12.123 19.241 ( -3.538 -20.205 -11.250) 23.394 19.734 ( -0.895 -0.114 -0.337) 0.963 19.891 ( -0.922 -1.270 0.002) 1.570 20.580 ( 3.878 1.308 -0.505) 4.123 20.602 ( 3.178 0.206 -0.301) 3.198 21.142 ( -13.357 23.393 9.347) 28.513 21.687 ( 0.994 4.242 2.891) 5.229 ======================= Grid point 204 (86/172) ======================= q-point: (-0.10 -0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( -19.075 -0.000 20.468) 27.979 0.570 ( -17.877 -0.000 25.962) 31.521 1.060 ( -48.166 -0.000 21.116) 52.592 2.080 ( -1.067 -0.000 -15.926) 15.962 2.666 ( -7.005 -0.000 -10.536) 12.652 2.910 ( -6.474 -0.000 6.543) 9.205 3.119 ( -1.602 -0.000 4.675) 4.942 3.176 ( -5.821 -0.000 9.446) 11.095 3.566 ( 0.861 0.000 -8.585) 8.628 3.746 ( 5.900 0.000 9.499) 11.182 4.165 ( 0.463 0.000 -7.204) 7.219 4.263 ( 10.297 0.000 2.156) 10.520 4.630 ( 7.198 0.000 -2.818) 7.730 5.264 ( 6.771 0.000 -2.227) 7.128 5.267 ( 4.324 0.000 -3.963) 5.865 5.296 ( 4.776 0.000 -9.908) 10.999 5.407 ( -12.621 -0.000 3.248) 13.032 5.495 ( -4.995 -0.000 -4.330) 6.610 5.755 ( -7.812 -0.000 5.077) 9.317 5.963 ( 2.551 0.000 4.797) 5.433 5.995 ( 6.852 0.000 8.855) 11.196 6.130 ( 0.832 0.000 6.822) 6.873 6.602 ( -6.954 -0.000 7.658) 10.344 6.653 ( 11.067 0.000 12.068) 16.374 6.702 ( -6.652 -0.000 -13.067) 14.663 7.124 ( -17.266 -0.000 -4.136) 17.754 7.234 ( -0.856 -0.000 2.682) 2.815 7.348 ( -8.524 -0.000 -9.653) 12.878 7.614 ( 0.239 0.000 -2.791) 2.801 7.660 ( -2.955 -0.000 -3.300) 4.430 7.781 ( -4.370 -0.000 0.692) 4.424 8.036 ( -0.661 -0.000 -1.716) 1.839 8.268 ( -0.671 -0.000 0.238) 0.712 8.274 ( 0.974 0.000 5.768) 5.850 8.979 ( -3.702 -0.000 -4.888) 6.132 9.019 ( 0.976 0.000 -4.842) 4.940 9.084 ( 0.347 0.000 0.272) 0.441 9.367 ( -19.259 -0.000 -33.173) 38.358 10.049 ( -3.624 -0.000 -2.434) 4.366 10.441 ( -3.892 -0.000 7.161) 8.151 10.641 ( 15.302 0.000 24.044) 28.500 11.042 ( -0.224 -0.000 -3.823) 3.830 11.638 ( 0.185 0.000 -0.359) 0.404 11.932 ( 3.388 0.000 11.808) 12.285 12.555 ( -23.896 -0.000 -42.846) 49.060 12.590 ( -1.077 -0.000 0.174) 1.091 12.677 ( -3.241 -0.000 0.730) 3.322 13.218 ( -2.988 -0.000 -1.040) 3.164 13.254 ( 0.592 0.000 1.978) 2.065 13.396 ( 25.484 0.000 38.269) 45.978 13.816 ( -3.539 -0.000 4.442) 5.679 13.958 ( -0.411 -0.000 2.608) 2.640 14.107 ( 19.445 0.000 21.614) 29.074 14.528 ( 3.674 0.000 -2.429) 4.404 15.021 ( -12.689 -0.000 -0.648) 12.705 15.022 ( -6.022 -0.000 3.987) 7.222 15.201 ( -6.698 -0.000 2.659) 7.207 15.995 ( 12.156 0.000 4.886) 13.101 16.604 ( -21.753 -0.000 0.912) 21.772 17.346 ( -4.081 -0.000 -8.737) 9.643 17.806 ( 4.394 0.000 -1.905) 4.789 17.894 ( -3.346 -0.000 -2.713) 4.308 18.348 ( -42.958 -0.000 -54.402) 69.318 18.574 ( -3.971 -0.000 4.277) 5.836 18.644 ( -1.304 -0.000 1.147) 1.737 19.074 ( 6.962 0.000 15.205) 16.723 19.727 ( -0.293 -0.000 -0.100) 0.309 19.875 ( -0.754 -0.000 -0.197) 0.780 20.604 ( 0.922 0.000 1.080) 1.420 20.641 ( 3.934 0.000 -0.408) 3.955 21.443 ( 2.462 0.000 -2.577) 3.564 21.767 ( 0.377 0.000 -2.749) 2.775 ======================= Grid point 205 (87/172) ======================= 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -22.020 -0.000 25.010) 33.322 1.072 ( -0.494 -0.000 26.209) 26.214 1.811 ( 18.291 0.000 -16.131) 24.388 1.996 ( 1.977 0.000 -12.117) 12.278 2.252 ( 13.504 0.000 41.901) 44.023 2.911 ( -8.176 -0.000 5.140) 9.657 3.135 ( 2.704 0.000 -4.419) 5.181 3.350 ( -5.515 -0.000 2.271) 5.965 3.612 ( 3.435 0.000 3.686) 5.038 3.813 ( -4.806 -0.000 -10.882) 11.896 4.147 ( 1.659 0.000 11.693) 11.810 4.438 ( 2.712 0.000 0.420) 2.745 4.650 ( 4.072 0.000 -10.444) 11.210 4.701 ( -5.015 -0.000 -22.824) 23.369 5.265 ( 2.722 0.000 0.248) 2.734 5.386 ( -3.122 -0.000 -3.254) 4.509 5.405 ( -0.823 -0.000 1.686) 1.876 5.484 ( 10.750 0.000 -1.115) 10.807 5.859 ( 3.591 0.000 9.310) 9.978 6.007 ( -4.010 -0.000 0.641) 4.061 6.207 ( 0.378 0.000 6.462) 6.473 6.324 ( -6.183 -0.000 -1.598) 6.386 6.368 ( -6.278 -0.000 -2.330) 6.696 6.600 ( -8.564 -0.000 -16.599) 18.678 6.866 ( -3.396 -0.000 0.295) 3.409 7.049 ( 20.399 0.000 -5.897) 21.234 7.242 ( 16.724 0.000 8.595) 18.804 7.361 ( 1.077 0.000 1.305) 1.692 7.644 ( 5.761 0.000 3.228) 6.604 7.698 ( -11.783 -0.000 1.829) 11.924 7.852 ( 1.727 0.000 6.339) 6.570 8.018 ( -6.866 -0.000 -0.582) 6.891 8.410 ( -1.353 -0.000 3.811) 4.045 8.433 ( 7.392 0.000 6.612) 9.918 8.537 ( -1.401 -0.000 -2.015) 2.454 8.799 ( -3.904 -0.000 -10.301) 11.016 9.020 ( -6.373 -0.000 2.077) 6.703 9.083 ( 3.166 0.000 -1.146) 3.367 10.123 ( 5.294 0.000 7.074) 8.836 10.471 ( -7.008 -0.000 -8.997) 11.405 10.619 ( -2.956 -0.000 10.984) 11.375 10.992 ( -1.038 -0.000 -5.704) 5.797 11.572 ( -1.667 -0.000 -2.863) 3.312 11.581 ( -3.673 -0.000 -4.948) 6.162 12.310 ( 6.382 0.000 1.865) 6.649 12.484 ( -3.151 -0.000 -4.891) 5.818 13.029 ( 0.118 0.000 9.916) 9.917 13.209 ( 2.317 0.000 -0.572) 2.387 13.378 ( 0.011 0.000 5.859) 5.859 13.610 ( 2.141 0.000 -6.065) 6.432 13.912 ( 1.302 0.000 2.394) 2.725 13.972 ( -3.617 -0.000 0.470) 3.647 14.493 ( -0.280 -0.000 -0.892) 0.935 14.737 ( 2.331 0.000 -11.730) 11.959 14.925 ( 2.622 0.000 1.017) 2.812 14.973 ( -5.708 -0.000 -2.382) 6.185 16.109 ( -11.219 -0.000 -0.203) 11.220 16.123 ( 16.887 0.000 -0.365) 16.891 16.603 ( 5.833 0.000 8.746) 10.513 16.702 ( 5.082 0.000 4.489) 6.781 17.560 ( -1.138 -0.000 -4.120) 4.274 17.645 ( -3.010 -0.000 -8.033) 8.578 18.136 ( 12.011 0.000 10.088) 15.685 18.472 ( -6.128 -0.000 -6.857) 9.197 18.822 ( -1.069 -0.000 11.746) 11.795 19.296 ( 16.037 0.000 -12.474) 20.317 19.763 ( 1.258 0.000 1.800) 2.197 19.834 ( -0.789 -0.000 -1.761) 1.930 20.654 ( -2.194 -0.000 1.361) 2.582 20.674 ( 1.001 0.000 0.017) 1.001 21.297 ( -22.561 -0.000 5.068) 23.123 21.445 ( 6.078 0.000 -2.334) 6.511 ======================= Grid point 206 (88/172) ======================= q-point: ( 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -7.372 -8.798 19.119) 22.300 1.310 ( 5.841 -11.560 23.960) 27.237 1.865 ( 15.884 0.679 -15.194) 21.992 2.056 ( 8.998 -9.493 -20.508) 24.324 2.576 ( 13.086 -0.246 38.800) 40.949 2.958 ( -0.182 -7.291 9.376) 11.878 3.152 ( 5.865 0.268 -5.532) 8.067 3.238 ( -6.451 4.890 -4.062) 9.057 3.653 ( 1.028 -0.688 4.070) 4.254 3.739 ( -5.616 -0.785 -8.413) 10.145 4.195 ( -1.204 0.174 11.488) 11.552 4.439 ( -2.948 -0.063 -0.965) 3.103 4.583 ( -0.765 -0.654 -15.460) 15.493 4.609 ( -5.021 0.742 -12.579) 13.564 5.261 ( 1.758 3.352 1.419) 4.043 5.352 ( -3.469 -1.780 -2.731) 4.760 5.415 ( 2.268 -0.381 -3.194) 3.936 5.558 ( 11.766 1.600 -1.161) 11.931 5.943 ( 2.467 -1.392 9.296) 9.718 6.012 ( -3.271 -2.460 -0.262) 4.101 6.226 ( -1.223 1.737 6.032) 6.395 6.251 ( -3.509 -0.234 0.453) 3.546 6.342 ( -3.732 -3.308 -0.608) 5.024 6.459 ( -5.246 2.495 -10.656) 12.136 6.840 ( 1.071 2.756 1.511) 3.320 7.154 ( 5.255 -0.862 -2.649) 5.948 7.318 ( 4.943 3.854 -3.142) 7.012 7.443 ( 13.928 -3.524 -5.672) 15.446 7.615 ( -10.863 -0.490 3.748) 11.502 7.725 ( 7.296 -0.876 4.657) 8.700 7.921 ( 5.096 -1.463 8.433) 9.961 7.977 ( -5.222 -2.083 -2.120) 6.008 8.405 ( -5.013 -0.066 3.640) 6.195 8.467 ( -2.594 -2.538 -1.218) 3.828 8.618 ( 12.475 -0.189 6.222) 13.942 8.728 ( -3.833 -0.720 -11.150) 11.812 8.992 ( -1.442 -0.356 1.766) 2.307 9.114 ( 3.116 -0.602 -0.493) 3.211 10.215 ( 7.290 -0.035 8.379) 11.107 10.404 ( -3.116 -1.620 -8.740) 9.419 10.654 ( -1.636 -0.654 11.664) 11.797 10.964 ( -0.306 -0.179 -6.815) 6.824 11.541 ( -0.315 -0.485 -0.323) 0.662 11.587 ( -1.745 -2.924 -3.528) 4.903 12.361 ( 6.202 1.178 1.895) 6.591 12.426 ( -2.514 1.557 -5.259) 6.034 12.998 ( 1.286 7.368 9.594) 12.165 13.177 ( 1.311 5.759 -3.016) 6.632 13.404 ( 0.043 0.105 6.054) 6.056 13.595 ( 0.815 1.006 -5.764) 5.908 13.890 ( -1.547 0.663 2.522) 3.033 13.984 ( -1.046 -0.593 -1.922) 2.267 14.382 ( -7.883 7.749 5.194) 12.213 14.584 ( -9.736 3.123 -6.750) 12.252 14.978 ( 3.651 -1.598 -0.724) 4.050 15.055 ( 14.655 -6.150 0.376) 15.898 15.901 ( -7.086 5.729 3.625) 9.807 16.177 ( 14.196 3.279 -1.511) 14.648 16.556 ( -14.992 3.889 6.426) 16.769 17.020 ( 28.404 -7.190 -1.836) 29.358 17.584 ( 8.324 -2.956 2.824) 9.274 17.699 ( -3.889 -8.127 -11.583) 14.675 18.187 ( 0.930 5.417 8.600) 10.206 18.437 ( -0.117 -2.783 -8.928) 9.353 18.894 ( -1.202 -3.036 9.076) 9.646 19.372 ( 18.013 1.348 -16.019) 24.143 19.797 ( 1.275 -1.458 0.850) 2.115 19.840 ( 1.632 -2.146 -2.468) 3.655 20.589 ( -7.926 3.457 2.960) 9.140 20.667 ( -0.046 0.981 0.007) 0.982 21.090 ( -12.453 6.178 14.120) 19.815 21.458 ( 2.787 3.400 -4.240) 6.108 ======================= Grid point 207 (89/172) ======================= q-point: ( 0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -2.465 -8.436 9.934) 13.264 1.710 ( 8.554 -16.057 17.779) 25.438 1.974 ( 11.755 -6.766 -11.467) 17.761 2.268 ( 13.675 -11.059 -16.234) 23.935 2.716 ( 0.874 1.689 15.072) 15.191 3.050 ( -0.943 4.336 -10.012) 10.952 3.166 ( 5.945 -3.225 10.682) 12.643 3.226 ( 9.389 0.422 0.915) 9.443 3.682 ( -1.349 -0.178 5.175) 5.351 3.698 ( -4.267 -3.361 -5.703) 7.876 4.178 ( -8.467 3.438 8.001) 12.146 4.420 ( -2.339 -1.911 2.059) 3.655 4.487 ( -7.161 1.605 -7.822) 10.726 4.580 ( 1.236 -4.223 -10.398) 11.291 5.197 ( 1.636 5.300 1.139) 5.663 5.354 ( -4.145 -0.915 0.353) 4.260 5.456 ( 4.674 -4.754 -5.561) 8.682 5.592 ( 9.939 4.735 -0.441) 11.019 5.965 ( -4.196 4.136 2.848) 6.544 5.995 ( -4.928 -1.472 4.815) 7.045 6.203 ( 1.644 -0.350 -0.235) 1.697 6.335 ( 2.122 -3.793 -0.999) 4.460 6.357 ( -2.428 2.190 -2.920) 4.383 6.425 ( 1.515 -8.435 2.464) 8.917 6.775 ( -1.340 4.692 4.232) 6.459 7.191 ( -2.378 -3.776 -0.987) 4.571 7.253 ( 7.152 5.507 -8.905) 12.680 7.552 ( 5.356 -1.951 -5.692) 8.056 7.577 ( -5.400 -1.325 1.643) 5.798 7.800 ( 5.024 0.242 2.848) 5.780 8.004 ( -0.946 -4.627 -2.857) 5.519 8.056 ( 10.330 -2.168 10.350) 14.783 8.362 ( -8.608 0.516 4.066) 9.534 8.472 ( -4.283 -1.414 -2.275) 5.052 8.678 ( 0.752 -1.842 -9.919) 10.117 8.753 ( 6.753 -1.634 5.112) 8.626 9.040 ( 5.344 -2.628 0.941) 6.029 9.146 ( 2.681 -0.656 0.150) 2.764 10.249 ( 0.644 3.255 5.098) 6.082 10.426 ( 4.450 -3.164 -6.141) 8.218 10.700 ( -0.573 0.175 11.912) 11.927 10.938 ( 1.348 0.389 -6.379) 6.532 11.586 ( 1.380 -3.231 3.198) 4.751 11.622 ( -1.492 -3.976 -3.093) 5.253 12.300 ( -3.154 5.705 -3.307) 7.310 12.421 ( 6.293 1.057 1.134) 6.481 12.893 ( 2.768 10.102 9.898) 14.412 12.999 ( -2.366 10.320 -7.254) 12.834 13.421 ( 1.098 1.541 5.976) 6.268 13.528 ( -1.832 2.967 -5.425) 6.449 13.879 ( -5.136 2.590 2.468) 6.259 13.933 ( -3.041 -2.554 -2.630) 4.763 14.311 ( -5.258 -3.569 5.386) 8.331 14.505 ( -1.291 0.386 -1.191) 1.799 15.058 ( 7.324 -2.559 -0.927) 7.814 15.335 ( 18.958 -8.428 0.011) 20.747 15.840 ( -1.460 -0.852 -3.966) 4.311 16.186 ( 21.738 12.136 0.033) 24.897 16.459 ( -18.042 -9.436 3.628) 20.681 17.290 ( 19.552 -2.731 -1.149) 19.775 17.716 ( -5.089 -4.283 -10.259) 12.227 17.764 ( 10.054 -1.613 7.415) 12.596 18.149 ( -1.768 -0.374 9.797) 9.962 18.438 ( 0.847 0.211 -6.924) 6.979 18.929 ( -4.464 -0.292 2.983) 5.376 19.405 ( 14.244 2.961 -11.664) 18.646 19.832 ( 0.108 -2.366 0.824) 2.508 19.924 ( 5.929 -4.440 -5.607) 9.290 20.482 ( -8.294 1.792 5.703) 10.224 20.647 ( 0.085 0.898 -0.472) 1.019 21.002 ( -4.206 3.842 13.165) 14.345 21.350 ( 1.436 7.621 -5.625) 9.581 ======================= Grid point 208 (90/172) ======================= q-point: ( 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -0.194 -6.585 2.794) 7.156 2.090 ( 4.829 -13.582 0.512) 14.424 2.195 ( 11.136 -10.194 0.431) 15.104 2.486 ( 7.326 -8.764 -9.805) 15.054 2.702 ( -3.504 -0.895 1.091) 3.777 2.989 ( 4.879 3.529 0.163) 6.023 3.217 ( 4.396 2.403 -2.073) 5.422 3.282 ( 9.529 3.475 4.308) 11.020 3.674 ( -7.190 0.635 5.763) 9.237 3.735 ( -0.294 -4.984 -5.537) 7.455 4.016 ( -11.733 5.734 3.114) 13.425 4.387 ( -2.679 0.914 -4.959) 5.710 4.507 ( -0.282 -4.441 6.294) 7.708 4.643 ( 2.120 -4.172 -5.637) 7.326 5.123 ( 1.346 5.076 1.667) 5.509 5.342 ( -3.699 -2.402 -0.696) 4.465 5.543 ( 7.042 9.417 5.920) 13.165 5.599 ( 6.253 -5.869 -2.774) 9.013 5.840 ( -7.135 4.192 2.465) 8.635 5.981 ( -6.836 -1.443 0.418) 6.999 6.245 ( 5.051 -1.328 -5.964) 7.928 6.293 ( -1.563 2.110 -2.576) 3.678 6.352 ( -3.065 -1.859 -3.243) 4.834 6.644 ( 2.165 -7.341 6.931) 10.326 6.777 ( 5.662 -3.116 6.728) 9.329 7.164 ( 2.958 3.753 -7.594) 8.973 7.258 ( 3.010 -2.376 -0.994) 3.961 7.564 ( -4.930 -1.546 -2.175) 5.606 7.581 ( 0.648 -1.472 -3.122) 3.512 7.827 ( 2.870 0.848 0.957) 3.142 8.075 ( 0.511 -4.512 -3.985) 6.042 8.208 ( 6.906 -0.538 5.839) 9.060 8.282 ( -8.335 0.243 1.948) 8.563 8.446 ( -3.011 -0.300 0.925) 3.164 8.697 ( 2.962 -1.355 -3.982) 5.145 8.839 ( 1.793 -2.486 2.190) 3.767 9.121 ( 2.883 -0.699 -0.174) 2.972 9.232 ( 8.707 -4.677 2.456) 10.184 10.181 ( -3.087 4.781 3.703) 6.790 10.485 ( 4.655 -0.950 -6.215) 7.823 10.722 ( -0.160 1.549 10.085) 10.205 10.933 ( 3.011 0.072 -2.687) 4.036 11.665 ( -0.685 -4.236 -3.464) 5.514 11.691 ( 1.291 -3.771 4.695) 6.159 12.142 ( -3.143 7.438 0.527) 8.092 12.453 ( 5.965 1.616 1.060) 6.270 12.737 ( -4.522 8.120 -11.720) 14.958 12.822 ( 3.118 7.092 8.209) 11.287 13.388 ( -2.116 3.269 2.465) 4.609 13.469 ( -0.028 0.449 -3.434) 3.463 13.812 ( -5.647 0.767 1.720) 5.953 13.964 ( -0.431 -2.434 -2.119) 3.256 14.386 ( -2.214 -5.563 2.229) 6.389 14.515 ( 1.177 -1.026 1.939) 2.489 15.165 ( 7.774 -2.400 -0.856) 8.181 15.557 ( 7.899 -2.713 -3.639) 9.110 15.828 ( 2.735 1.235 -3.693) 4.758 16.264 ( 24.608 -2.263 2.827) 24.873 16.576 ( -3.970 -10.921 0.352) 11.625 17.428 ( 8.736 0.161 -4.051) 9.631 17.664 ( -3.923 -0.181 -4.020) 5.620 17.866 ( 3.081 -0.708 7.384) 8.032 18.227 ( -0.883 -1.869 8.730) 8.971 18.393 ( 0.291 2.520 -1.006) 2.729 18.878 ( -4.284 0.803 -3.725) 5.733 19.419 ( 10.947 2.476 -7.597) 13.554 19.899 ( 0.845 -3.789 2.657) 4.704 20.017 ( 5.077 -3.467 -6.359) 8.845 20.443 ( -5.532 -0.751 4.495) 7.167 20.648 ( 1.086 -1.349 -1.123) 2.064 20.953 ( -2.486 4.568 10.512) 11.729 21.197 ( 0.947 7.650 -5.488) 9.462 ======================= Grid point 209 (91/172) ======================= q-point: ( 0.40 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 0.646 -3.934 -2.709) 4.820 2.201 ( -1.514 -2.223 -15.777) 16.004 2.444 ( 4.954 -6.062 6.801) 10.370 2.629 ( 5.239 -5.464 -0.442) 7.582 2.798 ( -0.546 -10.357 -0.597) 10.389 2.940 ( 3.045 7.344 4.308) 9.042 3.197 ( 4.158 2.271 1.135) 4.871 3.299 ( 3.854 2.021 -0.712) 4.409 3.580 ( -7.589 3.219 3.950) 9.141 3.798 ( 1.712 -2.671 -4.077) 5.167 3.889 ( -5.942 1.153 1.618) 6.266 4.360 ( 0.511 -0.457 -3.489) 3.556 4.587 ( -1.482 -2.453 5.377) 6.093 4.700 ( 2.597 -1.959 -2.361) 4.019 5.058 ( 0.848 3.937 1.793) 4.408 5.367 ( -2.973 -2.521 -3.834) 5.467 5.434 ( 0.017 10.501 16.216) 19.320 5.561 ( -0.090 5.236 -10.074) 11.353 5.908 ( -1.658 -8.783 -1.341) 9.038 5.939 ( -3.418 -1.662 1.673) 4.152 6.207 ( -3.778 1.799 -5.892) 7.226 6.298 ( 6.584 -0.409 -4.571) 8.025 6.381 ( -0.172 -3.727 1.884) 4.180 6.734 ( -0.654 -1.150 7.081) 7.203 6.948 ( 5.328 -3.641 -1.614) 6.652 7.131 ( 8.003 1.242 -0.315) 8.105 7.327 ( 2.617 -2.831 0.385) 3.875 7.505 ( -6.130 0.670 -7.631) 9.811 7.616 ( -2.795 -3.177 2.571) 4.951 7.831 ( 2.552 0.923 -1.700) 3.202 8.124 ( -1.462 -2.849 -3.606) 4.823 8.133 ( -11.406 0.921 -3.515) 11.970 8.311 ( 1.514 0.651 3.308) 3.696 8.464 ( 4.234 0.496 5.437) 6.909 8.730 ( 2.973 -0.649 -0.646) 3.111 8.894 ( 0.613 -2.138 0.540) 2.289 9.141 ( 1.310 -0.206 0.267) 1.353 9.418 ( 8.203 -5.979 3.379) 10.698 10.073 ( -5.313 5.356 5.807) 9.521 10.461 ( -0.350 2.535 -7.050) 7.500 10.759 ( 4.611 -0.040 7.696) 8.972 10.948 ( 1.239 -0.053 -0.529) 1.348 11.704 ( 1.291 -1.004 -4.883) 5.149 11.758 ( -2.456 -2.249 4.013) 5.215 12.044 ( -0.042 2.638 5.082) 5.726 12.466 ( 6.794 3.200 -2.578) 7.940 12.534 ( -8.247 1.444 -13.680) 16.039 12.801 ( 2.564 2.503 8.925) 9.617 13.343 ( -1.034 0.795 1.791) 2.216 13.450 ( 0.382 0.873 -2.691) 2.854 13.748 ( -4.781 2.079 -0.763) 5.269 13.997 ( 1.775 -1.302 -0.733) 2.320 14.460 ( -2.756 -2.739 3.649) 5.330 14.573 ( 2.649 -3.425 0.070) 4.331 15.238 ( 4.876 0.177 -0.547) 4.910 15.563 ( 0.895 1.197 -7.058) 7.215 15.825 ( 6.254 3.534 4.004) 8.224 16.563 ( 9.543 -8.865 0.058) 13.025 16.785 ( 15.739 -9.304 -0.461) 18.289 17.367 ( -6.677 3.927 -5.771) 9.659 17.641 ( -3.497 1.698 1.583) 4.197 17.932 ( 2.017 -2.946 3.997) 5.359 18.213 ( -3.814 2.152 4.320) 6.151 18.380 ( 3.773 2.711 5.625) 7.296 18.824 ( -2.955 -0.837 -8.286) 8.837 19.439 ( 7.817 0.862 -5.749) 9.741 19.981 ( 0.657 -2.411 4.097) 4.798 20.079 ( 2.851 -2.617 -3.804) 5.426 20.429 ( -3.875 -0.172 1.599) 4.196 20.714 ( 2.294 -4.584 -1.360) 5.304 20.884 ( -2.924 4.499 8.459) 10.017 21.064 ( 0.153 5.457 -4.349) 6.979 ======================= Grid point 210 (92/172) ======================= q-point: (-0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 0.324 1.167 -7.278) 7.378 2.096 ( -5.246 3.875 -9.577) 11.586 2.550 ( 0.883 -2.543 2.402) 3.608 2.717 ( 2.439 0.018 -4.511) 5.129 2.816 ( -0.098 11.013 11.036) 15.591 2.951 ( 0.138 -6.158 0.002) 6.159 3.197 ( 0.961 1.867 6.428) 6.763 3.319 ( 1.094 -4.765 -6.878) 8.438 3.531 ( -0.822 1.789 5.698) 6.028 3.823 ( -4.188 1.562 3.862) 5.907 3.841 ( 1.929 -1.061 -6.746) 7.096 4.372 ( 2.713 -0.708 -2.988) 4.097 4.620 ( -2.375 -1.178 4.441) 5.172 4.733 ( 1.392 0.116 0.916) 1.671 5.019 ( 1.254 2.088 1.207) 2.718 5.231 ( -6.595 5.083 -0.092) 8.327 5.446 ( 0.360 -2.665 5.047) 5.719 5.491 ( 3.484 2.079 -3.837) 5.584 5.853 ( -7.373 0.327 0.438) 7.393 6.097 ( 1.901 -0.983 -2.123) 3.014 6.145 ( -1.444 -4.790 -3.726) 6.237 6.316 ( 3.714 0.253 -5.215) 6.407 6.491 ( 2.167 -3.881 6.084) 7.535 6.743 ( 0.205 1.841 1.881) 2.640 6.955 ( 1.427 1.307 -5.353) 5.692 7.220 ( 4.831 -1.309 3.547) 6.135 7.337 ( -5.496 1.684 -4.401) 7.240 7.437 ( -0.100 -0.693 -2.235) 2.342 7.668 ( -1.656 -3.696 1.732) 4.405 7.819 ( 0.473 1.330 -3.247) 3.541 8.009 ( -11.988 0.915 0.587) 12.037 8.134 ( 1.111 0.030 -4.327) 4.467 8.301 ( -2.355 0.793 4.039) 4.742 8.503 ( 5.115 2.028 3.186) 6.358 8.767 ( 1.897 -1.358 0.521) 2.391 8.930 ( 1.366 -1.016 -0.251) 1.721 9.154 ( 0.579 -0.257 0.078) 0.638 9.553 ( 0.942 -2.340 1.081) 2.744 9.985 ( -5.467 1.905 11.021) 12.449 10.360 ( -2.620 3.839 -5.756) 7.398 10.847 ( 7.331 -0.744 5.585) 9.246 10.941 ( -1.536 0.101 -1.434) 2.104 11.684 ( 3.835 2.950 -0.862) 4.915 11.799 ( -5.877 -5.112 1.849) 8.005 12.049 ( 1.525 1.112 3.602) 4.067 12.386 ( -3.227 -0.688 -16.986) 17.304 12.502 ( -0.413 -1.182 -0.424) 1.322 12.835 ( 0.898 -0.726 8.088) 8.170 13.358 ( 1.121 -0.526 4.438) 4.607 13.420 ( 0.093 1.117 -3.705) 3.871 13.671 ( -2.681 2.002 -1.786) 3.793 14.027 ( 3.426 0.209 -0.673) 3.497 14.459 ( -4.730 0.946 4.757) 6.775 14.660 ( 2.743 -3.523 -2.392) 5.065 15.228 ( 1.155 3.317 0.668) 3.576 15.511 ( 0.822 3.094 -4.036) 5.152 15.831 ( 6.604 3.496 3.893) 8.425 16.674 ( -3.867 -3.052 -0.853) 5.000 17.078 ( 7.783 -3.150 -2.840) 8.864 17.160 ( -10.468 4.855 -0.403) 11.546 17.573 ( -2.251 0.298 -0.063) 2.272 18.041 ( 4.905 -3.045 4.014) 7.032 18.163 ( -3.985 1.024 3.049) 5.121 18.406 ( 9.101 1.944 5.560) 10.841 18.785 ( -4.164 -1.853 -9.862) 10.864 19.460 ( 3.122 -0.447 -5.746) 6.554 19.998 ( -2.364 1.508 3.918) 4.818 20.127 ( -0.326 -1.686 -0.855) 1.918 20.408 ( -0.375 0.127 -0.015) 0.396 20.740 ( 0.449 4.585 2.948) 5.469 20.884 ( -0.993 -2.409 2.690) 3.745 20.999 ( -1.519 -3.052 -3.315) 4.755 ======================= Grid point 211 (93/172) ======================= q-point: (-0.40 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( 0.888 5.771 -6.908) 9.045 1.909 ( -8.715 8.993 -0.248) 12.526 2.546 ( 0.067 9.286 2.892) 9.727 2.635 ( -5.242 -0.887 -2.100) 5.716 2.690 ( 2.111 10.421 5.162) 11.819 3.024 ( -0.616 -2.364 2.033) 3.178 3.200 ( -1.538 2.074 3.749) 4.553 3.363 ( -3.137 -2.159 -3.958) 5.492 3.511 ( 2.344 2.322 4.663) 5.712 3.714 ( -4.908 1.966 -4.241) 6.778 3.928 ( 4.601 -4.019 0.441) 6.125 4.400 ( 3.743 -0.566 -2.169) 4.363 4.621 ( -2.728 0.607 2.013) 3.444 4.729 ( 0.918 0.437 -1.049) 1.461 5.011 ( -3.709 -2.607 1.895) 4.914 5.187 ( 4.192 -0.072 0.939) 4.297 5.474 ( 3.020 1.687 -1.446) 3.749 5.536 ( -2.566 -5.016 5.331) 7.757 5.826 ( -2.281 -0.418 5.642) 6.100 6.051 ( 2.001 2.120 -3.816) 4.802 6.185 ( -1.795 2.272 0.286) 2.910 6.381 ( 3.227 -7.706 -7.730) 11.382 6.518 ( -0.927 3.244 1.463) 3.677 6.719 ( 0.782 0.328 -3.687) 3.783 6.912 ( -0.752 3.738 1.764) 4.202 7.172 ( -8.969 0.783 -9.342) 12.974 7.304 ( -3.231 -0.690 4.340) 5.455 7.469 ( 6.335 -0.381 0.280) 6.353 7.707 ( 0.158 -0.830 -3.378) 3.482 7.735 ( -8.364 3.278 0.342) 8.990 7.935 ( -4.339 0.822 2.309) 4.983 8.116 ( 3.888 2.448 -1.637) 4.878 8.289 ( -4.020 0.031 5.502) 6.814 8.503 ( 3.556 2.815 2.273) 5.072 8.802 ( -2.065 -2.262 -0.851) 3.179 8.953 ( 3.557 0.042 -1.522) 3.869 9.155 ( -0.745 0.075 -0.589) 0.953 9.497 ( -8.368 3.593 -3.128) 9.629 10.025 ( -6.595 -3.840 17.059) 18.688 10.263 ( 0.587 3.024 -4.197) 5.206 10.880 ( -2.956 0.490 -1.325) 3.276 10.968 ( 7.627 -0.537 2.948) 8.194 11.674 ( 3.914 1.917 0.187) 4.362 11.857 ( -8.035 -6.647 3.423) 10.976 12.044 ( 1.088 1.514 2.320) 2.976 12.329 ( -4.663 -3.525 -16.611) 17.610 12.524 ( -0.238 -1.843 -0.541) 1.936 12.902 ( -0.201 -3.245 6.407) 7.185 13.342 ( -2.622 2.287 -0.650) 3.539 13.445 ( 4.019 -1.931 2.829) 5.281 13.636 ( 0.680 0.490 -0.142) 0.850 14.035 ( 4.406 2.010 -1.716) 5.137 14.399 ( -5.889 2.541 4.055) 7.588 14.699 ( 1.527 0.003 -3.270) 3.609 15.165 ( -1.414 4.178 2.827) 5.239 15.427 ( -0.246 5.332 -1.257) 5.484 15.837 ( 5.277 2.869 1.760) 6.259 16.629 ( -6.545 3.055 -1.724) 7.426 16.743 ( -25.995 12.060 0.869) 28.669 17.246 ( 2.668 -2.322 -0.631) 3.593 17.617 ( 1.727 -2.179 1.468) 3.144 18.026 ( -2.219 3.595 -2.530) 4.924 18.263 ( 7.136 -6.398 7.151) 11.958 18.502 ( 12.339 0.052 5.521) 13.518 18.739 ( -6.350 -2.282 -10.427) 12.420 19.446 ( -3.047 -0.469 -7.176) 7.810 19.938 ( -4.477 3.462 4.490) 7.224 20.092 ( -3.797 2.930 -1.812) 5.127 20.441 ( 4.344 -1.662 0.255) 4.658 20.664 ( -0.889 4.087 2.136) 4.697 20.870 ( -3.792 0.765 4.435) 5.885 21.139 ( -0.482 -11.791 -3.946) 12.443 ======================= Grid point 212 (94/172) ======================= q-point: (-0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 4.770 6.598 1.197) 8.229 1.634 ( -11.405 14.329 8.029) 19.996 2.328 ( -2.758 13.741 2.737) 14.279 2.433 ( -7.732 18.201 8.912) 21.691 2.617 ( -4.489 -0.044 -9.257) 10.288 3.055 ( -1.789 -1.095 2.892) 3.572 3.129 ( -7.636 0.302 4.783) 9.016 3.309 ( -4.877 2.118 -0.372) 5.330 3.518 ( 3.635 1.635 -1.549) 4.276 3.751 ( 6.883 -4.486 4.516) 9.375 4.003 ( 1.839 -1.767 -3.351) 4.211 4.423 ( 4.385 1.515 -0.817) 4.711 4.589 ( -1.558 -0.048 -2.650) 3.074 4.747 ( 2.671 -2.663 -5.250) 6.464 5.087 ( -3.436 -7.194 4.091) 8.961 5.250 ( 9.357 0.706 2.298) 9.661 5.458 ( -0.320 0.533 -1.648) 1.762 5.573 ( -6.377 -0.142 2.117) 6.721 5.862 ( 0.603 -0.115 8.741) 8.762 6.048 ( 3.531 0.295 2.141) 4.140 6.098 ( -1.592 4.552 0.736) 4.878 6.433 ( 0.866 2.375 -4.302) 4.990 6.531 ( 2.365 -8.116 -9.922) 13.035 6.715 ( 0.463 -0.815 0.674) 1.155 6.796 ( -6.259 7.097 1.635) 9.603 7.059 ( -9.301 -0.292 -8.529) 12.623 7.288 ( -4.675 0.208 1.383) 4.880 7.488 ( 2.310 3.914 -3.799) 5.924 7.652 ( -0.759 2.386 4.102) 4.806 7.680 ( -3.135 -0.745 1.667) 3.628 7.902 ( -1.816 1.454 1.869) 2.984 8.111 ( 6.644 3.058 1.984) 7.578 8.270 ( -4.680 0.392 5.106) 6.937 8.486 ( 2.177 2.818 2.374) 4.280 8.793 ( -6.489 -1.647 -3.833) 7.714 8.974 ( 4.071 0.321 -3.640) 5.471 9.134 ( -2.168 0.476 -1.022) 2.443 9.319 ( -12.057 4.484 -4.401) 13.596 10.068 ( -9.298 -1.278 11.893) 15.150 10.282 ( 4.633 -2.973 4.522) 7.124 10.831 ( -4.700 0.464 -2.435) 5.314 11.040 ( 7.465 1.008 1.705) 7.723 11.664 ( 1.067 1.426 -1.755) 2.501 11.909 ( -14.023 -7.017 -2.132) 15.825 12.067 ( 4.295 -0.330 10.395) 11.252 12.308 ( -2.616 -4.845 -10.100) 11.503 12.554 ( -0.934 -2.242 -1.496) 2.852 12.997 ( -0.941 -5.714 4.067) 7.076 13.282 ( -2.023 1.498 0.100) 2.520 13.528 ( 3.811 -2.122 3.071) 5.335 13.659 ( 3.003 -0.305 4.242) 5.206 14.012 ( 4.152 3.403 -2.964) 6.132 14.324 ( -4.742 2.308 3.666) 6.423 14.667 ( 2.030 3.078 -3.123) 4.832 15.084 ( -4.776 3.470 3.232) 6.730 15.321 ( -1.405 5.793 2.109) 6.323 15.788 ( -3.165 6.021 -1.446) 6.954 16.338 ( -22.563 5.260 1.274) 23.203 16.518 ( 1.312 9.130 1.516) 9.348 17.278 ( -2.555 -1.449 0.465) 2.974 17.612 ( -7.950 0.320 1.298) 8.062 17.955 ( 1.824 3.047 -0.622) 3.605 18.450 ( 4.643 -5.456 0.910) 7.221 18.625 ( 10.621 1.951 3.165) 11.253 18.687 ( -4.858 -3.443 -6.454) 8.782 19.359 ( -8.958 1.216 -8.076) 12.122 19.857 ( -2.952 3.854 3.858) 6.201 19.985 ( -2.100 4.662 -1.898) 5.454 20.515 ( 4.511 -2.247 0.060) 5.040 20.611 ( -1.229 1.398 0.909) 2.072 20.875 ( -6.159 -3.491 8.328) 10.931 21.321 ( -0.751 -10.983 -5.495) 12.304 ======================= Grid point 213 (95/172) ======================= q-point: (-0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 7.543 5.317 13.521) 16.370 1.315 ( -10.563 15.807 15.761) 24.695 1.970 ( -21.788 13.870 -1.174) 25.854 2.145 ( 3.866 18.180 23.006) 29.576 2.463 ( -5.632 5.368 -19.444) 20.943 3.069 ( -5.253 -0.659 6.243) 8.186 3.116 ( -4.397 -0.832 4.435) 6.300 3.265 ( -3.586 -2.078 1.458) 4.393 3.523 ( 4.598 0.410 -1.568) 4.875 3.890 ( 5.346 -1.736 -0.297) 5.628 4.025 ( 2.168 -0.487 3.432) 4.088 4.413 ( 4.366 2.745 -0.493) 5.181 4.585 ( 5.017 0.195 -6.036) 7.851 4.816 ( 0.850 -5.949 -10.904) 12.450 5.210 ( 0.686 -5.568 3.244) 6.481 5.317 ( 7.953 0.929 1.833) 8.215 5.440 ( -3.584 -0.713 -0.525) 3.692 5.465 ( -5.761 4.520 -2.903) 7.877 5.868 ( 0.693 2.939 5.193) 6.007 6.051 ( 0.355 0.344 3.543) 3.577 6.107 ( 1.134 -1.037 8.052) 8.197 6.382 ( 1.486 2.452 -4.859) 5.641 6.592 ( -9.948 6.261 -4.157) 12.467 6.647 ( 0.821 -6.775 -8.788) 11.127 6.795 ( 6.162 -3.347 7.627) 10.361 6.959 ( -8.838 -0.389 -7.137) 11.367 7.215 ( -1.248 5.202 -2.246) 5.802 7.404 ( -1.255 3.952 2.046) 4.624 7.606 ( 1.996 2.178 -1.579) 3.349 7.736 ( -2.183 -2.577 8.104) 8.780 7.865 ( -1.785 1.945 2.576) 3.689 8.116 ( 2.468 2.902 4.823) 6.146 8.261 ( 1.718 0.292 3.581) 3.983 8.456 ( 0.462 2.866 2.702) 3.966 8.727 ( -8.952 -0.595 -7.445) 11.658 8.957 ( -0.198 1.505 -6.843) 7.009 9.100 ( -3.592 0.253 -0.641) 3.657 9.147 ( -8.928 2.653 -2.119) 9.552 10.060 ( -2.871 0.098 6.970) 7.539 10.418 ( 0.550 -5.762 7.646) 9.590 10.764 ( -5.596 1.627 -2.731) 6.436 11.059 ( 3.973 2.098 -1.549) 4.753 11.628 ( -1.961 0.809 -3.364) 3.977 11.831 ( -14.720 -0.881 -8.270) 16.907 12.170 ( 5.532 -1.513 3.562) 6.752 12.461 ( -1.695 -12.886 9.680) 16.205 12.582 ( 1.891 -3.289 1.723) 4.166 13.109 ( -1.854 -6.447 0.056) 6.709 13.282 ( 0.846 -1.338 5.553) 5.775 13.594 ( 2.480 -1.421 -0.062) 2.859 13.732 ( 4.254 -2.091 9.235) 10.381 13.973 ( 3.579 2.208 -2.965) 5.146 14.286 ( -2.486 0.423 6.141) 6.639 14.634 ( 7.075 1.958 -4.474) 8.597 14.998 ( -6.605 1.860 1.955) 7.135 15.208 ( -8.267 5.376 4.736) 10.940 15.584 ( -3.328 8.381 3.038) 9.515 16.225 ( -19.651 -7.313 0.230) 20.969 16.405 ( 18.602 11.806 4.165) 22.422 17.235 ( -11.403 1.157 -0.643) 11.480 17.537 ( -8.294 -0.298 1.254) 8.393 17.931 ( 2.615 2.433 1.973) 4.080 18.451 ( -13.638 4.994 -13.210) 19.632 18.553 ( 3.705 1.207 -8.257) 9.131 18.784 ( 5.581 0.351 10.974) 12.317 19.241 ( -3.462 1.383 -5.152) 6.359 19.794 ( 0.133 3.242 2.167) 3.902 19.899 ( -0.886 2.820 -1.370) 3.258 20.586 ( 1.876 -2.556 0.787) 3.267 20.607 ( 0.818 -0.918 -0.042) 1.230 20.975 ( -7.505 -10.017 11.305) 16.866 21.459 ( -1.452 -8.160 -7.276) 11.028 ======================= Grid point 214 (96/172) ======================= q-point: (-0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -8.530 9.243 21.742) 25.118 1.221 ( -16.296 10.492 23.953) 30.812 1.713 ( 3.361 0.194 -3.220) 4.658 2.017 ( 9.113 14.186 32.049) 36.214 2.239 ( -4.649 4.411 -19.104) 20.151 2.998 ( -8.761 2.961 4.742) 10.393 3.131 ( -0.291 -0.963 -0.858) 1.322 3.319 ( -3.455 -4.659 4.007) 7.050 3.565 ( 5.527 0.308 3.107) 6.348 3.888 ( -2.020 -0.301 -10.436) 10.634 4.083 ( 3.071 0.641 12.313) 12.706 4.413 ( 5.032 1.453 0.627) 5.275 4.617 ( 8.436 -0.819 -8.809) 12.224 4.825 ( -3.467 -1.881 -19.246) 19.646 5.257 ( 0.597 1.138 -0.782) 1.504 5.384 ( 3.405 -3.446 0.762) 4.904 5.394 ( 2.831 1.098 -0.471) 3.073 5.426 ( -1.873 -0.186 0.802) 2.046 5.839 ( 1.100 3.018 6.092) 6.887 6.060 ( -3.609 1.362 2.197) 4.439 6.158 ( 1.595 -1.202 8.026) 8.271 6.372 ( -0.073 -2.211 -2.483) 3.326 6.411 ( -6.432 2.945 -6.404) 9.542 6.689 ( -5.822 -4.600 -14.751) 16.512 6.877 ( -6.053 -0.910 2.132) 6.482 6.966 ( 12.233 0.127 2.967) 12.588 7.118 ( 10.566 5.924 1.964) 12.272 7.358 ( -1.639 1.430 5.108) 5.552 7.605 ( 4.110 0.856 0.904) 4.294 7.759 ( -7.190 -1.242 3.675) 8.169 7.838 ( -0.386 1.373 4.540) 4.759 8.077 ( -4.696 1.544 2.317) 5.460 8.327 ( 9.632 0.302 6.707) 11.741 8.421 ( -0.674 2.070 3.717) 4.308 8.619 ( -9.520 0.239 -8.178) 12.552 8.877 ( -3.395 1.392 -8.549) 9.303 9.061 ( -8.573 -1.153 2.049) 8.889 9.081 ( 1.700 1.406 -2.039) 3.004 10.077 ( 1.689 0.532 5.996) 6.252 10.516 ( -3.720 -3.972 0.561) 5.470 10.658 ( -6.413 3.473 0.877) 7.345 11.029 ( -0.035 1.312 -4.279) 4.476 11.589 ( -2.769 -0.417 -3.517) 4.496 11.685 ( -8.737 2.077 -7.303) 11.575 12.245 ( 5.972 -0.939 1.296) 6.183 12.520 ( -3.889 -1.212 -3.737) 5.528 12.869 ( 3.518 -11.694 14.109) 18.660 13.177 ( -0.133 -2.874 -1.208) 3.120 13.352 ( 0.520 -1.078 6.422) 6.533 13.614 ( 2.217 0.019 -4.056) 4.623 13.855 ( 1.360 -3.504 5.127) 6.357 13.991 ( 2.389 -0.753 -1.641) 2.994 14.371 ( 1.874 -8.325 6.482) 10.716 14.697 ( 13.136 -1.549 -9.654) 16.376 14.939 ( -4.625 0.321 0.968) 4.737 15.046 ( -10.559 2.721 2.104) 11.105 15.667 ( 20.605 -8.541 17.192) 28.162 16.168 ( -14.591 -3.063 -0.751) 14.928 16.483 ( 19.862 1.774 7.221) 21.208 17.001 ( -24.718 8.852 -3.097) 26.437 17.524 ( -3.582 -3.117 0.556) 4.781 17.885 ( -4.927 6.587 -6.322) 10.375 18.103 ( -0.829 11.899 -3.547) 12.444 18.533 ( -3.014 -0.689 -6.118) 6.855 18.816 ( -0.119 2.897 12.084) 12.427 19.233 ( 8.763 0.322 -6.284) 10.788 19.762 ( 1.165 1.760 1.430) 2.550 19.855 ( -0.892 0.912 -1.427) 1.914 20.636 ( -0.891 -2.124 1.917) 2.997 20.647 ( 2.977 -1.216 -0.683) 3.287 21.188 ( -8.619 -15.463 9.014) 19.866 21.504 ( -3.543 -1.644 -7.650) 8.589 ======================= Grid point 216 (97/172) ======================= q-point: ( 0.10 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 11.608 0.000 17.604) 21.087 1.381 ( 10.815 0.000 27.013) 29.097 1.866 ( 4.727 0.000 -22.437) 22.930 2.030 ( 22.861 0.000 -17.664) 28.891 2.881 ( -0.372 -0.000 4.059) 4.076 2.902 ( 14.638 0.000 40.174) 42.758 3.177 ( -7.929 -0.000 -13.607) 15.749 3.218 ( 13.185 0.000 -1.054) 13.227 3.647 ( -1.898 -0.000 3.121) 3.653 3.658 ( -7.333 -0.000 -4.567) 8.639 4.231 ( -2.400 -0.000 11.966) 12.204 4.374 ( -8.514 -0.000 -4.710) 9.730 4.518 ( 2.433 0.000 -14.990) 15.186 4.523 ( -8.283 -0.000 -9.896) 12.905 5.277 ( -4.702 -0.000 -5.172) 6.990 5.329 ( 2.548 0.000 2.400) 3.501 5.412 ( 1.988 0.000 -3.290) 3.843 5.664 ( 12.777 0.000 -4.174) 13.442 5.944 ( -3.541 -0.000 -2.450) 4.305 6.015 ( 5.673 0.000 9.468) 11.038 6.242 ( -7.632 -0.000 5.937) 9.669 6.249 ( -4.890 -0.000 0.032) 4.890 6.267 ( 2.228 0.000 7.027) 7.371 6.408 ( -2.952 -0.000 -7.880) 8.415 6.923 ( 10.027 0.000 -0.907) 10.068 7.131 ( -8.029 -0.000 -0.241) 8.032 7.341 ( 3.349 0.000 -16.551) 16.886 7.508 ( 9.959 0.000 0.223) 9.961 7.561 ( -3.316 -0.000 0.805) 3.413 7.790 ( 6.021 0.000 4.591) 7.572 7.914 ( -3.501 -0.000 -1.386) 3.765 8.009 ( 10.056 0.000 12.190) 15.803 8.382 ( -6.404 -0.000 2.450) 6.856 8.416 ( -1.595 -0.000 -0.876) 1.820 8.644 ( -1.796 -0.000 -12.752) 12.878 8.731 ( 8.063 0.000 5.831) 9.951 9.000 ( 4.202 0.000 -0.138) 4.204 9.133 ( 2.457 0.000 0.796) 2.582 10.324 ( 10.401 0.000 8.748) 13.591 10.328 ( -2.294 -0.000 -8.156) 8.472 10.699 ( 0.883 0.000 13.812) 13.840 10.940 ( 1.317 0.000 -6.923) 7.048 11.529 ( -0.706 -0.000 -0.878) 1.127 11.545 ( 0.209 0.000 -0.397) 0.449 12.396 ( -2.115 -0.000 -6.133) 6.487 12.437 ( 7.091 0.000 2.412) 7.490 13.092 ( -0.185 -0.000 6.721) 6.724 13.238 ( 0.963 0.000 -3.525) 3.654 13.426 ( 0.787 0.000 5.451) 5.507 13.582 ( 0.835 0.000 -7.108) 7.157 13.879 ( -8.169 -0.000 0.534) 8.186 13.958 ( 1.215 0.000 2.378) 2.670 14.430 ( -23.137 -0.000 -2.698) 23.294 14.435 ( -5.147 -0.000 -1.428) 5.342 15.069 ( 17.201 0.000 -0.909) 17.225 15.114 ( 18.296 0.000 1.629) 18.368 15.878 ( -12.151 -0.000 -1.103) 12.201 16.114 ( -3.957 -0.000 2.810) 4.853 16.838 ( 11.408 0.000 3.356) 11.891 17.073 ( 25.254 0.000 -8.192) 26.549 17.598 ( 7.924 0.000 -3.145) 8.526 17.630 ( 9.350 0.000 -1.889) 9.539 18.297 ( -6.430 -0.000 -11.235) 12.945 18.357 ( 5.252 0.000 8.155) 9.700 18.908 ( 0.719 0.000 9.952) 9.978 19.465 ( 20.614 0.000 -23.397) 31.183 19.804 ( 1.880 0.000 1.922) 2.688 19.819 ( 2.111 0.000 -3.388) 3.992 20.546 ( -14.044 -0.000 3.911) 14.578 20.665 ( -2.265 -0.000 0.377) 2.296 21.085 ( -10.763 -0.000 12.314) 16.355 21.517 ( 3.012 0.000 0.525) 3.057 ======================= Grid point 217 (98/172) ======================= q-point: ( 0.20 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 16.958 -0.532 10.930) 20.182 1.658 ( 11.769 -8.107 22.263) 26.455 1.874 ( 8.894 -5.161 -19.559) 22.097 2.187 ( 17.878 -5.710 -15.387) 24.269 2.819 ( -0.927 5.187 -2.668) 5.906 3.077 ( 1.935 1.534 -4.137) 4.818 3.172 ( 4.783 -5.330 13.613) 15.382 3.362 ( 16.630 1.619 6.265) 17.845 3.581 ( -5.782 -1.681 -5.674) 8.273 3.664 ( -3.740 -1.822 4.450) 6.092 4.204 ( -8.474 3.975 5.306) 10.759 4.334 ( -4.828 -4.274 3.201) 7.199 4.405 ( -9.932 0.255 -7.843) 12.658 4.505 ( 3.600 -1.766 -9.156) 9.996 5.245 ( -3.392 -1.823 -5.222) 6.489 5.320 ( -1.391 2.384 2.216) 3.540 5.417 ( 3.582 -0.693 -3.965) 5.388 5.729 ( 11.099 1.684 -5.891) 12.677 5.912 ( -3.724 -0.602 -2.699) 4.638 6.075 ( 2.890 2.917 8.658) 9.583 6.194 ( -5.281 -0.072 2.283) 5.754 6.305 ( 2.718 -7.793 5.362) 9.842 6.330 ( 2.117 -0.091 7.445) 7.741 6.356 ( -1.951 0.970 -4.885) 5.349 6.898 ( -1.093 7.549 0.505) 7.644 7.098 ( 0.176 -3.341 -3.501) 4.843 7.306 ( 0.243 0.385 -6.015) 6.032 7.543 ( 0.470 0.438 -3.409) 3.469 7.566 ( 5.071 -0.183 -4.806) 6.989 7.843 ( 2.430 0.123 3.126) 3.961 7.923 ( 0.174 -3.081 -0.551) 3.135 8.167 ( 13.145 -1.083 10.818) 17.058 8.311 ( -9.481 0.852 -0.576) 9.537 8.417 ( -1.045 -1.101 -1.293) 1.994 8.619 ( 2.879 -1.997 -8.255) 8.968 8.790 ( 0.852 -0.226 5.687) 5.755 9.070 ( 10.863 -1.323 -2.018) 11.128 9.155 ( 1.267 -0.446 1.284) 1.858 10.279 ( -0.762 0.861 -6.009) 6.118 10.448 ( 9.011 -0.634 6.189) 10.950 10.765 ( 1.742 0.476 13.105) 13.228 10.929 ( 2.333 -0.255 -6.321) 6.742 11.549 ( 0.573 -1.607 0.631) 1.819 11.571 ( 1.650 -2.345 3.133) 4.247 12.334 ( -1.496 2.568 -6.091) 6.777 12.496 ( 6.356 0.907 2.555) 6.910 13.073 ( -0.238 5.125 5.545) 7.554 13.121 ( -4.732 8.252 -6.297) 11.407 13.462 ( 1.837 -0.094 4.230) 4.613 13.546 ( -1.087 1.820 -5.586) 5.975 13.834 ( -5.791 -2.771 0.602) 6.448 13.911 ( -7.780 5.724 -1.010) 9.711 14.236 ( -9.038 -0.778 6.142) 10.956 14.442 ( -5.362 -3.969 -2.186) 7.020 15.181 ( 21.217 2.979 -0.654) 21.435 15.373 ( 22.664 -5.990 -0.312) 23.444 15.790 ( -3.779 -0.407 -5.349) 6.562 16.188 ( -2.329 -8.707 0.696) 9.040 16.672 ( 15.925 19.658 -0.831) 25.313 17.328 ( 11.333 -6.392 -3.803) 13.556 17.643 ( 6.532 0.267 -5.120) 8.304 17.833 ( 17.392 -5.768 5.239) 19.058 18.167 ( -4.779 1.881 -2.533) 5.726 18.434 ( 1.846 -1.160 1.855) 2.862 18.934 ( -0.939 1.920 6.524) 6.866 19.503 ( 14.237 1.901 -18.818) 23.673 19.813 ( 1.424 -0.254 0.216) 1.463 19.881 ( 6.797 -3.532 -6.105) 9.796 20.434 ( -14.913 0.082 6.480) 16.261 20.643 ( -3.184 -0.034 0.117) 3.187 21.062 ( -3.620 1.473 11.056) 11.727 21.478 ( 0.888 6.136 0.166) 6.202 ======================= Grid point 218 (99/172) ======================= q-point: ( 0.30 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 18.124 1.293 2.226) 18.306 1.956 ( 9.255 -8.498 1.760) 12.687 2.066 ( 11.231 -12.456 -2.477) 16.953 2.374 ( 10.270 -7.561 -8.916) 15.560 2.693 ( -0.610 3.505 -9.195) 9.859 3.103 ( 6.374 1.772 6.420) 9.219 3.283 ( 3.497 1.255 0.635) 3.769 3.398 ( 2.464 1.168 1.154) 2.961 3.609 ( -1.601 -2.828 0.413) 3.276 3.658 ( -1.747 -0.128 -3.065) 3.530 4.049 ( -9.032 5.741 2.517) 10.994 4.313 ( -7.269 -1.693 -5.895) 9.511 4.432 ( -1.847 -5.485 7.361) 9.364 4.571 ( 3.392 -4.258 -1.208) 5.577 5.207 ( -1.508 3.278 -2.880) 4.617 5.265 ( -4.958 -1.397 -2.046) 5.542 5.514 ( 7.163 -6.001 -0.129) 9.345 5.720 ( 5.631 4.078 -7.250) 10.045 5.890 ( -2.745 -0.706 0.182) 2.840 6.010 ( -3.317 10.197 14.465) 18.006 6.205 ( 0.787 -3.076 -4.008) 5.113 6.291 ( -3.648 1.685 -4.735) 6.210 6.329 ( -0.336 1.225 0.402) 1.333 6.552 ( 6.318 -9.913 8.481) 14.495 6.805 ( -0.298 0.424 3.598) 3.635 7.157 ( 6.029 -0.900 -4.029) 7.307 7.288 ( 0.462 0.066 -0.105) 0.478 7.517 ( -0.658 0.578 -5.758) 5.824 7.571 ( 1.657 0.203 -3.494) 3.872 7.855 ( 0.280 0.496 1.271) 1.393 7.994 ( 0.458 -3.945 -0.003) 3.972 8.185 ( -9.398 1.649 -5.700) 11.115 8.315 ( 8.023 -0.183 2.866) 8.521 8.447 ( 3.578 -1.456 3.787) 5.410 8.680 ( 5.194 -2.584 -2.082) 6.163 8.814 ( -2.508 -1.286 4.676) 5.460 9.143 ( 2.838 0.247 -0.188) 2.855 9.231 ( 9.477 -4.006 0.017) 10.289 10.226 ( -1.206 2.404 -3.217) 4.194 10.525 ( 6.392 1.195 2.230) 6.874 10.794 ( 0.636 1.665 7.701) 7.904 10.942 ( 2.423 -0.635 -2.231) 3.355 11.584 ( -0.843 -2.478 -0.358) 2.642 11.684 ( 5.896 -3.397 8.346) 10.769 12.233 ( -1.064 5.223 -4.185) 6.777 12.519 ( 2.168 1.925 2.598) 3.893 12.831 ( -6.071 11.312 -11.751) 17.404 13.010 ( 1.043 7.090 7.434) 10.326 13.439 ( -3.606 3.915 -4.837) 7.193 13.481 ( 1.217 1.999 3.825) 4.484 13.767 ( -7.263 0.739 -1.003) 7.370 13.875 ( -2.536 -4.751 -1.049) 5.487 14.289 ( -1.989 -5.012 4.696) 7.150 14.480 ( -2.171 -3.969 0.817) 4.597 15.300 ( 22.358 3.795 -1.200) 22.709 15.551 ( 5.674 -1.344 -7.802) 9.740 15.822 ( 6.652 -3.368 -5.048) 9.004 16.397 ( 11.521 -11.906 -0.218) 16.570 16.549 ( 21.089 10.407 1.626) 23.573 17.430 ( 1.629 -1.401 -6.224) 6.585 17.669 ( 5.410 0.794 -0.979) 5.555 17.942 ( 4.550 3.188 1.491) 5.752 18.229 ( 3.470 -3.720 9.260) 10.565 18.455 ( 2.750 0.680 2.174) 3.571 18.868 ( -3.354 4.371 -0.110) 5.511 19.498 ( 8.101 1.912 -10.547) 13.436 19.856 ( 1.926 -2.827 1.705) 3.822 19.972 ( 6.572 -3.499 -8.237) 11.103 20.379 ( -9.820 -2.234 5.306) 11.383 20.623 ( -2.875 -0.787 -0.752) 3.075 21.043 ( -1.195 3.234 8.106) 8.809 21.343 ( 0.423 8.980 -0.146) 8.991 ======================= Grid point 219 (100/172) ======================= q-point: ( 0.40 0.10 -0.67) 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 17.963 2.557 -5.292) 18.900 2.117 ( 6.489 -2.988 -6.774) 9.845 2.378 ( 9.218 -11.826 0.307) 14.998 2.532 ( 2.184 -6.888 -2.151) 7.539 2.678 ( 6.421 -3.079 -3.970) 8.153 3.123 ( 3.825 5.778 9.760) 11.970 3.222 ( -1.576 1.533 -5.113) 5.565 3.385 ( -1.486 3.563 -0.133) 3.863 3.566 ( -6.800 0.053 4.336) 8.065 3.711 ( 5.521 -4.116 -9.457) 11.699 3.913 ( -5.373 4.254 5.433) 8.745 4.303 ( -2.053 -3.307 -3.917) 5.522 4.518 ( -4.786 -4.196 5.123) 8.170 4.665 ( 2.548 -3.375 0.242) 4.236 5.119 ( -2.209 3.052 -1.281) 3.979 5.268 ( -2.677 -2.962 -5.046) 6.434 5.609 ( -3.240 4.880 -9.254) 10.952 5.669 ( 4.038 3.201 8.610) 10.034 5.831 ( -5.639 3.206 2.493) 6.949 5.906 ( 3.979 0.809 10.861) 11.595 6.196 ( -2.697 2.100 -6.265) 7.137 6.262 ( -0.252 -3.558 -5.449) 6.512 6.359 ( 5.112 -2.644 0.653) 5.792 6.734 ( 1.121 -2.909 9.254) 9.765 6.894 ( 3.801 -5.026 -1.919) 6.588 7.195 ( 7.218 0.573 -1.863) 7.477 7.329 ( 2.671 -2.474 4.811) 6.033 7.455 ( -3.988 1.507 -6.130) 7.466 7.572 ( -0.148 -0.520 -0.506) 0.740 7.847 ( -0.119 0.428 -0.932) 1.032 8.018 ( -10.195 -0.594 0.391) 10.220 8.101 ( 3.357 -0.867 -6.581) 7.438 8.343 ( 1.068 1.107 1.369) 2.059 8.531 ( 6.944 -0.603 1.586) 7.149 8.743 ( 2.658 -0.339 2.052) 3.375 8.849 ( -1.009 -3.096 2.206) 3.933 9.151 ( 0.619 0.134 0.516) 0.817 9.394 ( 8.112 -5.114 1.365) 9.686 10.145 ( -2.718 4.520 1.042) 5.376 10.510 ( 1.890 4.343 -2.460) 5.337 10.821 ( 4.126 -0.322 5.303) 6.727 10.954 ( 0.055 0.106 -0.650) 0.661 11.617 ( -2.633 -3.134 -1.455) 4.344 11.813 ( 7.654 0.262 8.914) 11.752 12.123 ( 0.093 4.603 0.410) 4.622 12.451 ( -9.740 2.862 -6.402) 12.002 12.603 ( 4.955 7.500 -6.945) 11.359 12.928 ( 0.926 5.946 7.767) 9.825 13.355 ( -1.247 1.164 -0.970) 1.962 13.466 ( 0.595 1.564 0.345) 1.709 13.711 ( -6.185 -0.115 -2.462) 6.658 13.939 ( -0.784 -4.524 -1.823) 4.940 14.388 ( -0.722 -4.790 4.213) 6.420 14.543 ( 0.114 -3.333 2.413) 4.116 15.366 ( 14.147 5.065 -4.222) 15.608 15.556 ( 5.881 -0.139 -8.972) 10.728 15.881 ( 2.040 -0.932 -3.058) 3.792 16.605 ( 15.000 1.542 3.200) 15.415 16.793 ( 29.381 -10.538 -0.027) 31.214 17.365 ( -4.709 3.786 -5.934) 8.469 17.644 ( -6.809 2.816 0.939) 7.428 17.967 ( 9.841 0.030 2.266) 10.098 18.263 ( -1.534 3.328 6.332) 7.316 18.500 ( 5.472 1.048 7.443) 9.297 18.758 ( -3.801 2.384 -7.576) 8.804 19.483 ( 3.783 1.497 -6.410) 7.592 19.948 ( 2.056 -3.902 3.187) 5.441 20.040 ( 3.392 -2.671 -5.094) 6.677 20.377 ( -5.780 -2.467 2.529) 6.774 20.630 ( -2.201 -3.389 -1.696) 4.383 20.989 ( -1.059 4.894 6.012) 7.824 21.186 ( 0.338 8.907 0.237) 8.917 ======================= Grid point 220 (101/172) ======================= q-point: ( 0.50 0.10 -0.67) 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 16.000 4.672 -9.789) 19.331 2.125 ( 5.002 3.706 -4.320) 7.578 2.540 ( 2.079 -1.320 2.618) 3.594 2.696 ( 5.440 -6.730 -4.058) 9.558 2.803 ( 2.774 -7.341 -3.337) 8.528 3.035 ( -0.314 8.509 11.326) 14.169 3.221 ( -0.210 -3.135 -4.549) 5.529 3.288 ( -1.898 3.898 2.100) 4.817 3.561 ( -0.810 0.014 4.144) 4.222 3.780 ( 3.171 -3.620 -9.106) 10.299 3.841 ( -4.711 2.629 5.942) 8.026 4.344 ( 1.507 -2.711 -3.741) 4.859 4.549 ( -8.613 -3.550 5.303) 10.720 4.731 ( 1.337 -1.845 0.133) 2.283 5.055 ( -1.481 2.372 -2.724) 3.903 5.246 ( -2.966 1.196 -6.873) 7.581 5.426 ( -6.959 3.430 3.261) 8.416 5.624 ( 4.250 6.709 7.126) 10.670 5.775 ( -6.666 -0.602 0.878) 6.750 6.061 ( 9.424 -4.987 3.624) 11.262 6.124 ( -0.982 1.451 -4.570) 4.894 6.286 ( -1.123 -2.188 -6.135) 6.610 6.487 ( 6.360 -3.952 4.960) 8.982 6.783 ( 0.647 0.816 3.127) 3.296 6.939 ( 1.240 -0.379 -5.181) 5.340 7.205 ( -3.476 0.658 -4.049) 5.377 7.370 ( 0.201 2.609 0.904) 2.768 7.440 ( 4.695 -1.710 1.624) 5.254 7.594 ( -1.796 -3.276 3.859) 5.371 7.830 ( 0.256 1.199 -3.967) 4.152 7.937 ( -8.481 -0.128 2.299) 8.788 8.148 ( 6.519 -0.588 -1.939) 6.827 8.324 ( -1.038 1.668 2.507) 3.185 8.576 ( 5.135 0.937 -1.884) 5.549 8.755 ( -1.747 -0.242 1.194) 2.129 8.913 ( 1.727 -2.520 1.058) 3.233 9.154 ( -0.082 0.008 0.161) 0.181 9.519 ( 0.972 -2.858 2.054) 3.651 10.045 ( -3.819 4.628 6.538) 8.874 10.411 ( -0.013 5.252 -3.996) 6.599 10.894 ( 3.169 -0.580 1.144) 3.419 10.943 ( 1.767 -0.094 0.952) 2.009 11.639 ( -4.474 -3.708 -3.310) 6.688 11.842 ( 6.168 5.624 7.820) 11.438 12.105 ( 3.023 0.729 3.811) 4.918 12.278 ( -8.612 1.534 -13.664) 16.224 12.544 ( 4.190 3.470 -0.925) 5.519 12.887 ( 0.160 2.585 6.862) 7.334 13.368 ( 1.865 -1.621 2.265) 3.352 13.433 ( -0.278 2.243 -1.553) 2.742 13.650 ( -4.750 0.165 -2.754) 5.493 14.001 ( 0.059 -3.653 -2.642) 4.508 14.447 ( -2.932 -0.855 5.270) 6.091 14.622 ( 2.656 -3.440 0.866) 4.431 15.334 ( 5.130 4.030 -5.857) 8.767 15.574 ( 9.580 3.293 -4.879) 11.244 15.885 ( 0.513 -0.066 -3.026) 3.069 16.707 ( 12.091 1.646 4.154) 12.890 17.106 ( 2.527 3.110 -3.073) 5.050 17.203 ( 3.102 3.209 -0.151) 4.466 17.544 ( -3.658 -0.694 0.800) 3.809 18.088 ( 11.795 -1.269 3.993) 12.517 18.194 ( -2.247 3.937 2.997) 5.435 18.553 ( 8.546 1.956 6.754) 11.067 18.668 ( -5.422 -0.512 -11.607) 12.821 19.450 ( -1.256 0.983 -5.481) 5.708 20.006 ( -1.563 -0.234 2.601) 3.043 20.090 ( 0.015 -2.330 0.601) 2.406 20.387 ( -1.249 -1.698 0.170) 2.115 20.701 ( -1.764 -6.951 -2.716) 7.669 20.911 ( -0.966 5.185 6.396) 8.290 21.042 ( -0.520 7.162 -0.333) 7.188 ======================= Grid point 221 (102/172) ======================= q-point: (-0.40 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 14.645 7.582 -7.794) 18.241 2.046 ( 3.876 8.988 1.353) 9.881 2.563 ( -1.586 -0.966 3.007) 3.534 2.697 ( 1.889 5.946 -5.379) 8.237 2.926 ( 2.103 7.994 7.088) 10.888 2.955 ( -1.638 -5.105 3.078) 6.182 3.230 ( -1.789 -0.147 -4.661) 4.995 3.287 ( 2.202 -1.487 0.106) 2.660 3.559 ( -1.492 0.269 2.711) 3.106 3.715 ( -4.050 4.402 -1.429) 6.149 3.887 ( 2.806 -4.519 0.229) 5.324 4.386 ( 2.819 -1.892 -3.479) 4.861 4.562 ( -10.088 -3.826 4.932) 11.862 4.728 ( -2.068 0.992 -1.581) 2.786 4.970 ( -4.256 2.017 -0.196) 4.714 5.236 ( 6.470 -1.429 0.031) 6.626 5.398 ( -6.414 -2.832 -0.520) 7.030 5.581 ( 2.000 2.826 5.675) 6.647 5.790 ( -0.979 -2.720 6.816) 7.403 6.083 ( 1.855 1.317 -3.371) 4.067 6.194 ( 3.372 -0.424 1.609) 3.761 6.285 ( 0.780 -3.027 -9.554) 10.052 6.577 ( 2.199 1.119 3.711) 4.457 6.749 ( 1.589 2.889 -2.914) 4.400 6.906 ( -4.716 0.889 -4.845) 6.820 7.132 ( -3.274 1.581 -0.447) 3.663 7.322 ( -1.419 2.845 1.146) 3.380 7.509 ( 5.762 -2.121 0.711) 6.181 7.654 ( -3.852 -1.417 3.057) 5.118 7.759 ( -0.933 3.261 -2.887) 4.454 7.921 ( -2.880 -0.602 4.785) 5.617 8.205 ( 9.697 1.333 0.743) 9.816 8.296 ( -2.527 1.327 4.286) 5.149 8.575 ( 3.730 1.979 -2.259) 4.789 8.739 ( -4.878 -0.962 -1.057) 5.083 8.965 ( 2.532 -1.314 -0.815) 2.966 9.146 ( -1.075 0.276 -0.602) 1.262 9.485 ( -9.032 3.584 0.261) 9.721 10.007 ( -4.633 0.199 13.112) 13.908 10.322 ( 3.147 3.764 -3.846) 6.234 10.862 ( -2.805 1.406 -2.423) 3.964 11.023 ( 6.408 -1.751 1.657) 6.847 11.647 ( -5.294 -3.529 -4.980) 8.080 11.824 ( 4.039 4.147 8.147) 9.994 12.115 ( 1.803 2.788 3.279) 4.666 12.186 ( -3.567 -2.806 -11.341) 12.215 12.522 ( 1.844 1.341 -0.996) 2.488 12.891 ( -0.413 -0.298 4.962) 4.988 13.366 ( -1.893 3.144 -1.620) 4.012 13.443 ( 3.255 -2.762 2.134) 4.773 13.630 ( -0.734 -1.275 0.286) 1.499 14.042 ( 0.250 -2.241 -3.801) 4.419 14.419 ( -4.309 2.504 5.466) 7.396 14.690 ( 2.517 -1.337 -1.492) 3.217 15.278 ( 3.057 3.911 -2.952) 5.775 15.534 ( 5.982 6.843 -2.311) 9.378 15.871 ( 0.048 0.547 -3.003) 3.053 16.703 ( -10.620 10.844 -1.136) 15.220 16.819 ( -0.487 8.549 3.953) 9.431 17.233 ( -0.744 0.242 0.043) 0.783 17.620 ( 4.964 -0.913 2.727) 5.736 18.100 ( 3.292 4.834 -2.301) 6.284 18.264 ( 9.889 -4.216 7.219) 12.949 18.588 ( -6.935 -1.697 -12.350) 14.265 18.640 ( 12.193 0.117 3.585) 12.709 19.375 ( -8.186 0.758 -6.206) 10.301 19.970 ( -4.707 2.240 4.531) 6.907 20.097 ( -2.275 0.948 0.342) 2.488 20.433 ( 3.111 -2.347 0.329) 3.911 20.730 ( -3.731 2.415 0.264) 4.452 20.904 ( 0.353 1.159 2.876) 3.121 20.954 ( -1.145 -3.556 -0.437) 3.761 ======================= Grid point 222 (103/172) ======================= q-point: (-0.30 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 16.922 8.396 0.293) 18.893 1.873 ( 0.576 14.317 6.756) 15.842 2.485 ( -8.899 12.763 -3.158) 15.876 2.579 ( 1.288 1.921 -1.037) 2.535 2.791 ( 2.162 12.464 10.685) 16.559 3.014 ( -1.611 -2.512 2.329) 3.786 3.129 ( -7.899 6.017 -1.808) 10.093 3.251 ( -4.035 -0.970 -9.868) 10.705 3.623 ( 2.143 4.936 4.080) 6.753 3.690 ( 5.895 -9.471 2.754) 11.490 3.975 ( 2.193 -2.362 0.741) 3.307 4.434 ( 3.340 -2.005 -3.089) 4.972 4.530 ( -9.412 -1.067 1.269) 9.557 4.718 ( 0.365 -1.765 -4.139) 4.514 4.967 ( -2.617 -4.066 5.866) 7.602 5.335 ( 5.808 -2.159 -1.149) 6.302 5.384 ( -4.005 -1.354 -0.448) 4.252 5.595 ( 0.039 0.835 5.399) 5.463 5.881 ( 1.053 -2.569 11.161) 11.501 6.067 ( -0.901 0.728 -1.467) 1.869 6.161 ( 0.422 3.312 0.076) 3.340 6.332 ( 2.568 -5.346 -14.057) 15.257 6.529 ( 2.640 4.673 -3.803) 6.578 6.725 ( 0.716 0.884 3.365) 3.552 6.805 ( -7.885 2.086 -4.510) 9.320 7.042 ( -4.729 5.005 -1.548) 7.057 7.308 ( 3.541 1.046 3.289) 4.945 7.568 ( 2.525 4.108 -4.298) 6.459 7.621 ( -3.388 -3.969 5.467) 7.558 7.714 ( 0.954 2.910 0.908) 3.194 7.920 ( -1.336 0.849 3.795) 4.112 8.243 ( 3.750 3.533 1.784) 5.453 8.288 ( 5.156 0.853 6.078) 8.016 8.553 ( 2.042 2.513 -1.080) 3.413 8.701 ( -6.936 -0.911 -2.510) 7.433 8.987 ( 1.453 -0.090 -3.896) 4.159 9.120 ( -2.410 0.937 -0.617) 2.659 9.300 ( -12.374 5.571 -0.288) 13.573 10.034 ( -6.282 -1.337 14.689) 16.032 10.315 ( 6.818 0.448 -1.220) 6.941 10.805 ( -2.980 1.306 -2.002) 3.820 11.086 ( 2.628 -0.968 -2.505) 3.758 11.633 ( -4.662 -1.440 -4.080) 6.360 11.822 ( 0.749 2.029 5.253) 5.681 12.120 ( -0.009 -1.709 7.154) 7.355 12.184 ( 0.676 -2.065 -7.841) 8.137 12.521 ( 1.031 -0.479 -1.265) 1.700 12.923 ( -1.322 -2.638 1.312) 3.229 13.299 ( -1.160 1.964 0.112) 2.284 13.517 ( 2.447 -2.322 -0.581) 3.423 13.684 ( 2.458 -2.238 5.873) 6.749 14.051 ( 0.177 -0.364 -4.568) 4.586 14.354 ( -3.012 3.271 5.063) 6.739 14.690 ( 0.595 1.479 -3.543) 3.885 15.220 ( 4.134 5.716 0.644) 7.084 15.420 ( 0.198 8.188 1.020) 8.253 15.828 ( -1.492 3.179 -2.923) 4.569 16.295 ( -22.117 11.050 -1.834) 24.791 16.788 ( 15.716 9.153 3.757) 18.571 17.214 ( -7.655 -1.055 1.858) 7.948 17.606 ( -3.209 3.254 3.251) 5.608 18.052 ( 5.558 4.238 -0.346) 6.998 18.394 ( -2.433 -1.993 -3.252) 4.524 18.557 ( 1.280 -3.622 -6.645) 7.675 18.774 ( 16.273 -0.906 2.207) 16.447 19.245 ( -14.312 0.207 -6.044) 15.537 19.909 ( -3.243 2.885 4.911) 6.554 20.038 ( -1.208 3.435 -0.807) 3.729 20.502 ( 2.656 -1.906 0.664) 3.336 20.641 ( -3.111 3.163 0.758) 4.501 20.856 ( -3.247 1.497 6.152) 7.116 21.108 ( 0.790 -10.431 -3.615) 11.068 ======================= Grid point 223 (104/172) ======================= q-point: (-0.20 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 19.609 9.135 6.904) 22.707 1.623 ( -2.218 16.044 13.710) 21.220 2.071 ( -18.624 17.916 -2.378) 25.952 2.469 ( 1.067 8.782 -5.488) 10.410 2.610 ( 4.353 15.950 9.326) 18.982 3.026 ( -4.445 -2.583 4.136) 6.599 3.081 ( -2.279 -3.079 3.978) 5.523 3.200 ( -2.264 -0.375 -9.411) 9.687 3.584 ( 2.734 2.860 4.356) 5.885 3.861 ( 1.257 -3.136 -4.302) 5.470 4.052 ( 4.425 -2.516 9.801) 11.044 4.453 ( -0.571 -0.041 -1.837) 1.924 4.534 ( -0.642 -4.692 -2.661) 5.432 4.728 ( 1.745 -1.103 -9.365) 9.590 5.101 ( 0.182 -7.909 7.145) 10.660 5.326 ( -8.904 -2.154 -3.772) 9.907 5.425 ( 9.015 2.245 0.443) 9.301 5.551 ( -1.523 4.236 1.311) 4.688 5.947 ( 0.740 1.212 7.377) 7.512 6.042 ( -4.221 -1.698 2.986) 5.443 6.130 ( 1.683 1.290 2.343) 3.160 6.420 ( -0.273 -6.198 -14.934) 16.172 6.441 ( 3.825 4.102 -3.697) 6.717 6.643 ( -8.909 6.005 -2.929) 11.135 6.772 ( -1.964 -3.017 5.551) 6.617 6.942 ( 2.081 1.620 -1.730) 3.154 7.317 ( 3.601 3.330 2.708) 5.603 7.493 ( 3.991 4.494 -2.739) 6.605 7.662 ( 2.442 2.319 -0.904) 3.487 7.697 ( -3.422 -1.908 6.295) 7.415 7.904 ( -0.180 1.770 3.825) 4.219 8.180 ( -3.419 3.604 1.350) 5.148 8.372 ( 13.161 1.727 6.263) 14.678 8.510 ( -0.981 2.657 0.928) 2.981 8.636 ( -7.032 0.590 -3.103) 7.709 8.938 ( -5.481 1.687 -7.209) 9.212 9.066 ( -4.381 1.836 1.916) 5.122 9.155 ( -3.165 2.512 -1.499) 4.310 10.072 ( -2.202 -1.150 11.774) 12.033 10.388 ( 5.049 -2.270 1.574) 5.755 10.748 ( -3.656 1.739 -0.943) 4.157 11.073 ( -2.247 0.192 -7.053) 7.405 11.596 ( -2.830 0.674 -1.214) 3.152 11.782 ( -2.150 3.167 -0.319) 3.841 12.207 ( 5.953 -0.757 -0.119) 6.002 12.262 ( -3.482 -10.738 8.151) 13.923 12.553 ( 2.402 -2.367 1.606) 3.736 12.975 ( -2.296 -5.544 -2.533) 6.513 13.294 ( 0.935 -0.418 4.541) 4.655 13.560 ( 0.972 -2.075 -3.249) 3.976 13.776 ( 2.849 -2.044 9.080) 9.734 14.025 ( 0.812 1.661 -3.966) 4.375 14.312 ( -0.578 2.013 5.059) 5.475 14.634 ( -2.061 1.401 -5.389) 5.937 15.144 ( 7.871 8.706 1.436) 11.824 15.261 ( -8.154 7.797 4.477) 12.138 15.706 ( 0.548 6.517 0.445) 6.555 16.053 ( -11.335 0.550 -1.912) 11.508 16.779 ( 21.141 9.656 3.034) 23.439 17.123 ( -17.521 1.085 0.503) 17.561 17.548 ( 0.184 2.610 5.342) 5.948 18.022 ( 3.806 3.951 0.686) 5.529 18.302 ( -15.134 -0.249 -8.901) 17.559 18.580 ( 3.556 1.884 -9.564) 10.376 18.920 ( 11.103 1.318 5.830) 12.610 19.154 ( -5.319 -4.206 -4.688) 8.244 19.859 ( -0.604 2.893 3.136) 4.309 19.961 ( 0.825 4.456 -1.663) 4.828 20.533 ( -3.555 -1.579 2.960) 4.888 20.607 ( 1.495 -0.244 -1.173) 1.915 20.871 ( -4.204 -2.789 11.236) 12.316 21.271 ( 0.576 -9.327 -6.419) 11.337 ======================= Grid point 224 (105/172) ======================= q-point: (-0.10 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -9.016 16.364 14.096) 23.404 1.502 ( -5.226 18.693 21.100) 28.670 1.781 ( 14.467 3.077 -8.553) 17.085 2.277 ( 2.609 9.944 -18.445) 21.117 2.455 ( 7.023 11.319 27.121) 30.216 3.037 ( -1.855 3.061 6.470) 7.395 3.135 ( 2.617 -0.171 1.187) 2.879 3.183 ( -4.307 -5.837 -5.671) 9.208 3.610 ( 3.599 -0.450 4.317) 5.639 3.831 ( -3.812 0.788 -7.810) 8.726 4.150 ( 0.541 -0.399 12.319) 12.338 4.447 ( 0.013 -0.063 -0.312) 0.319 4.603 ( 2.407 -2.932 -7.714) 8.597 4.696 ( -2.660 -0.665 -14.143) 14.406 5.217 ( -5.204 -3.145 1.840) 6.353 5.338 ( 3.886 -4.871 0.082) 6.232 5.414 ( 2.907 2.906 -3.063) 5.126 5.499 ( 4.090 2.529 0.051) 4.809 5.936 ( 0.516 2.514 6.646) 7.124 6.061 ( -3.300 -0.624 2.802) 4.374 6.163 ( 0.557 -2.113 4.819) 5.291 6.321 ( -1.313 4.023 -4.337) 6.059 6.449 ( -3.209 5.830 -3.040) 7.316 6.488 ( -5.913 -4.415 -10.968) 13.219 6.807 ( -6.553 -2.885 4.628) 8.525 7.047 ( 14.194 -3.635 -0.263) 14.654 7.280 ( 0.273 2.765 3.447) 4.428 7.448 ( 10.553 5.349 -5.863) 13.204 7.665 ( 3.443 0.586 3.155) 4.706 7.693 ( -6.492 -0.157 2.898) 7.112 7.896 ( 2.205 1.956 5.603) 6.331 8.079 ( -5.146 3.573 -1.362) 6.411 8.443 ( -2.589 1.191 2.861) 4.039 8.496 ( 12.962 2.241 7.773) 15.279 8.549 ( -5.337 1.890 -2.649) 6.251 8.824 ( -6.331 1.099 -8.926) 10.998 9.017 ( -3.255 1.196 2.235) 4.126 9.115 ( 1.734 1.352 -1.791) 2.836 10.134 ( 3.132 -0.570 9.157) 9.695 10.452 ( 0.813 -1.314 -2.891) 3.278 10.676 ( -4.638 2.515 3.754) 6.475 11.010 ( -2.773 0.479 -7.567) 8.073 11.561 ( -0.983 1.157 0.008) 1.518 11.685 ( -2.671 4.087 -3.598) 6.065 12.280 ( 6.358 -1.507 0.875) 6.593 12.414 ( -4.413 -5.781 -1.937) 7.526 12.736 ( 4.671 -11.787 13.473) 18.501 13.067 ( -1.239 -7.610 -3.602) 8.510 13.353 ( 1.105 -1.993 6.723) 7.099 13.584 ( -0.190 -2.049 -4.431) 4.886 13.863 ( 1.861 -1.364 6.682) 7.069 13.988 ( 0.188 0.540 -2.550) 2.613 14.314 ( -1.553 -0.506 7.660) 7.832 14.596 ( -4.400 -3.290 -7.366) 9.189 15.067 ( -6.043 6.379 1.718) 8.954 15.073 ( 10.416 8.314 0.520) 13.338 15.738 ( 11.428 -2.731 10.130) 15.513 16.012 ( -2.829 -3.389 -3.150) 5.423 16.779 ( -3.096 7.396 7.000) 10.644 16.946 ( 3.372 4.598 -4.314) 7.151 17.556 ( 5.009 2.269 6.403) 8.441 17.939 ( -4.087 6.277 -9.187) 11.853 18.143 ( -9.057 1.045 1.374) 9.220 18.509 ( 0.506 2.034 -10.373) 10.583 18.934 ( -0.010 3.602 7.984) 8.758 19.254 ( 11.750 -3.878 -8.146) 14.814 19.820 ( 0.899 2.514 1.082) 2.881 19.888 ( 1.801 3.862 -2.322) 4.853 20.557 ( -5.682 -3.935 3.974) 7.973 20.637 ( 1.817 -1.515 -0.947) 2.548 20.972 ( -6.290 -6.970 15.193) 17.859 21.388 ( 0.526 -6.584 -7.987) 10.364 ======================= Grid point 227 (106/172) ======================= q-point: ( 0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 16.737 0.000 7.270) 18.247 1.767 ( 11.092 0.000 16.813) 20.143 1.838 ( 14.900 0.000 -19.292) 24.376 2.226 ( 16.898 0.000 -11.445) 20.409 2.816 ( 1.524 0.000 -20.641) 20.697 3.139 ( 9.239 0.000 5.323) 10.663 3.202 ( 2.699 0.000 13.059) 13.335 3.455 ( -14.033 -0.000 -4.376) 14.700 3.539 ( 5.509 0.000 7.248) 9.104 3.675 ( 11.648 0.000 0.080) 11.649 4.179 ( -9.000 -0.000 -6.933) 11.361 4.240 ( -12.496 -0.000 5.964) 13.846 4.337 ( -3.153 -0.000 8.670) 9.226 4.488 ( 5.913 0.000 -9.675) 11.339 5.171 ( -2.730 -0.000 -5.451) 6.097 5.327 ( -4.935 -0.000 0.003) 4.935 5.423 ( 2.988 0.000 -3.481) 4.588 5.793 ( 8.166 0.000 -7.092) 10.816 5.900 ( 2.688 0.000 -2.750) 3.845 6.127 ( -8.659 -0.000 0.106) 8.659 6.203 ( 8.502 0.000 8.667) 12.141 6.238 ( 0.084 0.000 5.483) 5.484 6.330 ( -1.359 -0.000 -6.543) 6.682 6.419 ( 4.351 0.000 14.931) 15.552 6.895 ( -13.500 -0.000 -4.345) 14.182 7.127 ( 14.558 0.000 -1.091) 14.599 7.280 ( -3.816 -0.000 2.362) 4.488 7.535 ( 1.877 0.000 -7.987) 8.205 7.576 ( 2.086 0.000 -5.262) 5.660 7.871 ( -0.244 -0.000 3.340) 3.349 7.903 ( 2.704 0.000 0.256) 2.716 8.215 ( -9.758 -0.000 -4.391) 10.700 8.315 ( 12.788 0.000 5.451) 13.901 8.402 ( 0.553 0.000 -1.194) 1.315 8.612 ( 5.795 0.000 -1.105) 5.899 8.803 ( -2.731 -0.000 5.723) 6.342 9.147 ( 13.838 0.000 -4.612) 14.587 9.159 ( -0.716 -0.000 2.025) 2.148 10.261 ( 1.118 0.000 -6.695) 6.788 10.548 ( 7.927 0.000 8.234) 11.430 10.831 ( 0.648 0.000 9.841) 9.863 10.918 ( 2.534 0.000 -6.917) 7.367 11.555 ( -0.029 -0.000 1.620) 1.620 11.599 ( 7.102 0.000 10.554) 12.721 12.320 ( -1.120 -0.000 -6.852) 6.942 12.571 ( 6.804 0.000 2.288) 7.178 13.101 ( -12.601 -0.000 -8.015) 14.934 13.130 ( -1.324 -0.000 5.218) 5.384 13.504 ( 3.824 0.000 3.232) 5.007 13.518 ( -1.363 -0.000 -7.949) 8.065 13.755 ( -6.717 -0.000 1.908) 6.983 13.920 ( -10.089 -0.000 3.693) 10.744 14.185 ( -6.432 -0.000 6.279) 8.989 14.327 ( -3.509 -0.000 -5.882) 6.849 15.415 ( 24.019 0.000 -4.480) 24.433 15.513 ( 22.274 0.000 2.298) 22.392 15.743 ( 5.590 0.000 -8.286) 9.995 16.122 ( 6.445 0.000 -1.530) 6.624 16.959 ( 2.106 0.000 3.129) 3.772 17.328 ( 15.485 0.000 -7.870) 17.370 17.732 ( 10.118 0.000 -1.807) 10.278 17.955 ( 24.596 0.000 7.409) 25.688 18.093 ( -6.297 -0.000 -13.057) 14.496 18.449 ( -1.097 -0.000 8.223) 8.296 18.998 ( 1.567 0.000 7.973) 8.126 19.543 ( 10.708 0.000 -20.317) 22.966 19.853 ( 2.379 0.000 1.619) 2.878 19.866 ( 10.363 0.000 -10.870) 15.018 20.311 ( -19.671 -0.000 8.665) 21.495 20.604 ( -5.873 -0.000 0.563) 5.900 21.103 ( 0.025 0.000 10.242) 10.242 21.540 ( -1.536 -0.000 2.544) 2.972 ======================= Grid point 228 (107/172) ======================= q-point: ( 0.30 0.20 -0.67) 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 14.514 -0.759 -1.543) 14.615 1.945 ( 11.679 -6.569 -11.313) 17.537 1.957 ( 14.191 -4.492 2.290) 15.060 2.352 ( 13.655 -2.820 -2.873) 14.237 2.744 ( 8.867 3.579 -14.196) 17.116 3.206 ( 4.862 2.006 7.779) 9.390 3.297 ( -7.771 0.204 -0.781) 7.813 3.341 ( -0.708 -4.161 1.155) 4.376 3.553 ( -9.535 -0.568 7.565) 12.185 3.744 ( 15.972 3.748 -12.251) 20.475 4.061 ( -8.213 2.242 -1.622) 8.667 4.172 ( -11.013 -2.703 -0.742) 11.364 4.407 ( 1.234 -1.384 14.266) 14.386 4.536 ( 5.928 -2.794 -2.956) 7.189 5.157 ( -1.441 -2.274 -5.460) 6.088 5.243 ( -6.445 2.771 -1.931) 7.276 5.475 ( 4.080 -4.091 -1.556) 5.984 5.803 ( 5.049 2.589 -4.026) 6.957 5.881 ( 0.577 2.615 -2.307) 3.534 6.107 ( -4.653 -4.470 -2.217) 6.823 6.192 ( 3.922 4.365 6.990) 9.126 6.271 ( -2.641 1.695 -7.217) 7.870 6.408 ( 1.429 0.746 12.901) 13.001 6.490 ( 7.322 -3.993 8.135) 11.650 6.787 ( -5.742 -0.552 -0.112) 5.769 7.230 ( 12.647 0.819 -1.678) 12.784 7.269 ( -4.340 -0.727 5.689) 7.192 7.505 ( -0.637 1.110 -5.966) 6.101 7.567 ( 0.873 -0.464 -4.461) 4.569 7.861 ( -2.534 0.402 0.870) 2.709 7.956 ( 2.886 -1.807 1.294) 3.643 8.105 ( -7.787 0.317 -8.743) 11.713 8.381 ( 4.394 1.298 -0.881) 4.666 8.461 ( 7.230 -2.798 -0.510) 7.770 8.698 ( 7.640 -1.628 5.879) 9.776 8.795 ( -4.400 0.017 5.149) 6.773 9.157 ( -1.176 0.090 1.992) 2.315 9.258 ( 12.916 -2.090 -4.204) 13.743 10.239 ( 1.220 1.124 -5.167) 5.426 10.621 ( 5.508 1.590 5.976) 8.282 10.838 ( -1.366 1.032 3.189) 3.619 10.927 ( 1.700 -1.322 -4.274) 4.786 11.562 ( -0.526 -0.304 2.083) 2.170 11.754 ( 11.364 -1.801 17.099) 20.609 12.263 ( -1.755 1.860 -7.022) 7.473 12.596 ( 2.289 3.798 2.148) 4.928 12.889 ( -10.569 6.338 -9.078) 15.306 13.115 ( -2.133 2.425 5.763) 6.607 13.439 ( -3.070 2.562 -6.810) 7.897 13.550 ( 2.414 0.579 1.860) 3.102 13.727 ( -7.097 1.047 0.524) 7.193 13.804 ( -3.949 1.188 3.123) 5.173 14.216 ( -1.587 -3.551 5.184) 6.481 14.357 ( -1.813 -6.552 -2.933) 7.404 15.535 ( -1.546 2.042 -10.899) 11.196 15.557 ( 19.927 0.789 -6.472) 20.966 15.871 ( 23.896 3.013 -3.664) 24.362 16.342 ( 25.581 -11.486 -0.075) 28.041 16.888 ( 8.685 9.624 4.127) 13.605 17.417 ( 7.824 -0.310 -7.037) 10.527 17.749 ( 4.966 3.984 -1.599) 6.564 18.004 ( -0.154 -0.199 -6.859) 6.864 18.244 ( 16.154 -4.710 8.529) 18.864 18.465 ( -2.416 -0.209 6.220) 6.676 18.983 ( 1.411 6.376 5.202) 8.349 19.530 ( 5.749 0.823 -13.578) 14.768 19.859 ( 3.327 0.368 0.914) 3.469 19.940 ( 8.002 -2.466 -9.987) 13.033 20.240 ( -14.370 -4.618 6.271) 16.344 20.562 ( -7.042 -1.153 0.041) 7.136 21.129 ( 1.796 2.605 8.258) 8.844 21.481 ( -2.112 5.703 3.201) 6.872 ======================= Grid point 229 (108/172) ======================= q-point: ( 0.40 0.20 -0.67) 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 16.254 1.239 -9.297) 18.766 2.144 ( 4.048 -6.227 3.837) 8.360 2.166 ( 16.368 -11.192 -13.489) 23.981 2.494 ( 9.125 -2.602 -0.540) 9.504 2.750 ( 14.785 2.435 -3.615) 15.414 3.157 ( -11.145 -0.556 -5.493) 12.437 3.257 ( 0.240 1.637 10.050) 10.185 3.374 ( -6.236 1.294 -1.541) 6.553 3.520 ( -3.706 -1.830 2.413) 4.786 3.741 ( 11.271 3.357 -10.551) 15.800 3.968 ( -4.978 2.952 5.245) 7.811 4.171 ( -6.562 -5.637 -1.534) 8.786 4.472 ( 0.108 -0.283 6.795) 6.802 4.626 ( 2.412 -3.164 0.886) 4.076 5.131 ( -2.612 2.189 -4.266) 5.460 5.181 ( -2.321 -2.338 -3.679) 4.939 5.572 ( 0.395 -2.591 -5.640) 6.219 5.767 ( -2.628 1.613 2.626) 4.050 5.827 ( 2.948 3.152 0.189) 4.320 6.145 ( 1.210 6.245 15.194) 16.472 6.151 ( -1.207 0.205 -5.281) 5.421 6.190 ( -0.197 0.282 -7.330) 7.338 6.381 ( 4.633 1.213 3.904) 6.179 6.715 ( 3.456 -5.953 9.596) 11.810 6.826 ( 1.942 -4.823 -0.425) 5.216 7.255 ( 1.846 1.583 -2.009) 3.154 7.319 ( 2.031 -2.167 8.714) 9.206 7.443 ( -1.619 1.924 -2.733) 3.714 7.573 ( 1.345 -0.220 -2.749) 3.068 7.836 ( -2.332 -0.286 -0.805) 2.483 7.946 ( -6.702 0.573 -3.048) 7.385 8.091 ( 6.310 -2.481 -4.116) 7.932 8.381 ( 1.854 1.396 -0.118) 2.324 8.552 ( 5.868 -2.142 -3.905) 7.366 8.770 ( -3.270 0.543 4.087) 5.262 8.813 ( 3.676 -2.167 5.174) 6.707 9.157 ( -0.706 -0.026 2.317) 2.422 9.389 ( 9.489 -3.321 -1.653) 10.188 10.194 ( -0.308 2.790 -2.190) 3.560 10.604 ( 1.268 4.757 -0.626) 4.963 10.849 ( 1.889 -1.145 3.285) 3.958 10.940 ( -0.031 -0.791 -3.112) 3.211 11.569 ( -1.872 -0.503 1.781) 2.633 11.944 ( 11.676 -0.434 17.373) 20.937 12.177 ( -2.496 2.667 -6.162) 7.163 12.446 ( -8.628 8.267 -1.851) 12.092 12.736 ( 3.596 5.423 -4.511) 7.918 13.056 ( -2.173 5.024 6.475) 8.478 13.348 ( -2.609 1.160 -4.429) 5.270 13.533 ( 2.078 3.639 2.781) 5.030 13.646 ( -5.390 0.266 -3.049) 6.198 13.842 ( -0.745 -4.163 -0.946) 4.333 14.310 ( -0.676 -5.623 5.142) 7.649 14.461 ( -0.791 -6.154 0.978) 6.281 15.426 ( -2.564 1.624 -15.430) 15.726 15.649 ( 10.331 -0.665 -9.837) 14.281 15.953 ( 23.481 6.787 -2.531) 24.573 16.793 ( 23.522 -3.306 4.912) 24.255 16.896 ( 25.402 -2.957 2.365) 25.682 17.394 ( 2.249 4.130 -7.071) 8.492 17.651 ( -8.296 5.014 -0.710) 9.720 18.051 ( 9.041 -2.026 -0.910) 9.310 18.352 ( 1.327 3.723 6.220) 7.370 18.505 ( 0.354 -2.666 4.114) 4.915 18.862 ( 2.717 9.410 1.349) 9.887 19.498 ( 0.801 1.255 -7.940) 8.079 19.916 ( 2.495 -2.957 2.774) 4.760 20.000 ( 3.520 -2.625 -5.595) 7.113 20.265 ( -7.020 -5.213 2.280) 9.036 20.538 ( -6.141 -2.790 -1.912) 7.011 21.100 ( 1.932 5.197 5.381) 7.726 21.354 ( -1.414 8.448 4.313) 9.590 ======================= Grid point 230 (109/172) ======================= q-point: ( 0.50 0.20 -0.67) 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 15.300 2.948 -12.052) 19.698 2.251 ( 8.838 1.061 2.579) 9.267 2.479 ( 9.764 -15.728 -8.187) 20.241 2.559 ( 1.486 0.322 0.374) 1.566 2.821 ( 11.583 1.579 -4.382) 12.485 3.088 ( -6.114 -2.098 -4.673) 7.976 3.234 ( -2.426 4.832 9.729) 11.130 3.317 ( -2.219 -0.334 5.086) 5.559 3.540 ( -1.508 -2.268 -2.088) 3.432 3.730 ( 5.193 0.137 -8.342) 9.827 3.903 ( -3.754 4.515 7.812) 9.773 4.232 ( -5.025 -7.015 -3.018) 9.141 4.475 ( -4.231 0.402 5.525) 6.970 4.693 ( 1.429 -2.941 -1.392) 3.554 5.069 ( -0.275 1.938 -3.964) 4.420 5.188 ( -2.026 -2.003 -3.749) 4.708 5.462 ( -6.315 6.476 -4.203) 9.974 5.743 ( -4.203 -0.707 4.178) 5.969 5.800 ( 2.088 5.933 4.568) 7.773 6.105 ( 0.064 0.257 -5.512) 5.518 6.144 ( 9.037 1.819 11.084) 14.416 6.210 ( 0.429 -2.071 -4.479) 4.954 6.482 ( 6.783 -4.038 3.525) 8.645 6.797 ( -0.803 -0.926 4.029) 4.211 6.917 ( 0.761 -2.248 -2.893) 3.743 7.204 ( -1.344 3.110 -0.964) 3.522 7.354 ( -5.415 -1.493 -0.862) 5.683 7.473 ( 3.828 -0.584 8.209) 9.076 7.575 ( 2.057 -0.959 1.082) 2.514 7.834 ( 1.607 -0.005 -3.898) 4.217 7.882 ( -5.654 -0.629 0.805) 5.746 8.192 ( 9.845 -1.977 -0.339) 10.048 8.357 ( -0.423 2.003 0.545) 2.119 8.599 ( 4.158 -0.838 -5.373) 6.845 8.739 ( -4.497 0.505 1.653) 4.818 8.885 ( 1.230 -2.194 1.766) 3.073 9.163 ( 0.509 0.431 2.309) 2.403 9.493 ( 2.468 -2.208 1.058) 3.477 10.120 ( -2.155 4.202 2.194) 5.207 10.500 ( 0.337 5.741 -3.791) 6.888 10.902 ( 0.775 -0.150 -0.412) 0.891 10.944 ( 1.719 -1.850 -0.618) 2.600 11.563 ( -2.957 -0.706 0.948) 3.185 12.063 ( 9.490 5.676 13.760) 17.653 12.094 ( -4.778 -0.618 -7.464) 8.884 12.255 ( -2.933 5.771 0.157) 6.475 12.661 ( 4.324 5.803 -1.768) 7.449 12.973 ( -1.391 4.662 5.315) 7.205 13.343 ( 0.310 -2.397 -0.281) 2.433 13.490 ( 1.136 3.769 0.005) 3.937 13.595 ( -3.921 -0.378 -2.521) 4.677 13.905 ( -0.880 -4.594 -3.489) 5.836 14.416 ( -1.146 -3.557 5.803) 6.903 14.565 ( 0.413 -5.393 1.916) 5.738 15.326 ( -2.829 0.191 -14.585) 14.858 15.673 ( 2.668 -1.228 -11.143) 11.523 16.001 ( 24.949 9.318 -1.981) 26.706 16.887 ( 11.551 2.993 8.160) 14.456 17.203 ( -0.020 8.189 -4.225) 9.214 17.311 ( 14.244 0.910 -0.120) 14.273 17.510 ( -0.342 -1.387 1.066) 1.783 18.177 ( 10.643 -2.410 1.160) 10.974 18.277 ( -1.889 5.032 2.682) 6.007 18.532 ( -4.430 -0.660 0.565) 4.514 18.754 ( 8.304 6.832 -0.977) 10.797 19.427 ( -4.875 1.889 -6.305) 8.191 19.988 ( -0.296 -1.698 1.393) 2.216 20.049 ( 0.245 -2.771 0.949) 2.940 20.319 ( -2.878 -4.770 1.642) 5.808 20.555 ( -3.849 -5.244 -3.778) 7.523 21.033 ( 2.022 6.074 4.458) 7.801 21.198 ( -1.598 9.628 3.946) 10.527 ======================= Grid point 231 (110/172) ======================= q-point: ( 0.60 0.20 -0.67) 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 14.345 4.277 -7.212) 16.616 2.268 ( 8.766 6.636 2.121) 11.197 2.542 ( -4.140 -0.888 2.889) 5.126 2.761 ( 6.181 -8.482 -4.867) 11.569 2.831 ( 5.593 1.463 -5.294) 7.839 3.050 ( -2.188 1.556 -3.811) 4.662 3.205 ( 0.547 1.167 4.128) 4.325 3.321 ( 1.691 2.130 7.118) 7.620 3.552 ( -2.762 -0.538 -1.787) 3.333 3.765 ( -0.722 3.744 -2.799) 4.730 3.816 ( -0.660 -3.764 2.928) 4.814 4.295 ( -7.158 -7.024 -3.874) 10.751 4.456 ( -4.442 -0.125 6.167) 7.602 4.719 ( -1.056 0.060 -3.015) 3.195 4.998 ( -0.911 3.818 -1.834) 4.333 5.211 ( -1.605 -3.521 -0.036) 3.870 5.335 ( -2.723 1.126 -1.183) 3.176 5.674 ( -0.336 4.913 1.622) 5.185 5.817 ( 3.880 -0.819 10.427) 11.156 6.089 ( -0.471 -0.176 -2.674) 2.721 6.199 ( -1.245 -0.959 -5.655) 5.869 6.263 ( 10.324 0.585 2.820) 10.719 6.605 ( 3.459 -2.187 3.741) 5.544 6.782 ( -3.032 1.696 -1.209) 3.678 6.880 ( -3.363 1.783 -4.736) 6.076 7.162 ( 0.535 2.341 1.506) 2.835 7.333 ( -1.524 -0.800 -0.502) 1.793 7.493 ( -2.361 -1.011 4.393) 5.089 7.650 ( 2.498 -0.333 2.949) 3.879 7.802 ( 2.686 2.103 -4.554) 5.690 7.905 ( -1.676 -1.982 6.959) 7.427 8.304 ( 6.984 -0.009 5.095) 8.645 8.320 ( 2.182 0.890 -1.465) 2.775 8.611 ( 3.213 0.367 -5.442) 6.331 8.694 ( -4.152 0.703 -0.379) 4.228 8.929 ( -1.083 -2.733 -1.546) 3.322 9.162 ( 1.257 1.490 1.833) 2.676 9.479 ( -7.175 2.847 1.468) 7.858 10.050 ( -3.281 2.882 8.174) 9.267 10.408 ( 3.790 4.183 -4.200) 7.036 10.866 ( -1.271 1.904 -2.271) 3.225 11.007 ( 0.756 -3.071 -2.377) 3.956 11.565 ( -1.588 -1.330 1.160) 2.374 12.013 ( 4.741 8.552 8.339) 12.852 12.044 ( -6.832 -2.507 -9.152) 11.693 12.220 ( 5.064 2.897 5.309) 7.888 12.591 ( 2.819 4.489 -0.768) 5.356 12.923 ( -0.673 2.347 3.823) 4.536 13.403 ( 0.929 0.483 -2.801) 2.991 13.419 ( -0.635 -0.062 0.561) 0.849 13.597 ( 0.239 -1.881 1.823) 2.630 13.956 ( -1.435 -4.070 -5.245) 6.792 14.445 ( -3.002 0.676 6.112) 6.843 14.665 ( 2.070 -3.692 -0.145) 4.235 15.261 ( -3.587 -1.244 -9.483) 10.215 15.658 ( 0.972 -0.109 -9.196) 9.247 16.002 ( 21.663 11.020 -2.280) 24.412 16.798 ( -19.271 14.481 -0.697) 24.115 17.011 ( 9.488 3.925 6.942) 12.394 17.262 ( -1.406 4.770 0.073) 4.974 17.688 ( 11.862 -0.667 2.463) 12.133 18.190 ( 0.475 3.006 -3.440) 4.593 18.329 ( 12.378 -2.929 5.927) 14.033 18.466 ( -7.094 1.180 -3.812) 8.139 18.763 ( 13.167 1.636 -2.481) 13.498 19.295 ( -12.024 2.506 -6.351) 13.828 19.979 ( -4.083 0.958 4.162) 5.909 20.091 ( -0.550 -0.800 1.106) 1.472 20.405 ( 2.135 -4.362 1.420) 5.060 20.621 ( -4.327 -6.764 -3.799) 8.883 20.966 ( 2.308 4.948 4.881) 7.324 21.033 ( -1.726 8.306 2.171) 8.757 ======================= Grid point 232 (111/172) ======================= q-point: (-0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 14.854 4.918 1.807) 15.751 2.165 ( 3.654 11.940 3.499) 12.967 2.555 ( -6.375 0.554 1.129) 6.498 2.693 ( 6.022 8.597 0.529) 10.510 2.940 ( -0.350 -4.045 -1.768) 4.429 2.975 ( 0.199 3.121 -2.550) 4.035 3.146 ( -4.276 2.458 -2.906) 5.724 3.264 ( -3.545 12.192 -5.909) 14.005 3.566 ( 3.205 -8.452 3.244) 9.604 3.706 ( -0.293 0.604 2.988) 3.062 3.956 ( 5.410 -4.638 2.927) 7.704 4.328 ( -11.849 -6.961 -3.665) 14.223 4.461 ( -0.846 -0.165 5.140) 5.212 4.681 ( -0.734 0.095 -2.225) 2.345 4.957 ( 1.518 0.567 2.572) 3.040 5.226 ( -8.444 -2.939 -2.564) 9.302 5.384 ( 5.212 -3.887 1.836) 6.756 5.636 ( 1.859 2.016 2.671) 3.828 5.921 ( 3.981 -1.314 13.003) 13.662 6.056 ( -3.694 1.346 -3.636) 5.355 6.196 ( 3.063 -1.401 -3.967) 5.204 6.283 ( 4.402 3.070 -7.227) 9.001 6.623 ( 3.920 3.315 -0.665) 5.177 6.721 ( -6.924 0.063 2.554) 7.381 6.810 ( -0.514 3.189 -1.233) 3.457 7.073 ( -4.709 3.878 -6.190) 8.691 7.386 ( 6.594 0.647 5.752) 8.773 7.529 ( -5.155 -3.970 6.585) 9.257 7.641 ( 4.777 2.093 -4.160) 6.671 7.775 ( 1.746 2.577 -1.185) 3.330 7.944 ( -0.596 0.138 7.378) 7.404 8.280 ( -2.873 1.476 2.521) 4.097 8.406 ( 8.864 0.120 2.102) 9.111 8.589 ( 0.100 1.447 -3.752) 4.022 8.663 ( 1.190 0.916 -0.448) 1.567 8.944 ( -3.629 -1.909 -4.586) 6.152 9.146 ( 1.783 2.397 1.453) 3.322 9.311 ( -11.443 6.378 1.507) 13.187 10.035 ( -4.542 0.096 12.339) 13.148 10.387 ( 7.430 1.800 -3.297) 8.326 10.811 ( -1.581 2.063 -1.668) 3.088 11.025 ( -3.720 -2.465 -6.996) 8.298 11.595 ( 1.238 -0.902 3.505) 3.825 11.929 ( 0.570 5.107 0.719) 5.189 12.032 ( -3.737 -2.666 0.755) 4.652 12.226 ( 4.758 2.239 1.358) 5.431 12.551 ( 2.539 2.319 0.614) 3.493 12.898 ( -1.363 0.761 -0.139) 1.567 13.332 ( -0.360 2.535 -1.121) 2.795 13.479 ( 0.873 -2.946 -1.901) 3.613 13.674 ( 2.269 -3.340 5.955) 7.194 13.982 ( -1.874 -3.103 -6.037) 7.041 14.414 ( -2.350 2.588 6.126) 7.053 14.704 ( 1.654 0.381 -4.120) 4.455 15.240 ( -3.206 -1.779 -0.738) 3.740 15.608 ( 2.344 4.668 -5.370) 7.491 15.953 ( 16.533 10.589 -2.620) 19.807 16.333 ( -23.411 14.555 -2.092) 27.646 17.063 ( 11.804 4.757 5.867) 14.014 17.172 ( -4.329 3.394 1.424) 5.683 17.690 ( 0.850 5.126 4.606) 6.944 18.136 ( -1.035 1.384 -6.120) 6.360 18.342 ( -6.026 3.906 0.311) 7.188 18.541 ( 13.177 -3.997 -0.353) 13.775 18.870 ( 15.151 -2.282 -4.781) 16.051 19.107 ( -17.041 2.032 -4.430) 17.724 19.944 ( -3.129 1.669 5.693) 6.707 20.078 ( -0.035 1.799 -0.083) 1.801 20.499 ( 3.512 -2.387 1.631) 4.549 20.639 ( -5.676 -0.654 -1.390) 5.880 20.910 ( -1.988 4.911 2.908) 6.044 20.980 ( 2.947 -3.427 0.884) 4.605 ======================= Grid point 233 (112/172) ======================= q-point: (-0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 8.251 5.858 9.609) 13.955 1.942 ( 1.325 14.488 3.535) 14.972 2.290 ( -7.247 17.772 1.701) 19.268 2.657 ( 9.373 10.205 -3.966) 14.413 2.905 ( -7.478 11.485 -2.437) 13.920 2.931 ( 0.137 -4.123 2.979) 5.089 3.022 ( -0.835 -0.874 -0.133) 1.216 3.126 ( 0.579 -2.314 -9.933) 10.215 3.672 ( -0.363 1.724 6.928) 7.148 3.788 ( 2.606 -5.152 -1.464) 5.956 4.080 ( 3.942 -2.824 9.220) 10.417 4.334 ( -9.677 -6.526 -2.806) 12.005 4.490 ( 2.487 -0.791 1.453) 2.987 4.693 ( 1.511 -1.228 -5.109) 5.467 5.035 ( 4.652 -4.277 5.524) 8.394 5.195 ( -8.034 -3.324 -2.959) 9.184 5.496 ( 3.415 -2.871 1.925) 4.859 5.595 ( -1.603 4.420 1.439) 4.917 5.973 ( -5.275 0.932 -2.643) 5.973 6.012 ( 1.710 0.108 11.796) 11.920 6.205 ( 3.818 3.860 -3.347) 6.378 6.280 ( 4.565 -5.341 -12.217) 14.093 6.576 ( 4.031 6.143 0.195) 7.350 6.654 ( -5.657 3.019 0.215) 6.416 6.748 ( -4.888 1.612 4.028) 6.536 6.977 ( 3.291 1.061 -6.274) 7.164 7.389 ( -2.442 2.713 4.098) 5.488 7.593 ( 9.428 1.378 -1.476) 9.641 7.657 ( 0.741 -1.523 1.576) 2.314 7.724 ( -1.355 2.666 0.517) 3.035 7.957 ( 1.478 1.438 6.933) 7.233 8.221 ( -2.061 3.495 -1.044) 4.190 8.443 ( -4.105 -0.857 1.683) 4.519 8.561 ( 2.737 1.898 0.366) 3.351 8.669 ( 7.878 2.924 1.666) 8.567 8.875 ( -8.804 1.265 -6.834) 11.217 9.116 ( 1.943 3.886 2.023) 4.792 9.161 ( -4.400 2.192 0.435) 4.935 10.069 ( -3.413 -2.075 12.530) 13.152 10.424 ( 7.789 0.217 -2.445) 8.167 10.754 ( -3.047 1.957 -0.354) 3.639 10.989 ( -4.837 -1.601 -9.110) 10.438 11.626 ( 2.233 1.482 5.291) 5.931 11.843 ( -1.087 4.429 -2.062) 5.005 12.087 ( -4.966 -6.592 4.393) 9.349 12.252 ( 6.347 -0.395 -0.365) 6.370 12.562 ( 3.435 -0.260 3.513) 4.920 12.873 ( -2.851 -1.650 -5.397) 6.323 13.316 ( 0.946 0.152 3.346) 3.480 13.514 ( 0.169 -2.041 -4.391) 4.845 13.776 ( 0.886 -3.197 7.560) 8.256 13.995 ( -0.603 -2.169 -5.538) 5.978 14.381 ( 0.050 2.610 6.139) 6.671 14.646 ( -1.071 3.739 -6.716) 7.761 15.248 ( -2.570 1.009 6.661) 7.211 15.472 ( 3.316 11.002 -2.063) 11.675 15.880 ( 12.975 10.219 -1.041) 16.549 15.989 ( -12.576 3.907 -4.318) 13.859 17.019 ( -13.036 4.938 4.856) 14.762 17.113 ( 15.880 5.992 -1.296) 17.022 17.643 ( 2.308 3.406 8.535) 9.475 18.056 ( -7.051 0.548 -11.131) 13.187 18.232 ( -3.962 4.824 5.557) 8.358 18.604 ( 1.796 2.376 -9.706) 10.152 18.970 ( -12.139 -2.232 1.451) 12.427 19.055 ( 18.084 -4.381 -3.983) 19.028 19.914 ( -1.141 2.357 4.680) 5.363 20.036 ( 1.699 3.291 -1.434) 3.971 20.522 ( -2.857 1.351 2.747) 4.188 20.611 ( 1.485 -0.144 -1.157) 1.888 20.860 ( -3.156 0.364 7.507) 8.151 21.104 ( 1.977 -7.790 -4.139) 9.040 ======================= Grid point 234 (113/172) ======================= q-point: (-0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -18.066 15.761 5.923) 24.696 1.911 ( 5.002 16.325 18.667) 25.298 1.996 ( 16.594 9.649 -5.902) 20.082 2.466 ( 8.055 13.064 -14.326) 20.995 2.701 ( -2.809 6.077 9.090) 11.289 3.028 ( -2.627 -3.986 -7.717) 9.074 3.081 ( 5.395 -3.122 8.465) 10.512 3.160 ( 4.960 -1.576 -3.956) 6.537 3.665 ( 0.429 1.679 7.796) 7.987 3.799 ( -2.393 1.424 -4.628) 5.401 4.155 ( -6.947 -2.589 10.255) 12.654 4.399 ( -0.221 -4.415 -1.229) 4.589 4.523 ( -1.149 -1.397 -1.597) 2.413 4.671 ( 2.002 2.161 -9.998) 10.423 5.122 ( -3.765 -3.414 1.172) 5.216 5.286 ( 7.383 -6.594 2.783) 10.283 5.490 ( -3.827 2.320 0.114) 4.477 5.543 ( 4.258 2.380 -1.272) 5.042 5.931 ( -4.295 -1.809 -0.849) 4.737 6.037 ( -4.183 0.537 8.237) 9.253 6.187 ( 5.738 1.172 -2.811) 6.496 6.335 ( 0.902 -2.741 -8.555) 9.029 6.453 ( -4.623 6.127 -0.765) 7.713 6.546 ( 3.425 7.794 -0.558) 8.531 6.727 ( -5.390 -1.802 6.201) 8.412 7.067 ( 12.103 -5.233 -4.380) 13.894 7.310 ( -5.722 3.540 2.039) 7.030 7.585 ( 7.678 3.859 -9.586) 12.874 7.649 ( -6.544 1.523 3.883) 7.760 7.733 ( 5.540 -0.548 3.704) 6.687 7.987 ( 5.758 1.780 8.252) 10.218 8.118 ( -1.807 4.926 -3.829) 6.495 8.408 ( -8.758 -0.419 4.320) 9.775 8.536 ( -2.915 1.498 -0.093) 3.278 8.703 ( 12.093 3.800 3.820) 13.239 8.756 ( -5.320 1.111 -8.503) 10.092 9.066 ( 1.795 3.772 1.704) 4.511 9.138 ( 1.656 0.599 -0.418) 1.810 10.151 ( -0.377 -3.459 10.304) 10.875 10.460 ( 5.532 0.936 -5.768) 8.046 10.695 ( -4.182 1.486 4.791) 6.530 10.951 ( -1.473 -1.065 -7.598) 7.812 11.617 ( 1.715 3.271 4.601) 5.900 11.734 ( -2.051 4.937 -3.853) 6.589 12.206 ( -4.863 -8.832 1.740) 10.232 12.336 ( 7.068 -2.221 0.229) 7.412 12.665 ( 4.422 -5.677 9.471) 11.895 12.893 ( -2.842 -6.757 -7.735) 10.657 13.357 ( 1.045 -1.547 5.576) 5.880 13.523 ( -1.052 -1.755 -5.246) 5.631 13.849 ( -2.185 -2.431 6.448) 7.229 13.992 ( -0.164 0.602 -4.100) 4.147 14.370 ( 0.870 2.710 6.307) 6.919 14.533 ( -2.832 2.484 -5.782) 6.901 15.148 ( -5.187 7.108 2.538) 9.158 15.355 ( 13.763 9.204 0.892) 16.581 15.868 ( 11.755 4.620 2.629) 12.901 15.920 ( 1.271 -4.519 -4.505) 6.507 16.774 ( -20.079 8.412 3.181) 22.001 17.174 ( 21.480 3.788 -1.652) 21.874 17.678 ( 5.935 1.336 11.058) 12.621 17.905 ( -10.758 2.558 -13.620) 17.544 18.162 ( -1.270 4.001 9.260) 10.167 18.495 ( -3.632 1.785 -10.129) 10.908 18.953 ( -4.842 -1.094 2.402) 5.515 19.256 ( 15.551 -4.512 -6.394) 17.409 19.875 ( -0.180 2.981 2.449) 3.862 19.981 ( 4.058 4.310 -3.768) 7.017 20.489 ( -5.096 -0.375 4.803) 7.012 20.628 ( 2.181 -0.358 -1.349) 2.590 20.907 ( -3.249 -3.628 12.162) 13.100 21.233 ( 1.204 -7.813 -7.153) 10.661 ======================= Grid point 238 (114/172) ======================= q-point: ( 0.30 0.30 -0.67) 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 11.346 0.000 -5.961) 12.816 1.908 ( 5.655 0.000 -9.495) 11.051 2.074 ( 22.566 0.000 -7.171) 23.678 2.437 ( 12.876 0.000 -0.411) 12.883 2.837 ( 15.989 0.000 -7.150) 17.515 3.141 ( -18.894 -0.000 -5.518) 19.683 3.283 ( -2.550 -0.000 5.069) 5.674 3.371 ( 10.528 0.000 7.144) 12.723 3.492 ( -12.045 -0.000 4.420) 12.830 3.833 ( 11.050 0.000 -14.731) 18.415 3.980 ( -8.377 -0.000 -6.732) 10.746 4.083 ( -9.448 -0.000 6.572) 11.509 4.503 ( 4.855 0.000 19.649) 20.240 4.558 ( 11.058 0.000 -7.244) 13.219 5.115 ( 0.786 0.000 -4.208) 4.281 5.205 ( -6.737 -0.000 -2.693) 7.256 5.448 ( 1.685 0.000 -0.665) 1.811 5.809 ( -4.295 -0.000 -2.782) 5.118 5.980 ( -6.642 -0.000 -3.958) 7.732 5.988 ( 11.977 0.000 -0.151) 11.978 6.230 ( -2.306 -0.000 -8.084) 8.407 6.323 ( 3.050 0.000 6.045) 6.771 6.424 ( 9.943 0.000 7.608) 12.520 6.609 ( 2.361 0.000 16.904) 17.068 6.712 ( -5.721 -0.000 -1.315) 5.870 7.252 ( -4.924 -0.000 8.477) 9.803 7.335 ( 11.622 0.000 -2.150) 11.819 7.501 ( -0.492 -0.000 -1.825) 1.890 7.535 ( -2.037 -0.000 -2.065) 2.900 7.827 ( -5.589 -0.000 -1.441) 5.772 7.992 ( 7.066 0.000 0.595) 7.091 7.999 ( -7.526 -0.000 -10.981) 13.313 8.408 ( 1.048 0.000 -1.148) 1.554 8.493 ( 9.069 0.000 -3.966) 9.899 8.778 ( -4.879 -0.000 4.530) 6.658 8.780 ( 6.622 0.000 9.369) 11.473 9.153 ( -2.078 -0.000 3.584) 4.143 9.327 ( 13.380 0.000 -5.984) 14.657 10.241 ( 1.582 0.000 -5.006) 5.250 10.694 ( 1.880 0.000 4.018) 4.437 10.833 ( -3.236 -0.000 2.508) 4.094 10.909 ( 3.008 0.000 -6.182) 6.875 11.565 ( -0.597 -0.000 2.240) 2.318 11.927 ( 12.735 0.000 22.320) 25.698 12.219 ( -4.972 -0.000 -6.843) 8.459 12.685 ( 5.134 0.000 1.463) 5.338 12.806 ( -11.507 -0.000 -6.214) 13.078 13.128 ( -4.327 -0.000 6.170) 7.536 13.410 ( -3.756 -0.000 -8.407) 9.208 13.555 ( 1.086 0.000 -2.320) 2.562 13.716 ( -0.488 -0.000 2.436) 2.485 13.817 ( -7.331 -0.000 10.245) 12.598 14.202 ( 0.365 0.000 4.116) 4.133 14.256 ( 1.117 0.000 -6.338) 6.436 15.471 ( -4.815 -0.000 -15.576) 16.303 15.594 ( 6.599 0.000 -15.432) 16.784 16.270 ( 44.751 0.000 2.182) 44.804 16.422 ( 30.832 0.000 -0.101) 30.832 17.021 ( 1.300 0.000 7.374) 7.488 17.474 ( 10.135 0.000 -6.780) 12.194 17.866 ( 7.031 0.000 -0.895) 7.088 17.874 ( -8.055 -0.000 -11.571) 14.099 18.403 ( 18.007 0.000 8.344) 19.846 18.468 ( -4.652 -0.000 8.397) 9.600 19.093 ( 3.559 0.000 6.263) 7.204 19.519 ( 3.338 0.000 -12.824) 13.251 19.904 ( 2.576 0.000 0.900) 2.729 19.942 ( 6.220 0.000 -9.036) 10.970 20.089 ( -10.760 -0.000 3.561) 11.334 20.481 ( -10.039 -0.000 0.924) 10.082 21.214 ( 3.778 0.000 8.722) 9.505 21.520 ( -3.717 -0.000 4.133) 5.558 ======================= Grid point 239 (115/172) ======================= q-point: ( 0.40 0.30 -0.67) 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 14.180 -2.794 -6.206) 15.728 1.954 ( 5.753 -5.986 -11.322) 14.039 2.243 ( 19.703 -2.402 -5.902) 20.708 2.542 ( 10.789 -1.153 -2.410) 11.115 2.897 ( -0.044 1.156 -4.401) 4.550 3.017 ( -1.265 -0.136 -0.823) 1.515 3.255 ( -7.231 -0.755 0.405) 7.282 3.380 ( -8.207 2.292 4.769) 9.764 3.480 ( 3.309 -0.649 0.981) 3.512 3.830 ( 4.844 2.027 -8.685) 10.149 3.937 ( -4.354 -3.058 0.313) 5.329 4.050 ( -7.459 -1.680 4.009) 8.633 4.572 ( 6.799 4.227 8.920) 11.986 4.633 ( 8.208 -0.083 -2.072) 8.466 5.122 ( 1.978 -0.612 -4.807) 5.234 5.131 ( -4.486 0.949 -1.508) 4.827 5.504 ( 1.380 -4.183 -0.646) 4.452 5.729 ( -9.882 1.170 -0.448) 9.961 5.904 ( -2.068 1.320 -3.368) 4.167 6.121 ( 12.337 -1.058 0.815) 12.410 6.159 ( -2.976 1.198 -8.108) 8.720 6.330 ( 6.278 3.238 6.156) 9.370 6.521 ( 0.567 6.222 10.082) 11.861 6.663 ( 5.275 -6.210 7.231) 10.894 6.760 ( -1.285 -3.758 4.743) 6.187 7.255 ( -3.888 -0.488 7.778) 8.709 7.367 ( 0.303 2.998 1.106) 3.210 7.481 ( 4.907 0.873 1.114) 5.107 7.548 ( -1.319 -1.802 -0.492) 2.287 7.782 ( -5.171 -1.545 -2.616) 5.998 7.894 ( -3.489 0.815 -10.257) 10.865 8.085 ( 7.328 -3.117 -0.508) 7.980 8.408 ( 0.808 0.421 -1.063) 1.400 8.550 ( 6.412 -0.976 -4.933) 8.149 8.751 ( -4.843 0.378 3.765) 6.146 8.854 ( 2.452 -0.178 6.369) 6.827 9.160 ( -0.954 -0.358 5.191) 5.290 9.420 ( 11.387 -1.241 -4.833) 12.432 10.219 ( 0.144 1.383 -3.596) 3.856 10.658 ( -3.456 2.483 -3.994) 5.836 10.851 ( 0.604 -1.076 5.672) 5.804 10.918 ( 2.620 -0.533 -4.963) 5.637 11.567 ( -1.018 0.253 2.452) 2.667 12.033 ( -5.221 -0.675 -1.774) 5.555 12.208 ( 7.288 1.471 16.172) 17.799 12.577 ( -1.483 9.986 0.922) 10.137 12.791 ( 2.386 -0.691 -1.986) 3.180 13.108 ( -4.615 1.241 6.965) 8.447 13.325 ( -3.470 1.522 -6.782) 7.768 13.553 ( -0.958 -0.678 -5.114) 5.247 13.686 ( -0.830 4.417 5.267) 6.924 13.806 ( 0.012 0.104 3.833) 3.834 14.227 ( -1.292 -3.709 3.286) 5.121 14.343 ( 1.611 -6.897 -1.286) 7.199 15.353 ( -3.288 1.223 -19.152) 19.470 15.579 ( 0.956 -2.517 -18.347) 18.544 16.424 ( 39.113 13.465 1.093) 41.381 16.897 ( 30.440 -10.586 4.313) 32.515 17.055 ( 12.446 0.207 5.914) 13.781 17.485 ( 7.395 4.044 -7.585) 11.339 17.676 ( -9.504 6.478 -4.152) 12.228 17.997 ( 2.743 -6.877 -3.131) 8.039 18.429 ( -4.942 2.913 6.400) 8.595 18.541 ( 6.841 0.212 5.754) 8.941 19.072 ( 4.832 8.224 4.699) 10.633 19.481 ( -0.932 0.869 -8.787) 8.879 19.906 ( -1.481 -0.692 3.695) 4.041 19.959 ( 0.414 -2.229 -1.746) 2.861 20.128 ( 1.793 -5.377 -5.082) 7.612 20.419 ( -9.980 -2.428 -0.501) 10.283 21.241 ( 4.205 4.375 7.214) 9.427 21.469 ( -3.205 4.352 5.185) 7.489 ======================= Grid point 240 (116/172) ======================= q-point: ( 0.50 0.30 -0.67) 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 13.568 1.788 -8.754) 16.246 2.155 ( 4.113 -12.255 -1.521) 13.016 2.416 ( 16.109 -3.803 -8.133) 18.442 2.579 ( -0.674 1.509 -4.536) 4.828 2.862 ( -0.999 -4.797 -6.455) 8.104 3.033 ( 1.708 2.284 0.127) 2.855 3.230 ( -4.800 -1.782 0.272) 5.127 3.355 ( 0.376 -0.857 12.200) 12.236 3.471 ( -0.264 0.578 -6.426) 6.457 3.796 ( 2.637 3.079 -2.895) 4.981 3.956 ( -4.728 0.736 7.871) 9.211 4.058 ( -5.935 -4.953 -2.115) 8.015 4.536 ( 0.345 5.512 6.673) 8.662 4.679 ( 7.251 0.149 -4.605) 8.591 5.082 ( -0.862 0.670 -1.300) 1.697 5.138 ( 0.944 -0.775 -3.956) 4.140 5.511 ( -2.809 4.679 -3.153) 6.303 5.683 ( -4.792 -4.150 4.966) 8.053 5.848 ( -3.553 0.949 -5.400) 6.534 6.074 ( -2.401 0.158 -9.253) 9.560 6.243 ( 10.972 2.009 7.015) 13.177 6.353 ( 8.749 5.055 10.676) 14.699 6.500 ( 4.468 -0.403 5.660) 7.222 6.769 ( -3.979 -2.009 4.483) 6.322 6.846 ( -0.907 -4.184 -0.814) 4.358 7.268 ( 1.370 0.679 5.862) 6.059 7.284 ( -7.360 1.896 0.181) 7.602 7.509 ( -2.504 0.775 1.283) 2.918 7.592 ( 7.099 -1.935 5.074) 8.938 7.796 ( -3.200 -3.804 1.584) 5.217 7.840 ( 1.494 0.166 -8.913) 9.039 8.212 ( 8.322 -4.219 -0.764) 9.362 8.388 ( -0.714 1.683 -0.629) 1.933 8.586 ( 3.397 -0.939 -5.478) 6.514 8.720 ( -3.950 0.508 2.533) 4.720 8.875 ( -0.995 -0.046 1.724) 1.991 9.189 ( 0.711 -0.253 5.858) 5.906 9.498 ( 5.992 -0.558 -2.303) 6.443 10.167 ( -2.024 2.625 -0.679) 3.383 10.557 ( -2.276 3.208 -6.595) 7.679 10.897 ( -0.667 -1.233 3.221) 3.513 10.924 ( 2.297 -0.136 -3.712) 4.367 11.558 ( -1.247 0.602 2.881) 3.197 11.954 ( -9.929 -2.197 -9.046) 13.610 12.315 ( 8.707 3.626 18.260) 20.552 12.404 ( 2.053 10.958 4.857) 12.160 12.779 ( 3.434 4.118 -1.141) 5.482 13.053 ( -3.075 3.745 4.248) 6.444 13.295 ( -0.909 -2.239 -1.212) 2.703 13.514 ( -2.269 0.766 -6.472) 6.901 13.629 ( 1.710 4.317 4.852) 6.716 13.829 ( 0.664 -1.725 -1.558) 2.418 14.339 ( -1.353 -6.872 5.628) 8.984 14.465 ( -0.238 -6.099 1.272) 6.235 15.237 ( -2.135 0.467 -19.189) 19.313 15.553 ( -1.840 -3.604 -18.984) 19.411 16.483 ( 35.575 14.602 -0.030) 38.455 17.028 ( 3.650 1.919 10.078) 10.889 17.335 ( -6.108 10.625 -5.368) 13.380 17.448 ( 19.876 -1.674 -0.494) 19.953 17.507 ( 6.997 -2.037 0.094) 7.288 18.116 ( -1.599 -6.685 -4.387) 8.154 18.353 ( -1.616 3.647 5.040) 6.427 18.562 ( -0.012 2.325 4.066) 4.684 18.966 ( 6.801 9.348 2.656) 11.861 19.395 ( -4.809 2.653 -8.031) 9.730 19.954 ( -0.282 -2.922 1.698) 3.391 20.004 ( 0.399 -2.826 0.450) 2.889 20.203 ( -4.002 -4.987 2.153) 6.747 20.418 ( -3.293 -4.996 -5.668) 8.242 21.199 ( 4.792 6.898 5.658) 10.127 21.356 ( -3.217 7.952 5.288) 10.077 ======================= Grid point 241 (117/172) ======================= q-point: ( 0.60 0.30 -0.67) 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 12.734 2.168 -4.410) 13.649 2.324 ( -1.681 -4.621 0.101) 4.918 2.479 ( -9.668 -0.946 0.117) 9.715 2.622 ( 14.280 -7.485 -11.577) 19.849 2.956 ( 10.603 -0.187 -4.667) 11.587 2.983 ( -5.238 -0.466 -4.543) 6.950 3.218 ( -3.886 -1.087 6.784) 7.893 3.448 ( -2.647 -4.100 -7.396) 8.861 3.474 ( 7.652 2.989 12.295) 14.787 3.755 ( 2.383 -0.190 -1.098) 2.631 3.866 ( -7.488 6.619 5.291) 11.308 4.092 ( -7.570 -5.677 -3.427) 10.063 4.486 ( -0.225 2.222 5.042) 5.514 4.701 ( 3.118 0.217 -5.768) 6.560 5.064 ( 1.709 2.468 -0.509) 3.045 5.136 ( -2.661 -1.199 -0.859) 3.043 5.369 ( -2.625 4.855 0.334) 5.529 5.722 ( -1.784 1.096 -1.187) 2.406 5.831 ( 1.786 -3.971 0.659) 4.404 6.037 ( -2.882 -1.723 -6.632) 7.434 6.264 ( 5.858 5.865 9.893) 12.907 6.408 ( 11.257 3.381 5.548) 12.997 6.600 ( 2.947 -2.936 5.340) 6.769 6.751 ( -6.625 -0.135 -1.099) 6.717 6.853 ( -2.577 -0.889 -2.010) 3.387 7.170 ( -7.815 2.108 -6.857) 10.608 7.336 ( 6.162 -1.377 8.838) 10.862 7.479 ( -4.219 0.110 3.860) 5.719 7.688 ( 4.742 0.164 1.682) 5.034 7.829 ( 3.787 0.012 -5.472) 6.655 7.872 ( -0.506 -4.002 7.045) 8.118 8.322 ( 0.334 -0.167 -5.406) 5.418 8.361 ( 3.758 -1.431 4.592) 6.104 8.598 ( 1.603 -0.709 -5.200) 5.488 8.694 ( -1.030 0.699 1.348) 1.835 8.867 ( -2.611 -0.996 -1.588) 3.214 9.218 ( 1.778 0.876 5.303) 5.662 9.491 ( -1.833 3.080 -0.873) 3.689 10.099 ( -3.791 2.753 3.937) 6.120 10.476 ( 2.237 2.522 -6.740) 7.536 10.881 ( -2.612 1.327 -0.694) 3.011 10.941 ( -0.333 -1.466 -3.064) 3.413 11.566 ( 1.132 -0.334 4.280) 4.440 11.897 ( -7.778 -3.021 -7.938) 11.517 12.261 ( 3.315 10.733 8.273) 13.951 12.353 ( 5.135 4.471 8.793) 11.121 12.708 ( 2.649 5.929 0.807) 6.544 12.985 ( -0.664 3.534 2.607) 4.441 13.353 ( 0.182 -3.831 0.807) 3.919 13.443 ( -1.359 2.558 -6.249) 6.887 13.611 ( 2.059 1.159 4.596) 5.167 13.861 ( 0.032 -2.882 -4.496) 5.340 14.436 ( -2.073 -2.270 5.460) 6.266 14.582 ( -0.384 -6.878 2.163) 7.220 15.158 ( -1.973 -1.329 -14.107) 14.306 15.536 ( -2.267 -4.804 -17.465) 18.255 16.477 ( 30.601 16.212 -0.909) 34.642 16.896 ( -20.478 14.979 -0.752) 25.382 17.124 ( 0.063 1.524 9.405) 9.528 17.376 ( 3.810 6.125 -1.672) 7.405 17.786 ( 14.971 -1.967 1.207) 15.148 18.117 ( -12.094 -2.629 -6.038) 13.771 18.400 ( 13.126 -1.896 4.985) 14.168 18.507 ( -3.087 3.815 4.118) 6.406 18.900 ( 6.432 4.751 -0.658) 8.023 19.243 ( -6.000 5.136 -9.729) 12.532 19.974 ( -2.826 -0.136 3.176) 4.254 20.067 ( 1.206 -2.401 0.373) 2.713 20.297 ( -4.136 -8.314 4.999) 10.546 20.476 ( 0.304 -5.059 -6.304) 8.088 21.128 ( 3.814 7.771 5.289) 10.144 21.189 ( -2.474 9.520 3.189) 10.340 ======================= Grid point 242 (118/172) ======================= q-point: (-0.30 -0.70 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 11.622 1.933 2.938) 12.142 2.299 ( -7.215 2.820 -3.545) 8.519 2.460 ( -6.163 -3.722 4.136) 8.303 2.804 ( 5.666 -7.735 -10.533) 14.244 2.912 ( 3.582 5.108 -2.300) 6.650 2.948 ( -2.918 2.590 -3.095) 4.980 3.254 ( -0.035 5.072 2.196) 5.527 3.416 ( -0.108 5.780 -2.763) 6.407 3.488 ( 3.142 -3.360 4.844) 6.681 3.696 ( -6.252 3.744 1.301) 7.403 3.907 ( 7.554 -8.241 3.918) 11.847 4.100 ( -10.206 -4.943 -3.192) 11.780 4.493 ( 1.713 0.320 5.184) 5.470 4.675 ( -0.133 0.856 -4.433) 4.517 5.020 ( 2.116 3.316 3.671) 5.381 5.119 ( -6.124 -0.985 -1.622) 6.411 5.364 ( 3.081 -2.535 2.649) 4.789 5.679 ( 0.775 0.919 -4.742) 4.892 5.940 ( 0.489 -3.983 4.573) 6.084 6.030 ( 0.133 -1.174 -3.545) 3.737 6.238 ( 4.876 4.888 4.602) 8.298 6.392 ( 2.951 6.225 -0.844) 6.940 6.662 ( -3.330 -1.330 5.319) 6.414 6.709 ( 2.232 1.201 0.854) 2.674 6.834 ( -2.455 1.050 -1.164) 2.913 7.043 ( -6.086 1.283 -9.579) 11.422 7.458 ( -3.603 0.980 5.225) 6.422 7.483 ( 8.333 -3.732 9.018) 12.833 7.692 ( 3.556 1.519 -3.071) 4.938 7.818 ( 2.259 2.016 -6.103) 6.813 7.968 ( 0.908 -1.816 10.604) 10.797 8.277 ( -3.452 0.513 0.159) 3.493 8.423 ( -1.051 -1.088 -1.192) 1.926 8.598 ( 2.675 0.190 -4.076) 4.879 8.706 ( 3.183 -0.364 2.062) 3.809 8.855 ( -3.346 -1.448 -4.241) 5.593 9.224 ( 0.869 2.254 4.745) 5.325 9.363 ( -4.160 7.095 -0.018) 8.225 10.051 ( -5.279 1.147 8.539) 10.105 10.456 ( 6.515 1.093 -6.073) 8.973 10.818 ( -5.599 1.423 -1.012) 5.865 10.937 ( -0.998 -0.613 -4.816) 4.956 11.624 ( 4.036 -1.170 6.219) 7.505 11.861 ( -6.874 -2.766 -6.898) 10.123 12.144 ( 1.285 8.520 8.573) 12.155 12.326 ( 4.248 4.348 0.703) 6.119 12.642 ( 2.525 4.561 3.907) 6.515 12.925 ( -0.928 3.493 -0.867) 3.717 13.366 ( -0.426 2.461 -3.559) 4.348 13.418 ( 0.238 -3.306 -1.973) 3.857 13.662 ( 1.530 -2.373 6.090) 6.713 13.891 ( 0.161 -2.934 -6.092) 6.763 14.445 ( -2.851 0.632 5.585) 6.303 14.684 ( 1.442 -3.081 -2.327) 4.121 15.155 ( -1.565 -3.976 -2.414) 4.908 15.544 ( -1.606 -4.641 -13.933) 14.773 16.396 ( -9.794 15.532 -1.071) 18.393 16.413 ( 10.726 18.383 -1.515) 21.337 17.134 ( -4.688 1.838 8.368) 9.766 17.318 ( 8.981 5.340 -0.613) 10.466 17.816 ( 1.973 5.109 4.587) 7.144 18.026 ( -13.405 -2.185 -6.748) 15.165 18.418 ( -3.684 4.500 4.724) 7.493 18.600 ( 15.491 -2.898 0.136) 15.760 18.852 ( -11.168 -0.375 -2.029) 11.357 19.100 ( 9.672 5.312 -9.960) 14.865 19.963 ( -2.768 0.490 5.569) 6.238 20.098 ( 1.287 -0.031 -0.375) 1.341 20.441 ( -2.125 -7.591 3.185) 8.502 20.541 ( 0.152 -4.137 -3.203) 5.234 21.005 ( -3.484 6.907 3.700) 8.575 21.062 ( 4.700 7.052 1.455) 8.599 ======================= Grid point 243 (119/172) ======================= q-point: (-0.20 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -7.388 7.406 3.852) 11.147 2.135 ( 2.660 4.221 1.229) 5.138 2.487 ( -0.508 3.231 6.312) 7.109 2.818 ( -10.745 3.109 -8.209) 13.875 2.861 ( 6.070 1.307 -9.020) 10.951 2.923 ( 3.935 -3.856 -0.837) 5.572 3.059 ( -3.163 11.095 1.834) 11.682 3.236 ( 5.418 10.798 -2.922) 12.429 3.667 ( -0.992 -3.564 4.915) 6.151 3.691 ( -0.811 -7.870 1.105) 7.989 4.058 ( -6.994 -2.073 1.186) 7.390 4.149 ( 5.332 -8.308 1.413) 9.972 4.529 ( 2.990 0.407 4.568) 5.475 4.667 ( 1.434 -1.156 -2.850) 3.394 5.054 ( 5.000 -2.039 6.859) 8.730 5.072 ( -6.486 -1.109 -2.854) 7.173 5.457 ( 0.710 -3.019 3.701) 4.828 5.644 ( -1.129 1.067 -5.434) 5.652 5.969 ( -1.831 1.277 2.164) 3.109 6.059 ( 2.134 -0.724 -0.120) 2.257 6.224 ( 4.136 1.034 -3.275) 5.376 6.294 ( 2.579 4.507 -3.136) 6.067 6.606 ( -10.652 2.142 1.094) 10.920 6.749 ( 9.313 2.447 2.959) 10.074 6.766 ( -4.297 2.522 3.999) 6.389 6.979 ( 2.154 -0.112 -8.017) 8.302 7.415 ( -4.379 2.164 4.043) 6.340 7.648 ( 6.254 -3.222 6.563) 9.621 7.685 ( 4.563 1.300 -3.517) 5.906 7.745 ( -1.433 3.222 -7.101) 7.928 8.036 ( 4.128 0.628 10.604) 11.396 8.246 ( -1.641 1.089 -2.276) 3.010 8.384 ( -7.733 0.042 1.413) 7.861 8.596 ( 0.581 1.054 -3.357) 3.566 8.734 ( -3.980 -0.979 0.282) 4.109 8.834 ( 3.781 1.096 -3.863) 5.516 9.171 ( -4.540 2.625 1.963) 5.600 9.257 ( 6.895 6.332 3.562) 10.016 10.046 ( -5.629 -1.513 10.272) 11.811 10.481 ( 7.885 0.312 -6.282) 10.087 10.740 ( -7.687 0.874 0.386) 7.746 10.920 ( 0.798 -0.004 -4.552) 4.621 11.699 ( 4.109 0.379 7.157) 8.262 11.828 ( -4.954 -2.007 -6.461) 8.385 12.051 ( -3.420 4.211 7.603) 9.340 12.306 ( 6.607 1.608 -2.925) 7.402 12.626 ( 3.091 2.076 6.229) 7.257 12.833 ( -3.346 2.788 -7.153) 8.375 13.335 ( -0.110 0.365 1.212) 1.271 13.458 ( 0.313 -2.390 -4.399) 5.016 13.743 ( -1.103 -3.455 5.872) 6.902 13.928 ( 2.179 -2.890 -5.314) 6.429 14.433 ( -1.480 1.032 6.379) 6.630 14.679 ( 1.335 2.599 -6.967) 7.555 15.239 ( -0.917 -3.644 8.402) 9.204 15.540 ( -0.572 -0.670 -9.212) 9.254 15.959 ( -19.293 9.385 -2.917) 21.652 16.301 ( 25.238 17.531 -0.818) 30.740 17.028 ( -11.173 5.627 5.005) 13.474 17.319 ( 11.510 3.973 -1.846) 12.316 17.758 ( -0.589 3.940 8.841) 9.697 17.929 ( -10.114 -1.007 -7.006) 12.345 18.331 ( -3.477 4.400 6.151) 8.324 18.583 ( -11.052 2.988 -10.394) 15.463 18.842 ( -0.474 -4.211 1.954) 4.667 19.152 ( 19.281 0.115 -7.008) 20.515 19.957 ( -1.266 1.086 5.725) 5.963 20.090 ( 2.073 1.876 -1.558) 3.201 20.505 ( -5.352 -1.753 1.749) 5.897 20.610 ( 3.801 -2.622 0.432) 4.638 20.901 ( -2.276 4.151 3.450) 5.858 21.027 ( 2.643 -0.493 -1.464) 3.061 ======================= Grid point 244 (120/172) ======================= q-point: (-0.10 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -18.137 13.140 0.546) 22.403 2.197 ( 12.685 3.129 4.657) 13.870 2.329 ( 2.601 15.994 4.134) 16.723 2.640 ( -4.397 4.753 -10.785) 12.580 2.790 ( 3.054 9.131 0.248) 9.632 2.933 ( -3.243 -2.467 -4.557) 6.114 3.083 ( 7.999 -6.729 2.698) 10.796 3.180 ( 8.218 2.401 -0.117) 8.563 3.684 ( -5.781 -1.582 4.624) 7.570 3.794 ( 0.569 -0.964 -0.664) 1.302 4.023 ( -11.888 -3.273 1.705) 12.448 4.331 ( 5.181 -5.052 0.949) 7.298 4.546 ( 1.327 2.035 3.580) 4.326 4.687 ( 2.979 0.267 -5.399) 6.172 5.050 ( -2.543 -2.373 -0.111) 3.480 5.239 ( 7.959 -8.565 8.655) 14.547 5.454 ( -6.791 1.640 2.585) 7.449 5.622 ( 2.891 -0.432 -4.828) 5.644 5.899 ( -2.075 4.646 -0.189) 5.092 6.052 ( -4.458 1.019 1.211) 4.731 6.225 ( 6.382 0.251 -7.939) 10.189 6.282 ( 1.041 -1.119 -2.763) 3.158 6.463 ( -9.274 3.363 -2.175) 10.102 6.708 ( -2.181 2.933 5.371) 6.497 6.777 ( 9.149 5.790 6.190) 12.471 7.035 ( 8.342 -4.658 -6.106) 11.339 7.341 ( -4.103 3.686 1.583) 5.738 7.637 ( 0.381 2.912 -6.750) 7.361 7.650 ( -5.286 2.155 0.127) 5.710 7.767 ( 5.951 -1.675 0.970) 6.258 8.113 ( 8.783 1.215 9.049) 12.669 8.175 ( 0.172 3.822 -5.616) 6.796 8.339 ( -10.007 -0.936 5.933) 11.671 8.516 ( -8.306 1.688 -2.664) 8.884 8.710 ( -0.192 -0.177 -3.827) 3.836 8.846 ( 6.188 2.383 0.080) 6.631 9.126 ( -0.233 1.049 0.199) 1.093 9.235 ( 8.888 5.495 4.131) 11.236 10.098 ( -4.322 -4.353 8.932) 10.835 10.501 ( 5.859 0.801 -9.347) 11.061 10.689 ( -5.066 -0.195 6.584) 8.310 10.919 ( 2.544 -0.151 -3.484) 4.317 11.711 ( 0.923 2.698 4.386) 5.231 11.779 ( -1.244 3.179 -4.701) 5.810 12.043 ( -5.042 -4.778 5.684) 8.976 12.361 ( 8.040 -1.784 -2.004) 8.476 12.675 ( 3.832 -1.316 8.212) 9.157 12.745 ( -4.916 -1.769 -10.992) 12.171 13.350 ( -1.065 -1.308 3.317) 3.721 13.472 ( 0.152 -1.205 -4.913) 5.061 13.803 ( -3.325 -2.888 4.045) 5.980 13.974 ( 2.335 -1.386 -3.223) 4.214 14.439 ( 0.189 1.158 6.855) 6.955 14.575 ( -0.298 5.641 -6.062) 8.286 15.233 ( -4.512 4.778 3.905) 7.644 15.534 ( 7.149 0.908 -0.846) 7.255 15.796 ( -5.650 -2.658 -4.310) 7.587 16.215 ( 24.890 14.146 0.734) 28.639 16.816 ( -11.739 8.785 2.181) 14.824 17.355 ( 12.573 1.514 -3.086) 13.034 17.725 ( -7.253 0.016 3.084) 7.882 17.861 ( 0.636 2.366 0.982) 2.640 18.259 ( -3.237 3.409 6.680) 8.168 18.420 ( -9.758 0.104 -6.227) 11.576 18.893 ( -0.783 -1.815 -2.490) 3.179 19.295 ( 15.459 -2.360 -6.031) 16.761 19.940 ( -0.035 2.638 4.347) 5.085 20.059 ( 3.338 2.803 -3.705) 5.720 20.477 ( -4.445 0.534 2.923) 5.347 20.661 ( 4.392 1.349 -0.702) 4.647 20.870 ( -3.494 -1.711 8.362) 9.223 21.094 ( 1.280 -5.782 -5.266) 7.925 ======================= Grid point 249 (121/172) ======================= q-point: ( 0.40 0.40 -0.67) 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 15.644 0.000 -3.419) 16.013 1.945 ( 10.456 0.000 -9.675) 14.245 2.341 ( 16.502 0.000 -7.904) 18.297 2.598 ( 6.009 0.000 -4.512) 7.515 2.733 ( -17.357 -0.000 -5.886) 18.328 3.131 ( -16.528 -0.000 -5.634) 17.462 3.158 ( 18.235 0.000 1.846) 18.329 3.329 ( -7.839 -0.000 2.441) 8.210 3.555 ( 5.307 0.000 5.793) 7.856 3.822 ( -6.210 -0.000 -0.990) 6.288 3.873 ( 2.094 0.000 -2.694) 3.412 3.988 ( -8.250 -0.000 3.343) 8.901 4.719 ( 14.369 0.000 -5.410) 15.354 4.727 ( 7.613 0.000 8.208) 11.195 5.106 ( -3.005 -0.000 -1.706) 3.456 5.122 ( 3.324 0.000 -3.600) 4.900 5.467 ( -0.046 -0.000 3.483) 3.483 5.652 ( -10.812 -0.000 0.191) 10.814 5.857 ( -3.954 -0.000 -5.783) 7.005 6.105 ( -4.389 -0.000 -10.071) 10.986 6.265 ( 17.271 0.000 6.372) 18.409 6.425 ( 4.538 0.000 3.206) 5.557 6.608 ( 4.068 0.000 5.866) 7.138 6.687 ( -0.308 -0.000 6.387) 6.394 6.733 ( -0.933 -0.000 10.733) 10.774 7.255 ( -3.909 -0.000 9.646) 10.407 7.407 ( -4.931 -0.000 3.145) 5.848 7.504 ( -0.420 -0.000 4.606) 4.625 7.538 ( 3.751 0.000 -1.295) 3.969 7.705 ( -3.049 -0.000 -6.211) 6.919 7.840 ( 0.508 0.000 -11.388) 11.399 8.108 ( 5.841 0.000 0.172) 5.843 8.408 ( -0.074 -0.000 -1.257) 1.259 8.573 ( 5.096 0.000 -5.297) 7.351 8.737 ( -3.620 -0.000 4.024) 5.413 8.880 ( -1.279 -0.000 4.571) 4.747 9.175 ( -0.908 -0.000 7.651) 7.705 9.485 ( 12.276 0.000 -6.212) 13.759 10.214 ( -1.100 -0.000 -3.474) 3.644 10.607 ( -6.686 -0.000 -7.632) 10.146 10.873 ( 0.024 0.000 6.841) 6.841 10.925 ( 4.362 0.000 -4.455) 6.235 11.573 ( -0.607 -0.000 2.452) 2.526 11.912 ( -12.550 -0.000 -8.872) 15.369 12.383 ( 8.167 0.000 21.421) 22.925 12.736 ( 4.456 0.000 4.232) 6.145 12.753 ( 2.436 0.000 -0.075) 2.437 13.104 ( -5.532 -0.000 8.462) 10.109 13.282 ( -3.441 -0.000 -7.219) 7.997 13.522 ( -0.124 -0.000 -5.740) 5.741 13.737 ( -0.020 -0.000 2.226) 2.226 13.836 ( -2.391 -0.000 12.153) 12.386 14.227 ( -0.503 -0.000 1.780) 1.850 14.259 ( 4.117 0.000 -4.223) 5.897 15.264 ( -2.137 -0.000 -19.922) 20.037 15.474 ( -0.096 -0.000 -23.225) 23.225 16.953 ( 30.912 0.000 -1.012) 30.928 16.972 ( 24.434 0.000 8.961) 26.025 17.177 ( 21.597 0.000 4.560) 22.073 17.554 ( 6.281 0.000 -6.473) 9.019 17.637 ( -12.590 -0.000 -6.955) 14.384 17.922 ( -0.863 -0.000 -0.276) 0.906 18.431 ( -6.612 -0.000 6.588) 9.333 18.595 ( 0.963 0.000 2.123) 2.331 19.215 ( 4.798 0.000 4.894) 6.854 19.443 ( -3.863 -0.000 -5.421) 6.657 19.864 ( -9.189 -0.000 8.642) 12.614 19.943 ( 1.875 0.000 -0.514) 1.944 20.117 ( 14.276 0.000 -14.322) 20.222 20.301 ( -12.846 -0.000 1.205) 12.902 21.351 ( 4.633 0.000 7.826) 9.095 21.500 ( -3.214 -0.000 5.202) 6.115 ======================= Grid point 250 (122/172) ======================= q-point: ( 0.50 0.40 -0.67) 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 13.331 1.207 -4.372) 14.081 2.042 ( 12.166 -6.405 -1.706) 13.854 2.416 ( -2.043 -0.461 -7.765) 8.042 2.508 ( -6.269 -3.009 -10.029) 12.204 2.758 ( 8.700 -4.572 -3.475) 10.425 2.967 ( -16.420 -0.610 -6.728) 17.756 3.249 ( 1.057 1.979 2.127) 3.092 3.344 ( 6.640 -3.001 1.881) 7.526 3.548 ( 1.828 4.782 3.902) 6.437 3.803 ( -2.546 -0.923 3.092) 4.110 3.915 ( -1.395 -3.763 -0.063) 4.014 3.949 ( -7.756 -1.790 1.570) 8.113 4.707 ( 1.328 8.583 5.949) 10.528 4.789 ( 13.808 3.306 -5.615) 15.268 5.073 ( -1.694 0.555 -0.569) 1.871 5.138 ( 3.608 -0.248 -4.292) 5.612 5.541 ( 2.702 -1.671 1.317) 3.439 5.577 ( -8.359 -2.391 5.209) 10.136 5.799 ( -3.854 0.555 -6.217) 7.335 6.013 ( -4.573 0.801 -10.734) 11.695 6.428 ( 15.877 0.872 9.219) 18.380 6.475 ( 6.069 -0.091 4.071) 7.308 6.608 ( 0.528 3.603 8.655) 9.390 6.716 ( -4.269 -0.418 5.538) 7.005 6.778 ( -2.421 -2.256 3.773) 5.018 7.245 ( -5.984 1.777 3.652) 7.232 7.342 ( -0.908 1.466 3.194) 3.630 7.481 ( -4.581 0.907 -0.462) 4.693 7.633 ( 2.975 -5.545 9.112) 11.073 7.706 ( 2.616 -1.395 -4.176) 5.121 7.824 ( 4.240 -0.485 -8.800) 9.780 8.180 ( 4.172 -3.748 -2.230) 6.035 8.394 ( -1.317 0.583 -0.912) 1.705 8.582 ( 2.229 -0.289 -5.828) 6.246 8.721 ( -2.402 1.067 4.919) 5.577 8.873 ( -2.157 0.375 1.536) 2.675 9.206 ( -1.288 -0.776 8.473) 8.606 9.551 ( 10.231 0.710 -5.914) 11.839 10.175 ( -3.066 1.254 -1.331) 3.570 10.519 ( -5.148 0.114 -8.973) 10.346 10.888 ( -3.051 -0.008 4.534) 5.465 10.944 ( 4.670 0.410 -3.323) 5.747 11.574 ( -0.480 0.496 2.917) 2.997 11.801 ( -10.066 -1.909 -6.798) 12.296 12.473 ( 3.585 2.641 11.616) 12.441 12.659 ( 3.880 9.126 7.905) 12.681 12.848 ( 4.947 0.240 3.797) 6.241 13.085 ( -4.191 1.245 5.538) 7.055 13.246 ( -1.071 -1.490 -2.287) 2.932 13.489 ( -0.446 0.821 -6.173) 6.244 13.713 ( -1.028 2.775 3.889) 4.887 13.867 ( 2.388 1.692 6.469) 7.100 14.227 ( -1.897 -4.106 2.779) 5.308 14.365 ( 1.802 -6.046 -1.015) 6.390 15.165 ( 0.024 0.961 -19.589) 19.612 15.394 ( -1.727 -2.503 -24.420) 24.608 17.008 ( 28.401 12.072 1.004) 30.876 17.112 ( 2.276 1.599 9.457) 9.857 17.405 ( -16.002 9.113 -3.454) 18.736 17.544 ( 3.663 2.737 -5.709) 7.314 17.564 ( 30.341 -8.478 1.634) 31.545 17.941 ( -10.144 -5.695 -1.981) 11.801 18.408 ( 0.738 0.783 4.675) 4.797 18.579 ( -4.499 0.516 0.565) 4.564 19.166 ( -2.306 8.350 6.319) 10.723 19.391 ( 0.311 1.288 -6.300) 6.437 19.884 ( -3.529 -4.264 5.981) 8.149 19.967 ( 0.724 -1.718 -0.919) 2.079 20.141 ( -1.755 0.880 -1.367) 2.392 20.286 ( 1.747 -5.714 -7.597) 9.665 21.374 ( 5.037 4.762 6.869) 9.759 21.459 ( -3.302 4.306 4.929) 7.331 ======================= Grid point 251 (123/172) ======================= q-point: (-0.40 -0.60 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 10.779 2.059 -2.313) 11.215 2.197 ( -6.257 -3.946 -2.279) 7.740 2.334 ( -8.726 -5.684 -0.624) 10.433 2.594 ( 11.463 -5.151 -13.712) 18.599 2.841 ( -12.636 -2.815 -5.619) 14.113 2.935 ( 7.469 -7.622 -3.743) 11.309 3.216 ( -4.109 1.450 5.399) 6.938 3.383 ( 0.153 1.630 -5.559) 5.795 3.599 ( 11.150 -2.548 9.816) 15.072 3.790 ( -3.343 1.577 2.338) 4.374 3.900 ( -7.786 1.549 5.630) 9.732 3.965 ( -2.075 -2.718 -3.770) 5.090 4.572 ( -2.075 6.527 5.504) 8.787 4.776 ( 9.116 5.533 -7.896) 13.269 5.059 ( -2.197 -0.430 0.634) 2.326 5.153 ( 4.454 0.514 -3.336) 5.589 5.458 ( -2.666 6.233 3.692) 7.720 5.691 ( -0.466 -3.355 1.332) 3.640 5.750 ( -0.487 -2.791 -3.972) 4.879 5.947 ( -3.087 -1.989 -9.000) 9.721 6.505 ( 7.641 7.492 13.819) 17.478 6.542 ( 0.888 0.118 5.827) 5.896 6.633 ( 7.553 0.881 6.894) 10.264 6.672 ( -6.961 -1.239 -0.220) 7.074 6.798 ( -2.527 -2.151 1.160) 3.516 7.109 ( -9.227 3.597 -8.560) 13.090 7.400 ( 3.961 -1.937 7.023) 8.293 7.459 ( -1.524 -0.522 4.419) 4.703 7.725 ( 1.505 -0.445 -3.799) 4.110 7.805 ( 4.212 -5.368 9.284) 11.522 7.843 ( 3.847 -0.901 -4.821) 6.233 8.259 ( 0.915 -3.805 -9.596) 10.363 8.368 ( -2.686 0.318 4.076) 4.892 8.581 ( 0.833 -1.074 -5.959) 6.112 8.705 ( -1.725 1.133 6.075) 6.416 8.852 ( -0.210 0.791 -1.120) 1.387 9.242 ( -2.087 -0.906 7.889) 8.211 9.559 ( 6.035 3.657 -5.348) 8.854 10.116 ( -5.021 1.921 2.792) 6.058 10.463 ( -0.762 -0.839 -9.544) 9.611 10.851 ( -7.326 0.816 2.296) 7.720 10.957 ( 4.556 1.062 -2.393) 5.255 11.588 ( 1.348 -0.488 4.514) 4.737 11.757 ( -6.650 -2.899 -5.081) 8.857 12.460 ( 3.331 5.649 5.200) 8.370 12.541 ( 0.134 9.198 7.407) 11.811 12.844 ( 2.874 5.503 6.139) 8.731 13.045 ( -0.378 2.546 1.790) 3.136 13.294 ( 0.442 -3.418 0.997) 3.588 13.441 ( -0.536 1.348 -6.371) 6.534 13.672 ( -0.957 2.429 4.287) 5.019 13.861 ( 4.227 2.554 -0.705) 4.988 14.354 ( -2.475 -7.998 6.284) 10.468 14.464 ( -1.232 -5.404 1.313) 5.696 15.089 ( 2.198 0.168 -15.772) 15.926 15.346 ( -2.307 -4.983 -22.687) 23.342 16.940 ( -8.062 14.296 0.833) 16.434 17.025 ( 9.387 14.457 -2.774) 17.459 17.174 ( -1.909 1.379 10.516) 10.776 17.489 ( 4.055 3.976 -4.679) 7.358 17.848 ( 4.681 -4.295 0.345) 6.363 17.918 ( -9.918 -3.491 -2.078) 10.718 18.496 ( 13.403 -1.940 3.441) 13.973 18.518 ( -6.930 0.997 0.998) 7.072 18.982 ( -13.055 7.540 5.778) 16.145 19.338 ( 10.348 5.812 -10.284) 15.704 19.946 ( -2.528 -1.835 2.165) 3.800 20.026 ( 1.760 -4.759 -0.492) 5.098 20.136 ( -6.808 -4.811 6.533) 10.591 20.388 ( 6.025 -4.717 -8.013) 11.080 21.311 ( -2.765 8.469 6.006) 10.744 21.351 ( 3.900 7.365 3.055) 8.877 ======================= Grid point 252 (124/172) ======================= q-point: (-0.30 -0.60 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 3.947 -1.141 0.569) 4.148 2.152 ( -13.144 -2.438 -1.919) 13.505 2.382 ( -3.321 -4.021 -1.366) 5.392 2.723 ( 10.213 -3.617 -10.801) 15.299 2.787 ( -12.781 -5.055 -3.899) 14.287 3.084 ( 6.345 1.130 -1.725) 6.671 3.193 ( -5.646 -4.209 4.110) 8.154 3.358 ( -1.234 -2.916 -4.865) 5.805 3.662 ( 0.943 8.335 7.949) 11.557 3.784 ( -5.739 7.613 3.983) 10.333 3.854 ( 11.481 -7.283 4.112) 14.204 3.963 ( -4.555 -2.508 -4.048) 6.590 4.526 ( -0.036 0.338 4.466) 4.479 4.700 ( 3.461 4.189 -7.462) 9.231 5.041 ( -4.159 -0.039 -0.130) 4.162 5.158 ( 5.142 3.542 2.094) 6.586 5.381 ( 0.871 1.782 4.428) 4.852 5.660 ( -0.404 0.967 -8.913) 8.975 5.844 ( -3.093 -5.608 1.449) 6.566 5.976 ( 2.070 -4.355 -3.688) 6.071 6.423 ( -3.881 6.586 4.951) 9.108 6.504 ( 0.869 5.241 5.400) 7.575 6.652 ( -2.088 1.431 5.218) 5.799 6.739 ( 6.321 -2.098 0.930) 6.725 6.821 ( -0.849 0.216 2.488) 2.638 6.959 ( -6.349 0.012 -8.796) 10.848 7.450 ( -2.736 -0.603 5.453) 6.131 7.538 ( 7.671 -2.247 5.480) 9.692 7.720 ( 1.064 0.472 -3.346) 3.542 7.834 ( 2.750 1.137 -8.653) 9.151 7.974 ( 3.062 -4.366 11.577) 12.746 8.237 ( -3.648 -0.712 -7.493) 8.365 8.376 ( -4.090 -1.146 2.510) 4.934 8.586 ( -0.715 -1.740 -5.430) 5.747 8.701 ( -2.020 0.312 4.410) 4.860 8.844 ( 3.630 0.595 -1.808) 4.099 9.250 ( -4.713 0.633 5.647) 7.382 9.493 ( 5.862 6.191 -2.613) 8.917 10.055 ( -6.790 1.593 7.048) 9.915 10.459 ( 3.114 -1.777 -9.979) 10.604 10.773 ( -8.830 1.282 2.750) 9.337 10.959 ( 4.074 1.685 -1.944) 4.818 11.653 ( 3.730 -1.985 6.134) 7.448 11.737 ( -5.836 -2.421 -4.797) 7.933 12.341 ( -1.814 10.160 5.403) 11.649 12.447 ( 3.472 5.163 0.796) 6.273 12.780 ( 1.468 6.262 8.184) 10.409 12.988 ( -0.443 4.442 -1.741) 4.792 13.357 ( 0.779 -3.043 -1.056) 3.314 13.380 ( -0.941 1.797 -5.847) 6.189 13.661 ( -1.238 -0.226 4.862) 5.022 13.860 ( 4.260 0.060 -4.474) 6.178 14.433 ( -3.309 -1.564 4.791) 6.029 14.589 ( -0.620 -7.791 2.078) 8.087 15.086 ( 3.681 -2.454 -5.704) 7.219 15.361 ( -0.700 -7.132 -17.793) 19.182 16.458 ( -29.786 16.017 -0.286) 33.820 16.918 ( 22.802 15.720 -1.953) 27.764 17.168 ( -4.408 2.709 8.212) 9.706 17.448 ( 6.327 3.488 -3.606) 8.074 17.800 ( -23.071 -5.005 -1.290) 23.643 17.930 ( 3.589 3.087 3.874) 6.117 18.434 ( -7.813 1.608 1.379) 8.095 18.671 ( 10.513 -1.107 -3.602) 11.168 18.755 ( -15.809 3.489 5.551) 17.115 19.293 ( 17.158 6.506 -10.629) 21.206 19.953 ( -3.666 -1.143 4.377) 5.823 20.103 ( 4.054 -1.311 -1.641) 4.565 20.257 ( -5.051 -9.970 5.218) 12.335 20.481 ( 4.887 -3.843 -4.013) 7.400 21.125 ( -6.201 8.984 3.773) 11.550 21.263 ( 6.120 9.209 1.679) 11.184 ======================= Grid point 253 (125/172) ======================= q-point: (-0.20 -0.60 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -19.601 3.679 -6.083) 20.850 2.162 ( 3.399 -3.397 4.332) 6.470 2.467 ( 0.495 -6.525 4.518) 7.952 2.732 ( -9.206 -0.649 -7.082) 11.633 2.792 ( 2.488 -2.030 -9.145) 9.692 3.001 ( -0.141 6.046 2.590) 6.579 3.222 ( -3.788 1.796 0.842) 4.276 3.391 ( 1.779 0.906 -2.809) 3.446 3.571 ( -6.036 3.516 1.793) 7.212 3.665 ( 5.833 1.296 6.432) 8.779 3.957 ( -4.569 -2.723 -4.236) 6.799 4.107 ( 11.804 -7.373 4.808) 14.724 4.564 ( 1.595 -1.100 4.034) 4.476 4.661 ( 2.558 0.358 -2.767) 3.785 5.001 ( -3.686 -0.086 -1.605) 4.021 5.141 ( 3.416 3.484 8.558) 9.851 5.431 ( 2.448 -2.943 1.123) 3.989 5.597 ( -2.548 0.828 -9.998) 10.351 5.905 ( -3.784 -4.826 0.067) 6.133 6.059 ( 2.977 -2.613 -1.301) 4.169 6.309 ( -2.378 3.531 -1.015) 4.377 6.420 ( 4.580 8.776 0.396) 9.907 6.568 ( -9.403 3.457 1.440) 10.122 6.748 ( -3.966 -0.289 -0.538) 4.013 6.876 ( 6.850 -0.733 6.986) 9.811 6.950 ( 2.984 -1.338 -3.045) 4.468 7.441 ( -1.985 1.706 4.408) 5.127 7.646 ( 1.651 -2.553 -0.896) 3.170 7.700 ( -0.827 0.551 -0.920) 1.354 7.780 ( 4.248 2.758 -9.321) 10.608 8.108 ( 4.979 -2.318 10.521) 11.868 8.205 ( -3.740 -1.707 -4.068) 5.784 8.340 ( -6.648 0.899 1.667) 6.913 8.556 ( -8.693 -0.375 -4.041) 9.593 8.696 ( 1.217 0.262 -0.037) 1.246 8.876 ( 5.297 -0.176 -0.938) 5.382 9.190 ( -4.510 2.511 2.119) 5.579 9.450 ( 8.931 5.696 2.898) 10.982 10.013 ( -7.760 -0.075 9.209) 12.043 10.478 ( 2.424 -2.050 -11.498) 11.928 10.706 ( -5.361 1.215 5.999) 8.136 10.951 ( 3.477 1.781 -1.537) 4.198 11.709 ( -5.404 -1.942 -4.324) 7.188 11.754 ( 4.277 -2.270 6.559) 8.153 12.163 ( -4.632 8.340 3.353) 10.112 12.398 ( 5.838 4.161 -1.828) 7.399 12.730 ( 1.191 4.219 8.829) 9.857 12.852 ( -3.815 6.010 -9.034) 11.502 13.335 ( -1.109 0.316 -1.373) 1.793 13.408 ( 1.520 -2.289 -2.540) 3.742 13.687 ( -2.796 -2.585 2.776) 4.712 13.899 ( 5.194 -1.912 -3.606) 6.606 14.443 ( -2.960 -0.692 6.021) 6.745 14.683 ( 2.181 -1.885 -4.369) 5.234 15.188 ( 1.762 -5.119 6.232) 8.255 15.431 ( 2.235 -6.410 -11.130) 13.036 15.971 ( -24.350 12.074 -0.773) 27.190 16.812 ( 23.484 16.675 -1.704) 28.853 17.056 ( -11.296 5.218 4.644) 13.281 17.423 ( 4.051 2.593 -4.971) 6.917 17.703 ( -18.882 -3.821 0.956) 19.288 17.921 ( 2.956 2.578 7.906) 8.826 18.351 ( -7.930 1.482 2.329) 8.396 18.478 ( -16.865 3.925 -5.544) 18.182 18.832 ( 7.126 -1.679 -0.700) 7.354 19.310 ( 17.714 3.476 -8.217) 19.834 19.968 ( -2.429 -0.984 5.530) 6.119 20.130 ( 3.687 0.983 -1.925) 4.274 20.390 ( -4.387 -6.868 2.119) 8.421 20.579 ( 3.828 -4.170 0.236) 5.665 20.965 ( -4.497 4.922 2.712) 7.198 21.139 ( 3.874 9.210 -0.799) 10.024 ======================= Grid point 254 (126/172) ======================= q-point: (-0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -17.463 8.082 -4.088) 19.672 2.249 ( 0.731 -3.230 -4.961) 5.964 2.544 ( -2.820 6.868 -0.046) 7.425 2.627 ( 1.568 -1.071 4.438) 4.827 2.816 ( 0.136 -4.642 -5.596) 7.271 2.956 ( -0.407 3.217 -0.455) 3.274 3.130 ( 2.517 5.135 6.869) 8.938 3.311 ( 5.735 5.746 -4.834) 9.449 3.553 ( -7.578 -4.784 2.541) 9.315 3.766 ( 2.159 -3.148 4.466) 5.874 3.938 ( -4.051 -0.474 -3.922) 5.658 4.306 ( 6.905 -4.080 1.769) 8.213 4.598 ( 0.839 0.529 3.600) 3.734 4.691 ( 3.313 -0.817 -1.045) 3.569 4.993 ( -0.863 -2.084 -0.372) 2.286 5.205 ( 2.667 -4.153 12.446) 13.389 5.474 ( -1.288 2.540 1.996) 3.478 5.525 ( -2.382 -3.560 -13.427) 14.094 5.953 ( -3.857 -3.261 -0.040) 5.051 6.065 ( 1.520 5.282 -0.182) 5.499 6.259 ( -0.393 1.521 -3.736) 4.053 6.283 ( 1.594 3.848 -6.968) 8.118 6.456 ( -4.686 3.553 3.262) 6.725 6.733 ( -2.531 0.015 4.321) 5.008 6.941 ( 5.258 0.402 -0.287) 5.281 7.026 ( 9.738 -1.057 2.663) 10.151 7.390 ( -1.730 3.676 1.716) 4.410 7.590 ( -7.137 0.230 -9.449) 11.844 7.683 ( -1.756 2.564 2.261) 3.843 7.788 ( 6.158 -0.743 -3.583) 7.163 8.175 ( -2.195 -0.183 -5.096) 5.552 8.215 ( 0.713 -0.475 2.891) 3.015 8.276 ( -5.320 0.411 5.839) 7.909 8.458 ( -7.781 0.578 0.242) 7.806 8.714 ( 3.668 0.112 -1.358) 3.913 8.905 ( 2.984 0.728 -0.404) 3.098 9.143 ( -0.341 1.087 0.806) 1.395 9.439 ( 9.060 5.939 4.473) 11.720 10.015 ( -7.169 -3.114 8.841) 11.801 10.470 ( -1.156 -1.874 -10.978) 11.197 10.704 ( 1.528 0.612 8.166) 8.330 10.945 ( 2.534 1.016 -0.990) 2.904 11.694 ( -2.971 -2.251 -3.615) 5.192 11.821 ( 1.454 1.387 3.767) 4.269 12.029 ( -3.476 3.280 4.427) 6.514 12.395 ( 6.887 0.444 -3.773) 7.866 12.665 ( -6.887 3.015 -11.321) 13.590 12.738 ( 2.347 1.811 7.868) 8.408 13.332 ( -1.058 -0.477 1.895) 2.222 13.439 ( 1.064 -1.376 -3.549) 3.952 13.726 ( -3.204 -3.546 0.691) 4.829 13.966 ( 4.462 -1.733 -1.322) 4.966 14.465 ( -1.775 -0.692 6.938) 7.195 14.653 ( 2.159 4.426 -6.106) 7.845 15.253 ( -4.945 -0.111 4.373) 6.602 15.531 ( 4.188 -3.976 -4.239) 7.164 15.726 ( -4.682 0.104 1.503) 4.918 16.691 ( 19.364 16.415 -0.936) 25.402 16.881 ( -6.201 6.187 1.128) 8.832 17.386 ( -2.578 -0.712 -6.037) 6.602 17.647 ( -9.094 -2.129 1.877) 9.527 17.946 ( 3.171 2.277 8.117) 9.007 18.249 ( -9.908 1.576 0.091) 10.033 18.342 ( -5.131 -0.453 0.785) 5.210 18.868 ( 1.765 0.027 -5.671) 5.940 19.375 ( 13.153 0.638 -6.092) 14.510 19.985 ( -0.870 0.150 5.105) 5.181 20.115 ( 2.932 2.484 -2.622) 4.652 20.439 ( -3.744 -2.064 1.228) 4.448 20.685 ( 3.222 -3.649 2.480) 5.463 20.890 ( -2.257 3.250 3.031) 4.984 21.035 ( 0.671 1.877 -3.378) 3.922 ======================= Grid point 260 (127/172) ======================= q-point: (-0.50 -0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 9.026 0.000 0.046) 9.026 2.100 ( 14.345 0.000 0.312) 14.349 2.241 ( -23.659 -0.000 -9.008) 25.316 2.423 ( 0.564 0.000 -12.356) 12.369 2.792 ( 10.617 0.000 -2.639) 10.940 2.811 ( -10.189 -0.000 -8.222) 13.093 3.236 ( -8.470 -0.000 5.915) 10.331 3.411 ( 12.094 0.000 -3.987) 12.735 3.622 ( -0.973 -0.000 6.060) 6.137 3.818 ( 2.396 0.000 7.295) 7.678 3.823 ( -4.576 -0.000 -6.713) 8.124 3.883 ( -7.361 -0.000 4.455) 8.604 4.822 ( -2.379 -0.000 1.602) 2.868 4.903 ( 12.079 0.000 -4.707) 12.963 5.066 ( -1.419 -0.000 -0.626) 1.551 5.144 ( 3.143 0.000 -4.457) 5.454 5.529 ( 2.557 0.000 7.623) 8.041 5.556 ( -0.481 -0.000 3.174) 3.210 5.758 ( -2.332 -0.000 -4.990) 5.508 5.938 ( -5.078 -0.000 -11.209) 12.305 6.518 ( 3.732 0.000 6.414) 7.420 6.599 ( -7.858 -0.000 1.686) 8.036 6.603 ( 14.422 0.000 7.212) 16.125 6.739 ( -7.815 -0.000 4.113) 8.832 6.773 ( 1.203 0.000 11.673) 11.735 7.278 ( -2.007 -0.000 9.113) 9.331 7.283 ( -5.254 -0.000 -10.676) 11.899 7.504 ( -3.432 -0.000 1.787) 3.869 7.554 ( 1.122 0.000 5.662) 5.772 7.763 ( 8.329 0.000 1.767) 8.515 7.827 ( 5.472 0.000 -7.150) 9.004 8.152 ( 1.340 0.000 -5.124) 5.296 8.386 ( -1.620 -0.000 0.133) 1.625 8.551 ( -2.932 -0.000 -5.632) 6.349 8.750 ( 0.577 0.000 6.378) 6.404 8.865 ( -1.326 -0.000 0.388) 1.382 9.215 ( -3.001 -0.000 9.023) 9.509 9.622 ( 11.360 0.000 -8.644) 14.275 10.156 ( -4.068 -0.000 1.112) 4.217 10.436 ( -5.339 -0.000 -9.029) 10.489 10.869 ( -6.049 -0.000 3.310) 6.896 10.978 ( 5.370 0.000 -2.470) 5.911 11.589 ( 0.116 0.000 3.000) 3.003 11.690 ( -7.111 -0.000 -3.274) 7.828 12.556 ( 1.360 0.000 8.113) 8.226 12.757 ( -0.609 -0.000 -2.745) 2.812 12.954 ( 8.918 0.000 11.907) 14.876 13.081 ( -4.613 -0.000 6.658) 8.100 13.216 ( -0.417 -0.000 -0.837) 0.935 13.475 ( 0.183 0.000 -6.442) 6.445 13.767 ( 0.297 0.000 7.415) 7.421 13.905 ( -1.086 -0.000 10.948) 11.002 14.208 ( -2.561 -0.000 -0.348) 2.584 14.305 ( 4.903 0.000 -3.650) 6.112 15.106 ( 1.411 0.000 -17.513) 17.570 15.254 ( -1.700 -0.000 -26.821) 26.875 17.158 ( 0.436 0.000 10.658) 10.667 17.311 ( 12.792 0.000 -1.169) 12.845 17.337 ( -20.994 -0.000 -0.974) 21.017 17.554 ( -3.699 -0.000 -4.922) 6.157 17.755 ( 32.542 0.000 1.101) 32.561 17.757 ( -16.278 -0.000 -3.511) 16.652 18.451 ( 6.230 0.000 3.759) 7.276 18.532 ( -6.257 -0.000 -1.703) 6.484 19.272 ( -3.384 -0.000 4.172) 5.372 19.337 ( -6.231 -0.000 1.350) 6.376 19.846 ( -1.322 -0.000 6.081) 6.223 19.945 ( -1.736 -0.000 -1.583) 2.349 20.130 ( -5.951 -0.000 -0.132) 5.952 20.250 ( 14.204 0.000 -11.008) 17.970 21.482 ( 4.204 0.000 6.662) 7.878 21.493 ( -2.601 -0.000 3.967) 4.744 ======================= Grid point 261 (128/172) ======================= q-point: (-0.40 -0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( -25.158 -1.878 -3.777) 25.509 2.137 ( 3.493 1.155 -1.073) 3.833 2.213 ( 3.649 -3.491 -9.010) 10.329 2.441 ( -4.437 -8.116 -1.297) 9.340 2.742 ( 2.955 0.626 -10.074) 10.518 2.895 ( 8.749 -3.433 -1.393) 9.502 3.198 ( -7.387 -0.613 6.608) 9.930 3.428 ( 1.621 3.699 -4.375) 5.954 3.663 ( 6.920 -1.825 6.044) 9.367 3.750 ( -6.068 -0.736 -4.017) 7.315 3.857 ( -6.655 -1.169 3.395) 7.562 3.915 ( 2.039 -3.008 5.371) 6.485 4.699 ( -6.089 7.644 1.989) 9.973 4.919 ( 7.451 4.999 -6.931) 11.338 5.054 ( -0.003 0.667 -0.898) 1.119 5.163 ( 3.675 -1.184 -4.021) 5.575 5.550 ( 1.169 2.552 7.052) 7.590 5.646 ( 4.535 -3.203 3.444) 6.534 5.725 ( 0.431 0.615 -2.629) 2.735 5.853 ( -3.871 -0.754 -10.616) 11.324 6.512 ( -11.558 0.833 1.786) 11.725 6.594 ( -1.515 -2.402 4.413) 5.248 6.660 ( -7.056 1.085 3.864) 8.117 6.731 ( 5.882 -0.383 5.640) 8.158 6.819 ( 5.758 1.792 12.957) 14.291 7.108 ( -4.901 6.734 -10.580) 13.465 7.363 ( -1.539 -4.003 6.024) 7.394 7.494 ( 3.916 0.074 2.810) 4.820 7.647 ( 0.077 -4.977 -0.171) 4.980 7.824 ( 5.211 -0.712 -4.688) 7.045 7.862 ( 5.297 -0.415 4.992) 7.290 8.152 ( -1.077 -2.860 -11.453) 11.854 8.370 ( -2.442 0.596 3.615) 4.403 8.506 ( -6.469 -1.856 -4.527) 8.111 8.768 ( 1.986 2.312 6.840) 7.488 8.863 ( 1.629 -0.041 -0.987) 1.905 9.230 ( -4.176 -0.876 8.138) 9.189 9.647 ( 8.886 2.266 -11.045) 14.356 10.122 ( -4.644 1.579 6.485) 8.131 10.381 ( -2.911 -1.888 -8.804) 9.463 10.814 ( -8.570 0.704 2.835) 9.055 11.006 ( 4.981 0.741 -1.859) 5.368 11.608 ( 1.303 -0.344 4.381) 4.584 11.658 ( -3.828 -1.766 -1.607) 4.512 12.573 ( 1.526 2.257 6.144) 6.721 12.677 ( -2.520 6.050 -2.271) 6.936 12.995 ( 2.266 4.939 9.643) 11.068 13.082 ( 0.821 0.678 1.831) 2.118 13.248 ( 0.541 -2.898 1.838) 3.474 13.435 ( -0.493 1.246 -6.687) 6.820 13.747 ( -0.054 4.679 8.574) 9.768 13.953 ( 2.111 1.833 3.237) 4.278 14.212 ( -2.751 -6.041 3.872) 7.684 14.379 ( 1.245 -4.208 -1.758) 4.727 15.061 ( 4.072 -0.033 -13.905) 14.490 15.159 ( -2.040 -3.073 -24.544) 24.820 16.987 ( -29.247 12.763 0.404) 31.912 17.196 ( -2.519 1.261 10.282) 10.661 17.351 ( 8.973 3.982 -1.652) 9.955 17.479 ( -17.134 -4.278 -1.343) 17.711 17.643 ( -8.112 0.414 -7.165) 10.831 17.977 ( 16.279 -0.013 -0.463) 16.285 18.471 ( -5.349 0.892 -0.722) 5.471 18.569 ( 12.760 -2.985 2.192) 13.286 19.061 ( -14.845 11.596 7.482) 20.269 19.407 ( 3.129 -3.706 -3.361) 5.901 19.895 ( -0.688 -3.057 3.632) 4.797 19.920 ( -6.509 -2.378 1.027) 7.005 20.113 ( 3.971 0.002 -0.626) 4.020 20.352 ( 10.677 -3.067 -7.938) 13.653 21.426 ( -4.367 6.128 3.256) 8.199 21.510 ( 5.132 3.578 4.683) 7.814 ======================= Grid point 262 (129/172) ======================= q-point: (-0.30 -0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -20.667 -5.644 -2.475) 21.566 2.134 ( -8.470 -3.941 0.369) 9.349 2.221 ( -3.115 -3.091 -12.862) 13.591 2.554 ( -9.617 -7.915 5.908) 13.785 2.759 ( 13.307 0.650 -9.771) 16.522 3.032 ( 4.594 -5.560 0.765) 7.253 3.194 ( -4.032 -0.438 7.458) 8.489 3.315 ( -4.579 3.918 -4.834) 7.725 3.710 ( -3.969 -1.396 -3.686) 5.593 3.810 ( -4.345 -0.615 4.278) 6.129 3.841 ( 5.468 -4.315 0.937) 7.028 3.974 ( 3.731 1.222 7.257) 8.251 4.562 ( -2.338 3.504 2.169) 4.738 4.810 ( 3.825 7.555 -8.881) 12.271 5.028 ( -0.949 1.405 -0.769) 1.861 5.217 ( 5.761 -1.928 -2.287) 6.491 5.500 ( 0.697 7.457 7.224) 10.405 5.655 ( 0.742 1.692 -6.767) 7.015 5.753 ( -0.582 -2.687 2.605) 3.788 5.888 ( 2.605 -5.811 -3.376) 7.208 6.372 ( -16.406 1.013 -0.695) 16.452 6.583 ( -6.521 -0.763 2.525) 7.034 6.665 ( -1.968 -0.292 5.573) 5.917 6.780 ( -0.277 -1.492 4.164) 4.432 6.877 ( 3.393 6.897 -2.377) 8.046 6.947 ( 5.412 1.873 3.369) 6.645 7.430 ( -1.876 -2.232 7.096) 7.672 7.561 ( 4.790 -1.978 -0.778) 5.241 7.693 ( -0.048 -1.434 -4.390) 4.618 7.836 ( 2.921 -0.145 -8.457) 8.948 7.970 ( 3.141 -3.561 10.710) 11.716 8.128 ( -4.240 -2.711 -13.076) 14.012 8.358 ( -3.471 0.426 5.356) 6.397 8.479 ( -8.239 -3.219 -2.781) 9.272 8.760 ( 3.273 3.013 3.537) 5.683 8.884 ( 4.195 0.358 -0.276) 4.220 9.232 ( -5.340 -0.291 5.456) 7.639 9.610 ( 6.376 3.291 -9.867) 12.200 10.076 ( -5.340 3.012 11.435) 12.975 10.379 ( -1.260 -3.148 -8.777) 9.409 10.747 ( -6.955 0.742 4.558) 8.348 11.015 ( 3.805 1.485 -1.768) 4.450 11.650 ( -2.628 -1.437 -1.175) 3.218 11.672 ( 2.717 -1.820 5.494) 6.394 12.499 ( -4.368 9.473 -1.027) 10.482 12.559 ( 2.445 3.568 3.759) 5.730 12.936 ( -0.233 6.321 9.049) 11.040 13.050 ( -0.215 3.899 -2.829) 4.822 13.310 ( 0.568 -2.659 -0.761) 2.823 13.377 ( -0.703 1.300 -5.348) 5.549 13.695 ( -1.302 3.588 5.443) 6.648 13.909 ( 3.807 3.105 -5.093) 7.076 14.362 ( -3.137 -6.705 6.233) 9.678 14.450 ( -1.522 -6.247 2.091) 6.761 15.071 ( 5.931 -1.789 -8.645) 10.635 15.165 ( 2.258 -7.028 -15.488) 17.157 16.471 ( -34.649 14.802 0.437) 37.681 17.157 ( -5.219 3.472 6.416) 8.970 17.311 ( 8.703 7.648 -3.961) 12.245 17.433 ( -30.944 -10.526 2.815) 32.807 17.544 ( 4.014 4.156 -6.394) 8.618 18.030 ( 4.914 2.546 1.744) 5.803 18.402 ( -5.010 2.223 0.443) 5.499 18.698 ( -3.591 4.177 -3.500) 6.527 18.785 ( -3.560 3.473 9.555) 10.772 19.452 ( 9.726 1.712 -7.984) 12.700 19.899 ( -5.441 -2.301 2.776) 6.527 20.020 ( -2.519 -8.434 1.749) 8.974 20.173 ( 6.856 -1.143 1.231) 7.059 20.453 ( 7.484 -2.944 -4.496) 9.213 21.246 ( -7.105 9.452 2.612) 12.109 21.472 ( 5.635 7.467 1.975) 9.561 ======================= Grid point 263 (130/172) ======================= q-point: (-0.20 -0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -19.780 -3.638 -6.877) 21.255 2.118 ( -10.121 -2.305 3.609) 10.989 2.270 ( -5.318 -12.629 -4.942) 14.567 2.614 ( -5.803 -4.584 2.164) 7.705 2.800 ( 7.187 2.078 -6.827) 10.128 3.102 ( -3.040 5.813 -0.985) 6.634 3.148 ( -2.882 -2.995 5.212) 6.666 3.311 ( -1.753 -6.532 1.138) 6.858 3.640 ( -5.039 5.171 -0.988) 7.287 3.788 ( 0.670 -1.973 -3.124) 3.755 3.880 ( -1.427 3.544 3.629) 5.269 4.117 ( 13.146 -5.427 5.082) 15.103 4.556 ( 1.433 -1.478 1.272) 2.420 4.706 ( 3.287 3.478 -3.896) 6.172 4.988 ( -0.959 1.509 -0.960) 2.029 5.280 ( 5.443 2.592 5.141) 7.923 5.398 ( -3.009 1.470 -2.990) 4.490 5.604 ( 2.423 3.343 -3.350) 5.317 5.805 ( -2.551 -3.238 2.572) 4.859 6.001 ( 2.261 -5.067 -1.823) 5.840 6.251 ( -10.966 -1.435 -2.484) 11.334 6.561 ( -3.665 0.034 2.446) 4.406 6.602 ( -4.915 6.283 -1.827) 8.184 6.745 ( 1.325 3.901 -2.807) 4.986 6.830 ( -1.779 -3.318 1.796) 4.171 7.044 ( 10.346 0.984 10.667) 14.892 7.464 ( -1.724 -0.080 5.724) 5.978 7.578 ( -4.250 -0.791 -10.546) 11.398 7.699 ( 2.431 -0.772 -1.824) 3.136 7.817 ( 2.916 1.117 -6.604) 7.305 8.077 ( -5.851 -4.055 -0.269) 7.123 8.120 ( 0.472 -4.036 -0.477) 4.091 8.330 ( -3.672 1.447 3.846) 5.511 8.446 ( -9.737 -1.874 -0.132) 9.917 8.755 ( 5.492 2.487 1.026) 6.116 8.909 ( 3.682 0.234 -0.825) 3.780 9.196 ( -4.065 1.178 1.994) 4.678 9.579 ( 4.755 1.892 -4.622) 6.895 10.024 ( -5.792 3.426 14.160) 15.678 10.379 ( -3.879 -2.946 -8.782) 10.043 10.730 ( -0.165 0.266 6.508) 6.515 11.000 ( 1.799 1.829 -2.039) 3.277 11.636 ( -2.694 -0.736 -1.975) 3.421 11.770 ( 3.817 -2.631 7.305) 8.651 12.281 ( -6.002 9.412 -0.996) 11.207 12.518 ( 3.465 4.828 0.950) 6.018 12.840 ( -4.600 6.107 -0.481) 7.661 12.910 ( -2.055 6.850 -2.819) 7.687 13.322 ( -0.201 -0.445 -1.030) 1.140 13.382 ( 1.617 -1.550 -0.851) 2.396 13.653 ( -2.222 0.688 1.158) 2.598 13.904 ( 5.105 -0.664 -4.400) 6.772 14.409 ( -4.426 -2.268 5.347) 7.302 14.602 ( 1.176 -7.571 0.437) 7.674 15.146 ( 3.381 -3.962 -1.755) 5.496 15.304 ( 8.131 -7.699 -4.918) 12.230 15.965 ( -28.947 11.541 0.027) 31.163 17.041 ( -12.972 3.900 3.396) 13.964 17.202 ( 9.734 10.165 -4.740) 14.850 17.327 ( -30.433 -6.676 -0.469) 31.160 17.542 ( 5.364 0.375 -1.838) 5.682 18.029 ( 3.092 2.368 7.066) 8.068 18.313 ( -7.565 2.617 1.136) 8.085 18.450 ( -11.438 6.846 0.506) 13.340 18.859 ( 5.388 -0.836 -1.752) 5.727 19.458 ( 10.830 2.982 -8.260) 13.943 19.924 ( -4.268 -3.050 4.544) 6.940 20.130 ( -0.630 -4.681 -2.923) 5.555 20.273 ( 4.346 -3.864 3.485) 6.780 20.545 ( 4.836 -3.177 -1.118) 5.893 21.037 ( -7.548 7.636 2.763) 11.086 21.351 ( 3.865 10.647 -0.975) 11.369 ======================= Grid point 264 (131/172) ======================= q-point: (-0.10 -0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -16.883 1.255 -8.139) 18.784 2.109 ( -10.290 -5.347 -3.778) 12.196 2.501 ( -0.391 -12.680 5.815) 13.956 2.634 ( 0.330 0.041 0.934) 0.992 2.745 ( -2.216 0.964 -5.612) 6.111 3.008 ( 0.067 2.780 1.405) 3.115 3.176 ( -2.440 -0.344 4.065) 4.754 3.405 ( 0.149 -0.655 0.781) 1.030 3.504 ( -2.870 2.755 -0.134) 3.981 3.814 ( 5.745 3.725 5.257) 8.633 3.845 ( -4.447 -4.092 -6.293) 8.725 4.311 ( 8.441 -3.507 1.934) 9.343 4.607 ( 1.356 -1.302 1.768) 2.580 4.704 ( 2.467 -0.404 0.653) 2.584 4.974 ( 1.788 -0.186 0.600) 1.895 5.235 ( -4.403 2.758 8.124) 9.643 5.410 ( 3.379 -3.170 -9.890) 10.922 5.540 ( 0.405 4.562 0.778) 4.645 5.850 ( -3.882 -3.567 2.112) 5.679 6.074 ( 0.327 -3.115 -2.989) 4.330 6.227 ( -3.586 -2.414 -2.073) 4.794 6.397 ( -0.152 10.440 -6.818) 12.470 6.531 ( -1.504 2.487 3.848) 4.822 6.717 ( -0.342 0.011 1.470) 1.509 6.897 ( 0.122 -4.686 -0.918) 4.776 7.149 ( 9.756 1.096 9.341) 13.552 7.429 ( -5.157 2.458 -3.384) 6.640 7.484 ( -6.472 -0.435 -7.773) 10.124 7.715 ( 0.772 0.961 -0.881) 1.515 7.806 ( 2.524 -0.011 -3.909) 4.653 8.069 ( -9.923 -3.288 -1.473) 10.557 8.160 ( -4.897 -1.704 -4.043) 6.575 8.303 ( -1.125 1.031 4.411) 4.668 8.425 ( -1.478 -1.581 5.005) 5.453 8.765 ( 5.075 1.850 0.390) 5.416 8.927 ( 1.977 -0.051 -1.014) 2.222 9.161 ( -0.700 0.939 0.586) 1.309 9.572 ( 2.476 1.424 -0.916) 2.999 9.983 ( -5.985 1.868 14.006) 15.345 10.359 ( -4.877 -3.026 -7.563) 9.494 10.777 ( 5.519 0.370 6.707) 8.694 10.968 ( -0.567 1.211 -2.058) 2.455 11.632 ( -0.324 -1.413 -1.058) 1.794 11.860 ( 1.479 -0.556 6.565) 6.752 12.087 ( -4.977 5.923 -0.817) 7.779 12.461 ( 3.789 3.863 -5.055) 7.405 12.630 ( -8.745 5.026 -12.507) 16.067 12.836 ( 0.782 3.938 8.475) 9.378 13.337 ( 0.662 -0.191 3.362) 3.432 13.410 ( 0.978 -1.162 -2.909) 3.282 13.652 ( -1.644 -2.083 -0.985) 2.830 13.965 ( 5.169 -2.263 -1.571) 5.858 14.441 ( -3.908 -2.309 6.102) 7.605 14.691 ( 3.023 -0.755 -4.438) 5.422 15.205 ( -4.054 -1.940 2.826) 5.308 15.462 ( 1.067 -4.565 -1.692) 4.984 15.711 ( -2.141 -0.209 2.765) 3.503 16.843 ( -15.780 4.786 -0.650) 16.503 17.109 ( 12.202 8.397 -2.847) 15.083 17.209 ( -22.879 -5.468 -1.233) 23.555 17.569 ( 1.551 -0.569 -0.898) 1.880 18.049 ( 2.537 2.332 7.577) 8.324 18.205 ( -8.117 1.638 1.549) 8.425 18.338 ( 1.496 1.977 2.355) 3.420 18.862 ( 0.246 0.943 -6.877) 6.946 19.461 ( 7.712 1.862 -6.695) 10.381 19.965 ( -3.186 -2.682 4.743) 6.312 20.153 ( -0.045 -0.099 -2.685) 2.687 20.376 ( 1.555 -3.038 1.457) 3.711 20.638 ( 2.049 -4.134 1.737) 4.930 20.910 ( -4.664 1.940 2.901) 5.825 21.166 ( 1.245 11.169 -3.010) 11.634 ======================= Grid point 271 (132/172) ======================= q-point: (-0.40 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -28.770 -0.000 -1.344) 28.802 1.983 ( -20.340 -0.000 -18.871) 27.746 2.234 ( 5.989 0.000 -3.639) 7.008 2.374 ( -4.663 -0.000 11.759) 12.650 2.783 ( 15.178 0.000 -11.260) 18.899 2.934 ( 7.509 0.000 2.051) 7.783 3.149 ( -8.742 -0.000 6.690) 11.008 3.466 ( -0.290 -0.000 -1.972) 1.993 3.649 ( -10.013 -0.000 -5.119) 11.246 3.714 ( 6.874 0.000 3.558) 7.740 3.799 ( -6.460 -0.000 1.273) 6.585 3.949 ( 5.001 0.000 7.951) 9.393 4.697 ( -10.159 -0.000 -1.272) 10.238 4.995 ( 5.331 0.000 -8.480) 10.017 5.062 ( 1.198 0.000 0.337) 1.245 5.156 ( 2.890 0.000 -4.277) 5.162 5.654 ( 6.692 0.000 3.206) 7.420 5.659 ( 5.706 0.000 7.041) 9.063 5.740 ( 2.131 0.000 1.913) 2.864 5.775 ( -3.785 -0.000 -11.292) 11.910 6.413 ( -15.685 -0.000 -0.835) 15.707 6.564 ( -11.586 -0.000 -0.752) 11.610 6.590 ( -2.435 -0.000 5.763) 6.256 6.771 ( 0.013 0.000 5.137) 5.137 6.961 ( 8.085 0.000 16.936) 18.767 7.090 ( -5.617 -0.000 -14.055) 15.136 7.352 ( 0.766 0.000 10.945) 10.972 7.524 ( 4.171 0.000 -2.229) 4.729 7.624 ( 4.066 0.000 1.698) 4.406 7.818 ( 2.437 0.000 -9.938) 10.233 7.925 ( 3.392 0.000 8.102) 8.783 8.061 ( -1.931 -0.000 -15.138) 15.261 8.375 ( -2.363 -0.000 4.592) 5.164 8.402 ( -10.382 -0.000 -1.537) 10.495 8.852 ( 4.483 0.000 7.431) 8.679 8.867 ( 2.717 0.000 -2.655) 3.799 9.216 ( -4.866 -0.000 7.081) 8.592 9.671 ( 5.851 0.000 -17.174) 18.143 10.156 ( -1.055 -0.000 13.551) 13.592 10.301 ( -3.346 -0.000 -7.210) 7.949 10.757 ( -9.683 -0.000 3.432) 10.273 11.042 ( 4.039 0.000 -1.994) 4.504 11.621 ( -1.284 -0.000 0.391) 1.342 11.639 ( 2.457 0.000 5.518) 6.040 12.618 ( -0.114 -0.000 5.769) 5.770 12.699 ( -2.305 -0.000 -4.399) 4.966 13.073 ( -1.311 -0.000 2.364) 2.703 13.124 ( 4.760 0.000 3.602) 5.969 13.226 ( -0.938 -0.000 3.662) 3.780 13.414 ( -1.290 -0.000 -6.713) 6.836 13.881 ( 2.101 0.000 13.382) 13.546 13.953 ( -1.583 -0.000 4.623) 4.887 14.144 ( -4.271 -0.000 -1.107) 4.412 14.349 ( 4.674 0.000 -4.881) 6.758 15.022 ( -1.468 -0.000 -21.708) 21.758 15.044 ( 4.749 0.000 -9.354) 10.491 16.912 ( -30.429 -0.000 1.048) 30.447 17.055 ( -44.178 -0.000 2.840) 44.269 17.228 ( -3.539 -0.000 9.585) 10.218 17.433 ( 2.151 0.000 -6.577) 6.920 17.644 ( 3.712 0.000 -6.682) 7.644 18.072 ( 6.123 0.000 -5.001) 7.906 18.491 ( 4.299 0.000 2.426) 4.936 18.634 ( 11.166 0.000 0.571) 11.180 19.163 ( -14.712 -0.000 6.853) 16.230 19.260 ( -6.016 -0.000 2.741) 6.611 19.855 ( -5.904 -0.000 -0.985) 5.986 19.884 ( 0.565 0.000 3.398) 3.444 20.162 ( 9.854 0.000 -3.479) 10.450 20.388 ( 10.916 0.000 -6.038) 12.475 21.469 ( -2.796 -0.000 0.756) 2.896 21.590 ( 3.574 0.000 4.605) 5.829 ======================= Grid point 272 (133/172) ======================= q-point: (-0.30 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -25.260 -6.238 2.637) 26.152 1.788 ( -24.625 -7.690 -15.431) 30.060 2.208 ( -3.837 2.684 -3.551) 5.877 2.401 ( -8.990 -5.364 6.549) 12.349 2.878 ( 17.957 1.675 -6.524) 19.178 3.021 ( 5.013 -1.869 5.552) 7.710 3.126 ( -7.792 -3.081 3.663) 9.145 3.370 ( -5.523 6.713 -0.344) 8.699 3.596 ( -6.370 -3.786 -3.925) 8.386 3.757 ( -7.902 -0.488 2.144) 8.202 3.829 ( 9.212 -4.251 0.416) 10.154 4.033 ( 4.500 -1.166 7.874) 9.144 4.591 ( -5.742 2.321 -1.277) 6.323 4.930 ( 3.492 6.207 -9.261) 11.682 5.060 ( 2.002 1.767 -1.481) 3.054 5.196 ( 4.068 -2.935 -3.793) 6.289 5.645 ( -3.181 5.921 -2.857) 7.303 5.686 ( 6.370 1.564 2.741) 7.109 5.766 ( 2.836 0.617 3.107) 4.252 5.807 ( 4.043 -5.053 0.774) 6.518 6.247 ( -18.375 1.549 -1.449) 18.497 6.496 ( -7.045 -1.434 -0.586) 7.213 6.599 ( -8.355 -2.928 3.288) 9.444 6.775 ( -2.033 0.756 4.734) 5.207 6.965 ( -2.486 2.966 -10.855) 11.524 7.086 ( 8.828 1.067 16.291) 18.560 7.416 ( -0.837 -1.520 10.351) 10.496 7.549 ( 2.636 -0.453 -5.546) 6.157 7.672 ( 3.774 -0.851 -2.768) 4.757 7.794 ( -0.551 -1.566 -10.375) 10.507 7.969 ( -2.685 -0.921 0.036) 2.839 8.006 ( -0.541 -2.158 -7.893) 8.200 8.339 ( -7.851 -1.708 2.446) 8.399 8.373 ( -4.245 -0.274 4.445) 6.153 8.856 ( 4.937 2.475 -0.440) 5.540 8.922 ( 4.213 -0.004 2.725) 5.018 9.203 ( -5.275 -0.361 4.736) 7.098 9.619 ( 1.620 0.655 -18.008) 18.092 10.179 ( 0.628 4.060 15.167) 15.714 10.282 ( -3.116 -2.310 -3.085) 4.956 10.707 ( -7.110 -1.101 5.247) 8.905 11.051 ( 2.222 0.836 -2.851) 3.710 11.621 ( -0.457 -0.275 0.180) 0.563 11.702 ( 4.266 -0.950 8.087) 9.192 12.597 ( -2.778 6.052 -3.331) 7.446 12.633 ( -0.452 1.675 4.792) 5.097 13.031 ( -2.564 3.361 -3.465) 5.466 13.119 ( 0.989 4.305 2.461) 5.057 13.267 ( -0.259 -2.634 2.636) 3.735 13.368 ( -1.350 0.596 -4.890) 5.107 13.813 ( -1.122 7.688 6.682) 10.248 13.959 ( 0.440 2.402 -6.170) 6.636 14.212 ( -2.948 -9.403 6.712) 11.923 14.381 ( 1.400 -1.753 -2.193) 3.138 14.978 ( 1.186 -3.818 -13.562) 14.139 15.100 ( 8.312 -3.662 -3.004) 9.567 16.425 ( -39.031 13.758 1.016) 41.397 16.917 ( -40.413 -13.560 1.907) 42.670 17.192 ( -8.556 3.167 6.889) 11.432 17.398 ( 1.066 2.049 -7.614) 7.956 17.633 ( 5.076 2.262 -3.472) 6.553 18.063 ( -1.374 -0.145 -3.942) 4.177 18.490 ( 5.284 5.679 2.993) 8.314 18.730 ( 2.785 0.955 -4.452) 5.337 18.880 ( -12.039 9.922 11.334) 19.283 19.391 ( -2.797 -9.984 -1.831) 10.529 19.818 ( -5.325 -1.471 0.512) 5.548 19.918 ( -0.422 -2.513 1.937) 3.201 20.241 ( 12.104 -0.071 -2.750) 12.413 20.462 ( 8.180 -1.483 -3.541) 9.036 21.363 ( -4.969 8.272 0.429) 9.659 21.613 ( 4.119 3.003 1.834) 5.417 ======================= Grid point 273 (134/172) ======================= q-point: (-0.20 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 304 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -20.614 -5.898 -1.005) 21.465 1.783 ( -21.290 -16.782 -3.882) 27.385 2.100 ( -9.838 -1.038 0.832) 9.927 2.467 ( -7.342 -7.512 1.348) 10.590 2.910 ( 7.581 5.092 -4.905) 10.367 3.081 ( -4.566 -1.979 -0.282) 4.985 3.176 ( -1.175 -2.357 2.305) 3.499 3.221 ( -2.311 2.420 7.904) 8.583 3.620 ( -2.057 -2.650 -6.794) 7.577 3.690 ( -8.211 -0.170 2.654) 8.631 3.960 ( 6.183 -0.916 -0.418) 6.264 4.146 ( 7.545 -3.936 7.610) 11.416 4.551 ( 0.812 -0.717 -1.419) 1.785 4.808 ( 4.620 6.585 -6.407) 10.284 5.032 ( 2.980 2.599 -1.033) 4.087 5.277 ( 4.464 -3.952 -6.033) 8.481 5.470 ( -5.735 7.859 -0.157) 9.730 5.710 ( 5.449 4.060 3.476) 7.632 5.786 ( -0.326 0.130 5.732) 5.743 5.923 ( 2.491 -4.790 -1.022) 5.495 6.108 ( -12.806 -2.216 -1.064) 13.040 6.476 ( -5.613 -2.363 -2.439) 6.560 6.592 ( -6.224 -2.667 1.216) 6.880 6.752 ( -3.311 1.493 4.132) 5.502 6.871 ( -0.169 3.250 -5.142) 6.086 7.194 ( 8.205 1.238 13.007) 15.428 7.460 ( -2.441 -0.689 6.823) 7.279 7.500 ( -3.753 1.765 -11.999) 12.695 7.687 ( 1.389 -1.267 -6.659) 6.920 7.786 ( -1.981 -2.353 -7.551) 8.154 7.942 ( -5.782 -2.824 -4.059) 7.609 8.047 ( -2.259 -3.190 0.370) 3.926 8.345 ( -1.073 -0.863 3.957) 4.190 8.353 ( -6.817 -0.933 5.196) 8.622 8.857 ( 6.735 2.587 -0.545) 7.235 8.939 ( 1.612 1.205 -0.508) 2.076 9.181 ( -3.917 -0.095 1.752) 4.292 9.555 ( -1.854 -0.982 -13.233) 13.399 10.160 ( 0.507 6.107 17.541) 18.581 10.263 ( -7.196 -1.722 -2.856) 7.931 10.742 ( 0.953 -2.623 6.651) 7.213 11.024 ( -0.325 1.583 -4.050) 4.360 11.620 ( 0.098 0.125 0.101) 0.189 11.799 ( 4.905 -1.455 10.009) 11.241 12.400 ( -5.526 10.431 -1.887) 11.954 12.612 ( 0.219 2.894 2.625) 3.914 12.844 ( -11.062 6.355 -17.746) 21.856 13.036 ( -0.152 6.540 6.854) 9.475 13.307 ( 0.008 -1.309 0.445) 1.382 13.368 ( 1.230 -1.495 1.498) 2.448 13.695 ( -1.927 5.335 1.238) 5.806 13.916 ( 3.781 0.259 -6.789) 7.776 14.337 ( -4.994 -4.080 4.989) 8.153 14.470 ( 1.785 -8.136 1.940) 8.553 15.062 ( 4.157 -6.290 -5.107) 9.106 15.271 ( 10.890 -5.714 2.081) 12.473 15.910 ( -32.106 10.314 0.326) 33.723 16.836 ( -38.483 -12.714 1.304) 40.550 17.017 ( -18.269 5.740 2.053) 19.259 17.331 ( 1.735 3.083 -6.306) 7.231 17.632 ( 6.086 2.253 -0.982) 6.563 18.047 ( -3.771 -1.353 -0.379) 4.024 18.411 ( 2.146 8.721 4.910) 10.236 18.514 ( -8.570 7.905 3.391) 12.142 18.870 ( 1.889 -0.608 -1.010) 2.227 19.489 ( 1.857 -3.254 -7.219) 8.133 19.835 ( -5.203 -4.164 3.423) 7.492 19.984 ( -2.663 -5.869 -0.546) 6.468 20.329 ( 10.932 0.135 -0.434) 10.942 20.537 ( 5.244 -1.851 -1.274) 5.705 21.140 ( -7.947 10.264 2.065) 13.144 21.544 ( 2.732 8.247 -1.595) 8.833 ======================= Grid point 274 (135/172) ======================= q-point: (-0.10 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -15.621 -3.125 -6.571) 17.233 1.855 ( -18.929 -10.080 1.479) 21.497 2.247 ( -0.588 -16.512 8.228) 18.458 2.552 ( -4.807 -7.722 -0.994) 9.150 2.776 ( -4.222 6.580 -7.483) 10.822 3.051 ( -0.801 1.270 0.675) 1.646 3.176 ( -1.752 -0.146 6.611) 6.841 3.328 ( -0.986 -6.241 5.741) 8.537 3.533 ( -4.383 3.537 -2.879) 6.325 3.713 ( -2.068 -3.614 -3.679) 5.556 3.961 ( 5.079 4.226 0.185) 6.609 4.321 ( 7.589 -4.252 3.248) 9.286 4.594 ( 2.406 -2.132 -1.031) 3.376 4.736 ( 2.520 2.951 -2.119) 4.421 5.028 ( 5.918 2.071 1.772) 6.515 5.252 ( -6.699 3.692 -5.920) 9.672 5.399 ( 4.831 -1.119 2.555) 5.578 5.647 ( -1.088 5.882 2.655) 6.544 5.805 ( -1.637 -0.730 6.317) 6.566 6.001 ( 1.233 -3.519 -2.792) 4.658 6.122 ( -3.125 -5.386 0.423) 6.242 6.476 ( -3.549 -3.113 -2.084) 5.160 6.550 ( 0.808 6.850 -4.558) 8.267 6.731 ( -1.014 -1.006 -2.020) 2.474 6.828 ( -2.489 -1.535 5.627) 6.342 7.261 ( 1.332 0.927 2.934) 3.352 7.359 ( -5.363 2.840 -8.874) 10.750 7.457 ( -2.225 0.398 1.698) 2.827 7.698 ( -0.410 -2.470 -6.024) 6.523 7.770 ( -5.444 -1.405 -2.935) 6.342 7.940 ( -5.644 -2.583 0.312) 6.215 8.072 ( -1.898 -2.729 -2.560) 4.196 8.315 ( -5.144 0.832 4.865) 7.129 8.410 ( 2.219 -2.733 5.503) 6.533 8.851 ( 3.396 3.322 -0.031) 4.751 8.931 ( 1.892 -0.369 -2.573) 3.216 9.163 ( -1.432 0.045 0.131) 1.439 9.518 ( -5.493 -2.744 -7.497) 9.691 10.099 ( -5.031 6.870 19.857) 21.605 10.240 ( -3.687 -2.920 -4.948) 6.827 10.839 ( 5.246 -1.714 6.070) 8.204 10.967 ( -1.614 1.483 -3.982) 4.545 11.628 ( 1.796 -0.262 0.772) 1.973 11.897 ( 3.315 -0.540 10.620) 11.138 12.152 ( -8.830 8.880 -2.360) 12.743 12.524 ( -3.172 5.769 -15.191) 16.556 12.595 ( -6.901 3.248 -5.548) 9.431 12.955 ( -0.151 5.658 7.647) 9.514 13.327 ( -1.748 -1.722 0.014) 2.454 13.419 ( 3.771 0.058 3.681) 5.270 13.629 ( -0.028 0.894 -1.062) 1.388 13.956 ( 5.150 -2.457 -3.168) 6.526 14.375 ( -5.112 -3.187 4.892) 7.760 14.636 ( 3.213 -6.494 -1.360) 7.372 15.159 ( -1.607 -1.672 1.442) 2.731 15.374 ( -6.668 -2.619 0.449) 7.178 15.702 ( 3.130 -2.554 2.760) 4.892 16.740 ( -24.388 -2.625 -0.681) 24.538 16.788 ( -29.786 -6.383 -0.201) 30.462 17.277 ( 2.958 3.105 -2.727) 5.082 17.633 ( 4.577 2.497 -0.090) 5.215 18.029 ( -7.294 -2.055 -1.285) 7.687 18.306 ( 4.808 7.698 8.455) 12.404 18.429 ( 4.565 2.879 4.290) 6.895 18.845 ( -2.528 1.287 -7.046) 7.596 19.492 ( 1.108 0.235 -7.960) 8.040 19.888 ( -4.468 -4.210 4.313) 7.503 20.058 ( -4.115 -5.800 -2.817) 7.649 20.405 ( 8.041 0.342 0.912) 8.100 20.601 ( 2.006 -2.295 0.480) 3.086 20.938 ( -7.685 5.674 4.458) 10.541 21.366 ( 0.486 11.494 -3.812) 12.119 ======================= Grid point 282 (136/172) ======================= q-point: (-0.30 -0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -26.343 -0.000 6.189) 27.060 1.453 ( -28.113 -0.000 -7.327) 29.052 2.192 ( -4.343 -0.000 -9.874) 10.787 2.248 ( -19.462 -0.000 8.577) 21.268 3.002 ( -4.146 -0.000 -7.217) 8.323 3.040 ( 9.319 0.000 1.235) 9.401 3.074 ( 2.708 0.000 10.632) 10.972 3.415 ( -5.496 -0.000 1.822) 5.790 3.477 ( -6.697 -0.000 1.374) 6.837 3.706 ( -5.114 -0.000 2.149) 5.547 3.858 ( 9.683 0.000 -2.761) 10.069 4.087 ( 4.868 0.000 5.862) 7.619 4.551 ( -4.731 -0.000 -3.207) 5.716 4.984 ( 5.116 0.000 -10.601) 11.771 5.100 ( 3.510 0.000 -1.135) 3.689 5.174 ( 3.190 0.000 -3.615) 4.821 5.634 ( -3.480 -0.000 -9.456) 10.076 5.781 ( 5.855 0.000 3.058) 6.605 5.805 ( 4.705 0.000 -0.069) 4.705 5.811 ( 0.110 0.000 11.073) 11.074 6.110 ( -17.378 -0.000 -1.612) 17.453 6.449 ( -1.398 -0.000 0.911) 1.669 6.500 ( -11.800 -0.000 2.542) 12.070 6.790 ( -2.328 -0.000 6.084) 6.514 6.890 ( -6.108 -0.000 -12.060) 13.519 7.214 ( 4.925 0.000 14.553) 15.364 7.447 ( -0.368 -0.000 11.924) 11.930 7.554 ( 2.766 0.000 -5.698) 6.334 7.671 ( 0.618 0.000 -7.370) 7.396 7.694 ( -7.961 -0.000 -10.971) 13.555 7.927 ( 3.772 0.000 -12.505) 13.061 7.964 ( -5.052 -0.000 3.241) 6.002 8.285 ( -4.238 -0.000 6.817) 8.027 8.362 ( -3.970 -0.000 4.186) 5.769 8.904 ( 4.638 0.000 -3.512) 5.818 8.976 ( 4.063 0.000 3.240) 5.197 9.172 ( -5.511 -0.000 3.094) 6.320 9.539 ( -2.194 -0.000 -20.584) 20.701 10.200 ( -4.006 -0.000 -4.218) 5.817 10.350 ( 6.819 0.000 20.822) 21.911 10.650 ( -7.929 -0.000 6.655) 10.352 11.056 ( 0.479 0.000 -4.501) 4.527 11.621 ( 0.432 0.000 0.205) 0.478 11.777 ( 6.354 0.000 11.527) 13.162 12.639 ( -0.947 -0.000 -2.135) 2.335 12.644 ( -1.642 -0.000 3.974) 4.300 12.989 ( -6.072 -0.000 -18.022) 19.018 13.202 ( 3.007 0.000 1.950) 3.584 13.252 ( -1.451 -0.000 12.030) 12.117 13.334 ( -2.509 -0.000 -5.079) 5.665 13.919 ( -1.343 -0.000 -4.646) 4.836 13.984 ( -0.351 -0.000 6.827) 6.836 14.065 ( -5.317 -0.000 1.234) 5.458 14.384 ( 4.803 0.000 -5.140) 7.034 14.924 ( 3.000 0.000 -3.172) 4.366 15.115 ( 7.117 0.000 1.180) 7.215 16.298 ( -47.896 -0.000 1.027) 47.907 16.395 ( -32.626 -0.000 1.854) 32.678 17.180 ( -10.808 -0.000 6.179) 12.449 17.384 ( -0.480 -0.000 -8.112) 8.126 17.674 ( 3.741 0.000 -1.889) 4.190 18.015 ( -3.669 -0.000 -4.745) 5.997 18.610 ( 4.758 0.000 1.629) 5.029 18.740 ( 2.920 0.000 -8.509) 8.996 18.959 ( -17.319 -0.000 10.546) 20.278 19.170 ( -7.188 -0.000 2.824) 7.723 19.773 ( -3.235 -0.000 -0.694) 3.308 19.904 ( -0.521 -0.000 1.144) 1.257 20.334 ( 13.745 0.000 -3.883) 14.283 20.501 ( 6.825 0.000 -1.750) 7.046 21.419 ( -2.205 -0.000 -2.477) 3.316 21.671 ( 3.523 0.000 1.225) 3.730 ======================= Grid point 283 (137/172) ======================= q-point: (-0.20 -0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -21.175 -5.541 9.459) 23.845 1.302 ( -23.090 -14.688 4.211) 27.688 2.013 ( -16.213 2.818 0.705) 16.471 2.236 ( -14.311 -8.640 -0.893) 16.741 2.894 ( -13.019 -2.021 -13.086) 18.569 3.073 ( 1.845 3.570 8.427) 9.336 3.177 ( 4.288 -2.133 7.247) 8.687 3.304 ( -5.052 5.508 4.834) 8.901 3.514 ( -0.647 -4.604 -4.486) 6.460 3.681 ( -1.592 1.585 6.853) 7.212 3.958 ( 8.585 -3.478 -5.772) 10.914 4.167 ( 5.088 -2.458 6.038) 8.270 4.523 ( -0.018 -1.237 -3.822) 4.017 4.940 ( 6.958 5.646 -8.540) 12.379 5.101 ( 4.831 1.798 -1.377) 5.335 5.224 ( 3.552 -3.029 -4.875) 6.749 5.528 ( -4.529 4.440 -5.348) 8.296 5.777 ( -8.350 1.190 1.948) 8.656 5.836 ( 3.581 0.800 4.676) 5.944 5.885 ( 4.114 -2.449 3.640) 6.014 5.995 ( -7.505 -0.077 2.977) 8.074 6.401 ( -7.174 -0.320 -2.086) 7.478 6.501 ( -1.095 -2.939 5.609) 6.426 6.778 ( -3.612 1.414 6.278) 7.379 6.822 ( -4.830 -2.062 -9.960) 11.260 7.283 ( 0.163 0.036 7.952) 7.953 7.464 ( -4.983 0.899 -0.755) 5.119 7.494 ( -1.523 3.094 -5.335) 6.352 7.598 ( -6.718 -1.933 -6.733) 9.706 7.675 ( -1.779 -3.182 -4.212) 5.570 7.897 ( -0.726 0.950 -1.028) 1.577 7.981 ( 0.086 -2.594 -1.471) 2.983 8.309 ( -2.607 -1.143 7.388) 7.918 8.345 ( -2.415 -0.543 2.870) 3.790 8.923 ( 4.870 0.438 -3.459) 5.989 8.980 ( 0.219 2.464 -1.105) 2.709 9.145 ( -4.273 -0.826 0.941) 4.452 9.442 ( -4.793 -1.205 -17.203) 17.899 10.161 ( -5.143 -1.182 -2.878) 6.011 10.392 ( 1.953 8.513 19.562) 21.424 10.703 ( 0.476 -5.794 8.339) 10.165 11.021 ( -1.182 1.115 -5.944) 6.162 11.626 ( 0.654 -0.058 -0.139) 0.671 11.884 ( 6.996 0.010 13.590) 15.285 12.552 ( -0.318 9.025 1.529) 9.159 12.642 ( -2.202 0.584 2.011) 3.039 12.748 ( -16.678 5.830 -27.422) 32.621 13.179 ( 1.360 5.570 7.214) 9.215 13.279 ( -1.732 -0.500 -1.328) 2.239 13.358 ( 1.823 -3.060 8.160) 8.904 13.809 ( -2.926 8.509 2.394) 9.311 13.917 ( 2.433 0.526 -7.438) 7.844 14.206 ( -3.420 -9.415 5.838) 11.594 14.405 ( 3.966 -1.527 -2.538) 4.950 15.000 ( 5.927 -3.937 3.429) 7.898 15.246 ( 5.608 -6.315 3.543) 9.158 15.814 ( -34.077 8.456 0.604) 35.116 16.307 ( -32.871 -12.426 2.182) 35.209 17.007 ( -18.983 8.719 2.521) 21.041 17.339 ( -0.374 0.619 -7.049) 7.086 17.691 ( 3.048 0.960 0.449) 3.227 17.975 ( -5.283 -0.911 -3.198) 6.242 18.583 ( -2.581 5.568 -2.995) 6.829 18.594 ( -3.735 7.024 1.637) 8.122 18.862 ( -4.498 0.015 3.081) 5.452 19.290 ( -6.926 -12.384 -1.888) 14.314 19.759 ( -2.533 -1.340 0.707) 2.952 19.910 ( -1.337 -1.324 -0.010) 1.882 20.424 ( 12.111 0.441 -2.502) 12.375 20.552 ( 4.675 -0.736 -0.238) 4.739 21.284 ( -4.183 10.608 -0.649) 11.422 21.665 ( 2.224 4.228 -2.412) 5.351 ======================= Grid point 284 (138/172) ======================= q-point: (-0.10 -0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -12.604 -5.134 3.927) 14.165 1.481 ( -19.995 -15.275 10.103) 27.115 2.006 ( -4.505 -12.673 10.741) 17.213 2.291 ( -14.882 -11.548 -1.540) 18.900 2.749 ( -10.264 0.600 -16.922) 19.801 3.060 ( -1.995 1.148 8.473) 8.781 3.198 ( -6.932 2.830 4.699) 8.840 3.263 ( -0.536 -2.404 7.794) 8.174 3.524 ( -0.422 -0.176 -7.697) 7.711 3.713 ( 6.175 0.882 7.402) 9.680 4.018 ( 3.891 -0.080 -5.718) 6.917 4.310 ( 6.596 -4.825 4.041) 9.117 4.561 ( 3.035 -2.719 -4.126) 5.799 4.841 ( 4.274 7.056 -6.340) 10.404 5.130 ( 8.525 1.277 1.433) 8.738 5.242 ( -0.260 1.678 -6.262) 6.489 5.428 ( -0.970 0.918 2.935) 3.224 5.670 ( -10.820 1.214 -1.653) 11.012 5.839 ( -0.971 0.926 5.893) 6.044 5.984 ( 5.426 -1.173 5.359) 7.716 6.021 ( -0.767 -3.796 2.891) 4.833 6.390 ( -0.897 -3.086 -3.367) 4.655 6.587 ( 3.419 -3.129 2.192) 5.127 6.724 ( -4.217 3.321 5.113) 7.413 6.784 ( -5.214 -1.405 -5.230) 7.517 7.223 ( -7.677 2.908 -12.066) 14.594 7.359 ( -8.661 1.422 -0.265) 8.781 7.445 ( -2.483 -1.911 -3.817) 4.938 7.604 ( -1.357 -2.789 0.151) 3.105 7.695 ( -2.653 -0.953 2.269) 3.619 7.888 ( -2.091 -1.101 0.913) 2.534 8.027 ( 2.457 -2.073 0.229) 3.223 8.294 ( -5.987 0.096 4.703) 7.614 8.403 ( 2.330 -2.697 4.262) 5.556 8.894 ( -4.747 2.543 -4.403) 6.956 8.948 ( 5.424 0.393 -3.269) 6.346 9.139 ( -2.155 -1.086 -0.365) 2.440 9.369 ( -8.552 -2.804 -10.426) 13.773 10.122 ( -8.545 -0.641 2.143) 8.832 10.315 ( 0.948 7.729 15.218) 17.094 10.837 ( 0.702 -3.308 3.779) 5.072 10.974 ( 2.126 0.543 -3.144) 3.834 11.637 ( 1.210 -0.532 -0.142) 1.329 11.987 ( 5.792 0.376 12.826) 14.078 12.249 ( -16.940 14.154 -4.338) 22.498 12.470 ( -5.959 3.950 -16.303) 17.802 12.609 ( -2.374 1.774 0.258) 2.975 13.096 ( -0.042 7.139 6.778) 9.844 13.276 ( -2.228 -1.345 -0.833) 2.733 13.471 ( 5.014 -1.673 9.126) 10.546 13.675 ( -0.309 4.677 -0.004) 4.687 13.937 ( 4.345 -2.089 -4.662) 6.706 14.299 ( -4.387 -3.126 5.083) 7.406 14.534 ( 5.861 -7.658 -1.007) 9.696 15.132 ( 0.845 -2.003 4.685) 5.165 15.264 ( -14.462 -0.261 0.540) 14.475 15.660 ( 0.252 -6.812 1.428) 6.964 16.311 ( -21.745 -12.153 3.954) 25.223 16.651 ( -25.472 7.501 -1.630) 26.604 17.308 ( -0.119 0.684 -2.795) 2.880 17.675 ( -3.064 1.519 0.797) 3.511 17.933 ( -5.479 -1.503 -1.569) 5.894 18.507 ( 4.010 2.410 7.721) 9.028 18.518 ( 4.201 4.002 -1.205) 5.926 18.809 ( -6.283 1.282 -4.863) 8.048 19.390 ( -6.086 -6.301 -7.550) 11.565 19.793 ( -2.705 -3.949 2.850) 5.571 19.934 ( -2.109 -3.444 -1.366) 4.264 20.490 ( 8.807 1.069 -0.648) 8.895 20.593 ( 1.838 -0.655 0.495) 2.013 21.036 ( -7.956 10.810 5.108) 14.361 21.532 ( -0.682 9.147 -5.103) 10.496 ======================= Grid point 293 (139/172) ======================= q-point: (-0.20 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -18.746 -0.000 18.218) 26.140 1.109 ( -16.964 -0.000 23.158) 28.707 1.926 ( -31.723 -0.000 17.072) 36.025 1.974 ( -8.139 -0.000 -15.435) 17.450 2.699 ( -14.515 -0.000 -14.931) 20.823 3.137 ( -7.885 -0.000 12.177) 14.507 3.195 ( 0.642 0.000 4.697) 4.741 3.352 ( -4.307 -0.000 5.520) 7.002 3.442 ( 2.680 0.000 -6.420) 6.957 3.762 ( 5.691 0.000 12.401) 13.645 3.962 ( 8.840 0.000 -10.508) 13.732 4.200 ( 4.743 0.000 4.453) 6.506 4.499 ( 2.256 0.000 -4.406) 4.950 5.021 ( 8.490 0.000 -12.049) 14.740 5.147 ( 4.565 0.000 -3.419) 5.704 5.210 ( 4.171 0.000 -0.056) 4.172 5.506 ( -3.854 -0.000 -7.360) 8.308 5.680 ( -16.147 -0.000 1.688) 16.235 5.856 ( -2.133 -0.000 -0.847) 2.295 5.933 ( 9.083 0.000 8.241) 12.264 6.011 ( 0.711 0.000 9.232) 9.259 6.304 ( -12.700 -0.000 1.692) 12.812 6.539 ( 8.564 0.000 0.424) 8.574 6.713 ( -4.763 -0.000 -5.321) 7.141 6.783 ( -5.044 -0.000 6.256) 8.037 7.280 ( -4.978 -0.000 -3.106) 5.868 7.384 ( -17.807 -0.000 -6.021) 18.798 7.396 ( -7.835 -0.000 -5.959) 9.844 7.559 ( 1.626 0.000 -4.935) 5.195 7.687 ( 4.304 0.000 10.617) 11.456 7.878 ( -5.962 -0.000 1.279) 6.098 7.986 ( 6.227 0.000 -0.773) 6.275 8.311 ( -4.509 -0.000 0.873) 4.593 8.327 ( 0.688 0.000 6.570) 6.606 8.942 ( 2.779 0.000 -3.726) 4.648 8.979 ( -3.709 -0.000 -7.146) 8.052 9.099 ( -3.833 -0.000 -0.683) 3.893 9.321 ( -5.713 -0.000 -14.380) 15.473 10.104 ( -4.861 -0.000 -0.738) 4.917 10.606 ( -5.490 -0.000 8.824) 10.393 10.643 ( 8.686 0.000 13.386) 15.958 10.996 ( -0.890 -0.000 -6.427) 6.488 11.627 ( 0.370 0.000 -0.952) 1.022 11.996 ( 5.731 0.000 13.030) 14.235 12.504 ( -18.506 -0.000 -32.674) 37.551 12.627 ( -2.860 -0.000 0.772) 2.962 12.719 ( 3.076 0.000 6.437) 7.135 13.251 ( -1.750 -0.000 -1.106) 2.070 13.271 ( 0.624 0.000 2.527) 2.603 13.406 ( 7.218 0.000 14.807) 16.472 13.885 ( 0.695 0.000 -2.340) 2.441 13.998 ( -0.969 -0.000 1.708) 1.964 14.038 ( 2.521 0.000 6.438) 6.914 14.420 ( 4.810 0.000 -5.202) 7.085 15.063 ( 7.832 0.000 13.633) 15.723 15.195 ( -4.375 -0.000 3.726) 5.746 15.603 ( -36.558 -0.000 0.673) 36.564 16.011 ( -11.976 -0.000 3.169) 12.388 16.981 ( -19.103 -0.000 6.052) 20.038 17.294 ( -1.904 -0.000 -10.719) 10.887 17.739 ( 4.271 0.000 3.015) 5.228 17.914 ( -4.191 -0.000 -5.410) 6.844 18.476 ( -21.504 -0.000 -22.439) 31.079 18.648 ( 0.107 0.000 -1.301) 1.305 18.808 ( -12.697 -0.000 13.384) 18.449 19.128 ( -0.985 -0.000 3.928) 4.050 19.737 ( -1.124 -0.000 0.239) 1.149 19.890 ( -1.338 -0.000 -0.269) 1.365 20.512 ( 10.771 0.000 -2.639) 11.089 20.582 ( 3.672 0.000 1.058) 3.822 21.374 ( 0.624 0.000 -4.486) 4.530 21.712 ( 2.019 0.000 -4.354) 4.799 ======================= Grid point 294 (140/172) ======================= q-point: (-0.10 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( -12.068 -8.795 20.873) 25.665 1.193 ( -10.676 -5.980 23.617) 26.599 1.805 ( -17.192 -8.561 22.367) 29.481 1.946 ( -13.935 -9.113 -8.764) 18.816 2.548 ( -11.733 -2.733 -19.787) 23.166 3.099 ( -7.543 0.620 8.648) 11.492 3.174 ( -6.841 1.674 3.924) 8.062 3.309 ( -1.079 3.082 6.839) 7.578 3.484 ( 3.361 -2.224 -4.550) 6.078 3.844 ( 8.297 2.114 9.873) 13.068 4.001 ( 3.756 -1.895 -7.750) 8.818 4.298 ( 6.597 -3.716 3.004) 8.145 4.533 ( 6.039 -1.755 -4.978) 8.021 4.961 ( 3.972 5.731 -13.585) 15.270 5.198 ( 6.983 -1.544 -2.336) 7.524 5.262 ( 5.621 0.021 1.051) 5.719 5.433 ( -3.629 1.269 -1.480) 4.120 5.561 ( -13.354 0.093 -0.572) 13.366 5.831 ( -2.747 -0.604 1.143) 3.037 6.027 ( 3.255 1.290 6.593) 7.465 6.067 ( 4.645 0.450 10.205) 11.221 6.290 ( -1.441 -5.850 1.519) 6.213 6.582 ( -1.025 -2.284 -5.682) 6.209 6.711 ( 3.162 0.831 0.004) 3.270 6.766 ( -1.799 0.593 7.970) 8.191 7.139 ( -11.250 2.234 -17.898) 21.258 7.235 ( -15.945 -1.983 -3.860) 16.525 7.365 ( -4.273 -1.732 4.155) 6.207 7.568 ( 2.060 -1.208 -3.234) 4.020 7.744 ( 0.959 1.676 11.055) 11.222 7.850 ( -3.798 -1.022 2.056) 4.438 8.038 ( 4.164 -0.827 2.794) 5.083 8.271 ( -3.730 0.584 1.457) 4.047 8.385 ( 1.160 -2.580 4.159) 5.030 8.858 ( -7.658 2.228 -10.136) 12.898 8.955 ( 0.924 -1.051 -5.485) 5.661 9.090 ( -1.531 -1.771 -1.703) 2.895 9.229 ( -8.748 -0.448 -6.958) 11.187 10.070 ( -4.456 -0.168 1.986) 4.882 10.509 ( -2.150 7.564 11.069) 13.578 10.774 ( -2.474 -3.736 -0.445) 4.503 10.989 ( 4.326 -0.771 -1.342) 4.595 11.628 ( 0.038 -0.536 -1.501) 1.595 12.037 ( -9.661 0.500 -0.387) 9.682 12.202 ( -9.396 3.578 -17.876) 20.510 12.600 ( -3.409 0.372 -1.056) 3.588 12.662 ( 5.451 13.843 14.758) 20.956 13.209 ( -2.254 2.476 -1.231) 3.568 13.280 ( 1.888 2.063 6.129) 6.737 13.526 ( 7.333 -0.901 8.966) 11.618 13.795 ( -1.040 8.540 4.981) 9.941 13.936 ( 5.494 0.761 -3.896) 6.778 14.243 ( 2.087 -3.861 9.749) 10.691 14.481 ( 10.644 -4.680 -4.748) 12.560 15.142 ( -13.127 -0.909 1.145) 13.208 15.160 ( -3.769 2.784 10.689) 11.671 15.448 ( -11.585 -9.343 3.749) 15.348 16.087 ( 4.922 -9.028 4.954) 11.413 16.643 ( -26.348 15.816 1.314) 30.759 17.265 ( -4.027 -2.777 -5.851) 7.627 17.679 ( -8.761 5.912 -0.247) 10.572 17.882 ( -0.746 -1.362 0.631) 1.676 18.370 ( -10.722 -14.474 -17.282) 24.963 18.608 ( -1.200 2.792 -2.049) 3.665 18.770 ( -7.862 0.654 9.777) 12.563 19.201 ( -1.345 -5.797 -0.862) 6.013 19.744 ( -0.391 -1.427 1.240) 1.931 19.883 ( -1.362 -0.816 -0.844) 1.798 20.571 ( 7.690 0.897 -1.442) 7.875 20.610 ( 1.964 0.325 1.476) 2.479 21.228 ( -3.066 13.449 1.511) 13.877 21.631 ( -2.407 5.832 -6.698) 9.201 ======================= Grid point 304 (141/172) ======================= q-point: (-0.10 -0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( -11.578 -0.000 25.628) 28.122 1.207 ( -15.045 -0.000 29.471) 33.089 1.661 ( -15.286 -0.000 44.132) 46.704 1.770 ( 2.149 0.000 -17.312) 17.444 2.347 ( -10.036 -0.000 -21.636) 23.851 3.035 ( -11.862 -0.000 6.729) 13.638 3.169 ( -2.819 -0.000 -2.051) 3.486 3.360 ( -3.113 -0.000 8.859) 9.390 3.493 ( 6.350 0.000 1.929) 6.637 3.949 ( 1.026 0.000 -12.741) 12.783 3.983 ( 5.964 0.000 13.752) 14.989 4.332 ( 7.150 0.000 3.264) 7.860 4.571 ( 10.820 0.000 -5.856) 12.303 4.950 ( -0.888 -0.000 -22.286) 22.304 5.209 ( 5.731 0.000 -1.733) 5.987 5.331 ( 6.056 0.000 4.474) 7.529 5.412 ( -0.787 -0.000 -3.629) 3.713 5.482 ( -9.246 -0.000 3.286) 9.813 5.804 ( -2.877 -0.000 2.273) 3.666 6.084 ( -5.698 -0.000 2.358) 6.167 6.120 ( 1.934 0.000 9.805) 9.994 6.307 ( 16.076 0.000 4.128) 16.597 6.475 ( -5.011 -0.000 -10.948) 12.041 6.745 ( -0.566 -0.000 2.342) 2.409 6.862 ( 11.795 0.000 10.634) 15.881 6.983 ( -12.884 -0.000 -16.561) 20.982 7.072 ( -13.643 -0.000 -0.844) 13.669 7.343 ( -3.498 -0.000 7.080) 7.897 7.569 ( 3.041 0.000 -1.484) 3.384 7.794 ( -3.027 -0.000 7.668) 8.244 7.822 ( -2.775 -0.000 3.552) 4.507 8.068 ( 0.334 0.000 4.883) 4.894 8.270 ( 1.589 0.000 1.068) 1.914 8.383 ( 0.438 0.000 4.523) 4.544 8.750 ( -10.809 -0.000 -13.829) 17.552 8.910 ( -1.664 -0.000 -6.222) 6.441 9.064 ( 0.808 0.000 -2.120) 2.269 9.146 ( -8.855 -0.000 -1.277) 8.947 10.055 ( -1.706 -0.000 3.327) 3.739 10.601 ( -4.494 -0.000 9.683) 10.675 10.672 ( -6.549 -0.000 -8.105) 10.420 11.010 ( 3.760 0.000 -1.375) 4.004 11.613 ( -0.659 -0.000 -2.220) 2.315 11.842 ( -20.502 -0.000 -15.216) 25.532 12.206 ( 5.106 0.000 -0.469) 5.128 12.568 ( -3.337 -0.000 -2.539) 4.193 12.907 ( 4.168 0.000 13.584) 14.209 13.204 ( -1.173 -0.000 -0.791) 1.415 13.327 ( 0.690 0.000 5.631) 5.673 13.595 ( 5.426 0.000 -1.817) 5.722 13.886 ( -0.025 -0.000 1.502) 1.502 13.997 ( -0.857 -0.000 1.278) 1.539 14.455 ( 36.568 0.000 4.672) 36.866 14.463 ( 5.037 0.000 -4.019) 6.444 15.024 ( -13.463 -0.000 0.895) 13.493 15.134 ( -16.003 -0.000 2.041) 16.132 15.468 ( 23.052 0.000 23.928) 33.225 16.069 ( 9.734 0.000 2.983) 10.181 16.695 ( -21.375 -0.000 8.621) 23.048 17.068 ( -18.600 -0.000 -14.727) 23.725 17.784 ( -5.041 -0.000 -7.997) 9.453 17.822 ( -25.711 -0.000 -10.089) 27.619 17.889 ( 5.003 0.000 5.628) 7.530 18.598 ( -4.066 -0.000 -3.293) 5.232 18.769 ( -5.446 -0.000 13.325) 14.395 19.177 ( 5.700 0.000 -1.619) 5.925 19.737 ( 0.325 0.000 1.195) 1.239 19.863 ( -1.234 -0.000 -1.106) 1.658 20.628 ( 5.363 0.000 -1.017) 5.459 20.638 ( 1.602 0.000 2.015) 2.574 21.380 ( 4.714 0.000 -4.505) 6.520 21.608 ( -10.681 -0.000 -7.148) 12.852 ======================= Grid point 305 (142/172) ======================= 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 18.911 0.000 -10.717) 21.736 1.388 ( -18.911 -0.000 10.717) 21.736 1.617 ( -2.521 -0.000 -14.101) 14.324 1.617 ( 2.521 0.000 14.101) 14.324 2.981 ( -13.467 -0.000 -8.947) 16.168 2.981 ( 13.467 0.000 8.947) 16.168 3.106 ( -5.776 -0.000 -18.476) 19.358 3.106 ( 5.776 0.000 18.476) 19.358 3.686 ( -1.951 -0.000 -4.337) 4.756 3.686 ( 1.951 0.000 4.337) 4.756 4.363 ( -1.804 -0.000 -13.292) 13.414 4.363 ( 1.804 0.000 13.292) 13.414 4.483 ( 1.707 0.000 -6.014) 6.252 4.483 ( -1.707 -0.000 6.014) 6.252 5.309 ( -3.570 -0.000 -4.161) 5.483 5.309 ( 3.570 0.000 4.161) 5.483 5.445 ( -7.922 -0.000 2.611) 8.341 5.445 ( 7.922 0.000 -2.611) 8.341 5.987 ( -5.170 -0.000 -3.632) 6.319 5.987 ( 5.170 0.000 3.632) 6.319 6.309 ( -3.610 -0.000 -6.266) 7.231 6.309 ( 3.610 0.000 6.266) 7.231 6.373 ( -0.722 -0.000 -5.620) 5.666 6.373 ( 0.722 0.000 5.620) 5.666 6.927 ( 10.932 0.000 -6.145) 12.541 6.927 ( -10.932 -0.000 6.145) 12.541 7.348 ( -11.836 -0.000 -3.024) 12.216 7.348 ( 11.836 0.000 3.024) 12.216 7.703 ( -8.622 -0.000 -1.772) 8.803 7.703 ( 8.622 0.000 1.772) 8.803 7.964 ( -6.534 -0.000 -5.217) 8.362 7.964 ( 6.534 0.000 5.217) 8.362 8.456 ( -1.998 -0.000 -1.657) 2.596 8.456 ( 1.998 0.000 1.657) 2.596 8.619 ( -10.512 -0.000 -8.706) 13.649 8.619 ( 10.512 0.000 8.706) 13.649 9.056 ( -5.449 -0.000 1.795) 5.737 9.056 ( 5.449 0.000 -1.795) 5.737 10.289 ( -5.893 -0.000 -10.208) 11.787 10.289 ( 5.893 0.000 10.208) 11.787 10.830 ( 0.590 0.000 -11.174) 11.190 10.830 ( -0.590 -0.000 11.174) 11.190 11.536 ( -0.780 -0.000 -0.314) 0.841 11.536 ( 0.780 0.000 0.314) 0.841 12.386 ( -4.454 -0.000 -5.410) 7.008 12.386 ( 4.454 0.000 5.410) 7.008 13.165 ( 1.697 0.000 -4.725) 5.021 13.165 ( -1.697 -0.000 4.725) 5.021 13.493 ( 1.038 0.000 -6.444) 6.527 13.493 ( -1.038 -0.000 6.444) 6.527 13.956 ( -2.607 -0.000 -2.075) 3.332 13.956 ( 2.607 0.000 2.075) 3.332 14.549 ( 0.929 0.000 -7.272) 7.331 14.549 ( -0.929 -0.000 7.272) 7.331 14.945 ( -3.607 -0.000 -1.144) 3.784 14.945 ( 3.607 0.000 1.144) 3.784 16.114 ( -11.560 -0.000 0.560) 11.573 16.114 ( 11.560 0.000 -0.560) 11.573 16.720 ( 0.512 0.000 -3.060) 3.103 16.720 ( -0.512 -0.000 3.060) 3.103 17.540 ( -0.555 -0.000 -2.560) 2.620 17.540 ( 0.555 0.000 2.560) 2.620 18.320 ( -9.305 -0.000 -9.505) 13.301 18.320 ( 9.305 0.000 9.505) 13.301 19.055 ( 6.133 0.000 -13.283) 14.631 19.055 ( -6.133 -0.000 13.283) 14.631 19.799 ( -1.193 -0.000 -2.033) 2.357 19.799 ( 1.193 0.000 2.033) 2.357 20.671 ( -1.873 -0.000 0.480) 1.933 20.671 ( 1.873 0.000 -0.480) 1.933 21.385 ( 11.612 0.000 -4.194) 12.347 21.385 ( -11.612 -0.000 4.194) 12.347 ======================= Grid point 307 (143/172) ======================= q-point: ( 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -6.356 -2.395 3.914) 7.839 1.567 ( 9.480 -4.369 -4.003) 11.179 1.652 ( 16.438 -10.586 -20.806) 28.551 1.794 ( 2.812 -9.004 20.128) 22.228 2.760 ( -11.212 0.537 -30.534) 32.532 3.026 ( 3.865 1.649 5.757) 7.127 3.123 ( 5.295 -3.375 -5.622) 8.428 3.254 ( 8.395 1.939 14.438) 16.813 3.633 ( -5.570 0.703 -3.813) 6.786 3.730 ( 2.136 -1.474 5.640) 6.209 4.305 ( -3.689 -0.789 -11.613) 12.210 4.423 ( -1.964 0.015 11.402) 11.570 4.455 ( -3.658 -0.026 -4.387) 5.712 4.513 ( -0.956 -2.483 10.374) 10.710 5.275 ( -2.672 -0.943 -2.539) 3.804 5.329 ( 2.178 1.704 3.392) 4.377 5.397 ( -5.146 0.120 0.437) 5.166 5.491 ( 8.695 1.119 -4.766) 9.978 5.953 ( -5.491 -2.807 -5.354) 8.167 6.066 ( 4.372 -2.330 2.212) 5.426 6.266 ( -1.926 3.369 -4.124) 5.662 6.320 ( 0.781 -2.629 4.219) 5.032 6.356 ( 0.727 2.358 -0.159) 2.473 6.397 ( 3.171 1.057 11.605) 12.077 6.904 ( -5.461 -1.170 4.315) 7.058 7.022 ( 13.930 -0.998 -8.910) 16.566 7.209 ( -14.631 0.185 -5.635) 15.680 7.423 ( 8.083 0.332 -1.402) 8.210 7.637 ( -7.812 -0.793 -1.354) 7.968 7.780 ( 7.804 -0.061 0.983) 7.866 7.920 ( -2.698 -1.371 -3.959) 4.983 8.061 ( 9.485 -1.076 4.994) 10.773 8.445 ( -3.159 -0.910 -1.618) 3.664 8.476 ( -7.812 -0.432 1.578) 7.982 8.522 ( -0.238 -1.878 -6.115) 6.401 8.738 ( 9.222 -1.051 6.331) 11.236 9.036 ( -2.914 -0.941 2.650) 4.050 9.096 ( 5.898 0.177 -1.484) 6.084 10.222 ( -3.209 -0.858 -9.406) 9.975 10.390 ( 7.475 -0.122 9.491) 12.082 10.800 ( 1.985 -0.092 -9.707) 9.909 10.881 ( 1.318 -0.378 11.220) 11.304 11.546 ( 0.414 -1.100 0.160) 1.186 11.578 ( 1.992 -2.697 3.877) 5.126 12.317 ( -4.135 1.479 -5.512) 7.047 12.437 ( 5.346 0.933 4.791) 7.239 13.074 ( -1.070 8.420 -8.057) 11.703 13.128 ( 0.305 4.838 4.337) 6.505 13.475 ( -0.064 0.549 -6.311) 6.335 13.518 ( -0.245 -0.573 5.487) 5.522 13.922 ( -2.459 0.280 -1.804) 3.062 13.952 ( -1.181 2.372 1.341) 2.970 14.453 ( -6.979 3.807 -2.670) 8.386 14.527 ( -4.850 0.772 6.383) 8.054 14.959 ( 3.859 -1.240 -1.171) 4.219 15.061 ( 13.486 -4.970 0.077) 14.373 15.883 ( -15.089 6.685 -6.041) 17.574 16.159 ( 14.326 3.818 -0.044) 14.826 16.583 ( -17.844 2.349 -2.901) 18.231 16.998 ( 25.610 -8.625 -1.137) 27.047 17.552 ( -0.824 -2.437 -4.090) 4.831 17.697 ( 9.354 -8.827 9.492) 15.985 18.212 ( -7.504 -1.516 -8.581) 11.500 18.399 ( 6.868 2.350 7.429) 10.387 19.032 ( -3.398 0.671 -2.881) 4.505 19.119 ( 6.989 -3.394 -2.807) 8.261 19.794 ( -0.711 -1.456 -1.922) 2.514 19.826 ( 1.440 -1.118 1.542) 2.387 20.628 ( -4.793 1.951 1.499) 5.388 20.661 ( 0.575 1.564 -0.807) 1.852 21.269 ( -8.256 4.799 3.161) 10.059 21.401 ( 8.225 6.458 0.554) 10.472 ======================= Grid point 308 (144/172) ======================= q-point: ( 0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -4.933 -3.230 2.083) 6.254 1.681 ( 4.449 -10.569 -18.053) 21.387 2.009 ( 22.392 -13.534 -9.009) 27.672 2.093 ( 4.853 -11.246 19.755) 23.244 2.609 ( -7.007 -4.530 -22.092) 23.616 3.077 ( 5.474 0.516 8.817) 10.391 3.179 ( 5.528 0.750 -4.637) 7.254 3.276 ( 8.898 5.217 -0.296) 10.319 3.572 ( -5.946 -2.469 -5.737) 8.624 3.789 ( -1.197 -0.959 5.694) 5.897 4.192 ( -10.067 3.181 -8.044) 13.273 4.403 ( -6.046 -0.301 -0.744) 6.099 4.467 ( -0.667 -3.375 4.944) 6.023 4.604 ( 2.160 -0.838 10.981) 11.223 5.231 ( -3.136 2.847 1.475) 4.485 5.347 ( -5.541 -0.314 -1.652) 5.790 5.408 ( 7.652 -4.711 0.734) 9.016 5.506 ( 6.845 1.732 -5.489) 8.943 5.946 ( -5.180 -3.163 -3.695) 7.105 6.106 ( 1.563 0.861 -0.491) 1.851 6.214 ( -0.792 0.196 1.053) 1.332 6.301 ( -0.046 4.190 2.008) 4.646 6.385 ( -1.601 5.179 7.517) 9.268 6.507 ( 8.341 -9.261 5.577) 13.655 6.869 ( -4.340 1.815 3.642) 5.949 7.037 ( 5.174 2.279 -12.176) 13.424 7.176 ( -1.125 -4.796 0.290) 4.934 7.468 ( 3.788 -0.900 -3.877) 5.495 7.597 ( -5.625 -1.523 -0.039) 5.827 7.825 ( 4.870 1.023 -0.785) 5.038 7.933 ( 0.897 -2.494 -4.632) 5.336 8.178 ( 7.872 -1.773 1.194) 8.157 8.346 ( -11.944 -0.355 -6.102) 13.417 8.468 ( -2.159 -1.730 1.357) 3.081 8.599 ( 5.734 -2.250 3.728) 7.199 8.848 ( 4.989 -1.688 5.129) 7.352 9.071 ( 1.507 -2.358 2.083) 3.489 9.141 ( 6.243 -1.025 -0.508) 6.347 10.187 ( -1.307 -1.133 -7.512) 7.708 10.451 ( 5.497 3.082 4.029) 7.480 10.788 ( 2.362 -0.010 -5.309) 5.811 10.949 ( 1.738 -0.734 9.983) 10.160 11.579 ( 1.154 -1.752 0.335) 2.125 11.685 ( 4.024 -3.803 6.687) 8.682 12.225 ( -3.777 2.812 -4.154) 6.279 12.475 ( 6.282 2.271 3.638) 7.607 12.796 ( -5.616 13.572 -13.537) 19.975 13.048 ( 2.275 7.300 5.763) 9.575 13.409 ( -1.425 2.636 -7.173) 7.774 13.529 ( -0.232 2.004 5.299) 5.670 13.855 ( -5.875 1.266 -3.974) 7.205 13.932 ( -3.427 -2.205 1.540) 4.356 14.364 ( -2.497 0.346 -0.999) 2.712 14.536 ( -1.808 -2.149 4.822) 5.580 15.033 ( 6.970 -2.572 -1.725) 7.627 15.300 ( 15.601 -7.052 -3.854) 17.549 15.706 ( -3.449 -0.475 -8.992) 9.642 16.205 ( 20.779 7.513 1.739) 22.164 16.468 ( -18.688 -9.197 -2.107) 20.934 17.262 ( 16.092 -2.639 -2.258) 16.462 17.571 ( 0.880 -1.933 -3.989) 4.519 17.921 ( 3.471 -2.906 5.882) 7.423 18.268 ( 4.032 -8.364 3.598) 9.957 18.415 ( 3.961 3.801 6.526) 8.527 18.944 ( -7.521 2.887 -3.814) 8.913 19.223 ( 10.154 -1.863 -5.130) 11.528 19.832 ( 0.592 -3.895 -1.778) 4.322 19.875 ( 1.554 -2.629 0.582) 3.109 20.558 ( -5.899 1.535 2.920) 6.759 20.630 ( 0.813 1.606 -1.397) 2.279 21.128 ( -2.313 5.962 -3.248) 7.172 21.319 ( 3.607 8.899 5.650) 11.141 ======================= Grid point 309 (145/172) ======================= q-point: ( 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -4.525 -3.489 -4.230) 7.109 1.854 ( 7.192 -9.731 -15.582) 19.729 2.339 ( 7.905 -11.209 -0.570) 13.728 2.398 ( 7.920 -9.618 9.100) 15.428 2.641 ( -4.011 -10.453 -6.822) 13.111 3.130 ( 6.218 5.068 3.999) 8.963 3.158 ( 3.123 0.901 0.648) 3.315 3.264 ( 10.514 3.153 -3.605) 11.554 3.590 ( -3.234 -6.007 -8.081) 10.576 3.759 ( -7.338 3.265 3.320) 8.691 4.017 ( -6.946 3.772 -3.073) 8.480 4.366 ( -5.307 -0.093 2.851) 6.025 4.553 ( 1.780 -4.047 0.599) 4.461 4.656 ( 2.510 0.057 4.890) 5.497 5.154 ( -1.047 4.280 -0.234) 4.412 5.299 ( -7.397 -1.506 -3.817) 8.459 5.480 ( 8.112 3.934 -4.324) 9.999 5.597 ( 5.006 -6.355 0.025) 8.090 5.947 ( -5.098 -1.982 -2.336) 5.948 6.077 ( -1.894 6.505 10.262) 12.297 6.157 ( -2.693 1.013 -5.134) 5.885 6.235 ( 0.568 4.121 5.017) 6.518 6.353 ( -1.569 -3.201 3.253) 4.826 6.758 ( 7.602 -6.438 4.581) 10.965 6.828 ( -0.754 0.633 -4.257) 4.369 7.033 ( 8.386 -0.692 -3.299) 9.038 7.265 ( 2.661 -3.134 2.060) 4.599 7.475 ( -2.220 -0.598 -2.833) 3.649 7.611 ( -2.116 -3.067 1.916) 4.190 7.817 ( 2.508 2.038 -3.531) 4.787 7.970 ( 2.567 -2.237 -6.165) 7.043 8.178 ( -10.089 -1.207 -4.909) 11.284 8.324 ( 3.205 -1.346 0.399) 3.499 8.489 ( -0.904 -1.292 1.149) 1.951 8.696 ( 6.341 -0.730 5.006) 8.112 8.907 ( -0.723 -1.313 3.855) 4.137 9.121 ( 2.534 -0.604 0.299) 2.622 9.270 ( 9.338 -5.678 1.763) 11.070 10.179 ( -1.014 -1.167 -2.981) 3.358 10.401 ( 3.770 5.970 -5.006) 8.655 10.800 ( 2.843 -0.161 0.176) 2.853 10.998 ( -1.094 -0.318 6.881) 6.974 11.621 ( 1.082 -1.527 0.407) 1.915 11.801 ( 4.742 -1.355 6.813) 8.411 12.140 ( -2.410 2.341 -0.317) 3.375 12.428 ( 2.674 10.744 -12.580) 16.758 12.524 ( -3.246 2.448 -1.124) 4.218 12.972 ( 2.582 5.920 6.071) 8.864 13.336 ( -0.694 0.988 -5.131) 5.271 13.499 ( -1.355 2.265 3.896) 4.706 13.774 ( -6.139 0.828 -5.392) 8.212 13.966 ( -2.172 -3.085 1.803) 4.182 14.385 ( 2.434 -2.984 -2.146) 4.409 14.589 ( -0.724 -2.200 4.965) 5.479 15.135 ( 6.441 -3.103 -2.241) 7.492 15.423 ( 2.311 -2.728 -8.390) 9.120 15.787 ( 7.205 -4.401 -1.097) 8.514 16.320 ( 23.223 -1.990 2.676) 23.461 16.557 ( -5.041 -10.889 -2.083) 12.179 17.335 ( 3.088 0.944 -5.106) 6.042 17.626 ( 5.986 -1.703 -0.591) 6.251 17.950 ( -3.817 -1.420 1.129) 4.226 18.383 ( -1.958 3.632 6.936) 8.071 18.464 ( 8.342 -1.928 9.156) 12.535 18.788 ( -9.498 3.780 -6.399) 12.060 19.310 ( 10.495 -0.381 -2.734) 10.852 19.922 ( 3.423 -4.978 -3.265) 6.867 19.949 ( 1.248 -4.077 1.676) 4.581 20.502 ( -5.458 1.060 1.891) 5.873 20.627 ( 1.354 -1.281 -1.060) 2.144 21.011 ( 0.595 4.240 -5.418) 6.906 21.200 ( 1.216 9.684 6.734) 11.857 ======================= Grid point 310 (146/172) ======================= q-point: ( 0.40 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -1.939 -2.734 -5.309) 6.279 1.979 ( 3.980 -4.398 -7.505) 9.566 2.534 ( 2.661 -5.306 4.233) 7.290 2.585 ( 3.221 -4.689 -1.710) 5.940 2.803 ( -2.688 -11.199 -1.516) 11.616 3.085 ( 2.805 3.900 0.075) 4.805 3.185 ( 2.653 0.863 3.988) 4.867 3.293 ( 5.083 1.965 0.686) 5.493 3.597 ( -3.841 0.071 -3.253) 5.034 3.684 ( 0.477 -2.434 -2.820) 3.756 3.935 ( -2.692 2.439 0.732) 3.706 4.340 ( -2.874 0.301 2.215) 3.641 4.634 ( 1.322 -3.023 0.010) 3.299 4.700 ( 3.166 -1.300 2.159) 4.046 5.066 ( -0.431 3.842 -2.432) 4.567 5.239 ( -5.900 0.249 -5.907) 8.352 5.459 ( 2.936 1.869 -1.539) 3.806 5.640 ( 1.499 4.224 0.811) 4.555 5.885 ( -6.092 0.839 -0.238) 6.154 6.025 ( -1.404 -0.607 1.819) 2.377 6.135 ( -1.388 1.454 4.607) 5.026 6.238 ( 2.570 -0.934 -0.260) 2.746 6.463 ( 2.417 -6.209 5.798) 8.832 6.759 ( -0.742 2.144 -6.021) 6.435 6.895 ( 4.494 -1.565 1.958) 5.146 7.144 ( 6.113 -3.062 -1.578) 7.017 7.331 ( 4.854 -0.252 0.207) 4.865 7.439 ( -5.651 -0.209 1.121) 5.765 7.661 ( -1.777 -2.503 1.900) 3.610 7.789 ( 2.900 1.181 -3.342) 4.580 8.002 ( 2.712 -1.692 -5.454) 6.322 8.111 ( -8.619 -1.423 -0.921) 8.784 8.356 ( 1.275 0.073 -0.286) 1.309 8.507 ( 0.214 -0.722 0.385) 0.846 8.756 ( 4.052 0.625 3.374) 5.310 8.929 ( -1.573 -1.176 1.885) 2.722 9.145 ( 1.469 -0.235 0.356) 1.530 9.457 ( 7.839 -5.609 1.413) 9.742 10.177 ( -4.145 -0.136 5.231) 6.675 10.296 ( 4.733 4.872 -11.602) 13.445 10.841 ( 4.221 -0.734 2.050) 4.749 10.990 ( -4.403 0.677 2.495) 5.106 11.648 ( 0.464 -0.609 0.206) 0.793 11.849 ( 2.799 1.617 4.647) 5.661 12.116 ( 0.066 0.411 3.372) 3.398 12.219 ( -2.042 4.720 -12.877) 13.866 12.505 ( 1.078 1.164 1.449) 2.148 12.932 ( 1.173 2.634 3.659) 4.659 13.334 ( 2.025 -1.402 -1.181) 2.731 13.462 ( -2.022 1.948 2.127) 3.522 13.685 ( -4.306 1.584 -4.968) 6.763 14.005 ( -1.187 -1.905 1.315) 2.601 14.467 ( 3.958 -3.501 -2.491) 5.842 14.626 ( -1.297 -0.612 4.465) 4.690 15.206 ( 2.789 -1.545 -2.243) 3.898 15.452 ( 0.991 -2.314 -4.003) 4.729 15.858 ( 2.025 -0.558 -0.134) 2.105 16.588 ( 8.325 -6.044 2.262) 10.534 16.766 ( 18.363 -9.966 -1.382) 20.939 17.277 ( -3.772 2.742 -3.682) 5.941 17.644 ( -3.599 2.000 -1.068) 4.254 17.982 ( 1.863 -3.553 2.138) 4.546 18.305 ( -5.947 3.898 3.037) 7.732 18.521 ( 4.861 4.977 8.992) 11.369 18.660 ( -5.945 -0.993 -8.163) 10.147 19.378 ( 6.238 -0.015 -0.143) 6.239 20.003 ( 2.363 -2.715 -2.471) 4.366 20.058 ( 3.381 -4.336 1.867) 5.806 20.443 ( -4.400 1.334 0.115) 4.599 20.691 ( 1.173 -4.925 -1.158) 5.193 20.946 ( 0.536 2.000 -2.980) 3.629 21.056 ( 0.256 9.372 4.594) 10.440 ======================= Grid point 311 (147/172) ======================= q-point: ( 0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.000 0.000 0.000) 0.000 2.018 ( -0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.620 ( -0.000 0.000 -0.000) 0.000 2.953 ( -0.000 -0.000 0.000) 0.000 3.001 ( -0.000 0.000 0.000) 0.000 3.211 ( -0.000 0.000 0.000) 0.000 3.270 ( -0.000 0.000 -0.000) 0.000 3.598 ( -0.000 0.000 -0.000) 0.000 3.726 ( -0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 4.330 ( -0.000 0.000 -0.000) 0.000 4.662 ( -0.000 0.000 -0.000) 0.000 4.748 ( 0.000 -0.000 0.000) 0.000 5.020 ( 0.000 0.000 0.000) 0.000 5.181 ( -0.000 0.000 0.000) 0.000 5.451 ( -0.000 0.000 0.000) 0.000 5.599 ( -0.000 0.000 -0.000) 0.000 5.844 ( 0.000 0.000 0.000) 0.000 6.048 ( -0.000 0.000 0.000) 0.000 6.114 ( -0.000 0.000 0.000) 0.000 6.261 ( -0.000 0.000 -0.000) 0.000 6.578 ( -0.000 -0.000 0.000) 0.000 6.704 ( 0.000 0.000 -0.000) 0.000 6.933 ( -0.000 0.000 -0.000) 0.000 7.180 ( -0.000 0.000 0.000) 0.000 7.349 ( -0.000 0.000 0.000) 0.000 7.428 ( -0.000 0.000 0.000) 0.000 7.675 ( -0.000 0.000 0.000) 0.000 7.793 ( -0.000 0.000 0.000) 0.000 8.022 ( -0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 -0.000) 0.000 8.355 ( 0.000 0.000 0.000) 0.000 8.516 ( -0.000 0.000 0.000) 0.000 8.772 ( -0.000 0.000 0.000) 0.000 8.938 ( 0.000 0.000 0.000) 0.000 9.154 ( 0.000 0.000 0.000) 0.000 9.553 ( -0.000 0.000 0.000) 0.000 10.162 ( 0.000 0.000 -0.000) 0.000 10.249 ( -0.000 0.000 0.000) 0.000 10.887 ( 0.000 0.000 0.000) 0.000 10.952 ( -0.000 0.000 -0.000) 0.000 11.654 ( -0.000 0.000 0.000) 0.000 11.852 ( -0.000 0.000 0.000) 0.000 12.127 ( -0.000 -0.000 -0.000) 0.000 12.140 ( 0.000 0.000 0.000) 0.000 12.502 ( -0.000 0.000 -0.000) 0.000 12.922 ( -0.000 0.000 0.000) 0.000 13.376 ( 0.000 0.000 0.000) 0.000 13.423 ( 0.000 0.000 0.000) 0.000 13.637 ( -0.000 0.000 -0.000) 0.000 14.020 ( -0.000 0.000 0.000) 0.000 14.517 ( -0.000 0.000 0.000) 0.000 14.631 ( 0.000 0.000 -0.000) 0.000 15.224 ( -0.000 0.000 0.000) 0.000 15.473 ( -0.000 0.000 0.000) 0.000 15.868 ( 0.000 0.000 0.000) 0.000 16.666 ( -0.000 0.000 0.000) 0.000 17.048 ( 0.000 -0.000 0.000) 0.000 17.158 ( -0.000 0.000 0.000) 0.000 17.573 ( 0.000 0.000 -0.000) 0.000 18.065 ( 0.000 -0.000 0.000) 0.000 18.218 ( -0.000 0.000 0.000) 0.000 18.503 ( -0.000 0.000 -0.000) 0.000 18.638 ( 0.000 0.000 0.000) 0.000 19.404 ( -0.000 0.000 0.000) 0.000 20.033 ( -0.000 0.000 0.000) 0.000 20.125 ( -0.000 0.000 0.000) 0.000 20.406 ( 0.000 0.000 -0.000) 0.000 20.764 ( -0.000 0.000 0.000) 0.000 20.915 ( -0.000 0.000 0.000) 0.000 20.964 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 318 (148/172) ======================= q-point: ( 0.10 0.10 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 11.919 0.000 -3.052) 12.303 1.491 ( -2.831 -0.000 -2.574) 3.826 1.659 ( 19.477 0.000 -20.968) 28.619 1.874 ( 15.745 0.000 24.321) 28.973 2.527 ( -7.085 -0.000 -40.392) 41.008 3.085 ( 3.344 0.000 5.131) 6.125 3.141 ( 11.774 0.000 -4.228) 12.510 3.402 ( 7.392 0.000 8.579) 11.324 3.578 ( -7.155 -0.000 -5.417) 8.975 3.745 ( -0.894 -0.000 8.604) 8.650 4.215 ( -5.657 -0.000 -11.193) 12.542 4.390 ( -6.466 -0.000 -4.124) 7.669 4.452 ( -5.462 -0.000 4.802) 7.272 4.525 ( 0.913 0.000 21.244) 21.264 5.210 ( -5.841 -0.000 -1.916) 6.147 5.370 ( -0.692 -0.000 0.885) 1.123 5.377 ( -0.721 -0.000 -0.001) 0.721 5.558 ( 10.025 0.000 -5.780) 11.572 5.870 ( -2.900 -0.000 -4.649) 5.480 6.098 ( 7.173 0.000 1.039) 7.248 6.267 ( 0.580 0.000 -4.292) 4.331 6.314 ( -9.851 -0.000 2.039) 10.060 6.325 ( -1.618 -0.000 3.499) 3.855 6.516 ( 5.534 0.000 17.603) 18.452 6.914 ( 7.653 0.000 -0.599) 7.677 7.055 ( -11.749 -0.000 -10.642) 15.852 7.107 ( 12.056 0.000 -4.615) 12.909 7.463 ( 4.451 0.000 -5.009) 6.701 7.565 ( -6.754 -0.000 -0.580) 6.779 7.845 ( 6.339 0.000 1.107) 6.435 7.883 ( -0.288 -0.000 -2.450) 2.467 8.145 ( 9.622 0.000 0.504) 9.635 8.352 ( -11.986 -0.000 -7.581) 14.182 8.419 ( -2.071 -0.000 0.165) 2.078 8.547 ( 5.990 0.000 6.630) 8.935 8.815 ( 6.855 0.000 4.100) 7.988 9.020 ( -0.417 -0.000 2.158) 2.198 9.142 ( 4.894 0.000 0.109) 4.895 10.166 ( -0.037 -0.000 -8.277) 8.277 10.499 ( 9.074 0.000 9.872) 13.409 10.782 ( 3.375 0.000 -9.710) 10.280 10.926 ( 0.320 0.000 8.957) 8.962 11.567 ( 1.026 0.000 2.327) 2.543 11.592 ( 6.465 0.000 9.068) 11.137 12.279 ( -2.960 -0.000 -6.097) 6.778 12.504 ( 5.286 0.000 4.082) 6.679 13.121 ( -1.946 -0.000 -9.220) 9.423 13.176 ( -0.100 -0.000 2.652) 2.654 13.448 ( 0.014 0.000 -7.212) 7.212 13.523 ( -0.723 -0.000 4.994) 5.046 13.891 ( -4.731 -0.000 0.536) 4.761 13.997 ( 0.203 0.000 1.308) 1.323 14.410 ( -10.630 -0.000 1.030) 10.680 14.445 ( -15.852 -0.000 2.098) 15.990 15.047 ( 15.650 0.000 -1.385) 15.711 15.138 ( 18.346 0.000 0.816) 18.364 15.791 ( -18.413 -0.000 -10.039) 20.972 16.111 ( -5.722 -0.000 -1.756) 5.985 16.888 ( 21.955 0.000 -11.285) 24.686 16.897 ( 12.577 0.000 4.647) 13.408 17.642 ( 5.879 0.000 6.411) 8.698 17.667 ( 17.486 0.000 5.556) 18.347 18.079 ( -8.745 -0.000 -11.953) 14.811 18.501 ( 4.517 0.000 6.924) 8.267 19.072 ( 11.970 0.000 -19.168) 22.598 19.078 ( -1.867 -0.000 8.056) 8.269 19.769 ( -0.180 -0.000 -2.253) 2.260 19.837 ( 1.649 0.000 1.667) 2.345 20.600 ( -8.326 -0.000 2.135) 8.595 20.664 ( -1.862 -0.000 -0.690) 1.985 21.269 ( -7.710 -0.000 7.845) 11.000 21.534 ( 6.654 0.000 1.773) 6.886 ======================= Grid point 319 (149/172) ======================= q-point: ( 0.20 0.10 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 5.867 6.137 0.172) 8.492 1.488 ( 13.291 -7.218 -20.664) 25.607 1.863 ( 8.497 -13.826 -6.918) 17.642 2.153 ( 18.847 -3.442 20.430) 28.008 2.389 ( 3.211 -3.599 -32.698) 33.052 3.153 ( 7.413 -0.326 5.207) 9.064 3.224 ( 9.464 0.011 -3.942) 10.253 3.430 ( 7.837 3.924 -3.162) 9.317 3.480 ( -9.203 0.294 -3.959) 10.023 3.771 ( -5.156 -0.922 7.893) 9.473 4.114 ( -8.225 0.399 -10.423) 13.283 4.327 ( -7.595 -1.068 -1.008) 7.736 4.436 ( -1.778 -0.915 4.551) 4.971 4.646 ( 0.072 -1.907 19.014) 19.109 5.181 ( -5.883 -2.255 -1.418) 6.458 5.313 ( -5.604 2.282 -2.447) 6.527 5.404 ( 4.008 -2.028 1.443) 4.718 5.601 ( 10.885 2.141 -5.448) 12.359 5.859 ( -0.902 -1.406 -2.476) 2.987 6.122 ( -0.023 1.567 -2.760) 3.173 6.216 ( 0.751 0.923 -3.491) 3.688 6.282 ( -6.756 -1.957 -0.512) 7.052 6.434 ( 5.524 -8.217 7.992) 12.724 6.572 ( 2.021 6.931 15.884) 17.448 6.877 ( -7.576 2.129 -3.657) 8.678 7.013 ( 8.272 -1.310 -3.768) 9.183 7.210 ( 13.140 -0.120 -2.052) 13.300 7.464 ( 1.874 0.244 -5.403) 5.724 7.532 ( -4.215 -1.522 0.327) 4.493 7.870 ( 2.002 0.975 -0.855) 2.385 7.899 ( 3.050 -1.380 -2.917) 4.441 8.163 ( -5.924 0.106 -9.713) 11.377 8.281 ( 2.685 -0.679 0.142) 2.773 8.422 ( -1.430 -1.826 -0.153) 2.324 8.654 ( 8.301 -1.051 10.158) 13.160 8.874 ( 1.798 -0.537 3.681) 4.132 9.060 ( 4.610 -2.020 0.950) 5.122 9.176 ( 3.601 -0.164 1.171) 3.790 10.148 ( 1.773 -0.348 -6.436) 6.685 10.577 ( 6.877 3.198 5.238) 9.217 10.784 ( 3.885 -0.838 -6.075) 7.259 10.956 ( -2.476 -1.301 4.645) 5.422 11.585 ( 0.880 -0.318 2.760) 2.914 11.741 ( 12.296 -1.450 16.040) 20.262 12.219 ( -2.456 1.475 -6.137) 6.772 12.557 ( 5.080 0.631 3.341) 6.113 12.930 ( -7.135 11.617 -12.674) 18.614 13.167 ( 0.909 2.687 3.271) 4.329 13.406 ( -1.872 1.491 -7.122) 7.513 13.553 ( -0.218 -1.332 2.803) 3.111 13.864 ( -4.451 -1.170 1.376) 4.803 13.881 ( -6.611 8.469 -1.350) 10.829 14.342 ( -5.856 -0.050 3.010) 6.585 14.405 ( -9.257 -7.595 -0.511) 11.985 15.162 ( 20.053 2.341 -1.358) 20.235 15.332 ( 17.264 -1.380 -4.867) 17.989 15.614 ( -4.313 -1.714 -12.617) 13.444 16.159 ( -4.236 -9.529 -2.964) 10.841 16.659 ( 21.404 19.475 -0.452) 28.942 17.240 ( 7.093 -8.110 -3.350) 11.283 17.641 ( 9.739 3.836 2.851) 10.848 17.932 ( 4.308 -0.512 -0.301) 4.349 18.115 ( 7.688 -14.706 5.498) 17.481 18.531 ( 2.347 2.341 5.908) 6.774 18.981 ( 2.101 6.399 -6.201) 9.155 19.209 ( 9.115 -5.678 -7.119) 12.885 19.778 ( 1.060 -1.934 -2.437) 3.287 19.863 ( 1.741 -0.798 1.152) 2.235 20.525 ( -10.466 0.495 3.620) 11.086 20.636 ( -2.712 0.426 -0.970) 2.911 21.208 ( -2.805 4.850 4.295) 7.059 21.517 ( 3.126 6.860 4.485) 8.771 ======================= Grid point 320 (150/172) ======================= q-point: ( 0.30 0.10 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 9.137 3.027 -9.073) 13.228 1.713 ( 17.838 -10.394 -14.649) 25.315 2.138 ( 0.725 -14.673 -3.808) 15.176 2.393 ( 6.354 -5.697 3.433) 9.198 2.472 ( 15.686 -4.621 -2.071) 16.483 3.190 ( 0.223 2.683 -4.543) 5.280 3.265 ( 9.941 1.268 0.739) 10.049 3.388 ( 3.202 3.616 0.533) 4.859 3.448 ( -0.505 -3.300 -9.204) 9.791 3.739 ( -9.163 0.946 5.260) 10.607 4.007 ( -4.179 1.323 -4.927) 6.594 4.304 ( -7.019 -2.364 2.924) 7.962 4.491 ( -0.091 -3.677 3.040) 4.772 4.706 ( -0.487 0.969 9.017) 9.082 5.152 ( -6.014 0.029 -1.865) 6.297 5.225 ( -5.586 0.522 -2.305) 6.066 5.496 ( 2.187 -2.896 -3.903) 5.329 5.638 ( 12.823 1.655 0.737) 12.951 5.871 ( -2.418 -1.809 -0.650) 3.089 6.102 ( 0.775 -1.610 -5.186) 5.485 6.151 ( -4.543 2.446 -8.856) 10.249 6.292 ( -2.224 -1.716 7.532) 8.039 6.439 ( -2.549 10.644 13.301) 17.225 6.696 ( 7.996 -9.713 5.474) 13.720 6.820 ( -1.119 0.773 -1.966) 2.390 7.089 ( 10.647 0.470 -1.061) 10.710 7.309 ( 10.175 -0.383 3.336) 10.715 7.448 ( -0.688 0.355 -2.319) 2.445 7.550 ( -1.893 -2.743 1.238) 3.555 7.843 ( -0.454 1.455 -4.382) 4.640 7.942 ( 4.293 -1.463 -5.783) 7.349 8.060 ( -9.016 -0.947 -4.183) 9.984 8.341 ( 5.027 -0.827 -0.105) 5.096 8.451 ( 0.205 -2.301 -1.914) 3.000 8.771 ( 7.338 -0.129 8.360) 11.124 8.888 ( -3.189 -0.480 3.271) 4.593 9.135 ( 4.032 -0.770 -0.220) 4.111 9.257 ( 6.926 -4.361 2.998) 8.716 10.154 ( 2.047 -0.661 -3.143) 3.809 10.527 ( 3.893 6.665 -5.348) 9.391 10.824 ( 4.078 -0.673 1.197) 4.303 10.967 ( -4.675 -1.896 0.726) 5.096 11.610 ( -0.402 -0.828 2.360) 2.534 11.932 ( 14.555 1.171 18.865) 23.856 12.146 ( -2.412 1.646 -5.382) 6.123 12.543 ( -8.046 8.664 -6.758) 13.619 12.609 ( 5.270 7.364 -5.191) 10.438 13.118 ( 1.212 5.799 3.733) 7.002 13.327 ( -1.524 1.366 -6.008) 6.347 13.551 ( -1.029 2.287 1.958) 3.182 13.709 ( -6.482 2.261 -4.285) 8.092 13.881 ( -3.725 -3.502 1.490) 5.325 14.353 ( 0.800 -2.632 0.787) 2.861 14.499 ( -3.676 -7.251 1.594) 8.284 15.261 ( 17.789 5.201 -4.137) 18.990 15.342 ( 1.465 -2.760 -11.091) 11.523 15.725 ( 5.703 -5.975 -4.997) 9.653 16.371 ( 14.886 -12.124 -2.447) 19.354 16.601 ( 24.014 9.158 3.449) 25.931 17.321 ( 0.115 -1.050 -4.149) 4.281 17.680 ( 5.544 1.043 0.702) 5.685 17.930 ( 2.204 -0.147 -1.331) 2.578 18.408 ( 1.215 -3.665 9.646) 10.390 18.526 ( 2.694 0.017 3.765) 4.629 18.832 ( 0.017 8.657 -4.298) 9.665 19.344 ( 8.644 -3.248 -3.585) 9.906 19.848 ( 4.097 -5.073 -3.110) 7.224 19.908 ( 1.753 -2.436 1.060) 3.183 20.457 ( -9.543 -0.511 3.058) 10.033 20.607 ( -2.737 -0.383 -0.935) 2.918 21.100 ( 1.405 6.634 -1.341) 6.913 21.412 ( 1.429 9.284 6.743) 11.563 ======================= Grid point 321 (151/172) ======================= q-point: ( 0.40 0.10 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 12.921 1.331 -6.327) 14.448 1.958 ( 17.075 -4.958 -8.165) 19.565 2.381 ( -0.184 -15.386 -4.148) 15.936 2.546 ( 3.205 -5.210 3.071) 6.844 2.647 ( 8.238 -2.403 2.075) 8.828 3.106 ( -2.334 1.691 -6.045) 6.697 3.288 ( 3.777 3.413 -0.926) 5.174 3.383 ( 4.285 2.747 6.178) 8.005 3.481 ( -1.483 -5.495 -8.330) 10.089 3.672 ( -2.890 0.588 2.226) 3.695 3.963 ( -0.387 1.958 0.026) 1.996 4.307 ( -5.823 -2.191 3.299) 7.042 4.565 ( -1.524 -3.969 1.719) 4.586 4.711 ( 0.086 -0.101 2.147) 2.151 5.072 ( -6.160 1.660 -2.981) 7.042 5.190 ( -1.578 -0.255 -1.650) 2.297 5.477 ( -1.563 1.576 -5.192) 5.647 5.717 ( 7.363 2.209 -2.241) 8.007 5.860 ( -4.562 -0.279 1.257) 4.740 6.032 ( -1.899 2.134 -5.741) 6.412 6.147 ( 1.847 -3.371 -1.928) 4.300 6.292 ( -3.550 5.747 16.516) 17.844 6.417 ( 5.142 -3.795 4.850) 8.023 6.780 ( 1.635 2.067 -4.882) 5.548 6.892 ( 3.719 -4.240 2.397) 6.128 7.155 ( 6.725 0.133 0.134) 6.728 7.408 ( -2.585 1.962 -1.694) 3.660 7.411 ( 8.273 -0.324 4.063) 9.222 7.605 ( -1.281 -3.551 4.182) 5.634 7.798 ( -0.509 0.407 -4.370) 4.418 7.965 ( -0.292 -2.178 -3.221) 3.899 8.052 ( 1.818 -1.650 0.093) 2.457 8.370 ( 1.230 0.391 0.001) 1.291 8.485 ( 1.820 -1.732 -3.922) 4.658 8.814 ( 0.164 2.018 3.757) 4.267 8.895 ( -1.109 -1.846 1.991) 2.932 9.159 ( 1.686 0.267 0.431) 1.760 9.427 ( 7.061 -5.596 2.747) 9.419 10.171 ( -0.267 -0.276 2.447) 2.477 10.395 ( 3.605 7.047 -11.237) 13.745 10.875 ( 3.850 -0.400 2.409) 4.559 10.949 ( -4.809 -0.881 -1.831) 5.220 11.619 ( -2.385 -0.688 1.264) 2.786 12.041 ( 12.177 7.356 13.467) 19.589 12.089 ( -3.623 -0.451 -6.187) 7.184 12.283 ( -2.130 7.305 -2.945) 8.160 12.579 ( 4.078 3.847 0.763) 5.658 13.023 ( -0.028 5.631 1.158) 5.749 13.319 ( 1.631 -1.608 -0.956) 2.482 13.495 ( -1.706 2.902 -0.137) 3.369 13.633 ( -4.812 -0.130 -3.854) 6.166 13.925 ( -3.579 -4.082 0.312) 5.438 14.438 ( 4.330 -3.763 -0.287) 5.744 14.587 ( -2.453 -4.114 2.730) 5.513 15.241 ( 1.837 0.452 -7.316) 7.557 15.427 ( 12.318 -0.834 -4.680) 13.203 15.787 ( -2.120 -3.256 -5.900) 7.065 16.688 ( 18.997 2.060 4.662) 19.668 16.787 ( 30.781 -9.864 -0.279) 32.324 17.280 ( -3.174 2.332 -2.851) 4.863 17.641 ( -6.848 2.787 -0.773) 7.434 17.999 ( 10.000 -1.591 1.641) 10.258 18.358 ( -4.369 5.412 2.523) 7.398 18.561 ( -5.269 -0.362 -7.343) 9.045 18.698 ( 4.772 6.380 7.129) 10.691 19.413 ( 2.476 -0.145 -0.070) 2.482 19.957 ( 3.516 -3.770 -3.241) 6.090 20.010 ( 4.266 -5.508 2.422) 7.376 20.408 ( -7.043 -0.600 0.707) 7.104 20.609 ( -2.904 -3.046 -0.604) 4.251 21.006 ( 2.925 4.980 -2.543) 6.310 21.266 ( 0.123 10.869 6.393) 12.610 ======================= Grid point 322 (152/172) ======================= q-point: ( 0.50 0.10 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 14.650 1.929 1.060) 14.814 2.085 ( 12.093 1.375 -0.874) 12.202 2.603 ( 4.068 -4.653 -4.600) 7.704 2.622 ( 0.632 -1.102 6.098) 6.229 2.747 ( -0.428 -10.156 -6.282) 11.950 3.047 ( -2.164 1.757 -4.455) 5.255 3.231 ( 0.074 2.439 0.271) 2.455 3.361 ( 2.305 6.270 5.757) 8.819 3.544 ( -0.619 -4.503 -5.343) 7.014 3.719 ( 2.015 -3.207 4.538) 5.911 3.897 ( -2.206 3.130 -1.355) 4.061 4.315 ( -2.970 -1.921 0.610) 3.589 4.609 ( -4.451 -3.087 1.440) 5.605 4.730 ( -1.339 -1.194 -1.091) 2.100 4.998 ( -3.501 0.413 -2.056) 4.081 5.195 ( 3.564 -0.154 2.553) 4.386 5.413 ( -5.975 -0.157 -2.314) 6.410 5.637 ( 0.913 5.465 -7.557) 9.370 5.862 ( 0.906 -1.294 4.263) 4.546 6.035 ( 2.717 -1.806 -1.462) 3.576 6.197 ( 2.889 3.259 6.375) 7.721 6.230 ( -3.361 0.857 3.590) 4.992 6.562 ( 4.448 -3.651 1.613) 5.976 6.739 ( 2.708 2.442 -2.533) 4.440 6.923 ( -3.078 0.149 -1.942) 3.642 7.196 ( 1.605 0.752 5.196) 5.490 7.342 ( -2.190 0.471 -3.536) 4.186 7.466 ( 4.984 1.288 0.977) 5.240 7.675 ( 2.191 -1.694 3.530) 4.486 7.776 ( -3.317 0.011 -0.867) 3.429 8.003 ( -1.221 -2.210 4.457) 5.123 8.126 ( 10.189 -0.842 -0.167) 10.225 8.360 ( -0.351 0.658 -0.214) 0.776 8.505 ( 1.660 -0.753 -4.263) 4.636 8.766 ( -4.435 1.435 -0.019) 4.661 8.928 ( 0.117 -1.297 -0.048) 1.303 9.161 ( 0.533 0.755 0.452) 1.029 9.542 ( 0.564 -1.750 1.284) 2.242 10.171 ( -1.150 0.658 3.778) 4.003 10.285 ( 3.433 3.644 -7.363) 8.904 10.876 ( -3.362 0.826 -2.624) 4.344 10.950 ( 2.828 -1.147 -0.717) 3.134 11.612 ( -3.053 -0.975 0.671) 3.274 11.987 ( 4.474 7.680 -0.743) 8.919 12.049 ( -1.532 -0.945 -2.475) 3.060 12.239 ( 3.215 3.448 11.273) 12.219 12.543 ( 2.600 3.254 0.514) 4.197 12.945 ( -0.310 3.039 -1.542) 3.422 13.371 ( 1.734 -1.549 0.469) 2.371 13.423 ( -2.290 1.734 -3.224) 4.318 13.616 ( -0.731 -1.540 0.997) 1.975 13.963 ( -3.541 -3.535 -1.190) 5.143 14.525 ( 3.266 -1.709 0.288) 3.698 14.619 ( -1.918 -0.870 0.950) 2.311 15.238 ( 0.663 -1.157 -2.844) 3.141 15.497 ( 8.249 0.668 -3.718) 9.073 15.794 ( -1.723 -2.253 -5.726) 6.390 16.794 ( 15.645 4.314 4.346) 16.801 17.079 ( -3.195 4.593 0.204) 5.599 17.198 ( 10.401 -0.131 -0.072) 10.402 17.556 ( -1.070 -1.325 0.561) 1.793 18.108 ( 7.414 0.663 -0.471) 7.458 18.250 ( 1.058 2.800 0.333) 3.012 18.449 ( -4.743 1.568 -10.514) 11.640 18.706 ( 2.905 1.994 9.241) 9.890 19.396 ( -4.407 0.985 0.126) 4.518 20.020 ( 1.387 -1.871 -1.078) 2.567 20.116 ( 0.524 -1.722 1.666) 2.452 20.388 ( -1.209 -1.675 -0.163) 2.072 20.664 ( -2.977 -5.999 -1.435) 6.850 20.950 ( 2.228 2.978 -1.059) 3.867 21.093 ( -0.683 10.365 4.539) 11.336 ======================= Grid point 323 (153/172) ======================= q-point: (-0.40 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 16.222 4.900 6.611) 18.190 2.111 ( 6.781 5.375 5.777) 10.405 2.589 ( 2.641 3.800 -3.629) 5.881 2.646 ( -1.811 1.909 3.920) 4.721 2.902 ( -3.951 -7.845 -11.756) 14.675 2.967 ( 1.091 2.722 -0.027) 2.933 3.215 ( -2.981 3.117 4.374) 6.143 3.253 ( -1.334 5.446 -5.016) 7.523 3.565 ( -0.267 -3.062 -0.062) 3.074 3.755 ( -0.831 1.435 4.533) 4.827 3.906 ( 3.367 -3.545 0.362) 4.903 4.333 ( -0.341 -1.951 -1.751) 2.644 4.621 ( -5.173 -1.647 1.520) 5.638 4.691 ( -3.874 1.645 -1.725) 4.548 4.991 ( -2.556 -2.583 0.774) 3.716 5.296 ( 6.291 -2.534 8.424) 10.815 5.370 ( -7.246 -2.680 -3.292) 8.398 5.569 ( 3.414 -0.515 -7.254) 8.034 5.943 ( 5.269 -1.861 4.443) 7.139 6.065 ( 0.501 1.587 0.823) 1.856 6.141 ( 1.829 2.903 1.032) 3.583 6.224 ( -2.335 0.984 1.174) 2.793 6.541 ( 1.225 5.389 -5.349) 7.691 6.760 ( 2.563 -1.307 2.090) 3.556 6.876 ( -4.856 0.766 1.604) 5.171 7.138 ( -8.327 2.958 -3.791) 9.615 7.353 ( 3.669 1.258 4.926) 6.270 7.494 ( 6.814 0.287 -0.668) 6.852 7.694 ( -2.686 1.211 1.100) 3.145 7.751 ( -1.883 -1.027 1.088) 2.405 8.036 ( -0.694 0.701 7.451) 7.516 8.225 ( 11.443 0.579 1.375) 11.539 8.350 ( -0.014 0.185 -0.341) 0.389 8.507 ( 1.770 0.011 -4.029) 4.401 8.705 ( -5.408 0.444 -1.479) 5.624 8.936 ( -0.421 -0.303 -2.444) 2.499 9.146 ( -0.286 1.145 0.278) 1.213 9.481 ( -8.199 4.718 -0.677) 9.484 10.191 ( 6.553 -1.051 -6.456) 9.259 10.260 ( -3.567 -0.071 9.739) 10.372 10.819 ( -2.454 1.049 -3.149) 4.128 10.978 ( 0.639 -1.003 -4.926) 5.067 11.623 ( -0.946 -1.422 2.681) 3.179 11.896 ( 2.418 4.937 -2.664) 6.109 12.066 ( 0.026 -2.027 -0.861) 2.203 12.250 ( -0.094 1.424 10.693) 10.788 12.520 ( 2.855 2.115 1.952) 4.054 12.890 ( -1.297 1.077 -5.440) 5.695 13.347 ( -1.670 1.332 0.554) 2.207 13.433 ( 1.301 -1.948 -2.860) 3.697 13.684 ( 2.946 -3.417 4.365) 6.278 13.980 ( -3.237 -2.323 -2.525) 4.717 14.526 ( -1.871 3.247 5.235) 6.438 14.614 ( 0.952 -0.303 -5.887) 5.971 15.259 ( 2.629 0.432 1.378) 2.999 15.506 ( 3.508 2.541 -0.841) 4.412 15.794 ( -1.396 -1.551 -4.835) 5.266 16.686 ( -17.013 14.471 -0.461) 22.339 16.875 ( 7.225 7.078 1.773) 10.269 17.280 ( 0.949 -0.652 4.773) 4.910 17.656 ( 6.913 -1.449 0.899) 7.120 18.058 ( 2.396 4.347 -3.111) 5.858 18.303 ( 7.138 -0.064 -4.344) 8.356 18.394 ( 0.067 -3.018 -5.581) 6.345 18.739 ( 3.153 0.251 7.143) 7.812 19.316 ( -10.856 0.728 0.041) 10.880 20.030 ( -0.872 0.936 1.364) 1.870 20.089 ( -2.888 2.578 -0.631) 3.922 20.444 ( 3.773 -2.329 0.500) 4.462 20.717 ( -4.577 -1.814 -1.203) 5.068 20.932 ( 2.097 -0.077 -0.639) 2.193 20.973 ( -0.648 2.656 2.642) 3.802 ======================= Grid point 324 (154/172) ======================= q-point: (-0.30 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 19.050 8.633 4.818) 21.462 2.049 ( -0.566 8.890 12.379) 15.251 2.460 ( -4.314 9.487 -1.052) 10.475 2.529 ( -2.683 10.912 -2.323) 11.474 2.854 ( 3.656 6.599 -3.064) 8.143 2.974 ( -2.262 -2.341 -8.656) 9.248 3.103 ( -7.763 -1.795 -1.012) 8.032 3.151 ( -9.796 0.247 2.810) 10.194 3.715 ( 5.275 -6.133 0.576) 8.110 3.734 ( 1.628 3.138 5.818) 6.808 4.020 ( 8.822 -4.335 2.294) 10.093 4.365 ( 0.828 -2.575 -3.198) 4.188 4.578 ( -5.984 1.801 4.099) 7.473 4.635 ( -1.753 1.331 -4.315) 4.844 5.054 ( -0.806 -5.414 1.266) 5.618 5.328 ( -10.815 -4.054 0.191) 11.552 5.415 ( 7.464 1.328 3.729) 8.449 5.625 ( 0.393 -1.873 -2.746) 3.347 5.992 ( 5.034 1.314 -4.440) 6.840 6.020 ( 3.056 0.215 -4.147) 5.156 6.156 ( -4.921 -0.972 3.517) 6.127 6.187 ( 1.355 0.146 4.580) 4.778 6.457 ( 6.190 5.423 -2.108) 8.495 6.770 ( -4.659 2.422 -1.419) 5.439 6.838 ( -1.974 0.484 3.897) 4.395 6.982 ( -9.794 2.057 -3.020) 10.453 7.357 ( 6.781 4.137 0.795) 7.983 7.521 ( 1.256 1.981 2.006) 3.086 7.661 ( 0.694 0.730 0.334) 1.061 7.770 ( -2.323 -1.728 1.793) 3.405 8.029 ( -0.630 2.682 7.884) 8.351 8.245 ( -2.714 1.771 -3.017) 4.427 8.382 ( 11.131 0.971 3.150) 11.609 8.505 ( 2.221 0.493 -3.111) 3.854 8.654 ( -4.071 0.679 -0.173) 4.130 8.907 ( -2.397 0.987 -4.684) 5.354 9.121 ( -0.646 1.314 0.527) 1.556 9.291 ( -10.173 6.294 -1.463) 12.052 10.225 ( 4.746 0.658 -1.261) 4.955 10.309 ( -3.481 -3.781 7.524) 9.112 10.786 ( -0.572 0.260 -0.869) 1.072 10.951 ( -3.180 -0.422 -8.854) 9.417 11.651 ( 1.124 0.865 5.101) 5.294 11.820 ( 0.002 3.832 -4.036) 5.565 12.112 ( 3.409 -2.735 -1.692) 4.687 12.291 ( -5.974 -4.615 7.252) 10.468 12.547 ( 5.112 -0.375 6.627) 8.378 12.847 ( -3.046 -1.830 -8.493) 9.206 13.347 ( 0.860 -0.598 4.300) 4.426 13.459 ( 0.529 -1.717 -4.139) 4.512 13.796 ( 4.284 -3.408 4.601) 7.150 13.974 ( -2.396 -1.041 -3.146) 4.089 14.458 ( -1.227 4.655 5.703) 7.464 14.584 ( -0.602 1.069 -7.243) 7.346 15.248 ( 5.854 6.072 1.601) 8.585 15.473 ( -2.261 2.612 4.449) 5.633 15.780 ( -1.311 0.597 -1.936) 2.413 16.250 ( -23.023 11.606 -2.695) 25.923 16.829 ( 14.200 9.417 0.726) 17.054 17.283 ( -9.198 -0.209 4.599) 10.286 17.670 ( 2.621 3.097 4.045) 5.729 18.002 ( 0.868 2.373 -7.173) 7.605 18.311 ( 0.641 -0.237 -0.996) 1.208 18.439 ( 3.653 0.524 -7.307) 8.186 18.829 ( 8.228 -3.093 3.810) 9.581 19.215 ( -13.965 -0.906 2.178) 14.162 19.988 ( -2.445 3.431 3.880) 5.727 20.007 ( -0.557 3.936 -2.660) 4.783 20.509 ( 4.081 -1.312 -0.426) 4.308 20.648 ( -4.397 2.892 0.469) 5.284 20.971 ( -0.439 -2.388 4.658) 5.253 21.022 ( 0.684 -6.765 -4.536) 8.173 ======================= Grid point 325 (155/172) ======================= q-point: (-0.20 0.10 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 20.419 11.246 -1.435) 23.356 1.876 ( -10.037 11.168 9.171) 17.595 2.173 ( -12.759 16.491 14.282) 25.273 2.236 ( -0.324 14.599 -15.879) 21.573 2.790 ( 6.492 3.286 7.490) 10.442 2.960 ( -5.065 -2.420 -11.165) 12.497 3.124 ( -3.107 -3.488 2.775) 5.433 3.142 ( -5.436 -4.164 1.389) 6.987 3.703 ( 3.156 4.019 6.656) 8.391 3.781 ( -0.263 0.298 -4.479) 4.497 4.233 ( 12.230 -5.691 5.880) 14.715 4.406 ( -1.287 -3.230 -3.027) 4.610 4.513 ( -1.243 3.297 1.558) 3.853 4.569 ( -2.694 1.686 -5.077) 5.989 5.164 ( 4.267 -5.278 -1.836) 7.031 5.303 ( -13.061 -3.575 1.204) 13.595 5.446 ( 6.724 2.822 2.846) 7.828 5.545 ( -3.177 5.464 -1.339) 6.461 6.025 ( 4.839 -0.953 -5.732) 7.562 6.048 ( -2.462 -2.699 3.755) 5.239 6.173 ( 4.088 -2.873 -5.355) 7.324 6.225 ( -4.093 -1.389 5.080) 6.670 6.422 ( 7.060 4.799 1.700) 8.704 6.578 ( -9.132 8.486 -3.943) 13.074 6.862 ( 5.833 -1.860 -5.352) 8.132 6.942 ( -9.790 -3.611 7.987) 13.141 7.338 ( 10.117 5.347 -0.507) 11.454 7.468 ( -5.870 2.524 2.283) 6.785 7.673 ( 5.650 1.214 0.762) 5.829 7.769 ( -5.163 -0.762 0.428) 5.236 8.007 ( 1.357 3.088 6.966) 7.740 8.137 ( -7.265 2.745 -6.267) 9.980 8.478 ( 9.359 0.557 3.026) 9.852 8.500 ( 2.291 0.766 -2.237) 3.292 8.616 ( 1.135 2.657 4.507) 5.353 8.810 ( -8.282 2.604 -6.640) 10.930 9.093 ( -0.141 1.662 0.149) 1.675 9.133 ( -5.182 3.330 -0.602) 6.189 10.254 ( 3.224 0.586 6.254) 7.060 10.352 ( -3.446 -2.434 -2.856) 5.095 10.794 ( 0.310 -0.364 4.393) 4.419 10.887 ( -3.678 -0.187 -9.767) 10.438 11.641 ( 1.582 3.562 4.825) 6.203 11.717 ( -2.013 4.568 -5.336) 7.307 12.215 ( 6.015 -4.164 1.429) 7.453 12.341 ( -7.770 -5.072 -0.638) 9.301 12.698 ( 5.426 -7.667 11.872) 15.138 12.857 ( -3.781 -6.849 -9.358) 12.197 13.405 ( 1.487 -2.032 6.525) 6.994 13.471 ( -0.236 -1.918 -5.714) 6.032 13.894 ( 4.095 -1.619 3.428) 5.580 13.959 ( -0.964 -0.120 -2.590) 2.766 14.412 ( 2.177 2.715 5.041) 6.126 14.515 ( -3.541 1.293 -6.594) 7.595 15.163 ( 7.797 9.327 0.458) 12.166 15.341 ( -12.818 8.598 2.898) 15.705 15.773 ( 4.619 0.364 6.600) 8.064 15.984 ( -14.312 -0.356 -5.341) 15.280 16.803 ( 20.740 8.655 -0.150) 22.474 17.149 ( -20.558 2.840 1.476) 20.806 17.683 ( 6.816 3.064 9.695) 12.240 17.903 ( -5.922 2.646 -12.018) 13.656 18.309 ( -3.460 1.389 8.297) 9.097 18.369 ( 1.971 3.416 -12.331) 12.946 18.982 ( 11.012 -3.273 0.102) 11.488 19.151 ( -12.084 -1.871 4.106) 12.899 19.912 ( -0.529 4.560 1.754) 4.915 19.925 ( -0.668 4.104 -0.947) 4.265 20.557 ( 3.677 -1.360 -2.146) 4.469 20.597 ( -3.229 -0.407 1.645) 3.647 21.062 ( 0.427 -5.293 6.909) 8.714 21.128 ( -0.821 -7.467 -6.969) 10.247 ======================= Grid point 326 (156/172) ======================= q-point: (-0.10 0.10 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -2.945 10.284 -9.892) 14.570 1.568 ( 2.945 10.284 9.892) 14.570 1.910 ( 1.867 13.899 -20.624) 24.940 1.910 ( -1.867 13.899 20.624) 24.940 2.895 ( -4.108 -2.044 -19.088) 19.631 2.895 ( 4.108 -2.044 19.088) 19.631 3.163 ( -0.997 -0.683 -3.890) 4.074 3.163 ( 0.997 -0.683 3.890) 4.074 3.708 ( -4.436 2.089 -6.117) 7.840 3.708 ( 4.436 2.089 6.117) 7.840 4.387 ( -0.845 -0.184 -12.774) 12.804 4.387 ( 0.845 -0.184 12.774) 12.804 4.500 ( -2.828 0.833 -4.722) 5.566 4.500 ( 2.828 0.833 4.722) 5.566 5.277 ( 6.152 -2.420 -4.620) 8.065 5.277 ( -6.152 -2.420 4.620) 8.065 5.448 ( 0.944 1.767 -4.267) 4.714 5.448 ( -0.944 1.767 4.267) 4.714 6.058 ( -2.345 0.895 -4.958) 5.557 6.058 ( 2.345 0.895 4.958) 5.557 6.237 ( 1.452 -3.215 -4.150) 5.447 6.237 ( -1.452 -3.215 4.150) 5.447 6.390 ( -1.624 4.251 -1.584) 4.818 6.390 ( 1.624 4.251 1.584) 4.818 6.950 ( 10.725 -2.106 -8.628) 13.925 6.950 ( -10.725 -2.106 8.628) 13.925 7.353 ( -8.098 2.526 -3.218) 9.073 7.353 ( 8.098 2.526 3.218) 9.073 7.718 ( -7.277 0.399 -1.136) 7.376 7.718 ( 7.277 0.399 1.136) 7.376 8.008 ( -5.610 2.582 -5.937) 8.566 8.008 ( 5.610 2.582 5.937) 8.566 8.493 ( -0.324 1.312 -2.952) 3.247 8.493 ( 0.324 1.312 2.952) 3.247 8.654 ( -10.087 2.154 -9.016) 13.700 8.654 ( 10.087 2.154 9.016) 13.700 9.071 ( 3.300 1.210 -2.906) 4.560 9.071 ( -3.300 1.210 2.906) 4.560 10.309 ( -3.777 0.365 -9.750) 10.462 10.309 ( 3.777 0.365 9.750) 10.462 10.832 ( 0.170 -0.142 -10.631) 10.633 10.832 ( -0.170 -0.142 10.631) 10.633 11.605 ( -1.606 3.707 -4.143) 5.786 11.605 ( 1.606 3.706 4.143) 5.786 12.341 ( -5.562 -2.761 -4.619) 7.739 12.341 ( 5.562 -2.761 4.619) 7.739 12.951 ( -2.772 -10.365 -9.077) 14.054 12.951 ( 2.772 -10.365 9.077) 14.054 13.479 ( -0.427 -1.990 -6.635) 6.940 13.479 ( 0.427 -1.990 6.635) 6.940 13.939 ( -0.788 0.167 -2.887) 2.997 13.939 ( 0.788 0.167 2.887) 2.997 14.455 ( -2.239 -1.797 -7.460) 7.994 14.455 ( 2.239 -1.797 7.460) 7.994 15.080 ( -10.286 7.979 -0.172) 13.019 15.080 ( 10.286 7.979 0.172) 13.019 15.911 ( -10.493 -4.833 -7.417) 13.728 15.911 ( 10.493 -4.833 7.417) 13.728 16.878 ( -25.823 5.520 -1.368) 26.442 16.878 ( 25.823 5.520 1.368) 26.442 17.715 ( -8.241 5.730 -11.278) 15.098 17.715 ( 8.241 5.730 11.278) 15.098 18.301 ( 0.735 0.544 -11.352) 11.389 18.301 ( -0.735 0.544 11.352) 11.389 19.094 ( 2.384 0.059 -8.367) 8.700 19.094 ( -2.384 0.059 8.367) 8.700 19.848 ( -0.090 3.179 -1.883) 3.696 19.848 ( 0.090 3.179 1.883) 3.696 20.610 ( 3.174 -2.485 -2.035) 4.516 20.610 ( -3.174 -2.485 2.035) 4.516 21.214 ( 1.872 -7.110 -10.952) 13.191 21.214 ( -1.872 -7.110 10.952) 13.191 ======================= Grid point 330 (157/172) ======================= q-point: ( 0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 9.382 0.000 -19.123) 21.300 1.638 ( 4.654 0.000 -26.292) 26.701 1.726 ( 17.242 0.000 10.418) 20.144 2.278 ( 7.906 0.000 -9.364) 12.256 2.412 ( 27.378 0.000 2.451) 27.487 3.237 ( 8.693 0.000 2.930) 9.173 3.293 ( 8.115 0.000 -1.709) 8.293 3.380 ( -11.623 -0.000 -2.286) 11.845 3.491 ( 5.734 0.000 -11.222) 12.602 3.751 ( -7.039 -0.000 11.173) 13.205 4.000 ( -7.945 -0.000 -12.064) 14.445 4.252 ( -7.051 -0.000 -0.889) 7.107 4.435 ( 0.540 0.000 1.910) 1.985 4.707 ( -1.670 -0.000 21.429) 21.494 5.114 ( -3.894 -0.000 -0.506) 3.927 5.274 ( -6.845 -0.000 -4.997) 8.475 5.412 ( 2.881 0.000 2.415) 3.759 5.701 ( 12.281 0.000 -2.059) 12.453 5.859 ( 2.853 0.000 -1.331) 3.149 6.073 ( -10.172 -0.000 -5.668) 11.644 6.185 ( -2.472 -0.000 -9.061) 9.392 6.300 ( 10.305 0.000 2.582) 10.624 6.395 ( 0.213 0.000 10.437) 10.439 6.739 ( 4.037 0.000 14.882) 15.420 6.780 ( -8.846 -0.000 -7.213) 11.414 7.108 ( 14.045 0.000 1.560) 14.131 7.313 ( 11.208 0.000 1.838) 11.358 7.467 ( 2.949 0.000 -6.181) 6.848 7.485 ( -3.356 -0.000 2.042) 3.928 7.879 ( -1.295 -0.000 -4.477) 4.661 7.902 ( 4.188 0.000 -0.825) 4.269 8.050 ( -10.961 -0.000 -9.368) 14.419 8.321 ( 7.561 0.000 -0.881) 7.612 8.393 ( -0.690 -0.000 -0.926) 1.155 8.767 ( 9.100 0.000 12.814) 15.717 8.883 ( -1.849 -0.000 3.181) 3.679 9.094 ( 8.389 0.000 -0.959) 8.443 9.198 ( 1.035 0.000 2.645) 2.840 10.145 ( 3.348 0.000 -4.908) 5.942 10.692 ( 4.606 0.000 5.734) 7.355 10.771 ( 4.241 0.000 -8.797) 9.766 10.921 ( -4.628 -0.000 1.833) 4.978 11.594 ( -0.015 -0.000 2.310) 2.310 11.946 ( 17.746 0.000 25.877) 31.378 12.183 ( -2.664 -0.000 -8.168) 8.591 12.615 ( 5.176 0.000 1.905) 5.515 12.919 ( -11.418 -0.000 -11.547) 16.239 13.204 ( 0.448 0.000 3.098) 3.130 13.375 ( -1.942 -0.000 -7.279) 7.534 13.533 ( -1.356 -0.000 -0.983) 1.675 13.812 ( -6.345 -0.000 4.173) 7.594 13.983 ( -2.891 -0.000 2.742) 3.985 14.198 ( -6.145 -0.000 -8.412) 10.417 14.307 ( -6.022 -0.000 6.764) 9.056 15.305 ( 14.303 0.000 -6.982) 15.916 15.402 ( -6.886 -0.000 -17.440) 18.750 15.616 ( 32.426 0.000 -1.671) 32.469 16.068 ( 8.507 0.000 -3.232) 9.100 17.084 ( 3.347 0.000 10.255) 10.788 17.140 ( 18.892 0.000 -10.632) 21.678 17.796 ( 6.032 0.000 6.430) 8.817 17.868 ( -6.104 -0.000 -10.233) 11.916 18.151 ( 26.812 0.000 13.614) 30.070 18.581 ( -0.310 -0.000 5.698) 5.706 19.117 ( 0.588 0.000 4.308) 4.348 19.132 ( 15.279 0.000 -21.242) 26.166 19.762 ( 1.948 0.000 -2.740) 3.362 19.877 ( 1.946 0.000 1.061) 2.216 20.441 ( -14.574 -0.000 5.321) 15.515 20.603 ( -4.965 -0.000 -0.758) 5.023 21.266 ( -0.592 -0.000 7.359) 7.383 21.609 ( -0.561 -0.000 5.096) 5.126 ======================= Grid point 331 (158/172) ======================= q-point: ( 0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 13.331 -1.508 -14.036) 19.416 1.628 ( 12.907 -7.350 -20.533) 25.342 1.958 ( 11.945 -6.162 2.088) 13.602 2.352 ( 11.216 -3.593 -7.634) 14.035 2.645 ( 21.780 0.393 10.067) 23.997 3.193 ( -9.873 2.241 -5.126) 11.348 3.338 ( 0.387 -0.623 -2.276) 2.391 3.367 ( 6.281 0.579 1.946) 6.601 3.456 ( 1.203 0.566 -9.737) 9.827 3.732 ( -2.999 2.063 6.702) 7.627 3.934 ( -3.515 -3.186 -7.019) 8.472 4.215 ( -6.658 -1.956 1.003) 7.011 4.467 ( 2.826 -1.121 1.769) 3.517 4.749 ( -3.916 1.233 13.309) 13.928 5.096 ( -3.229 -0.449 -0.923) 3.388 5.191 ( -5.184 0.930 -2.101) 5.670 5.466 ( 2.751 -1.745 0.989) 3.405 5.780 ( 9.959 1.301 0.965) 10.090 5.851 ( 0.841 1.799 -0.728) 2.115 6.019 ( -4.161 -3.587 -6.410) 8.442 6.113 ( -2.418 1.590 -8.985) 9.440 6.323 ( 3.712 2.453 6.111) 7.560 6.560 ( 1.541 -5.017 1.367) 5.423 6.662 ( 2.929 1.890 7.928) 8.660 6.823 ( 0.762 -0.421 3.565) 3.670 7.214 ( 11.901 2.080 4.149) 12.774 7.397 ( 5.446 -0.379 6.995) 8.873 7.458 ( 1.883 0.873 -1.963) 2.857 7.502 ( 0.774 -1.653 0.352) 1.859 7.821 ( -3.636 0.679 -8.483) 9.254 7.920 ( -4.712 -0.064 -6.017) 7.643 7.975 ( 0.960 -2.467 0.255) 2.659 8.374 ( 4.373 0.083 -0.524) 4.405 8.408 ( 2.678 -2.010 -3.569) 4.893 8.864 ( -0.285 0.351 4.910) 4.930 8.875 ( 1.615 0.790 7.618) 7.828 9.164 ( 6.308 -0.049 -1.329) 6.447 9.249 ( 4.418 -3.339 4.442) 7.099 10.159 ( 3.254 -0.170 -2.591) 4.163 10.636 ( 0.331 5.781 -6.986) 9.074 10.824 ( 2.271 -3.364 -3.627) 5.443 10.910 ( -1.759 -0.263 3.915) 4.300 11.604 ( -0.604 -0.298 2.062) 2.169 12.094 ( -5.817 0.388 -4.916) 7.626 12.206 ( 17.998 1.961 23.428) 29.608 12.615 ( -2.372 6.106 -1.437) 6.706 12.725 ( -0.566 5.188 -7.254) 8.936 13.207 ( -0.038 2.007 4.050) 4.520 13.309 ( -2.860 1.447 -6.622) 7.357 13.521 ( -2.572 -1.518 -5.692) 6.428 13.782 ( -4.387 4.547 5.441) 8.338 13.837 ( -0.421 4.781 0.240) 4.805 14.285 ( -1.168 -7.446 -1.516) 7.688 14.334 ( -2.264 -6.093 3.566) 7.414 15.230 ( -6.054 1.099 -18.160) 19.174 15.396 ( 4.128 -3.876 -10.684) 12.091 15.829 ( 31.774 7.201 -1.176) 32.601 16.334 ( 29.795 -12.359 -0.792) 32.266 16.993 ( 15.075 11.906 5.256) 19.916 17.292 ( 4.647 -2.172 -3.837) 6.405 17.731 ( -2.121 3.210 -2.454) 4.564 17.928 ( 4.029 -3.790 0.277) 5.539 18.428 ( 12.648 -2.538 10.750) 16.793 18.569 ( -1.846 2.416 4.021) 5.042 19.000 ( 5.614 8.988 -5.857) 12.108 19.304 ( 8.944 -7.002 -6.270) 12.974 19.797 ( 4.405 -2.911 -3.598) 6.389 19.900 ( 1.811 -0.641 0.885) 2.115 20.355 ( -14.258 -1.631 5.153) 15.248 20.558 ( -6.296 -0.549 -0.489) 6.339 21.241 ( 2.448 6.056 4.030) 7.675 21.571 ( -1.450 5.103 6.154) 8.125 ======================= Grid point 332 (159/172) ======================= q-point: ( 0.40 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 16.974 0.873 -6.563) 18.220 1.917 ( 17.015 -15.718 -13.012) 26.569 2.138 ( 7.125 -5.904 -2.311) 9.537 2.501 ( 8.578 -5.093 -1.032) 10.029 2.784 ( 9.519 3.702 6.615) 12.169 3.074 ( -6.320 0.538 -2.182) 6.707 3.317 ( -4.769 -1.777 -3.745) 6.319 3.356 ( 1.869 0.260 -11.739) 11.890 3.472 ( 1.536 -0.019 8.396) 8.535 3.704 ( 3.533 2.658 1.626) 4.710 3.972 ( 1.211 -2.324 -2.171) 3.403 4.204 ( -8.401 -2.622 1.718) 8.967 4.518 ( 1.658 -1.389 1.584) 2.681 4.716 ( -4.515 1.807 4.907) 6.908 5.048 ( -2.478 1.697 -2.957) 4.215 5.169 ( -2.173 -1.273 2.953) 3.881 5.484 ( 1.110 1.762 -2.817) 3.503 5.801 ( 0.874 1.348 -2.460) 2.938 5.823 ( -3.115 0.713 0.510) 3.236 6.005 ( -1.286 0.171 -8.831) 8.926 6.101 ( 6.539 -2.500 -1.134) 7.092 6.375 ( 4.558 -1.206 8.194) 9.454 6.514 ( 1.275 5.668 8.479) 10.278 6.805 ( 3.019 -0.627 -0.959) 3.229 6.839 ( 1.440 -3.618 1.497) 4.172 7.258 ( 7.176 2.970 5.988) 9.807 7.393 ( -6.046 2.178 -2.712) 6.975 7.499 ( 6.716 0.089 2.225) 7.075 7.565 ( 2.245 -3.373 6.886) 7.990 7.761 ( -2.506 -0.735 -6.500) 7.005 7.894 ( -3.820 -3.211 0.256) 4.997 8.061 ( 7.751 -2.467 -0.512) 8.150 8.385 ( 0.408 0.356 -0.364) 0.653 8.457 ( 4.600 -1.693 -5.570) 7.420 8.826 ( -5.926 1.043 2.114) 6.378 8.904 ( 1.548 1.113 3.776) 4.230 9.190 ( 3.532 0.817 0.858) 3.726 9.397 ( 5.866 -5.136 3.715) 8.637 10.179 ( 1.302 -0.214 1.212) 1.792 10.487 ( 0.170 6.209 -12.158) 13.653 10.859 ( -1.166 -2.084 -5.384) 5.890 10.931 ( 1.675 0.170 5.242) 5.505 11.606 ( -1.427 0.090 1.712) 2.231 11.998 ( -7.783 -0.456 -10.434) 13.025 12.370 ( 14.358 7.740 22.818) 28.048 12.405 ( -1.143 8.532 0.141) 8.609 12.688 ( 5.475 3.649 -1.465) 6.741 13.122 ( -2.222 6.059 -0.842) 6.508 13.294 ( 0.491 -2.016 -0.015) 2.075 13.485 ( -3.590 -0.092 -7.653) 8.454 13.660 ( 0.586 6.072 3.987) 7.288 13.839 ( -2.805 -2.405 1.121) 3.862 14.388 ( 1.896 -5.129 1.768) 5.747 14.471 ( -0.748 -7.679 0.141) 7.717 15.134 ( -6.009 -2.833 -12.365) 14.037 15.428 ( -2.986 -4.682 -12.740) 13.898 15.920 ( 30.352 9.557 -0.972) 31.836 16.846 ( 37.032 -11.492 0.512) 38.777 16.984 ( 17.827 6.354 5.688) 19.762 17.292 ( 0.091 2.007 -2.824) 3.465 17.632 ( -7.991 3.443 -0.923) 8.750 18.039 ( 6.943 -3.558 0.076) 7.802 18.436 ( -3.627 5.679 2.104) 7.059 18.555 ( 3.629 2.699 0.278) 4.531 18.870 ( 4.097 7.816 -0.583) 8.844 19.409 ( 0.030 -1.410 -0.057) 1.411 19.904 ( 5.320 -4.564 -4.162) 8.152 19.960 ( 3.566 -4.353 1.808) 5.911 20.312 ( -9.959 -2.856 1.833) 10.521 20.524 ( -7.063 -2.071 0.142) 7.361 21.151 ( 4.956 7.836 0.773) 9.304 21.463 ( -1.779 8.583 6.291) 10.789 ======================= Grid point 333 (160/172) ======================= q-point: ( 0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 17.455 0.576 2.722) 17.675 2.203 ( 16.374 -0.936 -5.731) 17.373 2.340 ( 2.761 -17.772 -7.558) 19.509 2.616 ( 0.049 -1.948 4.093) 4.533 2.754 ( 3.676 2.936 -3.028) 5.595 3.039 ( -1.562 1.266 1.867) 2.744 3.275 ( 0.714 2.719 -3.899) 4.807 3.387 ( -2.206 -8.134 -8.214) 11.768 3.522 ( 3.648 2.807 10.850) 11.786 3.707 ( 2.861 0.179 3.548) 4.561 3.957 ( -0.058 4.592 -2.630) 5.292 4.188 ( -10.177 -4.918 -2.073) 11.491 4.546 ( -1.815 -1.170 2.263) 3.128 4.685 ( -3.230 -0.854 -0.238) 3.349 4.998 ( 1.002 1.818 -2.328) 3.119 5.211 ( -1.165 -2.679 6.083) 6.748 5.403 ( -1.680 4.965 -2.132) 5.658 5.698 ( -2.497 4.842 -9.744) 11.164 5.833 ( -0.413 -3.091 1.850) 3.626 6.001 ( 0.043 -2.664 -3.764) 4.612 6.209 ( 8.474 -1.144 2.185) 8.825 6.402 ( 1.964 7.505 14.881) 16.782 6.553 ( 6.512 -3.191 2.956) 7.832 6.786 ( 1.091 1.865 -2.854) 3.579 6.878 ( -2.905 -0.922 -3.216) 4.431 7.227 ( -7.168 3.015 -5.297) 9.409 7.352 ( 4.985 -0.083 8.592) 9.933 7.520 ( 1.888 0.810 0.066) 2.056 7.682 ( 4.335 -2.376 4.579) 6.738 7.738 ( -3.656 -0.381 -2.151) 4.259 7.963 ( -0.038 -4.250 6.310) 7.608 8.178 ( 9.245 -2.970 -1.795) 9.875 8.373 ( 0.742 1.060 0.121) 1.300 8.493 ( 3.731 -1.011 -5.176) 6.460 8.755 ( -5.433 2.020 0.300) 5.804 8.903 ( -1.803 -0.350 0.300) 1.861 9.202 ( 3.521 1.667 1.356) 4.125 9.511 ( 0.110 -2.719 1.804) 3.265 10.191 ( -0.522 0.410 3.918) 3.974 10.349 ( 2.058 4.475 -10.906) 11.967 10.847 ( -0.559 -0.059 -5.491) 5.520 10.956 ( 0.218 -0.004 2.223) 2.233 11.599 ( -0.681 0.160 2.276) 2.381 11.922 ( -6.180 -1.937 -9.290) 11.325 12.244 ( 5.399 9.758 2.778) 11.493 12.417 ( 3.973 7.042 15.860) 17.802 12.657 ( 5.886 4.952 3.007) 8.259 13.004 ( -0.974 4.826 -2.545) 5.542 13.347 ( 0.968 -2.665 0.210) 2.843 13.412 ( -3.158 1.547 -6.264) 7.183 13.621 ( 2.058 1.388 3.776) 4.520 13.864 ( -3.695 -3.194 -0.486) 4.908 14.499 ( 2.987 -4.027 0.085) 5.015 14.568 ( -1.356 -3.824 0.324) 4.070 15.133 ( -5.038 -5.640 -3.622) 8.385 15.428 ( -5.569 -5.875 -13.734) 15.942 15.974 ( 28.204 11.121 -0.932) 30.332 17.032 ( 15.198 4.688 5.927) 16.973 17.149 ( -5.334 7.280 -1.027) 9.083 17.314 ( 19.277 -1.033 0.602) 19.314 17.522 ( -0.008 -2.095 0.491) 2.151 18.134 ( 1.705 -2.100 -4.231) 5.022 18.325 ( 1.778 3.683 0.835) 4.175 18.491 ( 5.737 6.776 -3.687) 9.614 18.800 ( 1.333 3.798 4.396) 5.960 19.367 ( -8.832 1.730 0.715) 9.028 19.985 ( 2.613 -3.010 -1.767) 4.361 20.081 ( 0.595 -3.631 2.223) 4.299 20.320 ( -1.845 -4.194 -1.496) 4.820 20.528 ( -6.555 -4.785 0.390) 8.125 21.065 ( 5.527 6.815 -0.240) 8.778 21.292 ( -2.829 10.895 4.990) 12.313 ======================= Grid point 334 (161/172) ======================= q-point: ( 0.60 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 17.090 1.528 9.523) 19.624 2.254 ( 6.005 2.189 -3.494) 7.284 2.608 ( 3.262 -10.770 -9.883) 14.977 2.630 ( -6.205 -2.939 5.624) 8.875 2.743 ( 8.718 3.869 -3.834) 10.280 3.002 ( -2.487 2.042 0.749) 3.304 3.247 ( 2.605 1.154 -0.672) 2.927 3.409 ( -1.853 7.601 -2.801) 8.310 3.512 ( 1.522 -1.390 4.708) 5.140 3.750 ( -2.617 0.667 -1.023) 2.887 3.880 ( 2.035 -2.116 3.032) 4.220 4.202 ( -8.670 -6.563 -5.322) 12.107 4.564 ( -2.594 -1.514 4.272) 5.222 4.667 ( -3.316 -0.224 -2.681) 4.270 4.984 ( 2.965 1.175 0.268) 3.200 5.244 ( -9.144 -1.262 -0.411) 9.240 5.355 ( 5.756 -0.573 6.447) 8.662 5.582 ( 0.514 1.957 -8.840) 9.068 5.921 ( 3.607 -4.141 -0.051) 5.491 6.039 ( -2.270 -2.821 0.172) 3.625 6.252 ( 2.540 4.082 5.918) 7.624 6.330 ( 4.931 8.037 6.236) 11.305 6.615 ( 3.650 2.274 -2.728) 5.093 6.760 ( 0.610 -0.824 -0.710) 1.247 6.861 ( -2.055 -0.147 1.791) 2.730 7.079 ( -10.046 2.067 -9.227) 13.796 7.445 ( 5.992 0.609 8.753) 10.625 7.540 ( 4.915 -0.947 1.617) 5.260 7.674 ( -7.351 1.846 2.153) 7.879 7.742 ( 2.195 -0.689 -2.444) 3.357 8.061 ( 1.043 -2.012 9.024) 9.305 8.259 ( 0.970 -1.790 -5.373) 5.745 8.390 ( 7.303 0.312 1.296) 7.424 8.516 ( 2.956 -0.238 -2.449) 3.847 8.685 ( -2.202 1.730 0.059) 2.801 8.891 ( -3.813 -1.234 -2.047) 4.500 9.198 ( 3.832 2.777 1.269) 4.900 9.480 ( -8.087 2.867 -0.855) 8.623 10.204 ( 3.763 -0.370 -0.936) 3.895 10.285 ( -0.430 1.524 0.424) 1.639 10.817 ( 1.174 1.168 -4.559) 4.851 10.942 ( -3.411 0.190 -1.866) 3.893 11.626 ( 2.654 -1.008 4.538) 5.353 11.882 ( -4.810 -1.881 -7.464) 9.077 12.155 ( 5.812 6.997 4.203) 10.020 12.343 ( -2.272 6.087 5.867) 8.754 12.639 ( 5.744 4.946 8.333) 11.265 12.903 ( -1.041 4.031 -6.449) 7.676 13.353 ( -1.232 0.668 -1.850) 2.321 13.391 ( 0.018 -2.075 -1.827) 2.765 13.672 ( 3.814 -2.327 4.258) 6.172 13.883 ( -4.552 -3.261 -2.181) 6.009 14.559 ( -0.646 -0.525 3.201) 3.307 14.590 ( 0.224 -0.693 -4.201) 4.264 15.214 ( -1.874 -6.148 4.156) 7.654 15.445 ( -4.645 -6.357 -12.399) 14.687 15.973 ( 23.758 12.339 -0.852) 26.785 16.792 ( -22.151 15.888 0.298) 27.261 17.094 ( 14.201 5.279 1.032) 15.185 17.313 ( -2.685 2.637 5.536) 6.694 17.712 ( 14.051 -2.307 0.177) 14.240 18.081 ( -4.543 1.678 -8.170) 9.498 18.382 ( 10.026 -1.961 0.280) 10.220 18.423 ( 9.745 6.353 -0.539) 11.645 18.784 ( 1.207 0.864 3.757) 4.039 19.229 ( -16.074 1.955 -0.013) 16.193 20.033 ( 0.874 -0.910 0.088) 1.265 20.094 ( -3.078 0.547 0.578) 3.180 20.416 ( 4.180 -4.868 -0.437) 6.431 20.585 ( -5.347 -6.397 -0.614) 8.360 20.998 ( 4.036 5.009 -0.553) 6.456 21.096 ( -2.903 9.629 3.522) 10.656 ======================= Grid point 335 (162/172) ======================= q-point: (-0.30 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 17.614 4.884 9.373) 20.542 2.191 ( -4.488 5.043 -1.632) 6.945 2.613 ( -2.043 5.871 6.436) 8.948 2.657 ( 3.925 3.835 -8.051) 9.743 2.790 ( 4.677 -4.554 -2.946) 7.161 2.955 ( -6.082 -2.125 -1.382) 6.589 3.140 ( -1.449 14.333 -6.437) 15.779 3.168 ( -5.956 7.673 3.382) 10.285 3.647 ( 5.744 -7.166 4.385) 10.177 3.742 ( -2.812 -3.064 -0.725) 4.221 4.021 ( 8.924 -5.209 3.439) 10.891 4.224 ( -9.369 -6.570 -5.691) 12.780 4.580 ( -2.110 0.181 5.865) 6.235 4.625 ( -1.760 0.746 -4.055) 4.483 5.017 ( 4.575 -1.292 3.376) 5.831 5.173 ( -9.619 -1.955 -4.528) 10.809 5.484 ( 4.678 -2.774 9.028) 10.539 5.572 ( 2.324 -2.313 -7.808) 8.468 5.998 ( 1.323 -1.780 -0.899) 2.393 6.037 ( -2.816 1.177 -1.764) 3.525 6.195 ( 1.511 4.590 6.887) 8.414 6.242 ( 0.585 4.690 -0.463) 4.749 6.603 ( 9.869 3.721 -0.119) 10.548 6.762 ( -4.933 1.039 0.632) 5.081 6.851 ( -1.129 0.838 3.293) 3.581 6.925 ( -7.744 2.155 -7.764) 11.176 7.481 ( 7.324 2.550 -0.287) 7.761 7.577 ( -4.544 3.493 3.114) 6.523 7.646 ( 2.664 -3.093 5.173) 6.590 7.740 ( -1.434 -0.483 -3.177) 3.519 8.107 ( 0.964 1.673 9.601) 9.793 8.220 ( -3.497 1.238 -8.057) 8.870 8.462 ( 7.110 -0.972 -1.657) 7.365 8.521 ( -1.443 0.096 1.103) 1.819 8.684 ( 6.729 1.219 3.328) 7.605 8.857 ( -6.378 -0.413 -4.317) 7.713 9.179 ( 4.205 3.508 1.242) 5.615 9.310 ( -10.011 5.770 -1.767) 11.690 10.251 ( 8.145 -1.150 -10.005) 12.952 10.276 ( -6.062 -0.441 12.564) 13.957 10.800 ( 2.914 0.948 -1.521) 3.421 10.886 ( -5.362 0.416 -4.202) 6.825 11.701 ( 4.567 -0.803 6.701) 8.149 11.833 ( -4.042 0.469 -6.688) 7.829 12.133 ( 5.844 2.123 2.258) 6.615 12.242 ( -5.908 2.437 1.420) 6.546 12.646 ( 4.982 3.025 10.011) 11.584 12.794 ( -2.940 2.494 -9.787) 10.519 13.359 ( 1.148 -0.828 3.165) 3.467 13.410 ( -0.841 -1.785 -3.793) 4.276 13.781 ( 4.601 -3.768 3.998) 7.166 13.889 ( -4.857 -3.103 -3.272) 6.627 14.540 ( -2.379 2.687 7.427) 8.249 14.574 ( 1.431 0.903 -8.391) 8.560 15.331 ( 2.550 -3.283 7.675) 8.728 15.459 ( -3.650 -3.125 -8.958) 10.165 15.929 ( 18.997 11.428 0.187) 22.170 16.302 ( -24.567 16.153 -1.014) 29.419 17.092 ( 13.625 7.049 -1.670) 15.431 17.251 ( -8.949 2.826 5.146) 10.703 17.784 ( 7.106 2.753 5.515) 9.407 17.970 ( -6.305 1.823 -10.376) 12.277 18.411 ( 6.888 4.709 5.827) 10.177 18.469 ( 6.593 0.901 -5.896) 8.890 18.844 ( 8.263 -2.962 1.029) 8.838 19.074 ( -17.900 -0.984 0.991) 17.955 20.032 ( -0.724 1.575 2.406) 2.966 20.048 ( -0.799 2.214 -1.840) 2.988 20.522 ( 5.366 -2.222 0.302) 5.816 20.619 ( -6.034 -2.031 -0.711) 6.406 20.961 ( 2.485 0.919 -1.887) 3.253 20.977 ( -1.772 2.336 2.984) 4.184 ======================= Grid point 336 (163/172) ======================= q-point: (-0.20 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( -16.560 9.651 -0.406) 19.172 1.971 ( 16.560 9.651 0.406) 19.172 2.456 ( 3.046 14.476 -14.821) 20.940 2.456 ( -3.046 14.476 14.821) 20.940 2.888 ( 6.856 0.889 -4.326) 8.155 2.888 ( -6.856 0.889 4.326) 8.155 3.048 ( 1.710 -2.004 -0.979) 2.811 3.048 ( -1.710 -2.004 0.979) 2.811 3.766 ( 0.633 -1.007 -2.314) 2.602 3.766 ( -0.633 -1.007 2.314) 2.602 4.237 ( -9.314 -6.831 -6.837) 13.422 4.237 ( 9.314 -6.831 6.837) 13.422 4.574 ( 0.378 2.047 -6.810) 7.121 4.574 ( -0.378 2.047 6.810) 7.121 5.135 ( -7.374 -4.127 -3.966) 9.334 5.135 ( 7.374 -4.127 3.966) 9.334 5.560 ( -4.789 1.404 -4.169) 6.503 5.560 ( 4.789 1.404 4.169) 6.503 6.006 ( 5.011 -0.613 -7.529) 9.065 6.006 ( -5.011 -0.613 7.529) 9.065 6.190 ( 1.332 0.432 -5.173) 5.359 6.190 ( -1.332 0.432 5.173) 5.359 6.613 ( -10.078 6.051 -3.166) 12.174 6.613 ( 10.078 6.051 3.166) 12.174 6.861 ( 3.401 -0.799 -6.456) 7.341 6.861 ( -3.401 -0.799 6.456) 7.341 7.481 ( 3.089 3.478 -5.644) 7.314 7.481 ( -3.089 3.478 5.644) 7.314 7.720 ( -3.598 -0.714 -1.955) 4.156 7.720 ( 3.598 -0.714 1.955) 4.156 8.115 ( -3.306 3.043 -8.923) 9.990 8.115 ( 3.306 3.043 8.923) 9.990 8.510 ( 3.610 -0.359 -4.643) 5.892 8.510 ( -3.610 -0.359 4.643) 5.892 8.750 ( -10.414 2.256 -6.430) 12.445 8.750 ( 10.414 2.256 6.430) 12.445 9.155 ( -4.238 3.697 -1.486) 5.817 9.155 ( 4.238 3.697 1.486) 5.817 10.289 ( 5.530 -1.138 -10.906) 12.281 10.289 ( -5.530 -1.138 10.906) 12.281 10.824 ( -0.716 0.066 -7.303) 7.338 10.824 ( 0.716 0.066 7.303) 7.338 11.746 ( -2.997 2.923 -6.808) 7.992 11.746 ( 2.997 2.923 6.808) 7.992 12.198 ( 0.205 -3.174 -4.938) 5.874 12.198 ( -0.205 -3.174 4.938) 5.874 12.708 ( -4.545 -1.327 -10.666) 11.670 12.708 ( 4.545 -1.327 10.666) 11.670 13.411 ( -0.712 -1.561 -6.110) 6.346 13.411 ( 0.712 -1.561 6.110) 6.346 13.894 ( -1.731 -3.021 -5.451) 6.468 13.894 ( 1.731 -3.021 5.451) 6.468 14.509 ( -0.640 3.053 -7.539) 8.158 14.509 ( 0.640 3.053 7.539) 8.158 15.389 ( -2.736 4.774 -6.336) 8.391 15.389 ( 2.736 4.774 6.336) 8.391 15.906 ( -14.838 6.769 -3.681) 16.720 15.906 ( 14.838 6.769 3.681) 16.720 17.083 ( -16.373 6.022 2.104) 17.572 17.083 ( 16.373 6.022 -2.104) 17.572 17.833 ( -7.327 2.136 -11.781) 14.037 17.833 ( 7.327 2.136 11.781) 14.037 18.398 ( -0.075 4.095 -11.165) 11.893 18.398 ( 0.075 4.095 11.165) 11.893 19.004 ( -13.052 -4.091 2.025) 13.827 19.004 ( 13.052 -4.091 -2.025) 13.827 19.989 ( 1.108 3.579 -3.461) 5.101 19.989 ( -1.108 3.579 3.461) 5.101 20.575 ( -0.941 0.501 -2.130) 2.382 20.575 ( 0.941 0.501 2.130) 2.382 20.999 ( 2.300 -4.104 -7.032) 8.460 20.999 ( -2.300 -4.104 7.032) 8.460 ======================= Grid point 342 (164/172) ======================= q-point: ( 0.30 0.30 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 17.988 0.000 -12.064) 21.658 1.587 ( 14.834 0.000 -18.401) 23.636 2.057 ( 14.812 0.000 4.304) 15.425 2.391 ( 12.880 0.000 -6.149) 14.272 2.850 ( 15.786 0.000 6.973) 17.257 3.070 ( -15.477 -0.000 -2.335) 15.653 3.302 ( -7.513 -0.000 -9.146) 11.836 3.403 ( -1.872 -0.000 -2.433) 3.070 3.468 ( 9.547 0.000 3.147) 10.053 3.793 ( 2.141 0.000 4.950) 5.393 3.825 ( -1.700 -0.000 -9.143) 9.299 4.144 ( -6.331 -0.000 -0.187) 6.334 4.507 ( 7.300 0.000 0.708) 7.334 4.790 ( -2.909 -0.000 11.921) 12.271 5.080 ( -0.735 -0.000 0.266) 0.782 5.150 ( -4.330 -0.000 -1.699) 4.651 5.487 ( 2.332 0.000 5.226) 5.723 5.793 ( -4.642 -0.000 0.607) 4.681 5.883 ( -6.560 -0.000 -6.277) 9.080 5.980 ( 11.781 0.000 -4.285) 12.536 6.096 ( 3.431 0.000 -3.190) 4.685 6.432 ( -1.510 -0.000 3.609) 3.913 6.508 ( 11.621 0.000 2.037) 11.799 6.724 ( 2.590 0.000 4.683) 5.351 6.842 ( -0.319 -0.000 3.692) 3.706 7.361 ( 10.671 0.000 4.837) 11.716 7.419 ( -3.145 -0.000 8.733) 9.282 7.473 ( 2.926 0.000 -2.455) 3.819 7.534 ( 4.531 0.000 5.587) 7.194 7.741 ( -4.726 -0.000 -14.140) 14.909 7.823 ( -11.651 -0.000 0.419) 11.659 7.997 ( 7.307 0.000 -0.502) 7.325 8.380 ( 0.936 0.000 -2.835) 2.986 8.427 ( 6.701 0.000 -3.129) 7.396 8.845 ( -4.785 -0.000 3.080) 5.691 8.945 ( 0.988 0.000 6.625) 6.698 9.233 ( 10.511 0.000 -4.133) 11.294 9.257 ( 1.573 0.000 9.336) 9.468 10.174 ( 2.774 0.000 -1.484) 3.146 10.632 ( -7.479 -0.000 -9.759) 12.295 10.782 ( 5.437 0.000 -7.392) 9.176 10.940 ( 1.022 0.000 7.485) 7.554 11.605 ( -0.530 -0.000 1.802) 1.878 11.994 ( -9.803 -0.000 -10.706) 14.516 12.464 ( 12.870 0.000 25.365) 28.444 12.693 ( 3.771 0.000 -1.012) 3.904 12.720 ( -0.581 -0.000 -0.894) 1.066 13.236 ( -0.715 -0.000 5.546) 5.592 13.273 ( -3.802 -0.000 -5.929) 7.044 13.460 ( -1.483 -0.000 -8.379) 8.509 13.791 ( -1.654 -0.000 6.091) 6.312 13.983 ( -1.411 -0.000 6.353) 6.508 14.139 ( 3.956 0.000 -5.928) 7.127 14.286 ( -3.479 -0.000 5.016) 6.105 15.120 ( -5.876 -0.000 -19.274) 20.150 15.286 ( -2.478 -0.000 -15.683) 15.877 16.302 ( 47.449 0.000 0.818) 47.456 16.415 ( 31.911 0.000 -0.543) 31.915 17.198 ( 0.854 0.000 10.965) 10.999 17.317 ( 12.504 0.000 -8.699) 15.232 17.711 ( -5.810 -0.000 -5.729) 8.160 17.921 ( 3.511 0.000 5.020) 6.126 18.567 ( 9.915 0.000 9.415) 13.673 18.586 ( -4.264 -0.000 4.095) 5.912 19.179 ( 4.222 0.000 2.473) 4.893 19.222 ( 14.542 0.000 -17.106) 22.452 19.794 ( 5.374 0.000 -3.733) 6.544 19.913 ( 1.654 0.000 0.049) 1.655 20.234 ( -16.205 -0.000 7.150) 17.712 20.490 ( -8.765 -0.000 0.113) 8.765 21.347 ( 3.519 0.000 5.536) 6.560 21.614 ( -3.474 -0.000 5.456) 6.468 ======================= Grid point 343 (165/172) ======================= q-point: ( 0.40 0.30 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 19.518 -0.245 -4.660) 20.068 1.727 ( 18.074 -11.381 -10.124) 23.637 2.181 ( 11.184 -0.960 -0.885) 11.260 2.503 ( 11.792 -2.997 -3.101) 12.556 2.824 ( -17.067 0.901 -1.626) 17.168 3.083 ( 9.886 -0.214 5.151) 11.149 3.181 ( -11.161 -1.729 -8.673) 14.240 3.371 ( -0.940 2.125 -1.362) 2.694 3.527 ( 4.894 1.450 4.129) 6.565 3.785 ( 5.093 0.733 -0.456) 5.166 3.879 ( -0.689 -5.153 -4.020) 6.572 4.110 ( -6.932 -1.813 -0.079) 7.165 4.568 ( 8.643 1.381 0.296) 8.758 4.772 ( -1.965 4.494 8.064) 9.439 5.061 ( 0.157 1.464 -1.632) 2.198 5.132 ( -3.208 -1.442 2.222) 4.160 5.527 ( 2.612 0.591 4.195) 4.977 5.750 ( -7.620 -1.198 1.776) 7.916 5.804 ( -5.148 0.977 -6.520) 8.365 5.963 ( -2.036 0.713 -10.700) 10.916 6.198 ( 17.479 0.700 3.959) 17.935 6.436 ( 5.289 0.024 5.121) 7.361 6.617 ( 5.872 0.278 1.644) 6.104 6.794 ( 2.540 -2.131 7.409) 8.117 6.833 ( -1.285 0.865 0.105) 1.552 7.350 ( -5.800 2.835 -9.753) 11.696 7.397 ( 0.650 2.375 9.509) 9.823 7.543 ( 1.226 1.108 3.153) 3.560 7.584 ( 6.178 -1.827 7.450) 9.849 7.686 ( -1.481 -2.222 -7.951) 8.387 7.794 ( -5.561 -4.473 4.777) 8.587 8.071 ( 6.209 -2.301 -2.132) 6.956 8.384 ( 1.397 -0.419 -1.969) 2.451 8.462 ( 4.990 -0.265 -4.787) 6.919 8.812 ( -4.298 1.032 2.987) 5.335 8.940 ( -2.544 1.393 2.127) 3.597 9.260 ( 6.144 2.018 1.709) 6.689 9.372 ( 4.427 -4.133 4.560) 7.581 10.191 ( 1.226 -0.159 1.048) 1.620 10.498 ( -5.412 2.858 -12.861) 14.243 10.815 ( 4.571 -1.169 -6.033) 7.659 10.968 ( -0.167 0.394 6.015) 6.030 11.607 ( -0.572 0.094 1.645) 1.744 11.874 ( -9.412 -0.640 -10.161) 13.865 12.537 ( 0.571 5.185 5.647) 7.687 12.663 ( 5.625 5.085 8.410) 11.324 12.791 ( 9.550 1.614 8.117) 12.637 13.183 ( -4.134 3.972 -1.878) 6.033 13.264 ( -0.270 -1.412 3.100) 3.417 13.423 ( -1.146 -0.456 -8.636) 8.724 13.794 ( -1.729 2.309 7.840) 8.353 13.866 ( 2.898 8.327 1.188) 8.897 14.289 ( 0.870 -8.730 1.348) 8.876 14.333 ( -0.698 -6.343 0.965) 6.453 15.007 ( -3.712 -0.392 -14.367) 14.844 15.235 ( -5.966 -4.411 -16.272) 17.884 16.435 ( 39.306 14.144 0.039) 41.773 16.936 ( 39.788 -13.566 0.112) 42.037 17.210 ( 5.008 3.911 9.218) 11.196 17.342 ( 6.604 2.881 -6.799) 9.907 17.619 ( -7.961 2.612 -1.657) 8.541 18.000 ( 1.465 -3.811 2.502) 4.788 18.503 ( -5.511 4.787 1.634) 7.481 18.642 ( 1.451 0.389 5.166) 5.380 19.069 ( 10.047 10.558 -6.963) 16.152 19.367 ( 1.533 -3.698 -1.185) 4.175 19.862 ( 7.149 -3.434 -4.448) 9.093 19.933 ( 1.666 -1.622 0.082) 2.326 20.175 ( -11.463 -3.544 4.566) 12.838 20.424 ( -10.297 -1.373 0.952) 10.432 21.336 ( 5.204 6.421 3.267) 8.888 21.574 ( -3.703 3.838 5.100) 7.379 ======================= Grid point 344 (166/172) ======================= q-point: ( 0.50 0.30 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 17.318 -0.284 2.862) 17.555 2.080 ( 12.376 -14.234 -3.630) 19.208 2.262 ( 9.213 -1.424 -7.667) 12.071 2.600 ( -5.818 0.105 5.090) 7.731 2.720 ( 0.092 -5.012 -8.213) 9.622 3.058 ( -9.510 -0.558 0.322) 9.532 3.230 ( 3.781 -3.308 0.936) 5.111 3.313 ( 1.375 2.517 -5.741) 6.418 3.581 ( 4.115 -1.499 9.614) 10.564 3.812 ( 5.503 2.786 2.108) 6.518 3.937 ( -2.402 -5.041 -6.479) 8.553 4.061 ( -8.513 1.173 -0.892) 8.639 4.582 ( 5.491 3.488 -0.348) 6.515 4.687 ( -3.025 4.269 4.448) 6.867 5.039 ( 3.058 1.360 -1.909) 3.853 5.153 ( -4.220 -2.594 3.833) 6.264 5.508 ( 1.335 5.293 3.346) 6.403 5.691 ( -4.685 3.084 -9.720) 11.222 5.767 ( -2.474 -4.280 3.212) 5.896 5.918 ( -2.916 -2.659 -6.786) 7.850 6.335 ( 16.899 1.562 3.245) 17.278 6.549 ( 8.033 -2.507 6.951) 10.914 6.630 ( 4.863 5.166 9.097) 11.536 6.789 ( -4.536 1.226 -1.435) 4.914 6.832 ( -1.958 -0.504 -1.067) 2.286 7.170 ( -10.724 3.562 -11.781) 16.325 7.439 ( 3.238 -0.154 10.966) 11.435 7.525 ( -1.171 -0.295 -0.471) 1.297 7.683 ( 3.713 -1.944 -5.156) 6.644 7.704 ( -0.254 -1.237 5.238) 5.388 7.906 ( 0.857 -5.777 9.996) 11.577 8.143 ( 2.489 -3.579 -7.104) 8.335 8.406 ( 3.119 -0.243 1.821) 3.620 8.482 ( 2.946 -0.832 -5.056) 5.910 8.765 ( -2.105 2.206 1.949) 3.619 8.890 ( -4.013 1.268 -0.122) 4.210 9.283 ( 6.157 1.963 2.134) 6.806 9.467 ( -0.717 -2.632 1.852) 3.297 10.207 ( -0.121 -0.033 4.062) 4.064 10.367 ( -1.728 2.500 -12.316) 12.685 10.839 ( 4.496 0.068 -5.096) 6.796 10.966 ( -2.906 0.830 3.507) 4.629 11.611 ( 0.533 -0.031 2.563) 2.618 11.798 ( -6.423 -2.067 -7.721) 10.254 12.446 ( 3.768 7.800 3.234) 9.247 12.606 ( -0.648 6.700 3.031) 7.383 12.846 ( 8.629 5.592 12.639) 16.293 13.069 ( -1.967 4.738 -2.153) 5.563 13.305 ( -0.227 -2.098 0.771) 2.247 13.384 ( -1.293 0.290 -6.283) 6.421 13.728 ( 2.294 5.890 4.804) 7.939 13.814 ( -1.159 0.641 0.710) 1.503 14.431 ( 0.856 -6.292 2.836) 6.955 14.467 ( 0.689 -6.965 -1.799) 7.227 14.984 ( -2.902 -4.554 -3.889) 6.655 15.205 ( -6.962 -5.652 -15.880) 18.237 16.479 ( 35.062 15.097 -0.402) 38.176 17.204 ( -1.773 4.684 7.772) 9.246 17.252 ( 4.945 6.022 -3.805) 8.671 17.451 ( 14.250 -0.240 1.363) 14.317 17.491 ( 8.344 -4.584 -1.476) 9.634 18.060 ( -4.114 -2.880 -1.983) 5.399 18.402 ( 1.294 3.063 0.835) 3.429 18.633 ( -0.954 2.443 3.590) 4.446 18.946 ( 11.134 9.515 -6.203) 15.905 19.333 ( -10.577 2.961 2.957) 11.374 19.949 ( 3.609 -2.995 -1.940) 5.075 20.017 ( 0.522 -4.595 0.947) 4.721 20.210 ( -1.009 -5.681 -1.693) 6.013 20.391 ( -9.904 -3.801 1.996) 10.795 21.260 ( 6.887 8.396 1.177) 10.923 21.451 ( -4.782 8.214 3.891) 10.270 ======================= Grid point 345 (167/172) ======================= q-point: ( 0.60 0.30 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 14.305 -0.915 9.768) 17.346 2.221 ( -4.684 -2.791 -9.171) 10.669 2.431 ( 11.817 -8.778 -8.134) 16.819 2.547 ( -11.018 -2.619 7.219) 13.430 2.849 ( 13.108 -2.680 -6.303) 14.790 3.004 ( -9.156 0.009 5.040) 10.451 3.278 ( 3.234 0.477 -3.746) 4.972 3.311 ( -2.479 -5.342 -0.603) 5.920 3.683 ( 7.142 3.959 7.124) 10.837 3.781 ( 1.234 3.943 2.499) 4.829 3.909 ( -3.418 4.874 0.243) 5.958 3.982 ( -7.932 -6.391 -7.441) 12.614 4.567 ( 1.975 1.050 2.499) 3.354 4.628 ( -3.019 0.724 -1.464) 3.433 5.049 ( 6.006 1.243 -0.785) 6.183 5.158 ( -7.676 -1.116 1.544) 7.909 5.445 ( 2.486 3.681 7.672) 8.865 5.563 ( -2.930 2.377 -10.553) 11.207 5.872 ( 3.580 -5.171 0.895) 6.353 5.945 ( -3.669 -4.642 -1.653) 6.143 6.415 ( 11.549 5.473 4.022) 13.398 6.549 ( -0.291 10.323 6.749) 12.337 6.662 ( 5.258 -0.414 1.502) 5.484 6.725 ( -3.277 -1.741 -0.636) 3.765 6.845 ( 0.491 -1.438 1.210) 1.943 6.989 ( -9.975 1.733 -11.003) 14.952 7.510 ( 2.865 -0.709 4.232) 5.159 7.543 ( -0.557 -1.839 3.438) 3.938 7.684 ( 0.219 1.450 1.580) 2.156 7.733 ( 0.420 -0.281 -2.829) 2.874 8.055 ( 2.103 -4.337 10.650) 11.690 8.174 ( -1.504 -3.473 -9.912) 10.610 8.449 ( 4.873 -0.022 0.608) 4.911 8.501 ( -0.849 -1.315 -0.906) 1.809 8.733 ( 3.530 2.040 1.456) 4.329 8.835 ( -5.464 0.263 -1.363) 5.637 9.304 ( 7.250 2.817 2.195) 8.082 9.448 ( -7.337 1.316 -1.277) 7.563 10.228 ( 1.691 -0.094 3.474) 3.864 10.291 ( -0.943 0.880 -6.034) 6.171 10.846 ( 5.129 1.284 -4.183) 6.741 10.920 ( -5.651 1.361 1.753) 6.071 11.652 ( 3.500 -1.259 4.663) 5.965 11.768 ( -5.147 -2.576 -6.366) 8.583 12.356 ( 5.621 8.177 3.170) 10.417 12.457 ( -4.183 7.934 0.080) 8.969 12.837 ( 4.924 6.869 12.175) 14.821 12.956 ( -0.966 5.506 -6.741) 8.757 13.332 ( 0.409 -1.236 -1.856) 2.267 13.357 ( -1.486 -0.637 -1.592) 2.269 13.709 ( 4.278 0.968 3.588) 5.666 13.797 ( -3.968 -1.106 -1.334) 4.330 14.533 ( 0.970 -3.248 0.744) 3.470 14.550 ( -0.307 -2.991 -1.327) 3.286 15.090 ( -1.032 -7.990 7.111) 10.746 15.213 ( -4.670 -7.920 -14.685) 17.326 16.462 ( 30.203 16.436 -0.640) 34.391 16.892 ( -22.479 15.514 0.624) 27.320 17.263 ( 8.538 2.896 1.227) 9.098 17.356 ( -4.766 3.124 2.677) 6.296 17.794 ( 17.767 -3.339 -0.060) 18.078 18.013 ( -8.339 -0.152 -5.138) 9.796 18.448 ( 11.136 -0.847 0.553) 11.182 18.583 ( -2.734 2.995 4.196) 5.835 18.881 ( 13.477 6.307 -4.490) 15.543 19.146 ( -18.750 4.992 2.415) 19.553 20.018 ( 2.787 -2.184 -0.882) 3.649 20.061 ( -3.424 -1.715 1.272) 4.035 20.338 ( 5.069 -6.988 -2.562) 9.006 20.422 ( -7.162 -6.474 1.809) 9.822 21.165 ( 6.569 8.691 -0.467) 10.904 21.254 ( -5.506 10.119 2.616) 11.814 ======================= Grid point 346 (168/172) ======================= q-point: ( 0.70 0.30 -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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -10.774 0.214 -11.998) 16.127 2.137 ( 10.774 0.214 11.998) 16.127 2.591 ( 5.287 -5.702 -10.102) 12.748 2.591 ( -5.287 -5.702 10.102) 12.748 2.913 ( -7.798 3.733 -0.213) 8.648 2.913 ( 7.798 3.733 0.213) 8.648 3.308 ( -1.821 4.369 -4.266) 6.372 3.308 ( 1.821 4.369 4.266) 6.372 3.642 ( -5.256 1.886 -7.152) 9.074 3.642 ( 5.256 1.886 7.152) 9.074 4.006 ( -8.133 -6.369 -5.934) 11.913 4.006 ( 8.133 -6.369 5.934) 11.913 4.595 ( -1.005 -0.442 -4.927) 5.048 4.595 ( 1.005 -0.442 4.927) 5.048 5.084 ( -7.163 1.057 -2.546) 7.675 5.084 ( 7.163 1.057 2.546) 7.675 5.496 ( -1.060 -1.824 -11.264) 11.460 5.496 ( 1.060 -1.824 11.264) 11.460 5.984 ( -1.745 -3.154 -0.760) 3.684 5.984 ( 1.745 -3.154 0.760) 3.684 6.353 ( -2.215 8.714 -4.376) 9.999 6.353 ( 2.215 8.714 4.376) 9.999 6.720 ( -7.467 0.083 -0.661) 7.497 6.720 ( 7.467 0.083 0.661) 7.497 6.880 ( -1.912 0.540 -6.512) 6.808 6.880 ( 1.912 0.540 6.512) 6.808 7.554 ( 2.315 -0.179 -3.418) 4.132 7.554 ( -2.315 -0.179 3.418) 4.132 7.694 ( -3.767 0.605 -6.428) 7.475 7.694 ( 3.767 0.605 6.428) 7.475 8.164 ( -2.081 -1.330 -9.905) 10.209 8.164 ( 2.081 -1.330 9.905) 10.209 8.491 ( 2.859 -0.386 -6.007) 6.664 8.491 ( -2.859 -0.386 6.007) 6.664 8.775 ( -6.268 -0.050 -4.081) 7.479 8.775 ( 6.268 -0.050 4.081) 7.479 9.315 ( -6.239 4.334 -4.007) 8.589 9.315 ( 6.239 4.334 4.007) 8.589 10.261 ( 6.678 -0.309 -12.989) 14.609 10.261 ( -6.678 -0.309 12.989) 14.609 10.852 ( 0.790 1.442 -3.377) 3.756 10.852 ( -0.790 1.442 3.377) 3.756 11.743 ( -5.385 -2.054 -6.317) 8.551 11.743 ( 5.385 -2.054 6.317) 8.551 12.278 ( -2.098 6.802 -5.135) 8.777 12.278 ( 2.098 6.802 5.135) 8.777 12.801 ( -3.093 5.539 -10.969) 12.672 12.801 ( 3.093 5.539 10.969) 12.672 13.359 ( -0.391 -1.348 -2.764) 3.100 13.359 ( 0.391 -1.348 2.764) 3.100 13.781 ( -2.275 -2.517 -6.015) 6.905 13.781 ( 2.275 -2.517 6.015) 6.905 14.569 ( 3.220 -0.204 -7.710) 8.357 14.569 ( -3.220 -0.204 7.710) 8.357 15.280 ( -0.990 -7.950 -13.065) 15.325 15.280 ( 0.990 -7.950 13.065) 15.325 16.391 ( -26.567 17.142 0.248) 31.618 16.391 ( 26.567 17.142 -0.248) 31.618 17.265 ( 4.737 3.839 -4.756) 7.733 17.265 ( -4.737 3.839 4.756) 7.733 17.910 ( -8.270 1.528 -5.705) 10.162 17.910 ( 8.270 1.528 5.705) 10.162 18.523 ( 6.028 1.998 -6.247) 8.908 18.523 ( -6.028 1.998 6.247) 8.908 18.926 ( -7.144 1.629 -5.699) 9.283 18.926 ( 7.144 1.629 5.699) 9.283 20.054 ( 1.442 0.035 -3.985) 4.238 20.054 ( -1.442 0.035 3.985) 4.238 20.494 ( -2.308 -6.033 -1.755) 6.693 20.494 ( 2.308 -6.033 1.755) 6.693 21.058 ( 4.182 7.561 -1.818) 8.830 21.058 ( -4.182 7.561 1.818) 8.830 ======================= Grid point 354 (169/172) ======================= q-point: ( 0.40 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 165 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 23.454 0.000 -3.902) 23.776 1.812 ( 19.664 0.000 -0.851) 19.682 2.236 ( 5.800 0.000 -3.323) 6.684 2.559 ( 12.225 0.000 -5.849) 13.552 2.639 ( -24.773 -0.000 1.492) 24.818 3.015 ( -15.768 -0.000 -6.282) 16.973 3.195 ( 12.098 0.000 0.984) 12.137 3.383 ( -4.110 -0.000 4.537) 6.122 3.608 ( 6.818 0.000 0.753) 6.860 3.806 ( -1.014 -0.000 -4.408) 4.523 3.812 ( 3.725 0.000 -0.300) 3.737 4.032 ( -7.071 -0.000 -0.840) 7.120 4.675 ( 12.143 0.000 0.144) 12.144 4.854 ( 0.786 0.000 6.771) 6.816 5.077 ( 0.633 0.000 -1.432) 1.566 5.097 ( -2.544 -0.000 1.412) 2.909 5.574 ( 1.824 0.000 8.404) 8.600 5.674 ( -8.274 -0.000 1.520) 8.413 5.753 ( -3.886 -0.000 -5.520) 6.750 5.901 ( -4.137 -0.000 -11.323) 12.055 6.379 ( 18.645 0.000 3.935) 19.056 6.494 ( 6.360 0.000 5.056) 8.125 6.654 ( 3.387 0.000 -0.652) 3.449 6.827 ( -1.830 -0.000 -0.291) 1.853 6.852 ( 3.818 0.000 11.259) 11.888 7.272 ( -8.261 -0.000 -15.356) 17.437 7.423 ( -4.118 -0.000 7.954) 8.957 7.565 ( -4.477 -0.000 -10.722) 11.619 7.633 ( -0.075 -0.000 9.179) 9.180 7.644 ( 5.228 0.000 0.852) 5.297 7.755 ( 2.669 0.000 12.956) 13.228 8.069 ( 2.161 0.000 -5.351) 5.770 8.390 ( 2.569 0.000 -0.321) 2.588 8.474 ( 3.240 0.000 -5.547) 6.424 8.810 ( -2.138 -0.000 3.640) 4.221 8.925 ( -4.410 -0.000 -0.391) 4.427 9.353 ( 9.853 0.000 -7.787) 12.559 9.369 ( -1.100 -0.000 13.978) 14.021 10.204 ( 0.637 0.000 2.725) 2.798 10.417 ( -6.070 -0.000 -12.967) 14.317 10.836 ( 7.297 0.000 -4.896) 8.787 10.982 ( -2.754 -0.000 4.653) 5.407 11.612 ( -0.029 -0.000 1.450) 1.450 11.759 ( -7.870 -0.000 -7.530) 10.892 12.614 ( 0.658 0.000 5.399) 5.439 12.714 ( 1.286 0.000 -4.122) 4.318 12.946 ( 8.398 0.000 13.892) 16.233 13.170 ( -4.160 -0.000 -2.629) 4.921 13.277 ( -0.818 -0.000 7.726) 7.769 13.384 ( 0.930 0.000 -9.337) 9.383 13.851 ( 1.263 0.000 10.640) 10.715 14.016 ( -0.625 -0.000 3.548) 3.603 14.180 ( 5.038 0.000 -4.205) 6.563 14.258 ( -3.815 -0.000 2.639) 4.639 14.939 ( -0.656 -0.000 -11.378) 11.397 15.085 ( -5.259 -0.000 -14.799) 15.705 16.933 ( 29.586 0.000 -1.184) 29.609 17.076 ( 43.615 0.000 1.491) 43.640 17.294 ( 1.962 0.000 8.038) 8.274 17.402 ( 6.858 0.000 -9.216) 11.488 17.574 ( -8.606 -0.000 0.367) 8.614 17.976 ( -3.514 -0.000 4.868) 6.004 18.504 ( -7.160 -0.000 1.410) 7.297 18.624 ( -5.571 -0.000 1.130) 5.684 19.278 ( 4.865 0.000 1.414) 5.066 19.311 ( 8.198 0.000 -8.496) 11.806 19.875 ( 7.357 0.000 -3.693) 8.232 19.926 ( 0.614 0.000 -1.403) 1.532 20.075 ( -7.679 -0.000 5.585) 9.496 20.323 ( -12.435 -0.000 1.687) 12.549 21.451 ( 4.738 0.000 3.040) 5.629 21.591 ( -3.973 -0.000 3.582) 5.349 ======================= Grid point 355 (170/172) ======================= q-point: ( 0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 17.169 -0.125 1.382) 17.225 2.023 ( 15.696 -5.818 3.126) 17.029 2.250 ( 3.493 -1.475 -9.294) 10.038 2.458 ( -23.557 -3.087 1.590) 23.812 2.677 ( 13.018 -2.826 -3.417) 13.753 2.893 ( -15.212 -2.534 -1.549) 15.499 3.278 ( 7.456 0.130 -1.072) 7.534 3.343 ( -3.281 1.945 2.174) 4.390 3.651 ( 5.703 0.788 6.158) 8.430 3.788 ( -4.254 -2.153 -6.303) 7.903 3.880 ( 5.682 -2.162 0.564) 6.106 3.991 ( -6.917 -1.752 -1.171) 7.231 4.725 ( 9.831 4.871 -1.694) 11.102 4.805 ( -2.829 6.918 5.338) 9.184 5.069 ( 2.281 0.404 -1.719) 2.885 5.099 ( -3.078 -1.258 2.090) 3.927 5.600 ( 0.286 1.737 4.796) 5.109 5.666 ( -4.982 -0.951 -2.101) 5.490 5.699 ( 1.225 -0.584 2.448) 2.799 5.822 ( -4.583 -0.728 -9.547) 10.615 6.508 ( 14.133 0.644 1.676) 14.246 6.604 ( 9.590 -0.914 5.786) 11.238 6.675 ( -2.242 -2.194 -0.496) 3.176 6.803 ( -3.886 -0.016 -1.526) 4.175 6.875 ( 2.465 5.938 11.989) 13.604 7.098 ( -9.640 3.865 -14.825) 18.101 7.451 ( -1.669 -2.430 6.414) 7.059 7.494 ( -2.294 -0.665 -4.616) 5.197 7.669 ( 2.919 -1.084 -1.041) 3.283 7.692 ( -0.388 -2.036 2.108) 2.956 7.890 ( 4.692 -3.390 15.005) 16.083 8.058 ( -1.709 -2.113 -10.511) 10.857 8.424 ( 2.071 -0.841 3.558) 4.202 8.471 ( 1.504 -0.275 -5.928) 6.123 8.805 ( 0.745 1.372 3.209) 3.569 8.874 ( -4.382 1.103 -1.793) 4.861 9.371 ( 5.721 1.429 0.655) 5.933 9.428 ( -1.514 -1.591 2.583) 3.391 10.226 ( 0.423 -0.073 5.889) 5.904 10.322 ( -3.130 0.570 -11.536) 11.967 10.877 ( 7.234 0.409 -3.760) 8.163 10.960 ( -5.316 0.635 3.205) 6.240 11.624 ( 1.100 -0.358 2.260) 2.539 11.695 ( -4.796 -1.283 -5.022) 7.061 12.600 ( 2.454 4.554 4.926) 7.143 12.675 ( -1.293 3.108 -4.331) 5.485 13.022 ( 4.922 2.308 8.440) 10.039 13.109 ( -3.013 2.461 -1.685) 4.240 13.299 ( 0.008 0.101 5.978) 5.979 13.355 ( 0.179 0.162 -7.648) 7.651 13.855 ( -0.329 4.938 10.730) 11.817 13.906 ( 2.195 7.943 -4.580) 9.428 14.311 ( -1.125 -8.360 4.305) 9.471 14.325 ( 0.990 -8.152 -3.335) 8.864 14.918 ( 1.656 -1.216 -2.425) 3.178 15.019 ( -5.468 -2.870 -11.497) 13.050 17.001 ( 28.781 12.688 -0.913) 31.467 17.275 ( -5.487 4.042 5.792) 8.944 17.362 ( 4.902 3.319 -3.956) 7.120 17.449 ( -6.933 1.103 -1.193) 7.121 17.577 ( 28.771 -6.382 0.543) 29.476 17.948 ( -13.464 -2.552 1.892) 13.834 18.456 ( 2.147 1.140 1.219) 2.719 18.585 ( -9.189 -1.575 -0.047) 9.323 19.207 ( 12.176 8.968 -6.226) 16.354 19.328 ( -7.124 2.907 3.622) 8.504 19.926 ( 2.760 -1.906 -0.851) 3.460 19.950 ( 0.095 -2.949 -0.866) 3.075 20.117 ( 4.050 -4.632 -0.821) 6.207 20.252 ( -12.113 -2.745 2.671) 12.704 21.447 ( 5.787 5.535 1.181) 8.095 21.532 ( -5.027 4.274 2.088) 6.921 ======================= Grid point 356 (171/172) ======================= q-point: ( 0.60 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -7.636 -1.432 -7.253) 10.629 2.089 ( 7.636 -1.432 7.253) 10.629 2.391 ( 6.204 -5.726 -5.818) 10.253 2.391 ( -6.204 -5.726 5.818) 10.253 2.850 ( -5.255 -5.510 -0.793) 7.655 2.850 ( 5.255 -5.510 0.793) 7.655 3.294 ( 0.517 1.505 -4.133) 4.429 3.294 ( -0.517 1.505 4.133) 4.429 3.758 ( -8.311 -3.078 -6.736) 11.132 3.758 ( 8.311 -3.078 6.736) 11.132 3.940 ( -5.999 1.904 -0.674) 6.330 3.940 ( 5.999 1.904 0.674) 6.330 4.662 ( 3.847 6.131 -4.773) 8.670 4.662 ( -3.847 6.131 4.773) 8.670 5.095 ( 1.857 -0.719 -2.337) 3.071 5.095 ( -1.857 -0.719 2.337) 3.071 5.569 ( -0.845 4.427 -8.354) 9.492 5.569 ( 0.845 4.427 8.354) 9.492 5.813 ( -2.186 -5.159 -5.880) 8.121 5.813 ( 2.186 -5.159 5.880) 8.121 6.617 ( -12.526 1.238 -2.519) 12.836 6.617 ( 12.526 1.238 2.519) 12.836 6.703 ( -4.230 2.217 -1.758) 5.089 6.703 ( 4.230 2.217 1.758) 5.089 6.897 ( -9.136 2.318 -11.676) 15.006 6.897 ( 9.136 2.318 11.676) 15.006 7.506 ( 0.805 -2.080 -2.761) 3.549 7.506 ( -0.805 -2.080 2.761) 3.549 7.711 ( 1.446 -0.819 -4.396) 4.700 7.711 ( -1.446 -0.819 4.396) 4.700 8.044 ( -2.811 -4.062 -12.766) 13.689 8.044 ( 2.811 -4.062 12.766) 13.689 8.467 ( 1.372 -0.947 -6.075) 6.300 8.467 ( -1.372 -0.947 6.075) 6.300 8.806 ( -1.907 1.667 -3.912) 4.660 8.806 ( 1.907 1.667 3.912) 4.660 9.405 ( 1.855 0.844 -9.317) 9.537 9.405 ( -1.855 0.844 9.317) 9.537 10.260 ( 1.515 0.119 -11.098) 11.201 10.260 ( -1.515 0.119 11.098) 11.201 10.905 ( 6.086 1.222 -2.999) 6.894 10.905 ( -6.086 1.222 2.999) 6.894 11.672 ( -3.445 -1.636 -4.516) 5.911 11.672 ( 3.445 -1.636 4.516) 5.911 12.545 ( -4.137 6.756 -3.866) 8.815 12.545 ( 4.137 6.756 3.866) 8.815 13.014 ( -1.735 4.942 -6.840) 8.616 13.014 ( 1.735 4.942 6.840) 8.616 13.325 ( -0.641 -0.386 -4.173) 4.239 13.325 ( 0.641 -0.386 4.173) 4.239 13.791 ( 1.779 4.006 -6.848) 8.131 13.791 ( -1.779 4.006 6.848) 8.131 14.458 ( 0.876 -6.642 -3.646) 7.627 14.458 ( -0.876 -6.642 3.646) 7.627 15.009 ( -2.770 -5.322 -9.743) 11.442 15.009 ( 2.770 -5.322 9.743) 11.442 16.972 ( -23.606 14.573 0.201) 27.743 16.972 ( 23.606 14.573 -0.201) 27.743 17.360 ( 1.828 1.953 -8.794) 9.192 17.360 ( -1.828 1.953 8.794) 9.192 17.876 ( -16.324 -3.596 -1.060) 16.749 17.876 ( 16.324 -3.596 1.060) 16.749 18.525 ( -10.836 -1.031 -0.354) 10.891 18.525 ( 10.836 -1.031 0.354) 10.891 19.140 ( 5.588 8.464 -9.010) 13.566 19.140 ( -5.588 8.464 9.010) 13.566 19.993 ( 1.235 -3.082 -2.415) 4.106 19.993 ( -1.235 -3.082 2.415) 4.106 20.259 ( 4.112 -5.971 -6.016) 9.421 20.259 ( -4.112 -5.971 6.016) 9.421 21.375 ( -6.219 8.341 0.577) 10.420 21.375 ( 6.219 8.341 -0.577) 10.420 ======================= Grid point 367 (172/172) ======================= q-point: (-0.50 -0.50 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 2.98e-04 2.98e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -0.975 -0.000 -1.011) 1.405 2.068 ( 0.975 0.000 1.011) 1.405 2.250 ( 16.637 0.000 -6.573) 17.888 2.250 ( -16.637 -0.000 6.573) 17.888 2.752 ( -13.597 -0.000 0.844) 13.623 2.752 ( 13.597 0.000 -0.844) 13.623 3.329 ( 7.325 0.000 -4.654) 8.679 3.329 ( -7.325 -0.000 4.654) 8.679 3.722 ( -4.020 -0.000 -5.029) 6.439 3.722 ( 4.020 0.000 5.029) 6.439 3.907 ( -6.558 -0.000 -1.913) 6.831 3.907 ( 6.558 0.000 1.913) 6.831 4.846 ( -7.444 -0.000 1.749) 7.647 4.846 ( 7.444 0.000 -1.749) 7.647 5.079 ( 1.657 0.000 -2.243) 2.788 5.079 ( -1.657 -0.000 2.243) 2.788 5.620 ( 0.007 0.000 -1.700) 1.700 5.620 ( -0.007 -0.000 1.700) 1.700 5.747 ( -4.048 -0.000 -7.526) 8.546 5.747 ( 4.048 0.000 7.526) 8.546 6.594 ( -7.361 -0.000 -2.114) 7.659 6.594 ( 7.361 0.000 2.114) 7.659 6.731 ( -11.005 -0.000 -4.685) 11.961 6.731 ( 11.005 0.000 4.685) 11.961 7.022 ( -5.157 -0.000 -15.139) 15.993 7.022 ( 5.157 0.000 15.139) 15.993 7.441 ( -0.023 -0.000 -7.747) 7.747 7.441 ( 0.023 0.000 7.747) 7.747 7.671 ( 3.275 0.000 -7.118) 7.835 7.671 ( -3.275 -0.000 7.118) 7.835 7.964 ( -4.801 -0.000 -13.490) 14.319 7.964 ( 4.801 0.000 13.490) 14.319 8.447 ( -0.814 -0.000 -5.294) 5.356 8.447 ( 0.814 0.000 5.294) 5.356 8.844 ( -2.777 -0.000 -3.171) 4.215 8.844 ( 2.777 0.000 3.171) 4.215 9.412 ( 6.757 0.000 -12.246) 13.986 9.412 ( -6.757 -0.000 12.246) 13.986 10.263 ( -1.779 -0.000 -8.959) 9.134 10.263 ( 1.779 0.000 8.959) 9.134 10.927 ( 7.002 0.000 -3.000) 7.618 10.927 ( -7.002 -0.000 3.000) 7.618 11.641 ( -2.373 -0.000 -2.562) 3.492 11.641 ( 2.373 0.000 2.562) 3.492 12.674 ( -0.899 -0.000 -5.590) 5.662 12.674 ( 0.899 0.000 5.590) 5.662 13.093 ( -3.372 -0.000 -3.287) 4.709 13.093 ( 3.372 0.000 3.287) 4.709 13.330 ( 1.124 0.000 -9.031) 9.101 13.330 ( -1.124 -0.000 9.031) 9.101 13.976 ( -2.304 -0.000 -8.703) 9.002 13.976 ( 2.304 0.000 8.703) 9.002 14.218 ( 4.177 0.000 -4.349) 6.030 14.218 ( -4.177 -0.000 4.349) 6.030 14.931 ( -3.644 -0.000 -3.189) 4.842 14.931 ( 3.644 0.000 3.189) 4.842 17.278 ( -11.932 -0.000 2.509) 12.193 17.278 ( 11.932 0.000 -2.509) 12.193 17.417 ( 6.364 0.000 -8.636) 10.727 17.417 ( -6.364 -0.000 8.636) 10.727 17.749 ( -28.617 -0.000 1.093) 28.638 17.749 ( 28.617 0.000 -1.093) 28.638 18.499 ( -5.977 -0.000 -1.948) 6.286 18.499 ( 5.977 0.000 1.948) 6.286 19.334 ( -0.174 -0.000 -1.964) 1.971 19.334 ( 0.174 0.000 1.964) 1.971 19.918 ( 0.314 0.000 -1.837) 1.864 19.918 ( -0.314 -0.000 1.837) 1.864 20.135 ( -11.300 -0.000 1.875) 11.455 20.135 ( 11.300 0.000 -1.875) 11.455 21.538 ( -4.467 -0.000 0.242) 4.474 21.538 ( 4.467 0.000 -0.242) 4.474 =================== 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 3/43200 10.0 387.278 347.688 395.143 0.000 -63.288 0.000 3/43200 20.0 134.526 88.992 119.130 0.000 4.740 0.000 3/43200 30.0 72.852 43.149 63.582 0.000 4.310 0.000 3/43200 40.0 46.111 26.383 41.471 0.000 3.123 0.000 3/43200 50.0 32.108 18.024 29.649 0.000 2.326 0.000 3/43200 60.0 23.990 13.272 22.557 0.000 1.808 0.000 3/43200 70.0 18.898 10.328 17.990 0.000 1.461 0.000 3/43200 80.0 15.491 8.377 14.876 0.000 1.221 0.000 3/43200 90.0 13.086 7.013 12.647 0.000 1.046 0.000 3/43200 100.0 11.314 6.016 10.985 0.000 0.915 0.000 3/43200 110.0 9.962 5.262 9.704 0.000 0.813 0.000 3/43200 120.0 8.900 4.673 8.689 0.000 0.732 0.000 3/43200 130.0 8.047 4.203 7.866 0.000 0.665 0.000 3/43200 140.0 7.349 3.819 7.186 0.000 0.610 0.000 3/43200 150.0 6.766 3.501 6.615 0.000 0.563 0.000 3/43200 160.0 6.274 3.233 6.130 0.000 0.523 0.000 3/43200 170.0 5.853 3.004 5.712 0.000 0.488 0.000 3/43200 180.0 5.488 2.807 5.348 0.000 0.458 0.000 3/43200 190.0 5.169 2.635 5.029 0.000 0.431 0.000 3/43200 200.0 4.888 2.484 4.747 0.000 0.407 0.000 3/43200 210.0 4.638 2.350 4.496 0.000 0.385 0.000 3/43200 220.0 4.414 2.231 4.270 0.000 0.366 0.000 3/43200 230.0 4.213 2.123 4.067 0.000 0.348 0.000 3/43200 240.0 4.030 2.026 3.883 0.000 0.332 0.000 3/43200 250.0 3.863 1.938 3.715 0.000 0.318 0.000 3/43200 260.0 3.711 1.858 3.562 0.000 0.305 0.000 3/43200 270.0 3.571 1.784 3.421 0.000 0.292 0.000 3/43200 280.0 3.441 1.716 3.291 0.000 0.281 0.000 3/43200 290.0 3.321 1.653 3.171 0.000 0.270 0.000 3/43200 300.0 3.210 1.595 3.059 0.000 0.261 0.000 3/43200 310.0 3.106 1.541 2.956 0.000 0.252 0.000 3/43200 320.0 3.009 1.491 2.859 0.000 0.243 0.000 3/43200 330.0 2.918 1.444 2.769 0.000 0.235 0.000 3/43200 340.0 2.832 1.400 2.684 0.000 0.228 0.000 3/43200 350.0 2.752 1.358 2.604 0.000 0.221 0.000 3/43200 360.0 2.676 1.319 2.529 0.000 0.214 0.000 3/43200 370.0 2.604 1.283 2.459 0.000 0.208 0.000 3/43200 380.0 2.536 1.248 2.392 0.000 0.202 0.000 3/43200 390.0 2.472 1.215 2.329 0.000 0.197 0.000 3/43200 400.0 2.411 1.184 2.269 0.000 0.191 0.000 3/43200 410.0 2.353 1.155 2.213 0.000 0.186 0.000 3/43200 420.0 2.297 1.127 2.159 0.000 0.182 0.000 3/43200 430.0 2.245 1.100 2.107 0.000 0.177 0.000 3/43200 440.0 2.194 1.075 2.058 0.000 0.173 0.000 3/43200 450.0 2.146 1.050 2.012 0.000 0.169 0.000 3/43200 460.0 2.100 1.027 1.967 0.000 0.165 0.000 3/43200 470.0 2.056 1.005 1.925 0.000 0.161 0.000 3/43200 480.0 2.014 0.984 1.884 0.000 0.158 0.000 3/43200 490.0 1.973 0.964 1.845 0.000 0.155 0.000 3/43200 500.0 1.934 0.944 1.807 0.000 0.151 0.000 3/43200 510.0 1.897 0.925 1.771 0.000 0.148 0.000 3/43200 520.0 1.861 0.908 1.737 0.000 0.145 0.000 3/43200 530.0 1.826 0.890 1.704 0.000 0.142 0.000 3/43200 540.0 1.793 0.874 1.672 0.000 0.140 0.000 3/43200 550.0 1.761 0.858 1.641 0.000 0.137 0.000 3/43200 560.0 1.730 0.842 1.611 0.000 0.134 0.000 3/43200 570.0 1.700 0.827 1.583 0.000 0.132 0.000 3/43200 580.0 1.671 0.813 1.555 0.000 0.130 0.000 3/43200 590.0 1.643 0.799 1.529 0.000 0.127 0.000 3/43200 600.0 1.616 0.786 1.503 0.000 0.125 0.000 3/43200 610.0 1.590 0.773 1.478 0.000 0.123 0.000 3/43200 620.0 1.564 0.760 1.454 0.000 0.121 0.000 3/43200 630.0 1.540 0.748 1.431 0.000 0.119 0.000 3/43200 640.0 1.516 0.736 1.408 0.000 0.117 0.000 3/43200 650.0 1.493 0.725 1.386 0.000 0.115 0.000 3/43200 660.0 1.471 0.714 1.365 0.000 0.113 0.000 3/43200 670.0 1.449 0.703 1.345 0.000 0.112 0.000 3/43200 680.0 1.428 0.693 1.325 0.000 0.110 0.000 3/43200 690.0 1.407 0.683 1.306 0.000 0.108 0.000 3/43200 700.0 1.388 0.673 1.287 0.000 0.107 0.000 3/43200 710.0 1.368 0.664 1.269 0.000 0.105 0.000 3/43200 720.0 1.349 0.654 1.251 0.000 0.104 0.000 3/43200 730.0 1.331 0.645 1.234 0.000 0.102 0.000 3/43200 740.0 1.313 0.637 1.217 0.000 0.101 0.000 3/43200 750.0 1.296 0.628 1.201 0.000 0.099 0.000 3/43200 760.0 1.279 0.620 1.185 0.000 0.098 0.000 3/43200 770.0 1.263 0.612 1.169 0.000 0.097 0.000 3/43200 780.0 1.247 0.604 1.154 0.000 0.096 0.000 3/43200 790.0 1.231 0.596 1.140 0.000 0.094 0.000 3/43200 800.0 1.216 0.589 1.125 0.000 0.093 0.000 3/43200 810.0 1.201 0.582 1.111 0.000 0.092 0.000 3/43200 820.0 1.186 0.574 1.098 0.000 0.091 0.000 3/43200 830.0 1.172 0.568 1.084 0.000 0.090 0.000 3/43200 840.0 1.158 0.561 1.072 0.000 0.089 0.000 3/43200 850.0 1.145 0.554 1.059 0.000 0.088 0.000 3/43200 860.0 1.132 0.548 1.047 0.000 0.086 0.000 3/43200 870.0 1.119 0.541 1.034 0.000 0.085 0.000 3/43200 880.0 1.106 0.535 1.023 0.000 0.084 0.000 3/43200 890.0 1.094 0.529 1.011 0.000 0.083 0.000 3/43200 900.0 1.082 0.523 1.000 0.000 0.083 0.000 3/43200 910.0 1.070 0.518 0.989 0.000 0.082 0.000 3/43200 920.0 1.058 0.512 0.978 0.000 0.081 0.000 3/43200 930.0 1.047 0.506 0.968 0.000 0.080 0.000 3/43200 940.0 1.036 0.501 0.957 0.000 0.079 0.000 3/43200 950.0 1.025 0.496 0.947 0.000 0.078 0.000 3/43200 960.0 1.015 0.491 0.937 0.000 0.077 0.000 3/43200 970.0 1.004 0.486 0.928 0.000 0.077 0.000 3/43200 980.0 0.994 0.481 0.918 0.000 0.076 0.000 3/43200 990.0 0.984 0.476 0.909 0.000 0.075 0.000 3/43200 1000.0 0.974 0.471 0.900 0.000 0.074 0.000 3/43200 Thermal conductivity related properties were written into "kappa-m10106.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:40:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|