----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:45:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.158146410000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.605756169999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.091334910000000 Atomic positions (fractional): *1 Tm 0.11944372006359 0.25000000000000 0.27467405614361 168.934 *2 Tm 0.13523358849034 0.25000000000000 0.94369560726971 168.934 3 Tm 0.36476641150966 0.75000000000000 0.44369560726971 168.934 4 Tm 0.38055627993641 0.75000000000000 0.77467405614361 168.934 5 Tm 0.61944372006359 0.25000000000000 0.22532594385639 168.934 6 Tm 0.63523358849033 0.25000000000000 0.55630439273029 168.934 7 Tm 0.86476641150967 0.75000000000000 0.05630439273029 168.934 8 Tm 0.88055627993641 0.75000000000000 0.72532594385639 168.934 *9 Ti 0.17023196427880 0.25000000000000 0.61711984038202 47.867 10 Ti 0.32976803572120 0.75000000000000 0.11711984038202 47.867 11 Ti 0.67023196427880 0.25000000000000 0.88288015961798 47.867 12 Ti 0.82976803572120 0.75000000000000 0.38288015961798 47.867 *13 O 0.00578221088789 0.75000000000000 0.89481722890478 15.999 *14 O 0.99968275073273 0.25000000000000 0.65355581767155 15.999 *15 O 0.22488962020043 0.25000000000000 0.45367679409119 15.999 *16 O 0.23856648194689 0.75000000000000 0.61440697610519 15.999 *17 O 0.24808188588837 0.75000000000000 0.27081199079239 15.999 18 O 0.25191811411163 0.25000000000000 0.77081199079240 15.999 19 O 0.26143351805311 0.25000000000000 0.11440697610519 15.999 20 O 0.27511037979957 0.75000000000000 0.95367679409119 15.999 21 O 0.50031724926727 0.75000000000000 0.15355581767155 15.999 22 O 0.49421778911211 0.25000000000000 0.39481722890478 15.999 23 O 0.50578221088789 0.75000000000000 0.60518277109522 15.999 24 O 0.49968275073273 0.25000000000000 0.84644418232845 15.999 25 O 0.72488962020043 0.25000000000000 0.04632320590881 15.999 26 O 0.73856648194689 0.75000000000000 0.88559302389481 15.999 27 O 0.74808188588837 0.75000000000000 0.22918800920760 15.999 28 O 0.75191811411163 0.25000000000000 0.72918800920760 15.999 29 O 0.76143351805311 0.25000000000000 0.38559302389481 15.999 30 O 0.77511037979957 0.75000000000000 0.54632320590881 15.999 31 O 0.00031724926727 0.75000000000000 0.34644418232845 15.999 32 O 0.99421778911211 0.25000000000000 0.10518277109522 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.158146410000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.605756169999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.091334910000000 Atomic positions (fractional): *1 Tm 0.11944372006359 0.25000000000000 0.27467405614361 168.934 > 1 *2 Tm 0.13523358849034 0.25000000000000 0.94369560726971 168.934 > 2 3 Tm 0.36476641150966 0.75000000000000 0.44369560726971 168.934 > 3 4 Tm 0.38055627993641 0.75000000000000 0.77467405614361 168.934 > 4 5 Tm 0.61944372006359 0.25000000000000 0.22532594385639 168.934 > 5 6 Tm 0.63523358849033 0.25000000000000 0.55630439273029 168.934 > 6 7 Tm 0.86476641150967 0.75000000000000 0.05630439273029 168.934 > 7 8 Tm 0.88055627993641 0.75000000000000 0.72532594385639 168.934 > 8 *9 Ti 0.17023196427880 0.25000000000000 0.61711984038202 47.867 > 9 10 Ti 0.32976803572120 0.75000000000000 0.11711984038202 47.867 > 10 11 Ti 0.67023196427880 0.25000000000000 0.88288015961798 47.867 > 11 12 Ti 0.82976803572120 0.75000000000000 0.38288015961798 47.867 > 12 *13 O 0.00578221088789 0.75000000000000 0.89481722890478 15.999 > 13 *14 O 0.99968275073273 0.25000000000000 0.65355581767155 15.999 > 14 *15 O 0.22488962020043 0.25000000000000 0.45367679409119 15.999 > 15 *16 O 0.23856648194689 0.75000000000000 0.61440697610519 15.999 > 16 *17 O 0.24808188588837 0.75000000000000 0.27081199079239 15.999 > 17 18 O 0.25191811411163 0.25000000000000 0.77081199079240 15.999 > 18 19 O 0.26143351805311 0.25000000000000 0.11440697610519 15.999 > 19 20 O 0.27511037979957 0.75000000000000 0.95367679409119 15.999 > 20 21 O 0.50031724926727 0.75000000000000 0.15355581767155 15.999 > 21 22 O 0.49421778911211 0.25000000000000 0.39481722890478 15.999 > 22 23 O 0.50578221088789 0.75000000000000 0.60518277109522 15.999 > 23 24 O 0.49968275073273 0.25000000000000 0.84644418232845 15.999 > 24 25 O 0.72488962020043 0.25000000000000 0.04632320590881 15.999 > 25 26 O 0.73856648194689 0.75000000000000 0.88559302389481 15.999 > 26 27 O 0.74808188588837 0.75000000000000 0.22918800920760 15.999 > 27 28 O 0.75191811411163 0.25000000000000 0.72918800920760 15.999 > 28 29 O 0.76143351805311 0.25000000000000 0.38559302389481 15.999 > 29 30 O 0.77511037979957 0.75000000000000 0.54632320590881 15.999 > 30 31 O 0.00031724926727 0.75000000000000 0.34644418232845 15.999 > 31 32 O 0.99421778911211 0.25000000000000 0.10518277109522 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.158146410000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.817268509999995 0.000000000000000 c 0.000000000000000 0.000000000000000 11.091334910000000 Atomic positions (fractional): *1 Tm 0.11944372006359 0.08333333333333 0.27467405614361 168.934 > 1 2 Tm 0.11944372006359 0.41666666666667 0.27467405614361 168.934 > 1 3 Tm 0.11944372006359 0.75000000000000 0.27467405614361 168.934 > 1 *4 Tm 0.13523358849034 0.08333333333333 0.94369560726971 168.934 > 2 5 Tm 0.13523358849034 0.41666666666667 0.94369560726971 168.934 > 2 6 Tm 0.13523358849034 0.75000000000000 0.94369560726971 168.934 > 2 7 Tm 0.36476641150966 0.25000000000000 0.44369560726971 168.934 > 3 8 Tm 0.36476641150966 0.58333333333333 0.44369560726971 168.934 > 3 9 Tm 0.36476641150966 0.91666666666667 0.44369560726971 168.934 > 3 10 Tm 0.38055627993641 0.25000000000000 0.77467405614361 168.934 > 4 11 Tm 0.38055627993641 0.58333333333333 0.77467405614361 168.934 > 4 12 Tm 0.38055627993641 0.91666666666667 0.77467405614361 168.934 > 4 13 Tm 0.61944372006359 0.08333333333333 0.22532594385639 168.934 > 5 14 Tm 0.61944372006359 0.41666666666667 0.22532594385639 168.934 > 5 15 Tm 0.61944372006359 0.75000000000000 0.22532594385639 168.934 > 5 16 Tm 0.63523358849033 0.08333333333333 0.55630439273029 168.934 > 6 17 Tm 0.63523358849033 0.41666666666667 0.55630439273029 168.934 > 6 18 Tm 0.63523358849033 0.75000000000000 0.55630439273029 168.934 > 6 19 Tm 0.86476641150967 0.25000000000000 0.05630439273029 168.934 > 7 20 Tm 0.86476641150967 0.58333333333333 0.05630439273029 168.934 > 7 21 Tm 0.86476641150967 0.91666666666667 0.05630439273029 168.934 > 7 22 Tm 0.88055627993641 0.25000000000000 0.72532594385639 168.934 > 8 23 Tm 0.88055627993641 0.58333333333333 0.72532594385639 168.934 > 8 24 Tm 0.88055627993641 0.91666666666667 0.72532594385639 168.934 > 8 *25 Ti 0.17023196427880 0.08333333333333 0.61711984038202 47.867 > 9 26 Ti 0.17023196427880 0.41666666666667 0.61711984038202 47.867 > 9 27 Ti 0.17023196427880 0.75000000000000 0.61711984038202 47.867 > 9 28 Ti 0.32976803572120 0.25000000000000 0.11711984038202 47.867 > 10 29 Ti 0.32976803572120 0.58333333333333 0.11711984038202 47.867 > 10 30 Ti 0.32976803572120 0.91666666666667 0.11711984038202 47.867 > 10 31 Ti 0.67023196427880 0.08333333333333 0.88288015961798 47.867 > 11 32 Ti 0.67023196427880 0.41666666666667 0.88288015961798 47.867 > 11 33 Ti 0.67023196427880 0.75000000000000 0.88288015961798 47.867 > 11 34 Ti 0.82976803572120 0.25000000000000 0.38288015961798 47.867 > 12 35 Ti 0.82976803572120 0.58333333333333 0.38288015961798 47.867 > 12 36 Ti 0.82976803572120 0.91666666666667 0.38288015961798 47.867 > 12 *37 O 0.00578221088789 0.25000000000000 0.89481722890478 15.999 > 13 38 O 0.00578221088789 0.58333333333333 0.89481722890478 15.999 > 13 39 O 0.00578221088789 0.91666666666667 0.89481722890478 15.999 > 13 *40 O 0.99968275073273 0.08333333333333 0.65355581767155 15.999 > 14 41 O 0.99968275073273 0.41666666666667 0.65355581767155 15.999 > 14 42 O 0.99968275073273 0.75000000000000 0.65355581767155 15.999 > 14 *43 O 0.22488962020043 0.08333333333333 0.45367679409119 15.999 > 15 44 O 0.22488962020043 0.41666666666667 0.45367679409119 15.999 > 15 45 O 0.22488962020043 0.75000000000000 0.45367679409119 15.999 > 15 *46 O 0.23856648194689 0.25000000000000 0.61440697610519 15.999 > 16 47 O 0.23856648194689 0.58333333333333 0.61440697610519 15.999 > 16 48 O 0.23856648194689 0.91666666666667 0.61440697610519 15.999 > 16 *49 O 0.24808188588837 0.25000000000000 0.27081199079239 15.999 > 17 50 O 0.24808188588837 0.58333333333333 0.27081199079239 15.999 > 17 51 O 0.24808188588837 0.91666666666667 0.27081199079239 15.999 > 17 52 O 0.25191811411163 0.08333333333333 0.77081199079240 15.999 > 18 53 O 0.25191811411163 0.41666666666667 0.77081199079240 15.999 > 18 54 O 0.25191811411163 0.75000000000000 0.77081199079240 15.999 > 18 55 O 0.26143351805311 0.08333333333333 0.11440697610519 15.999 > 19 56 O 0.26143351805311 0.41666666666667 0.11440697610519 15.999 > 19 57 O 0.26143351805311 0.75000000000000 0.11440697610519 15.999 > 19 58 O 0.27511037979957 0.25000000000000 0.95367679409119 15.999 > 20 59 O 0.27511037979957 0.58333333333333 0.95367679409119 15.999 > 20 60 O 0.27511037979957 0.91666666666667 0.95367679409119 15.999 > 20 61 O 0.50031724926727 0.25000000000000 0.15355581767155 15.999 > 21 62 O 0.50031724926727 0.58333333333333 0.15355581767155 15.999 > 21 63 O 0.50031724926727 0.91666666666667 0.15355581767155 15.999 > 21 64 O 0.49421778911211 0.08333333333333 0.39481722890478 15.999 > 22 65 O 0.49421778911211 0.41666666666667 0.39481722890478 15.999 > 22 66 O 0.49421778911211 0.75000000000000 0.39481722890478 15.999 > 22 67 O 0.50578221088789 0.25000000000000 0.60518277109522 15.999 > 23 68 O 0.50578221088789 0.58333333333333 0.60518277109522 15.999 > 23 69 O 0.50578221088789 0.91666666666667 0.60518277109522 15.999 > 23 70 O 0.49968275073273 0.08333333333333 0.84644418232845 15.999 > 24 71 O 0.49968275073273 0.41666666666667 0.84644418232845 15.999 > 24 72 O 0.49968275073273 0.75000000000000 0.84644418232845 15.999 > 24 73 O 0.72488962020043 0.08333333333333 0.04632320590881 15.999 > 25 74 O 0.72488962020043 0.41666666666667 0.04632320590881 15.999 > 25 75 O 0.72488962020043 0.75000000000000 0.04632320590881 15.999 > 25 76 O 0.73856648194689 0.25000000000000 0.88559302389481 15.999 > 26 77 O 0.73856648194689 0.58333333333333 0.88559302389481 15.999 > 26 78 O 0.73856648194689 0.91666666666667 0.88559302389481 15.999 > 26 79 O 0.74808188588837 0.25000000000000 0.22918800920760 15.999 > 27 80 O 0.74808188588837 0.58333333333333 0.22918800920760 15.999 > 27 81 O 0.74808188588837 0.91666666666667 0.22918800920760 15.999 > 27 82 O 0.75191811411163 0.08333333333333 0.72918800920760 15.999 > 28 83 O 0.75191811411163 0.41666666666667 0.72918800920760 15.999 > 28 84 O 0.75191811411163 0.75000000000000 0.72918800920760 15.999 > 28 85 O 0.76143351805311 0.08333333333333 0.38559302389481 15.999 > 29 86 O 0.76143351805311 0.41666666666667 0.38559302389481 15.999 > 29 87 O 0.76143351805311 0.75000000000000 0.38559302389481 15.999 > 29 88 O 0.77511037979957 0.25000000000000 0.54632320590881 15.999 > 30 89 O 0.77511037979957 0.58333333333333 0.54632320590881 15.999 > 30 90 O 0.77511037979957 0.91666666666667 0.54632320590881 15.999 > 30 91 O 0.00031724926727 0.25000000000000 0.34644418232845 15.999 > 31 92 O 0.00031724926727 0.58333333333333 0.34644418232845 15.999 > 31 93 O 0.00031724926727 0.91666666666667 0.34644418232845 15.999 > 31 94 O 0.99421778911211 0.08333333333333 0.10518277109522 15.999 > 32 95 O 0.99421778911211 0.41666666666667 0.10518277109522 15.999 > 32 96 O 0.99421778911211 0.75000000000000 0.10518277109522 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4072142 0.0000000 0.0000000 0.0000000 4.5996322 0.0000000 0.0000000 0.0000000 4.5942815 -------------------------- Born effective charges -------------------------- 1 Tm 4.1888348 0.0000000 -0.1250821 0.0000000 3.7806151 0.0000000 0.3679971 0.0000000 4.0579846 2 Tm 3.7981562 0.0000000 -0.2940626 0.0000000 3.8151854 0.0000000 0.0746090 0.0000000 3.6188835 3 Tm 3.7981562 0.0000000 0.2940626 0.0000000 3.8151854 0.0000000 -0.0746090 0.0000000 3.6188835 4 Tm 4.1888348 0.0000000 0.1250821 0.0000000 3.7806151 0.0000000 -0.3679971 0.0000000 4.0579846 5 Tm 4.1888348 0.0000000 0.1250821 0.0000000 3.7806151 0.0000000 -0.3679971 0.0000000 4.0579846 6 Tm 3.7981562 0.0000000 0.2940626 0.0000000 3.8151854 0.0000000 -0.0746090 0.0000000 3.6188835 7 Tm 3.7981562 0.0000000 -0.2940626 0.0000000 3.8151854 0.0000000 0.0746090 0.0000000 3.6188835 8 Tm 4.1888348 0.0000000 -0.1250821 0.0000000 3.7806151 0.0000000 0.3679971 0.0000000 4.0579846 9 Ti 3.5659249 0.0000000 -0.1038135 0.0000000 5.1135856 0.0000000 -0.4418956 0.0000000 4.6526035 10 Ti 3.5659249 0.0000000 0.1038135 0.0000000 5.1135856 0.0000000 0.4418956 0.0000000 4.6526035 11 Ti 3.5659249 0.0000000 0.1038135 0.0000000 5.1135856 0.0000000 0.4418956 0.0000000 4.6526035 12 Ti 3.5659249 0.0000000 -0.1038135 0.0000000 5.1135856 0.0000000 -0.4418956 0.0000000 4.6526035 13 O -2.4840833 0.0000000 -0.0535821 0.0000000 -2.3389140 0.0000000 -0.4155865 0.0000000 -2.4761147 14 O -3.4667805 0.0000000 0.8042180 0.0000000 -1.7885107 0.0000000 0.7539514 0.0000000 -1.3135589 15 O -1.8793435 0.0000000 0.1026600 0.0000000 -2.2498935 0.0000000 0.3668936 0.0000000 -3.6239907 16 O -1.5683694 0.0000000 -0.0959650 0.0000000 -3.9690762 0.0000000 0.0879226 0.0000000 -1.8119134 17 O -2.1543391 0.0000000 0.3443536 0.0000000 -2.3629918 0.0000000 0.4053798 0.0000000 -3.1038939 18 O -2.1543391 0.0000000 -0.3443536 0.0000000 -2.3629918 0.0000000 -0.4053798 0.0000000 -3.1038939 19 O -1.5683694 0.0000000 0.0959650 0.0000000 -3.9690762 0.0000000 -0.0879226 0.0000000 -1.8119134 20 O -1.8793435 0.0000000 -0.1026600 0.0000000 -2.2498935 0.0000000 -0.3668936 0.0000000 -3.6239907 21 O -3.4667805 0.0000000 -0.8042180 0.0000000 -1.7885107 0.0000000 -0.7539514 0.0000000 -1.3135589 22 O -2.4840833 0.0000000 0.0535821 0.0000000 -2.3389140 0.0000000 0.4155865 0.0000000 -2.4761147 23 O -2.4840833 0.0000000 0.0535821 0.0000000 -2.3389140 0.0000000 0.4155865 0.0000000 -2.4761147 24 O -3.4667805 0.0000000 -0.8042180 0.0000000 -1.7885107 0.0000000 -0.7539514 0.0000000 -1.3135589 25 O -1.8793435 0.0000000 -0.1026600 0.0000000 -2.2498935 0.0000000 -0.3668936 0.0000000 -3.6239907 26 O -1.5683694 0.0000000 0.0959650 0.0000000 -3.9690762 0.0000000 -0.0879226 0.0000000 -1.8119134 27 O -2.1543391 0.0000000 -0.3443536 0.0000000 -2.3629918 0.0000000 -0.4053798 0.0000000 -3.1038939 28 O -2.1543391 0.0000000 0.3443536 0.0000000 -2.3629918 0.0000000 0.4053798 0.0000000 -3.1038939 29 O -1.5683694 0.0000000 -0.0959650 0.0000000 -3.9690762 0.0000000 0.0879226 0.0000000 -1.8119134 30 O -1.8793435 0.0000000 0.1026600 0.0000000 -2.2498935 0.0000000 0.3668936 0.0000000 -3.6239907 31 O -3.4667805 0.0000000 0.8042180 0.0000000 -1.7885107 0.0000000 0.7539514 0.0000000 -1.3135589 32 O -2.4840833 0.0000000 -0.0535821 0.0000000 -2.3389140 0.0000000 -0.4155865 0.0000000 -2.4761147 ---------------------------------------------------------------------------- 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: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 2.561 Solver_block: 200 / 480 - Time: 2.580 Solver_block: 300 / 480 - Time: 2.580 Solver_block: 400 / 480 - Time: 2.582 Solver_block: 480 / 480 - Time: 2.105 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.457 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1888 Number of blocks in projector: 1888 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 234 eigenvectors found. (2) Block: 512 / 512 (2) 246 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 496 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1888, 1848), data: False |-- (256, 256), data: True |-- (256, 256), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (288, 280), data: True |-- (512, 496), data: False |-- (512, 496), data: False |-- (512, 16), data: (512, 32) @ (32, 16) |-- (262, 246), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:46:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:46:19]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.158146410000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.605756169999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.091334910000000 Atomic positions (fractional): 1 Tm 0.11944372006359 0.25000000000000 0.27467405614361 168.934 2 Tm 0.13523358849034 0.25000000000000 0.94369560726971 168.934 3 Tm 0.36476641150966 0.75000000000000 0.44369560726971 168.934 4 Tm 0.38055627993641 0.75000000000000 0.77467405614361 168.934 5 Tm 0.61944372006359 0.25000000000000 0.22532594385639 168.934 6 Tm 0.63523358849033 0.25000000000000 0.55630439273029 168.934 7 Tm 0.86476641150967 0.75000000000000 0.05630439273029 168.934 8 Tm 0.88055627993641 0.75000000000000 0.72532594385639 168.934 9 Ti 0.17023196427880 0.25000000000000 0.61711984038202 47.867 10 Ti 0.32976803572120 0.75000000000000 0.11711984038202 47.867 11 Ti 0.67023196427880 0.25000000000000 0.88288015961798 47.867 12 Ti 0.82976803572120 0.75000000000000 0.38288015961798 47.867 13 O 0.00578221088789 0.75000000000000 0.89481722890478 15.999 14 O 0.99968275073273 0.25000000000000 0.65355581767155 15.999 15 O 0.22488962020043 0.25000000000000 0.45367679409119 15.999 16 O 0.23856648194689 0.75000000000000 0.61440697610519 15.999 17 O 0.24808188588837 0.75000000000000 0.27081199079239 15.999 18 O 0.25191811411163 0.25000000000000 0.77081199079240 15.999 19 O 0.26143351805311 0.25000000000000 0.11440697610519 15.999 20 O 0.27511037979957 0.75000000000000 0.95367679409119 15.999 21 O 0.50031724926727 0.75000000000000 0.15355581767155 15.999 22 O 0.49421778911211 0.25000000000000 0.39481722890478 15.999 23 O 0.50578221088789 0.75000000000000 0.60518277109522 15.999 24 O 0.49968275073273 0.25000000000000 0.84644418232845 15.999 25 O 0.72488962020043 0.25000000000000 0.04632320590881 15.999 26 O 0.73856648194689 0.75000000000000 0.88559302389481 15.999 27 O 0.74808188588837 0.75000000000000 0.22918800920760 15.999 28 O 0.75191811411163 0.25000000000000 0.72918800920760 15.999 29 O 0.76143351805311 0.25000000000000 0.38559302389481 15.999 30 O 0.77511037979957 0.75000000000000 0.54632320590881 15.999 31 O 0.00031724926727 0.75000000000000 0.34644418232845 15.999 32 O 0.99421778911211 0.25000000000000 0.10518277109522 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.158146410000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.817268509999995 0.000000000000000 c 0.000000000000000 0.000000000000000 11.091334910000000 Atomic positions (fractional): 1 Tm 0.11944372006359 0.08333333333333 0.27467405614361 168.934 > 1 2 Tm 0.11944372006359 0.41666666666667 0.27467405614361 168.934 > 1 3 Tm 0.11944372006359 0.75000000000000 0.27467405614361 168.934 > 1 4 Tm 0.13523358849034 0.08333333333333 0.94369560726971 168.934 > 4 5 Tm 0.13523358849034 0.41666666666667 0.94369560726971 168.934 > 4 6 Tm 0.13523358849034 0.75000000000000 0.94369560726971 168.934 > 4 7 Tm 0.36476641150966 0.25000000000000 0.44369560726971 168.934 > 7 8 Tm 0.36476641150966 0.58333333333333 0.44369560726971 168.934 > 7 9 Tm 0.36476641150966 0.91666666666667 0.44369560726971 168.934 > 7 10 Tm 0.38055627993641 0.25000000000000 0.77467405614361 168.934 > 10 11 Tm 0.38055627993641 0.58333333333333 0.77467405614361 168.934 > 10 12 Tm 0.38055627993641 0.91666666666667 0.77467405614361 168.934 > 10 13 Tm 0.61944372006359 0.08333333333333 0.22532594385639 168.934 > 13 14 Tm 0.61944372006359 0.41666666666667 0.22532594385639 168.934 > 13 15 Tm 0.61944372006359 0.75000000000000 0.22532594385639 168.934 > 13 16 Tm 0.63523358849033 0.08333333333333 0.55630439273029 168.934 > 16 17 Tm 0.63523358849033 0.41666666666667 0.55630439273029 168.934 > 16 18 Tm 0.63523358849033 0.75000000000000 0.55630439273029 168.934 > 16 19 Tm 0.86476641150967 0.25000000000000 0.05630439273029 168.934 > 19 20 Tm 0.86476641150967 0.58333333333333 0.05630439273029 168.934 > 19 21 Tm 0.86476641150967 0.91666666666667 0.05630439273029 168.934 > 19 22 Tm 0.88055627993641 0.25000000000000 0.72532594385639 168.934 > 22 23 Tm 0.88055627993641 0.58333333333333 0.72532594385639 168.934 > 22 24 Tm 0.88055627993641 0.91666666666667 0.72532594385639 168.934 > 22 25 Ti 0.17023196427880 0.08333333333333 0.61711984038202 47.867 > 25 26 Ti 0.17023196427880 0.41666666666667 0.61711984038202 47.867 > 25 27 Ti 0.17023196427880 0.75000000000000 0.61711984038202 47.867 > 25 28 Ti 0.32976803572120 0.25000000000000 0.11711984038202 47.867 > 28 29 Ti 0.32976803572120 0.58333333333333 0.11711984038202 47.867 > 28 30 Ti 0.32976803572120 0.91666666666667 0.11711984038202 47.867 > 28 31 Ti 0.67023196427880 0.08333333333333 0.88288015961798 47.867 > 31 32 Ti 0.67023196427880 0.41666666666667 0.88288015961798 47.867 > 31 33 Ti 0.67023196427880 0.75000000000000 0.88288015961798 47.867 > 31 34 Ti 0.82976803572120 0.25000000000000 0.38288015961798 47.867 > 34 35 Ti 0.82976803572120 0.58333333333333 0.38288015961798 47.867 > 34 36 Ti 0.82976803572120 0.91666666666667 0.38288015961798 47.867 > 34 37 O 0.00578221088789 0.25000000000000 0.89481722890478 15.999 > 37 38 O 0.00578221088789 0.58333333333333 0.89481722890478 15.999 > 37 39 O 0.00578221088789 0.91666666666667 0.89481722890478 15.999 > 37 40 O 0.99968275073273 0.08333333333333 0.65355581767155 15.999 > 40 41 O 0.99968275073273 0.41666666666667 0.65355581767155 15.999 > 40 42 O 0.99968275073273 0.75000000000000 0.65355581767155 15.999 > 40 43 O 0.22488962020043 0.08333333333333 0.45367679409119 15.999 > 43 44 O 0.22488962020043 0.41666666666667 0.45367679409119 15.999 > 43 45 O 0.22488962020043 0.75000000000000 0.45367679409119 15.999 > 43 46 O 0.23856648194689 0.25000000000000 0.61440697610519 15.999 > 46 47 O 0.23856648194689 0.58333333333333 0.61440697610519 15.999 > 46 48 O 0.23856648194689 0.91666666666667 0.61440697610519 15.999 > 46 49 O 0.24808188588837 0.25000000000000 0.27081199079239 15.999 > 49 50 O 0.24808188588837 0.58333333333333 0.27081199079239 15.999 > 49 51 O 0.24808188588837 0.91666666666667 0.27081199079239 15.999 > 49 52 O 0.25191811411163 0.08333333333333 0.77081199079240 15.999 > 52 53 O 0.25191811411163 0.41666666666667 0.77081199079240 15.999 > 52 54 O 0.25191811411163 0.75000000000000 0.77081199079240 15.999 > 52 55 O 0.26143351805311 0.08333333333333 0.11440697610519 15.999 > 55 56 O 0.26143351805311 0.41666666666667 0.11440697610519 15.999 > 55 57 O 0.26143351805311 0.75000000000000 0.11440697610519 15.999 > 55 58 O 0.27511037979957 0.25000000000000 0.95367679409119 15.999 > 58 59 O 0.27511037979957 0.58333333333333 0.95367679409119 15.999 > 58 60 O 0.27511037979957 0.91666666666667 0.95367679409119 15.999 > 58 61 O 0.50031724926727 0.25000000000000 0.15355581767155 15.999 > 61 62 O 0.50031724926727 0.58333333333333 0.15355581767155 15.999 > 61 63 O 0.50031724926727 0.91666666666667 0.15355581767155 15.999 > 61 64 O 0.49421778911211 0.08333333333333 0.39481722890478 15.999 > 64 65 O 0.49421778911211 0.41666666666667 0.39481722890478 15.999 > 64 66 O 0.49421778911211 0.75000000000000 0.39481722890478 15.999 > 64 67 O 0.50578221088789 0.25000000000000 0.60518277109522 15.999 > 67 68 O 0.50578221088789 0.58333333333333 0.60518277109522 15.999 > 67 69 O 0.50578221088789 0.91666666666667 0.60518277109522 15.999 > 67 70 O 0.49968275073273 0.08333333333333 0.84644418232845 15.999 > 70 71 O 0.49968275073273 0.41666666666667 0.84644418232845 15.999 > 70 72 O 0.49968275073273 0.75000000000000 0.84644418232845 15.999 > 70 73 O 0.72488962020043 0.08333333333333 0.04632320590881 15.999 > 73 74 O 0.72488962020043 0.41666666666667 0.04632320590881 15.999 > 73 75 O 0.72488962020043 0.75000000000000 0.04632320590881 15.999 > 73 76 O 0.73856648194689 0.25000000000000 0.88559302389481 15.999 > 76 77 O 0.73856648194689 0.58333333333333 0.88559302389481 15.999 > 76 78 O 0.73856648194689 0.91666666666667 0.88559302389481 15.999 > 76 79 O 0.74808188588837 0.25000000000000 0.22918800920760 15.999 > 79 80 O 0.74808188588837 0.58333333333333 0.22918800920760 15.999 > 79 81 O 0.74808188588837 0.91666666666667 0.22918800920760 15.999 > 79 82 O 0.75191811411163 0.08333333333333 0.72918800920760 15.999 > 82 83 O 0.75191811411163 0.41666666666667 0.72918800920760 15.999 > 82 84 O 0.75191811411163 0.75000000000000 0.72918800920760 15.999 > 82 85 O 0.76143351805311 0.08333333333333 0.38559302389481 15.999 > 85 86 O 0.76143351805311 0.41666666666667 0.38559302389481 15.999 > 85 87 O 0.76143351805311 0.75000000000000 0.38559302389481 15.999 > 85 88 O 0.77511037979957 0.25000000000000 0.54632320590881 15.999 > 88 89 O 0.77511037979957 0.58333333333333 0.54632320590881 15.999 > 88 90 O 0.77511037979957 0.91666666666667 0.54632320590881 15.999 > 88 91 O 0.00031724926727 0.25000000000000 0.34644418232845 15.999 > 91 92 O 0.00031724926727 0.58333333333333 0.34644418232845 15.999 > 91 93 O 0.00031724926727 0.91666666666667 0.34644418232845 15.999 > 91 94 O 0.99421778911211 0.08333333333333 0.10518277109522 15.999 > 94 95 O 0.99421778911211 0.41666666666667 0.10518277109522 15.999 > 94 96 O 0.99421778911211 0.75000000000000 0.10518277109522 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4072142 0.0000000 0.0000000 0.0000000 4.5996322 0.0000000 0.0000000 0.0000000 4.5942815 -------------------------- Born effective charges -------------------------- 1 Tm 4.1888348 0.0000000 -0.1250821 0.0000000 3.7806151 0.0000000 0.3679971 0.0000000 4.0579846 2 Tm 3.7981562 0.0000000 -0.2940626 0.0000000 3.8151854 0.0000000 0.0746090 0.0000000 3.6188835 3 Tm 3.7981562 0.0000000 0.2940626 0.0000000 3.8151854 0.0000000 -0.0746090 0.0000000 3.6188835 4 Tm 4.1888348 0.0000000 0.1250821 0.0000000 3.7806151 0.0000000 -0.3679971 0.0000000 4.0579846 5 Tm 4.1888348 0.0000000 0.1250821 0.0000000 3.7806151 0.0000000 -0.3679971 0.0000000 4.0579846 6 Tm 3.7981562 0.0000000 0.2940626 0.0000000 3.8151854 0.0000000 -0.0746090 0.0000000 3.6188835 7 Tm 3.7981562 0.0000000 -0.2940626 0.0000000 3.8151854 0.0000000 0.0746090 0.0000000 3.6188835 8 Tm 4.1888348 0.0000000 -0.1250821 0.0000000 3.7806151 0.0000000 0.3679971 0.0000000 4.0579846 9 Ti 3.5659249 0.0000000 -0.1038135 0.0000000 5.1135856 0.0000000 -0.4418956 0.0000000 4.6526035 10 Ti 3.5659249 0.0000000 0.1038135 0.0000000 5.1135856 0.0000000 0.4418956 0.0000000 4.6526035 11 Ti 3.5659249 0.0000000 0.1038135 0.0000000 5.1135856 0.0000000 0.4418956 0.0000000 4.6526035 12 Ti 3.5659249 0.0000000 -0.1038135 0.0000000 5.1135856 0.0000000 -0.4418956 0.0000000 4.6526035 13 O -2.4840833 0.0000000 -0.0535821 0.0000000 -2.3389140 0.0000000 -0.4155865 0.0000000 -2.4761147 14 O -3.4667805 0.0000000 0.8042180 0.0000000 -1.7885107 0.0000000 0.7539514 0.0000000 -1.3135589 15 O -1.8793435 0.0000000 0.1026600 0.0000000 -2.2498935 0.0000000 0.3668936 0.0000000 -3.6239907 16 O -1.5683694 0.0000000 -0.0959650 0.0000000 -3.9690762 0.0000000 0.0879226 0.0000000 -1.8119134 17 O -2.1543391 0.0000000 0.3443536 0.0000000 -2.3629918 0.0000000 0.4053798 0.0000000 -3.1038939 18 O -2.1543391 0.0000000 -0.3443536 0.0000000 -2.3629918 0.0000000 -0.4053798 0.0000000 -3.1038939 19 O -1.5683694 0.0000000 0.0959650 0.0000000 -3.9690762 0.0000000 -0.0879226 0.0000000 -1.8119134 20 O -1.8793435 0.0000000 -0.1026600 0.0000000 -2.2498935 0.0000000 -0.3668936 0.0000000 -3.6239907 21 O -3.4667805 0.0000000 -0.8042180 0.0000000 -1.7885107 0.0000000 -0.7539514 0.0000000 -1.3135589 22 O -2.4840833 0.0000000 0.0535821 0.0000000 -2.3389140 0.0000000 0.4155865 0.0000000 -2.4761147 23 O -2.4840833 0.0000000 0.0535821 0.0000000 -2.3389140 0.0000000 0.4155865 0.0000000 -2.4761147 24 O -3.4667805 0.0000000 -0.8042180 0.0000000 -1.7885107 0.0000000 -0.7539514 0.0000000 -1.3135589 25 O -1.8793435 0.0000000 -0.1026600 0.0000000 -2.2498935 0.0000000 -0.3668936 0.0000000 -3.6239907 26 O -1.5683694 0.0000000 0.0959650 0.0000000 -3.9690762 0.0000000 -0.0879226 0.0000000 -1.8119134 27 O -2.1543391 0.0000000 -0.3443536 0.0000000 -2.3629918 0.0000000 -0.4053798 0.0000000 -3.1038939 28 O -2.1543391 0.0000000 0.3443536 0.0000000 -2.3629918 0.0000000 0.4053798 0.0000000 -3.1038939 29 O -1.5683694 0.0000000 -0.0959650 0.0000000 -3.9690762 0.0000000 0.0879226 0.0000000 -1.8119134 30 O -1.8793435 0.0000000 0.1026600 0.0000000 -2.2498935 0.0000000 0.3668936 0.0000000 -3.6239907 31 O -3.4667805 0.0000000 0.8042180 0.0000000 -1.7885107 0.0000000 0.7539514 0.0000000 -1.3135589 32 O -2.4840833 0.0000000 -0.0535821 0.0000000 -2.3389140 0.0000000 -0.4155865 0.0000000 -2.4761147 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 22:46:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:46:42]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.158146410000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.605756169999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.091334910000000 Atomic positions (fractional): 1 Tm 0.11944372006359 0.25000000000000 0.27467405614361 168.934 2 Tm 0.13523358849034 0.25000000000000 0.94369560726971 168.934 3 Tm 0.36476641150966 0.75000000000000 0.44369560726971 168.934 4 Tm 0.38055627993641 0.75000000000000 0.77467405614361 168.934 5 Tm 0.61944372006359 0.25000000000000 0.22532594385639 168.934 6 Tm 0.63523358849033 0.25000000000000 0.55630439273029 168.934 7 Tm 0.86476641150967 0.75000000000000 0.05630439273029 168.934 8 Tm 0.88055627993641 0.75000000000000 0.72532594385639 168.934 9 Ti 0.17023196427880 0.25000000000000 0.61711984038202 47.867 10 Ti 0.32976803572120 0.75000000000000 0.11711984038202 47.867 11 Ti 0.67023196427880 0.25000000000000 0.88288015961798 47.867 12 Ti 0.82976803572120 0.75000000000000 0.38288015961798 47.867 13 O 0.00578221088789 0.75000000000000 0.89481722890478 15.999 14 O 0.99968275073273 0.25000000000000 0.65355581767155 15.999 15 O 0.22488962020043 0.25000000000000 0.45367679409119 15.999 16 O 0.23856648194689 0.75000000000000 0.61440697610519 15.999 17 O 0.24808188588837 0.75000000000000 0.27081199079239 15.999 18 O 0.25191811411163 0.25000000000000 0.77081199079240 15.999 19 O 0.26143351805311 0.25000000000000 0.11440697610519 15.999 20 O 0.27511037979957 0.75000000000000 0.95367679409119 15.999 21 O 0.50031724926727 0.75000000000000 0.15355581767155 15.999 22 O 0.49421778911211 0.25000000000000 0.39481722890478 15.999 23 O 0.50578221088789 0.75000000000000 0.60518277109522 15.999 24 O 0.49968275073273 0.25000000000000 0.84644418232845 15.999 25 O 0.72488962020043 0.25000000000000 0.04632320590881 15.999 26 O 0.73856648194689 0.75000000000000 0.88559302389481 15.999 27 O 0.74808188588837 0.75000000000000 0.22918800920760 15.999 28 O 0.75191811411163 0.25000000000000 0.72918800920760 15.999 29 O 0.76143351805311 0.25000000000000 0.38559302389481 15.999 30 O 0.77511037979957 0.75000000000000 0.54632320590881 15.999 31 O 0.00031724926727 0.75000000000000 0.34644418232845 15.999 32 O 0.99421778911211 0.25000000000000 0.10518277109522 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.158146410000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.817268509999995 0.000000000000000 c 0.000000000000000 0.000000000000000 11.091334910000000 Atomic positions (fractional): 1 Tm 0.11944372006359 0.08333333333333 0.27467405614361 168.934 > 1 2 Tm 0.11944372006359 0.41666666666667 0.27467405614361 168.934 > 1 3 Tm 0.11944372006359 0.75000000000000 0.27467405614361 168.934 > 1 4 Tm 0.13523358849034 0.08333333333333 0.94369560726971 168.934 > 4 5 Tm 0.13523358849034 0.41666666666667 0.94369560726971 168.934 > 4 6 Tm 0.13523358849034 0.75000000000000 0.94369560726971 168.934 > 4 7 Tm 0.36476641150966 0.25000000000000 0.44369560726971 168.934 > 7 8 Tm 0.36476641150966 0.58333333333333 0.44369560726971 168.934 > 7 9 Tm 0.36476641150966 0.91666666666667 0.44369560726971 168.934 > 7 10 Tm 0.38055627993641 0.25000000000000 0.77467405614361 168.934 > 10 11 Tm 0.38055627993641 0.58333333333333 0.77467405614361 168.934 > 10 12 Tm 0.38055627993641 0.91666666666667 0.77467405614361 168.934 > 10 13 Tm 0.61944372006359 0.08333333333333 0.22532594385639 168.934 > 13 14 Tm 0.61944372006359 0.41666666666667 0.22532594385639 168.934 > 13 15 Tm 0.61944372006359 0.75000000000000 0.22532594385639 168.934 > 13 16 Tm 0.63523358849033 0.08333333333333 0.55630439273029 168.934 > 16 17 Tm 0.63523358849033 0.41666666666667 0.55630439273029 168.934 > 16 18 Tm 0.63523358849033 0.75000000000000 0.55630439273029 168.934 > 16 19 Tm 0.86476641150967 0.25000000000000 0.05630439273029 168.934 > 19 20 Tm 0.86476641150967 0.58333333333333 0.05630439273029 168.934 > 19 21 Tm 0.86476641150967 0.91666666666667 0.05630439273029 168.934 > 19 22 Tm 0.88055627993641 0.25000000000000 0.72532594385639 168.934 > 22 23 Tm 0.88055627993641 0.58333333333333 0.72532594385639 168.934 > 22 24 Tm 0.88055627993641 0.91666666666667 0.72532594385639 168.934 > 22 25 Ti 0.17023196427880 0.08333333333333 0.61711984038202 47.867 > 25 26 Ti 0.17023196427880 0.41666666666667 0.61711984038202 47.867 > 25 27 Ti 0.17023196427880 0.75000000000000 0.61711984038202 47.867 > 25 28 Ti 0.32976803572120 0.25000000000000 0.11711984038202 47.867 > 28 29 Ti 0.32976803572120 0.58333333333333 0.11711984038202 47.867 > 28 30 Ti 0.32976803572120 0.91666666666667 0.11711984038202 47.867 > 28 31 Ti 0.67023196427880 0.08333333333333 0.88288015961798 47.867 > 31 32 Ti 0.67023196427880 0.41666666666667 0.88288015961798 47.867 > 31 33 Ti 0.67023196427880 0.75000000000000 0.88288015961798 47.867 > 31 34 Ti 0.82976803572120 0.25000000000000 0.38288015961798 47.867 > 34 35 Ti 0.82976803572120 0.58333333333333 0.38288015961798 47.867 > 34 36 Ti 0.82976803572120 0.91666666666667 0.38288015961798 47.867 > 34 37 O 0.00578221088789 0.25000000000000 0.89481722890478 15.999 > 37 38 O 0.00578221088789 0.58333333333333 0.89481722890478 15.999 > 37 39 O 0.00578221088789 0.91666666666667 0.89481722890478 15.999 > 37 40 O 0.99968275073273 0.08333333333333 0.65355581767155 15.999 > 40 41 O 0.99968275073273 0.41666666666667 0.65355581767155 15.999 > 40 42 O 0.99968275073273 0.75000000000000 0.65355581767155 15.999 > 40 43 O 0.22488962020043 0.08333333333333 0.45367679409119 15.999 > 43 44 O 0.22488962020043 0.41666666666667 0.45367679409119 15.999 > 43 45 O 0.22488962020043 0.75000000000000 0.45367679409119 15.999 > 43 46 O 0.23856648194689 0.25000000000000 0.61440697610519 15.999 > 46 47 O 0.23856648194689 0.58333333333333 0.61440697610519 15.999 > 46 48 O 0.23856648194689 0.91666666666667 0.61440697610519 15.999 > 46 49 O 0.24808188588837 0.25000000000000 0.27081199079239 15.999 > 49 50 O 0.24808188588837 0.58333333333333 0.27081199079239 15.999 > 49 51 O 0.24808188588837 0.91666666666667 0.27081199079239 15.999 > 49 52 O 0.25191811411163 0.08333333333333 0.77081199079240 15.999 > 52 53 O 0.25191811411163 0.41666666666667 0.77081199079240 15.999 > 52 54 O 0.25191811411163 0.75000000000000 0.77081199079240 15.999 > 52 55 O 0.26143351805311 0.08333333333333 0.11440697610519 15.999 > 55 56 O 0.26143351805311 0.41666666666667 0.11440697610519 15.999 > 55 57 O 0.26143351805311 0.75000000000000 0.11440697610519 15.999 > 55 58 O 0.27511037979957 0.25000000000000 0.95367679409119 15.999 > 58 59 O 0.27511037979957 0.58333333333333 0.95367679409119 15.999 > 58 60 O 0.27511037979957 0.91666666666667 0.95367679409119 15.999 > 58 61 O 0.50031724926727 0.25000000000000 0.15355581767155 15.999 > 61 62 O 0.50031724926727 0.58333333333333 0.15355581767155 15.999 > 61 63 O 0.50031724926727 0.91666666666667 0.15355581767155 15.999 > 61 64 O 0.49421778911211 0.08333333333333 0.39481722890478 15.999 > 64 65 O 0.49421778911211 0.41666666666667 0.39481722890478 15.999 > 64 66 O 0.49421778911211 0.75000000000000 0.39481722890478 15.999 > 64 67 O 0.50578221088789 0.25000000000000 0.60518277109522 15.999 > 67 68 O 0.50578221088789 0.58333333333333 0.60518277109522 15.999 > 67 69 O 0.50578221088789 0.91666666666667 0.60518277109522 15.999 > 67 70 O 0.49968275073273 0.08333333333333 0.84644418232845 15.999 > 70 71 O 0.49968275073273 0.41666666666667 0.84644418232845 15.999 > 70 72 O 0.49968275073273 0.75000000000000 0.84644418232845 15.999 > 70 73 O 0.72488962020043 0.08333333333333 0.04632320590881 15.999 > 73 74 O 0.72488962020043 0.41666666666667 0.04632320590881 15.999 > 73 75 O 0.72488962020043 0.75000000000000 0.04632320590881 15.999 > 73 76 O 0.73856648194689 0.25000000000000 0.88559302389481 15.999 > 76 77 O 0.73856648194689 0.58333333333333 0.88559302389481 15.999 > 76 78 O 0.73856648194689 0.91666666666667 0.88559302389481 15.999 > 76 79 O 0.74808188588837 0.25000000000000 0.22918800920760 15.999 > 79 80 O 0.74808188588837 0.58333333333333 0.22918800920760 15.999 > 79 81 O 0.74808188588837 0.91666666666667 0.22918800920760 15.999 > 79 82 O 0.75191811411163 0.08333333333333 0.72918800920760 15.999 > 82 83 O 0.75191811411163 0.41666666666667 0.72918800920760 15.999 > 82 84 O 0.75191811411163 0.75000000000000 0.72918800920760 15.999 > 82 85 O 0.76143351805311 0.08333333333333 0.38559302389481 15.999 > 85 86 O 0.76143351805311 0.41666666666667 0.38559302389481 15.999 > 85 87 O 0.76143351805311 0.75000000000000 0.38559302389481 15.999 > 85 88 O 0.77511037979957 0.25000000000000 0.54632320590881 15.999 > 88 89 O 0.77511037979957 0.58333333333333 0.54632320590881 15.999 > 88 90 O 0.77511037979957 0.91666666666667 0.54632320590881 15.999 > 88 91 O 0.00031724926727 0.25000000000000 0.34644418232845 15.999 > 91 92 O 0.00031724926727 0.58333333333333 0.34644418232845 15.999 > 91 93 O 0.00031724926727 0.91666666666667 0.34644418232845 15.999 > 91 94 O 0.99421778911211 0.08333333333333 0.10518277109522 15.999 > 94 95 O 0.99421778911211 0.41666666666667 0.10518277109522 15.999 > 94 96 O 0.99421778911211 0.75000000000000 0.10518277109522 15.999 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4072142 0.0000000 0.0000000 0.0000000 4.5996322 0.0000000 0.0000000 0.0000000 4.5942815 -------------------------- Born effective charges -------------------------- 1 Tm 4.1888348 0.0000000 -0.1250821 0.0000000 3.7806151 0.0000000 0.3679971 0.0000000 4.0579846 2 Tm 3.7981562 0.0000000 -0.2940626 0.0000000 3.8151854 0.0000000 0.0746090 0.0000000 3.6188835 3 Tm 3.7981562 0.0000000 0.2940626 0.0000000 3.8151854 0.0000000 -0.0746090 0.0000000 3.6188835 4 Tm 4.1888348 0.0000000 0.1250821 0.0000000 3.7806151 0.0000000 -0.3679971 0.0000000 4.0579846 5 Tm 4.1888348 0.0000000 0.1250821 0.0000000 3.7806151 0.0000000 -0.3679971 0.0000000 4.0579846 6 Tm 3.7981562 0.0000000 0.2940626 0.0000000 3.8151854 0.0000000 -0.0746090 0.0000000 3.6188835 7 Tm 3.7981562 0.0000000 -0.2940626 0.0000000 3.8151854 0.0000000 0.0746090 0.0000000 3.6188835 8 Tm 4.1888348 0.0000000 -0.1250821 0.0000000 3.7806151 0.0000000 0.3679971 0.0000000 4.0579846 9 Ti 3.5659249 0.0000000 -0.1038135 0.0000000 5.1135856 0.0000000 -0.4418956 0.0000000 4.6526035 10 Ti 3.5659249 0.0000000 0.1038135 0.0000000 5.1135856 0.0000000 0.4418956 0.0000000 4.6526035 11 Ti 3.5659249 0.0000000 0.1038135 0.0000000 5.1135856 0.0000000 0.4418956 0.0000000 4.6526035 12 Ti 3.5659249 0.0000000 -0.1038135 0.0000000 5.1135856 0.0000000 -0.4418956 0.0000000 4.6526035 13 O -2.4840833 0.0000000 -0.0535821 0.0000000 -2.3389140 0.0000000 -0.4155865 0.0000000 -2.4761147 14 O -3.4667805 0.0000000 0.8042180 0.0000000 -1.7885107 0.0000000 0.7539514 0.0000000 -1.3135589 15 O -1.8793435 0.0000000 0.1026600 0.0000000 -2.2498935 0.0000000 0.3668936 0.0000000 -3.6239907 16 O -1.5683694 0.0000000 -0.0959650 0.0000000 -3.9690762 0.0000000 0.0879226 0.0000000 -1.8119134 17 O -2.1543391 0.0000000 0.3443536 0.0000000 -2.3629918 0.0000000 0.4053798 0.0000000 -3.1038939 18 O -2.1543391 0.0000000 -0.3443536 0.0000000 -2.3629918 0.0000000 -0.4053798 0.0000000 -3.1038939 19 O -1.5683694 0.0000000 0.0959650 0.0000000 -3.9690762 0.0000000 -0.0879226 0.0000000 -1.8119134 20 O -1.8793435 0.0000000 -0.1026600 0.0000000 -2.2498935 0.0000000 -0.3668936 0.0000000 -3.6239907 21 O -3.4667805 0.0000000 -0.8042180 0.0000000 -1.7885107 0.0000000 -0.7539514 0.0000000 -1.3135589 22 O -2.4840833 0.0000000 0.0535821 0.0000000 -2.3389140 0.0000000 0.4155865 0.0000000 -2.4761147 23 O -2.4840833 0.0000000 0.0535821 0.0000000 -2.3389140 0.0000000 0.4155865 0.0000000 -2.4761147 24 O -3.4667805 0.0000000 -0.8042180 0.0000000 -1.7885107 0.0000000 -0.7539514 0.0000000 -1.3135589 25 O -1.8793435 0.0000000 -0.1026600 0.0000000 -2.2498935 0.0000000 -0.3668936 0.0000000 -3.6239907 26 O -1.5683694 0.0000000 0.0959650 0.0000000 -3.9690762 0.0000000 -0.0879226 0.0000000 -1.8119134 27 O -2.1543391 0.0000000 -0.3443536 0.0000000 -2.3629918 0.0000000 -0.4053798 0.0000000 -3.1038939 28 O -2.1543391 0.0000000 0.3443536 0.0000000 -2.3629918 0.0000000 0.4053798 0.0000000 -3.1038939 29 O -1.5683694 0.0000000 -0.0959650 0.0000000 -3.9690762 0.0000000 0.0879226 0.0000000 -1.8119134 30 O -1.8793435 0.0000000 0.1026600 0.0000000 -2.2498935 0.0000000 0.3668936 0.0000000 -3.6239907 31 O -3.4667805 0.0000000 0.8042180 0.0000000 -1.7885107 0.0000000 0.7539514 0.0000000 -1.3135589 32 O -2.4840833 0.0000000 -0.0535821 0.0000000 -2.3389140 0.0000000 -0.4155865 0.0000000 -2.4761147 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 5 ] 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: 0.56, Number of G-points: 279, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 2.193 ( 0.000 0.000 0.000) 0.000 2.280 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.453 ( 0.000 0.000 0.000) 0.000 2.516 ( 0.000 0.000 0.000) 0.000 2.571 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.982 ( 0.000 0.000 0.000) 0.000 3.053 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.264 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.674 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.192 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.790 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 5.179 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.300 ( 0.000 0.000 0.000) 0.000 5.746 ( 0.000 0.000 0.000) 0.000 5.975 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.589 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 7.531 ( 0.000 0.000 0.000) 0.000 7.711 ( 0.000 0.000 0.000) 0.000 8.042 ( 0.000 0.000 0.000) 0.000 8.180 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 8.343 ( 0.000 0.000 0.000) 0.000 8.706 ( 0.000 0.000 0.000) 0.000 8.753 ( 0.000 0.000 0.000) 0.000 8.893 ( 0.000 0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.179 ( 0.000 0.000 0.000) 0.000 9.285 ( 0.000 0.000 0.000) 0.000 9.509 ( 0.000 0.000 0.000) 0.000 9.544 ( 0.000 0.000 0.000) 0.000 9.945 ( 0.000 0.000 0.000) 0.000 10.132 ( 0.000 0.000 0.000) 0.000 10.226 ( 0.000 0.000 0.000) 0.000 10.368 ( 0.000 0.000 0.000) 0.000 10.850 ( 0.000 0.000 0.000) 0.000 11.079 ( 0.000 0.000 0.000) 0.000 11.556 ( 0.000 0.000 0.000) 0.000 11.609 ( 0.000 0.000 0.000) 0.000 11.730 ( 0.000 0.000 0.000) 0.000 11.816 ( 0.000 0.000 0.000) 0.000 11.884 ( 0.000 0.000 0.000) 0.000 12.101 ( 0.000 0.000 0.000) 0.000 12.164 ( 0.000 0.000 0.000) 0.000 12.301 ( 0.000 0.000 0.000) 0.000 13.110 ( 0.000 0.000 0.000) 0.000 13.236 ( 0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 0.000) 0.000 13.597 ( 0.000 0.000 0.000) 0.000 13.618 ( 0.000 0.000 0.000) 0.000 14.286 ( 0.000 0.000 0.000) 0.000 14.322 ( 0.000 0.000 0.000) 0.000 14.366 ( 0.000 0.000 0.000) 0.000 14.397 ( 0.000 0.000 0.000) 0.000 14.843 ( 0.000 0.000 0.000) 0.000 15.003 ( 0.000 0.000 0.000) 0.000 15.383 ( 0.000 0.000 0.000) 0.000 15.614 ( 0.000 0.000 0.000) 0.000 15.655 ( 0.000 0.000 0.000) 0.000 16.637 ( 0.000 0.000 0.000) 0.000 17.506 ( 0.000 0.000 0.000) 0.000 17.521 ( 0.000 0.000 0.000) 0.000 19.019 ( 0.000 0.000 0.000) 0.000 19.166 ( 0.000 0.000 0.000) 0.000 19.171 ( 0.000 0.000 0.000) 0.000 19.304 ( 0.000 0.000 0.000) 0.000 19.307 ( 0.000 0.000 0.000) 0.000 20.043 ( 0.000 0.000 0.000) 0.000 20.468 ( 0.000 0.000 0.000) 0.000 21.100 ( 0.000 0.000 0.000) 0.000 21.503 ( 0.000 0.000 0.000) 0.000 21.587 ( 0.000 0.000 0.000) 0.000 23.930 ( 0.000 0.000 0.000) 0.000 24.773 ( 0.000 0.000 0.000) 0.000 25.002 ( 0.000 0.000 0.000) 0.000 25.726 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( 27.772 0.000 0.000) 27.772 0.593 ( 29.825 0.000 0.000) 29.825 0.994 ( 50.355 0.000 0.000) 50.355 2.084 ( -16.464 0.000 0.000) 16.464 2.126 ( -18.670 0.000 0.000) 18.670 2.318 ( 9.367 0.000 0.000) 9.367 2.448 ( -3.996 0.000 0.000) 3.996 2.568 ( -1.603 0.000 0.000) 1.603 2.583 ( 6.273 0.000 0.000) 6.273 2.633 ( 3.197 0.000 0.000) 3.197 2.918 ( -12.623 0.000 0.000) 12.623 2.945 ( -3.644 0.000 0.000) 3.644 2.990 ( -7.236 0.000 0.000) 7.236 3.246 ( 5.016 0.000 0.000) 5.016 3.283 ( 7.491 0.000 0.000) 7.491 3.311 ( 2.231 0.000 0.000) 2.231 3.525 ( -7.078 0.000 0.000) 7.078 3.659 ( 13.970 0.000 0.000) 13.970 3.777 ( 4.764 0.000 0.000) 4.764 4.108 ( -11.551 0.000 0.000) 11.551 4.226 ( 2.761 0.000 0.000) 2.761 4.394 ( -11.354 0.000 0.000) 11.354 4.961 ( 2.645 0.000 0.000) 2.645 4.990 ( 3.605 0.000 0.000) 3.605 5.016 ( 5.276 0.000 0.000) 5.276 5.140 ( -4.476 0.000 0.000) 4.476 5.173 ( -2.268 0.000 0.000) 2.268 5.270 ( -2.996 0.000 0.000) 2.996 5.835 ( 8.153 0.000 0.000) 8.153 6.126 ( 4.099 0.000 0.000) 4.099 6.231 ( -3.682 0.000 0.000) 3.682 6.506 ( -7.051 0.000 0.000) 7.051 7.102 ( 10.403 0.000 0.000) 10.403 7.310 ( 1.760 0.000 0.000) 1.760 7.428 ( 4.643 0.000 0.000) 4.643 7.678 ( 12.312 0.000 0.000) 12.312 7.698 ( -0.001 0.000 0.000) 0.001 7.924 ( -13.597 0.000 0.000) 13.597 8.056 ( 1.403 0.000 0.000) 1.403 8.167 ( -1.241 0.000 0.000) 1.241 8.283 ( -3.627 0.000 0.000) 3.627 8.286 ( 3.871 0.000 0.000) 3.871 8.620 ( 15.547 0.000 0.000) 15.547 8.645 ( -9.353 0.000 0.000) 9.353 8.764 ( 5.480 0.000 0.000) 5.480 8.920 ( 2.363 0.000 0.000) 2.363 9.074 ( 1.906 0.000 0.000) 1.906 9.257 ( -2.659 0.000 0.000) 2.659 9.514 ( -2.623 0.000 0.000) 2.623 9.569 ( 4.279 0.000 0.000) 4.279 9.782 ( -12.384 0.000 0.000) 12.384 9.916 ( -17.370 0.000 0.000) 17.370 10.099 ( -1.425 0.000 0.000) 1.425 10.462 ( 2.507 0.000 0.000) 2.507 10.519 ( 11.406 0.000 0.000) 11.406 10.871 ( -6.704 0.000 0.000) 6.704 11.038 ( -4.098 0.000 0.000) 4.098 11.529 ( -15.051 0.000 0.000) 15.051 11.586 ( 2.923 0.000 0.000) 2.923 11.669 ( 5.023 0.000 0.000) 5.023 11.796 ( -2.078 0.000 0.000) 2.078 11.918 ( 0.679 0.000 0.000) 0.679 12.151 ( 1.770 0.000 0.000) 1.770 12.192 ( 1.549 0.000 0.000) 1.549 13.123 ( 1.246 0.000 0.000) 1.246 13.225 ( -1.129 0.000 0.000) 1.129 13.345 ( -0.483 0.000 0.000) 0.483 13.466 ( -2.611 0.000 0.000) 2.611 13.621 ( 1.788 0.000 0.000) 1.788 13.654 ( 2.243 0.000 0.000) 2.243 14.290 ( 0.334 0.000 0.000) 0.334 14.319 ( -0.333 0.000 0.000) 0.333 14.461 ( 8.602 0.000 0.000) 8.602 14.521 ( 9.650 0.000 0.000) 9.650 14.917 ( 8.314 0.000 0.000) 8.314 15.388 ( 0.558 0.000 0.000) 0.558 15.433 ( -1.500 0.000 0.000) 1.500 15.583 ( -3.113 0.000 0.000) 3.113 15.673 ( 2.149 0.000 0.000) 2.149 16.489 ( -16.381 0.000 0.000) 16.381 17.517 ( 0.650 0.000 0.000) 0.650 17.517 ( -0.294 0.000 0.000) 0.294 19.166 ( 0.040 0.000 0.000) 0.040 19.170 ( -0.056 0.000 0.000) 0.056 19.305 ( 0.031 0.000 0.000) 0.031 19.307 ( -0.012 0.000 0.000) 0.012 20.088 ( 4.360 0.000 0.000) 4.360 20.365 ( -0.159 0.000 0.000) 0.159 20.502 ( 3.875 0.000 0.000) 3.875 21.069 ( -3.804 0.000 0.000) 3.804 21.468 ( -9.914 0.000 0.000) 9.914 21.596 ( -10.974 0.000 0.000) 10.974 24.098 ( 15.010 0.000 0.000) 15.010 24.928 ( -7.205 0.000 0.000) 7.205 25.829 ( 9.329 0.000 0.000) 9.329 26.338 ( -3.860 0.000 0.000) 3.860 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 27.583 0.000 0.000) 27.583 1.167 ( 28.199 0.000 0.000) 28.199 1.581 ( -17.360 0.000 0.000) 17.360 1.692 ( -24.803 0.000 0.000) 24.803 2.035 ( 34.882 0.000 0.000) 34.882 2.397 ( -2.536 0.000 0.000) 2.536 2.469 ( 4.226 0.000 0.000) 4.226 2.518 ( -3.023 0.000 0.000) 3.023 2.699 ( 5.631 0.000 0.000) 5.631 2.716 ( 4.590 0.000 0.000) 4.590 2.738 ( -0.494 0.000 0.000) 0.494 2.852 ( -5.672 0.000 0.000) 5.672 2.852 ( -5.650 0.000 0.000) 5.650 3.142 ( -32.137 0.000 0.000) 32.137 3.322 ( 2.546 0.000 0.000) 2.546 3.342 ( 0.454 0.000 0.000) 0.454 3.455 ( 9.083 0.000 0.000) 9.083 3.642 ( -10.637 0.000 0.000) 10.637 3.892 ( 9.337 0.000 0.000) 9.337 4.004 ( -1.507 0.000 0.000) 1.507 4.336 ( 6.106 0.000 0.000) 6.106 4.364 ( 2.529 0.000 0.000) 2.529 5.019 ( -2.620 0.000 0.000) 2.620 5.030 ( -4.723 0.000 0.000) 4.723 5.030 ( 4.094 0.000 0.000) 4.094 5.082 ( 5.388 0.000 0.000) 5.388 5.111 ( -3.833 0.000 0.000) 3.833 5.188 ( -5.047 0.000 0.000) 5.047 6.004 ( 7.745 0.000 0.000) 7.745 6.133 ( -5.777 0.000 0.000) 5.777 6.233 ( 6.349 0.000 0.000) 6.349 6.363 ( -6.915 0.000 0.000) 6.915 7.349 ( 13.234 0.000 0.000) 13.234 7.375 ( 4.612 0.000 0.000) 4.612 7.451 ( -2.765 0.000 0.000) 2.765 7.613 ( -12.447 0.000 0.000) 12.447 7.889 ( 13.877 0.000 0.000) 13.877 7.940 ( 13.102 0.000 0.000) 13.102 8.092 ( 2.141 0.000 0.000) 2.141 8.134 ( -2.005 0.000 0.000) 2.005 8.162 ( -8.851 0.000 0.000) 8.851 8.215 ( -14.868 0.000 0.000) 14.868 8.613 ( 10.425 0.000 0.000) 10.425 8.799 ( -1.301 0.000 0.000) 1.301 8.892 ( 6.296 0.000 0.000) 6.296 8.957 ( 0.199 0.000 0.000) 0.199 9.125 ( 3.027 0.000 0.000) 3.027 9.191 ( -3.693 0.000 0.000) 3.693 9.473 ( -0.189 0.000 0.000) 0.189 9.557 ( -8.900 0.000 0.000) 8.900 9.588 ( -2.634 0.000 0.000) 2.634 9.600 ( -8.928 0.000 0.000) 8.928 10.168 ( 9.178 0.000 0.000) 9.178 10.394 ( -10.769 0.000 0.000) 10.769 10.741 ( 10.538 0.000 0.000) 10.538 10.899 ( 11.527 0.000 0.000) 11.527 10.922 ( -7.648 0.000 0.000) 7.648 11.206 ( -17.205 0.000 0.000) 17.205 11.659 ( 4.131 0.000 0.000) 4.131 11.738 ( -3.649 0.000 0.000) 3.649 11.775 ( 5.466 0.000 0.000) 5.466 11.879 ( -4.551 0.000 0.000) 4.551 12.159 ( 0.645 0.000 0.000) 0.645 12.189 ( -1.642 0.000 0.000) 1.642 13.155 ( 1.954 0.000 0.000) 1.954 13.195 ( -1.881 0.000 0.000) 1.881 13.376 ( 3.155 0.000 0.000) 3.155 13.432 ( -1.905 0.000 0.000) 1.905 13.657 ( 1.660 0.000 0.000) 1.660 13.676 ( -0.060 0.000 0.000) 0.060 14.299 ( 0.540 0.000 0.000) 0.540 14.310 ( -0.539 0.000 0.000) 0.539 14.634 ( 6.810 0.000 0.000) 6.810 14.668 ( 3.669 0.000 0.000) 3.669 15.164 ( 14.391 0.000 0.000) 14.391 15.370 ( -5.845 0.000 0.000) 5.845 15.415 ( 2.623 0.000 0.000) 2.623 15.497 ( -5.105 0.000 0.000) 5.105 15.773 ( 9.582 0.000 0.000) 9.582 16.092 ( -21.257 0.000 0.000) 21.257 17.515 ( 0.137 0.000 0.000) 0.137 17.520 ( -0.246 0.000 0.000) 0.246 19.167 ( 0.073 0.000 0.000) 0.073 19.169 ( -0.082 0.000 0.000) 0.082 19.305 ( 0.040 0.000 0.000) 0.040 19.306 ( -0.029 0.000 0.000) 0.029 20.202 ( 6.697 0.000 0.000) 6.697 20.321 ( -4.595 0.000 0.000) 4.595 20.648 ( 11.103 0.000 0.000) 11.103 20.904 ( -12.873 0.000 0.000) 12.873 21.330 ( -1.782 0.000 0.000) 1.782 21.395 ( -7.674 0.000 0.000) 7.674 24.430 ( 17.051 0.000 0.000) 17.051 24.729 ( -12.837 0.000 0.000) 12.837 26.038 ( 10.713 0.000 0.000) 10.713 26.223 ( -7.772 0.000 0.000) 7.772 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.000 30.841 0.000) 30.841 0.737 ( 0.000 36.224 0.000) 36.224 1.120 ( 0.000 54.461 0.000) 54.461 2.273 ( 0.000 7.301 0.000) 7.301 2.351 ( 0.000 7.311 0.000) 7.311 2.385 ( 0.000 -2.433 0.000) 2.433 2.539 ( 0.000 12.185 0.000) 12.185 2.609 ( 0.000 5.958 0.000) 5.958 2.617 ( 0.000 6.514 0.000) 6.514 2.631 ( 0.000 2.094 0.000) 2.094 3.077 ( 0.000 3.095 0.000) 3.095 3.080 ( 0.000 8.844 0.000) 8.844 3.104 ( 0.000 -1.118 0.000) 1.118 3.205 ( 0.000 8.202 0.000) 8.202 3.249 ( 0.000 -3.758 0.000) 3.758 3.390 ( 0.000 9.688 0.000) 9.688 3.429 ( 0.000 4.044 0.000) 4.044 3.604 ( 0.000 3.150 0.000) 3.150 3.738 ( 0.000 6.402 0.000) 6.402 4.094 ( 0.000 -7.825 0.000) 7.825 4.223 ( 0.000 3.664 0.000) 3.664 4.615 ( 0.000 -4.159 0.000) 4.159 4.800 ( 0.000 1.272 0.000) 1.272 5.167 ( 0.000 -1.220 0.000) 1.220 5.235 ( 0.000 25.128 0.000) 25.128 5.372 ( 0.000 29.607 0.000) 29.607 5.441 ( 0.000 23.228 0.000) 23.228 5.593 ( 0.000 27.025 0.000) 27.025 5.789 ( 0.000 4.589 0.000) 4.589 5.979 ( 0.000 0.433 0.000) 0.433 6.300 ( 0.000 3.759 0.000) 3.759 6.565 ( 0.000 -1.533 0.000) 1.533 6.993 ( 0.000 0.157 0.000) 0.157 7.154 ( 0.000 -0.668 0.000) 0.668 7.361 ( 0.000 5.994 0.000) 5.994 7.369 ( 0.000 -0.279 0.000) 0.279 7.600 ( 0.000 6.909 0.000) 6.909 7.745 ( 0.000 3.718 0.000) 3.718 8.100 ( 0.000 -4.885 0.000) 4.885 8.275 ( 0.000 -3.813 0.000) 3.813 8.314 ( 0.000 -2.815 0.000) 2.815 8.363 ( 0.000 7.554 0.000) 7.554 8.789 ( 0.000 4.829 0.000) 4.829 8.850 ( 0.000 -4.851 0.000) 4.851 8.858 ( 0.000 12.928 0.000) 12.928 8.994 ( 0.000 11.138 0.000) 11.138 9.133 ( 0.000 7.579 0.000) 7.579 9.195 ( 0.000 2.707 0.000) 2.707 9.251 ( 0.000 -10.824 0.000) 10.824 9.356 ( 0.000 3.276 0.000) 3.276 9.878 ( 0.000 19.785 0.000) 19.785 9.936 ( 0.000 -0.487 0.000) 0.487 10.217 ( 0.000 7.799 0.000) 7.799 10.350 ( 0.000 10.575 0.000) 10.575 10.823 ( 0.000 -1.560 0.000) 1.560 10.994 ( 0.000 -5.775 0.000) 5.775 11.429 ( 0.000 -10.060 0.000) 10.060 11.594 ( 0.000 -1.702 0.000) 1.702 11.734 ( 0.000 -1.509 0.000) 1.509 11.855 ( 0.000 3.768 0.000) 3.768 12.045 ( 0.000 13.792 0.000) 13.792 12.080 ( 0.000 -2.964 0.000) 2.964 12.194 ( 0.000 3.053 0.000) 3.053 12.276 ( 0.000 -2.812 0.000) 2.812 12.847 ( 0.000 -22.270 0.000) 22.270 12.965 ( 0.000 -17.431 0.000) 17.431 13.208 ( 0.000 -29.522 0.000) 29.522 13.288 ( 0.000 -26.406 0.000) 26.406 13.673 ( 0.000 7.430 0.000) 7.430 14.020 ( 0.000 9.621 0.000) 9.621 14.319 ( 0.000 -3.397 0.000) 3.397 14.320 ( 0.000 -4.655 0.000) 4.655 14.528 ( 0.000 12.056 0.000) 12.056 14.896 ( 0.000 5.028 0.000) 5.028 15.226 ( 0.000 19.228 0.000) 19.228 15.367 ( 0.000 -1.579 0.000) 1.579 15.597 ( 0.000 -1.646 0.000) 1.646 15.748 ( 0.000 8.976 0.000) 8.976 15.942 ( 0.000 0.123 0.000) 0.123 16.596 ( 0.000 -3.981 0.000) 3.981 17.588 ( 0.000 7.984 0.000) 7.984 17.593 ( 0.000 7.074 0.000) 7.074 18.467 ( 0.000 -32.623 0.000) 32.623 18.698 ( 0.000 -41.169 0.000) 41.169 18.901 ( 0.000 -23.503 0.000) 23.503 19.754 ( 0.000 21.873 0.000) 21.873 20.267 ( 0.000 -19.010 0.000) 19.010 20.489 ( 0.000 22.246 0.000) 22.246 21.378 ( 0.000 24.559 0.000) 24.559 21.634 ( 0.000 13.082 0.000) 13.082 21.682 ( 0.000 11.925 0.000) 11.925 22.292 ( 0.000 3.547 0.000) 3.547 23.966 ( 0.000 3.559 0.000) 3.559 24.699 ( 0.000 -7.075 0.000) 7.075 24.924 ( 0.000 -7.678 0.000) 7.678 25.613 ( 0.000 -11.102 0.000) 11.102 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 21.333 20.501 0.000) 29.587 0.909 ( 15.970 28.878 0.000) 33.000 1.466 ( 29.635 39.497 0.000) 49.379 2.171 ( -15.562 8.246 0.000) 17.612 2.217 ( -16.192 6.373 0.000) 17.401 2.360 ( 7.787 5.309 0.000) 9.425 2.469 ( -2.363 4.876 0.000) 5.418 2.590 ( -2.017 3.930 0.000) 4.417 2.666 ( 3.495 2.432 0.000) 4.258 2.699 ( 4.817 8.886 0.000) 10.108 2.912 ( -10.555 1.492 0.000) 10.660 2.996 ( -6.552 3.704 0.000) 7.526 3.091 ( -5.039 9.597 0.000) 10.840 3.291 ( 6.716 3.717 0.000) 7.676 3.316 ( 3.745 1.495 0.000) 4.033 3.336 ( 3.752 6.393 0.000) 7.412 3.554 ( -4.761 3.835 0.000) 6.114 3.662 ( 11.920 0.901 0.000) 11.954 3.824 ( 3.588 4.548 0.000) 5.793 4.007 ( -9.095 -6.952 0.000) 11.448 4.244 ( 2.795 3.429 0.000) 4.424 4.408 ( -10.615 2.192 0.000) 10.839 4.888 ( 4.645 -1.644 0.000) 4.927 5.127 ( -4.161 -0.863 0.000) 4.249 5.259 ( 2.295 24.980 0.000) 25.086 5.430 ( 4.022 29.230 0.000) 29.505 5.434 ( -1.055 24.621 0.000) 24.643 5.577 ( -1.839 27.764 0.000) 27.825 5.854 ( 6.430 2.288 0.000) 6.825 6.086 ( 7.223 -1.672 0.000) 7.414 6.261 ( -4.046 3.495 0.000) 5.346 6.485 ( -7.031 -1.435 0.000) 7.176 7.083 ( 8.469 -1.348 0.000) 8.575 7.285 ( 6.721 -9.945 0.000) 12.003 7.357 ( 0.858 5.131 0.000) 5.202 7.496 ( 9.653 -5.625 0.000) 11.172 7.729 ( 10.439 5.322 0.000) 11.717 7.742 ( 1.679 4.029 0.000) 4.365 8.084 ( -9.584 -0.049 0.000) 9.584 8.108 ( 0.836 -4.566 0.000) 4.642 8.392 ( 1.568 6.301 0.000) 6.493 8.396 ( -0.086 -2.986 0.000) 2.987 8.688 ( -6.525 7.193 0.000) 9.712 8.871 ( 2.976 0.539 0.000) 3.024 8.921 ( 4.268 11.424 0.000) 12.195 8.961 ( 1.417 13.945 0.000) 14.017 9.121 ( -0.200 5.234 0.000) 5.238 9.236 ( -1.039 -1.597 0.000) 1.906 9.268 ( 1.373 -8.823 0.000) 8.929 9.585 ( 17.363 -5.147 0.000) 18.110 9.827 ( -12.556 0.673 0.000) 12.574 9.933 ( 3.271 21.494 0.000) 21.741 10.167 ( -2.942 6.610 0.000) 7.236 10.242 ( -6.806 12.154 0.000) 13.930 10.773 ( -2.110 -2.153 0.000) 3.014 10.957 ( -2.894 -5.066 0.000) 5.834 11.416 ( -3.829 -10.198 0.000) 10.893 11.526 ( -10.448 0.863 0.000) 10.483 11.602 ( -8.195 0.549 0.000) 8.213 11.808 ( -12.188 8.103 0.000) 14.636 11.961 ( -6.892 11.415 0.000) 13.334 12.075 ( 3.543 12.126 0.000) 12.633 12.142 ( 1.873 -0.574 0.000) 1.958 12.293 ( 2.031 8.529 0.000) 8.767 12.852 ( 0.461 -22.343 0.000) 22.348 12.924 ( -3.155 -19.441 0.000) 19.696 13.266 ( 3.954 -29.819 0.000) 30.080 13.297 ( 0.819 -26.778 0.000) 26.790 13.626 ( -3.135 6.594 0.000) 7.302 13.790 ( -19.113 23.650 0.000) 30.408 14.364 ( 3.477 -3.149 0.000) 4.691 14.390 ( 3.693 0.168 0.000) 3.696 14.590 ( 6.432 9.159 0.000) 11.192 14.793 ( -17.326 29.369 0.000) 34.099 14.991 ( 10.313 6.483 0.000) 12.182 15.404 ( 0.814 2.017 0.000) 2.175 15.570 ( -2.727 -1.232 0.000) 2.992 15.679 ( -7.888 17.062 0.000) 18.797 15.756 ( 1.017 8.175 0.000) 8.238 16.456 ( -15.101 -3.218 0.000) 15.440 17.584 ( 0.194 7.018 0.000) 7.021 17.589 ( -0.318 7.035 0.000) 7.042 18.553 ( 5.357 -39.033 0.000) 39.399 18.692 ( -0.624 -40.873 0.000) 40.878 18.919 ( 1.823 -23.005 0.000) 23.077 19.327 ( -20.387 2.106 0.000) 20.495 20.478 ( 11.862 -1.936 0.000) 12.019 20.532 ( 4.347 21.752 0.000) 22.182 21.223 ( -22.327 41.456 0.000) 47.086 21.339 ( -5.479 23.608 0.000) 24.236 21.578 ( -7.698 14.189 0.000) 16.142 21.816 ( -15.686 22.525 0.000) 27.448 24.045 ( 13.590 -3.829 0.000) 14.119 24.851 ( -7.064 -7.501 0.000) 10.304 25.658 ( 33.303 -42.229 0.000) 53.781 25.703 ( 7.943 -12.338 0.000) 14.674 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 22.179 18.977 0.000) 29.189 1.327 ( 25.213 12.770 0.000) 28.262 1.742 ( -19.015 14.237 0.000) 23.754 1.819 ( -22.966 10.071 0.000) 25.077 2.173 ( 28.708 15.540 0.000) 32.644 2.449 ( -1.248 6.231 0.000) 6.355 2.489 ( 4.131 2.750 0.000) 4.963 2.541 ( -2.467 3.346 0.000) 4.157 2.714 ( -2.031 0.740 0.000) 2.161 2.796 ( 4.724 8.353 0.000) 9.596 2.810 ( 4.801 7.288 0.000) 8.727 2.836 ( -10.022 -0.278 0.000) 10.026 2.993 ( -1.917 12.031 0.000) 12.182 3.230 ( -18.858 8.379 0.000) 20.636 3.391 ( 2.878 6.426 0.000) 7.041 3.429 ( -2.620 7.645 0.000) 8.081 3.461 ( 7.988 1.251 0.000) 8.085 3.638 ( -11.422 0.026 0.000) 11.422 3.865 ( 8.468 -1.659 0.000) 8.629 3.968 ( -1.062 -1.660 0.000) 1.971 4.325 ( 3.737 1.083 0.000) 3.891 4.340 ( 1.035 0.088 0.000) 1.038 4.959 ( 2.784 -0.930 0.000) 2.935 5.027 ( -4.790 0.170 0.000) 4.793 5.319 ( 3.671 25.215 0.000) 25.481 5.391 ( -3.223 25.535 0.000) 25.737 5.487 ( 1.933 31.556 0.000) 31.615 5.529 ( -2.563 30.536 0.000) 30.644 6.004 ( 7.854 0.303 0.000) 7.859 6.149 ( -6.844 1.929 0.000) 7.111 6.218 ( 6.277 -1.311 0.000) 6.413 6.342 ( -6.696 -1.791 0.000) 6.932 7.268 ( 8.292 -5.737 0.000) 10.083 7.351 ( -0.257 -8.933 0.000) 8.937 7.409 ( 4.620 3.786 0.000) 5.973 7.527 ( -5.192 -1.575 0.000) 5.426 7.914 ( 6.136 0.229 0.000) 6.140 7.915 ( 13.959 0.974 0.000) 13.993 7.972 ( -1.735 -0.378 0.000) 1.775 8.140 ( 0.945 -1.346 0.000) 1.644 8.271 ( -11.009 2.409 0.000) 11.269 8.316 ( -6.774 1.471 0.000) 6.932 8.745 ( 12.289 12.458 0.000) 17.499 8.953 ( 3.995 -0.986 0.000) 4.115 8.964 ( -5.135 11.978 0.000) 13.033 8.987 ( 1.244 4.408 0.000) 4.580 9.146 ( 2.829 3.757 0.000) 4.703 9.203 ( -1.899 1.417 0.000) 2.370 9.312 ( 3.893 -2.289 0.000) 4.516 9.491 ( -16.059 3.466 0.000) 16.429 9.801 ( 4.143 7.807 0.000) 8.838 9.890 ( -5.823 16.749 0.000) 17.733 10.204 ( 4.192 5.150 0.000) 6.641 10.212 ( 2.567 1.256 0.000) 2.858 10.860 ( 11.846 -3.871 0.000) 12.462 10.940 ( 3.308 3.359 0.000) 4.715 11.158 ( -18.695 17.408 0.000) 25.545 11.175 ( -17.331 -4.774 0.000) 17.977 11.568 ( 2.304 -4.651 0.000) 5.190 11.635 ( -4.502 -2.188 0.000) 5.005 11.994 ( 4.354 8.855 0.000) 9.867 12.087 ( -4.207 10.493 0.000) 11.305 12.186 ( 5.145 6.681 0.000) 8.433 12.282 ( -3.469 11.090 0.000) 11.620 12.862 ( 0.612 -22.511 0.000) 22.520 12.879 ( -1.276 -22.205 0.000) 22.242 13.313 ( 0.695 -27.809 0.000) 27.818 13.315 ( 0.850 -29.021 0.000) 29.033 13.563 ( -3.219 13.875 0.000) 14.244 13.573 ( -2.305 6.719 0.000) 7.103 14.410 ( 1.134 2.607 0.000) 2.843 14.420 ( 0.121 3.956 0.000) 3.958 14.713 ( 3.967 6.184 0.000) 7.347 14.719 ( 2.212 10.721 0.000) 10.947 15.289 ( 17.117 9.410 0.000) 19.533 15.418 ( 0.997 0.970 0.000) 1.391 15.501 ( -3.342 1.361 0.000) 3.609 15.568 ( -6.430 16.253 0.000) 17.478 15.813 ( 6.259 4.426 0.000) 7.666 16.079 ( -19.980 -1.228 0.000) 20.017 17.585 ( -0.010 6.858 0.000) 6.858 17.587 ( -0.052 6.571 0.000) 6.572 18.632 ( 2.804 -40.564 0.000) 40.661 18.672 ( -1.405 -40.556 0.000) 40.580 18.973 ( 3.715 -20.627 0.000) 20.959 19.077 ( -7.542 -14.068 0.000) 15.962 20.651 ( 7.053 18.676 0.000) 19.964 20.691 ( 7.789 2.083 0.000) 8.063 20.959 ( -4.911 39.969 0.000) 40.269 21.114 ( -14.738 22.348 0.000) 26.770 21.510 ( 0.829 20.235 0.000) 20.252 21.591 ( -7.616 20.947 0.000) 22.288 24.363 ( 16.631 -6.183 0.000) 17.743 24.656 ( -12.603 -7.049 0.000) 14.441 25.867 ( 7.318 -16.210 0.000) 17.785 25.937 ( 1.876 -25.012 0.000) 25.082 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 0.000 30.166 0.000) 30.166 1.417 ( 0.000 32.020 0.000) 32.020 2.128 ( 0.000 46.619 0.000) 46.619 2.410 ( 0.000 5.255 0.000) 5.255 2.444 ( 0.000 9.494 0.000) 9.494 2.573 ( 0.000 14.635 0.000) 14.635 2.672 ( 0.000 2.580 0.000) 2.580 2.691 ( 0.000 6.938 0.000) 6.938 2.740 ( 0.000 7.419 0.000) 7.419 2.914 ( 0.000 16.131 0.000) 16.131 3.125 ( 0.000 3.050 0.000) 3.050 3.168 ( 0.000 5.756 0.000) 5.756 3.171 ( 0.000 -1.681 0.000) 1.681 3.289 ( 0.000 11.393 0.000) 11.393 3.375 ( 0.000 6.309 0.000) 6.309 3.601 ( 0.000 14.671 0.000) 14.671 3.601 ( 0.000 11.026 0.000) 11.026 3.727 ( 0.000 8.495 0.000) 8.495 3.903 ( 0.000 7.322 0.000) 7.322 3.935 ( 0.000 -6.055 0.000) 6.055 4.344 ( 0.000 8.266 0.000) 8.266 4.603 ( 0.000 2.834 0.000) 2.834 4.846 ( 0.000 3.420 0.000) 3.420 5.131 ( 0.000 -2.383 0.000) 2.383 5.770 ( 0.000 23.816 0.000) 23.816 5.831 ( 0.000 7.236 0.000) 7.236 5.860 ( 0.000 14.068 0.000) 14.068 5.985 ( 0.000 0.798 0.000) 0.798 6.121 ( 0.000 34.361 0.000) 34.361 6.229 ( 0.000 32.394 0.000) 32.394 6.455 ( 0.000 13.590 0.000) 13.590 6.612 ( 0.000 8.971 0.000) 8.971 7.005 ( 0.000 1.351 0.000) 1.351 7.147 ( 0.000 0.443 0.000) 0.443 7.358 ( 0.000 -0.376 0.000) 0.376 7.548 ( 0.000 12.745 0.000) 12.745 7.802 ( 0.000 13.295 0.000) 13.295 7.863 ( 0.000 7.927 0.000) 7.927 7.997 ( 0.000 -5.153 0.000) 5.153 8.229 ( 0.000 -6.156 0.000) 6.156 8.236 ( 0.000 1.052 0.000) 1.052 8.475 ( 0.000 3.820 0.000) 3.820 8.709 ( 0.000 -8.002 0.000) 8.002 8.986 ( 0.000 14.433 0.000) 14.433 9.006 ( 0.000 -1.379 0.000) 1.379 9.244 ( 0.000 12.727 0.000) 12.727 9.261 ( 0.000 15.451 0.000) 15.451 9.317 ( 0.000 9.708 0.000) 9.708 9.341 ( 0.000 13.118 0.000) 13.118 9.469 ( 0.000 8.491 0.000) 8.491 9.946 ( 0.000 2.025 0.000) 2.025 10.298 ( 0.000 19.798 0.000) 19.798 10.378 ( 0.000 8.152 0.000) 8.152 10.522 ( 0.000 4.754 0.000) 4.754 10.877 ( 0.000 8.196 0.000) 8.196 10.980 ( 0.000 7.083 0.000) 7.083 11.238 ( 0.000 -8.065 0.000) 8.065 11.532 ( 0.000 -4.702 0.000) 4.702 11.608 ( 0.000 -11.975 0.000) 11.975 11.934 ( 0.000 0.566 0.000) 0.566 12.005 ( 0.000 -2.185 0.000) 2.185 12.129 ( 0.000 -12.682 0.000) 12.682 12.282 ( 0.000 5.669 0.000) 5.669 12.336 ( 0.000 13.022 0.000) 13.022 12.483 ( 0.000 -6.904 0.000) 6.904 12.532 ( 0.000 -37.950 0.000) 37.950 12.676 ( 0.000 -32.476 0.000) 32.476 12.688 ( 0.000 -10.155 0.000) 10.155 13.747 ( 0.000 0.535 0.000) 0.535 14.127 ( 0.000 -1.347 0.000) 1.347 14.200 ( 0.000 -4.537 0.000) 4.537 14.209 ( 0.000 -7.334 0.000) 7.334 14.769 ( 0.000 11.455 0.000) 11.455 15.016 ( 0.000 6.325 0.000) 6.325 15.323 ( 0.000 -2.779 0.000) 2.779 15.555 ( 0.000 -2.062 0.000) 2.062 15.642 ( 0.000 20.857 0.000) 20.857 15.941 ( 0.000 -0.021 0.000) 0.021 15.977 ( 0.000 13.067 0.000) 13.067 16.484 ( 0.000 -7.213 0.000) 7.213 17.787 ( 0.000 12.073 0.000) 12.073 17.803 ( 0.000 13.124 0.000) 13.124 17.872 ( 0.000 -26.695 0.000) 26.695 17.925 ( 0.000 -35.044 0.000) 35.044 18.352 ( 0.000 -29.953 0.000) 29.953 19.781 ( 0.000 -28.522 0.000) 28.522 20.031 ( 0.000 6.458 0.000) 6.458 20.649 ( 0.000 -4.192 0.000) 4.192 21.936 ( 0.000 29.351 0.000) 29.351 21.979 ( 0.000 19.508 0.000) 19.508 22.087 ( 0.000 25.471 0.000) 25.471 22.345 ( 0.000 1.180 0.000) 1.180 24.059 ( 0.000 5.396 0.000) 5.396 24.522 ( 0.000 -9.877 0.000) 9.877 24.715 ( 0.000 -12.753 0.000) 12.753 25.308 ( 0.000 -18.940 0.000) 18.940 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 10.018 25.337 0.000) 27.245 1.505 ( 8.702 29.556 0.000) 30.810 2.279 ( 10.150 37.082 0.000) 38.446 2.338 ( -10.384 7.150 0.000) 12.608 2.374 ( -7.387 12.669 0.000) 14.665 2.548 ( 2.431 14.348 0.000) 14.553 2.585 ( -3.907 5.505 0.000) 6.750 2.717 ( 4.393 3.215 0.000) 5.444 2.755 ( -1.657 10.222 0.000) 10.355 2.909 ( 1.975 11.235 0.000) 11.407 3.003 ( -6.401 7.466 0.000) 9.834 3.065 ( -7.129 5.285 0.000) 8.874 3.279 ( 4.951 6.754 0.000) 8.375 3.422 ( 7.037 8.883 0.000) 11.332 3.425 ( 0.221 8.859 0.000) 8.861 3.495 ( 1.027 9.524 0.000) 9.579 3.675 ( -4.102 7.590 0.000) 8.627 3.735 ( 6.478 7.972 0.000) 10.272 3.870 ( -7.267 -3.394 0.000) 8.021 3.963 ( 3.736 5.426 0.000) 6.587 4.369 ( 2.421 8.653 0.000) 8.986 4.501 ( -7.410 7.495 0.000) 10.540 4.884 ( 3.293 1.181 0.000) 3.498 5.105 ( -2.685 -1.392 0.000) 3.024 5.777 ( 1.572 21.452 0.000) 21.510 5.888 ( 5.445 4.417 0.000) 7.011 5.934 ( 6.036 14.704 0.000) 15.895 6.033 ( 1.716 11.987 0.000) 12.109 6.113 ( 1.191 22.430 0.000) 22.461 6.238 ( 0.513 33.879 0.000) 33.883 6.414 ( -4.164 13.227 0.000) 13.867 6.548 ( -6.287 12.743 0.000) 14.209 7.072 ( 6.091 0.663 0.000) 6.127 7.192 ( 3.595 -0.859 0.000) 3.696 7.420 ( 5.582 -3.221 0.000) 6.445 7.530 ( -0.773 12.700 0.000) 12.724 7.864 ( 1.145 8.161 0.000) 8.241 7.885 ( 6.714 9.331 0.000) 11.496 8.000 ( 0.473 -5.504 0.000) 5.524 8.127 ( -5.879 5.363 0.000) 7.958 8.287 ( 1.497 -7.506 0.000) 7.654 8.473 ( -1.524 3.761 0.000) 4.058 8.771 ( 5.047 -6.860 0.000) 8.516 8.937 ( -2.499 12.048 0.000) 12.304 8.994 ( -1.605 2.100 0.000) 2.643 9.259 ( -2.484 7.494 0.000) 7.895 9.259 ( -0.474 7.466 0.000) 7.481 9.276 ( 1.677 13.807 0.000) 13.909 9.373 ( 3.949 17.223 0.000) 17.670 9.649 ( 14.667 9.061 0.000) 17.240 9.891 ( -6.726 5.569 0.000) 8.732 10.296 ( -4.287 9.593 0.000) 10.507 10.375 ( 1.916 16.551 0.000) 16.662 10.477 ( -2.979 8.156 0.000) 8.683 10.769 ( -7.990 3.957 0.000) 8.916 10.962 ( 0.355 7.608 0.000) 7.616 11.224 ( -2.572 -7.165 0.000) 7.613 11.480 ( -5.181 -3.520 0.000) 6.264 11.534 ( -6.159 -8.485 0.000) 10.485 11.925 ( -7.447 4.991 0.000) 8.964 11.984 ( -4.805 -9.040 0.000) 10.237 12.030 ( 2.147 -5.934 0.000) 6.311 12.382 ( 3.748 11.967 0.000) 12.540 12.389 ( 7.163 0.393 0.000) 7.173 12.422 ( -2.007 -18.140 0.000) 18.251 12.602 ( -5.816 -15.551 0.000) 16.603 12.630 ( 5.242 -27.416 0.000) 27.913 12.700 ( 0.467 -26.042 0.000) 26.046 13.691 ( -3.032 0.689 0.000) 3.110 14.053 ( -8.308 4.799 0.000) 9.595 14.253 ( 4.891 -6.770 0.000) 8.352 14.309 ( 6.477 -6.937 0.000) 9.490 14.808 ( 3.824 10.926 0.000) 11.576 15.126 ( 11.334 6.251 0.000) 12.943 15.182 ( -12.866 7.092 0.000) 14.691 15.545 ( -0.748 -0.745 0.000) 1.055 15.551 ( -5.616 14.401 0.000) 15.457 15.924 ( -0.783 8.318 0.000) 8.355 15.973 ( -0.388 12.701 0.000) 12.707 16.366 ( -12.343 -5.882 0.000) 13.673 17.759 ( -2.308 3.165 0.000) 3.918 17.770 ( -1.390 7.533 0.000) 7.660 17.914 ( 2.364 -18.664 0.000) 18.813 17.935 ( 0.786 -30.258 0.000) 30.268 18.387 ( 3.520 -29.032 0.000) 29.244 19.196 ( -31.881 -14.992 0.000) 35.230 20.398 ( 15.907 -6.321 0.000) 17.117 20.664 ( 1.355 -5.511 0.000) 5.675 21.822 ( -11.019 24.513 0.000) 26.876 21.888 ( -6.247 29.488 0.000) 30.142 22.036 ( -2.570 27.226 0.000) 27.347 22.248 ( -8.214 15.455 0.000) 17.502 24.007 ( 5.494 0.707 0.000) 5.540 24.649 ( -6.412 -12.229 0.000) 13.808 25.010 ( 28.725 -24.548 0.000) 37.785 25.371 ( 5.290 -20.190 0.000) 20.872 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 18.735 15.379 0.000) 24.239 1.742 ( 14.549 23.724 0.000) 27.830 2.009 ( -19.979 8.999 0.000) 21.912 2.063 ( -16.353 17.191 0.000) 23.726 2.547 ( 6.131 12.918 0.000) 14.299 2.581 ( 0.902 6.603 0.000) 6.664 2.661 ( 10.141 19.933 0.000) 22.364 2.717 ( -0.719 11.813 0.000) 11.835 2.764 ( -1.597 4.470 0.000) 4.747 2.895 ( -9.678 8.060 0.000) 12.595 2.992 ( 4.622 10.498 0.000) 11.471 3.000 ( 6.027 11.929 0.000) 13.365 3.271 ( 0.065 14.786 0.000) 14.786 3.438 ( -8.574 11.436 0.000) 14.294 3.490 ( 6.432 3.143 0.000) 7.159 3.572 ( 3.540 9.157 0.000) 9.817 3.597 ( -2.928 8.174 0.000) 8.682 3.667 ( -9.786 3.707 0.000) 10.464 3.867 ( 6.763 2.972 0.000) 7.387 3.974 ( -3.151 2.178 0.000) 3.831 4.416 ( 1.458 7.714 0.000) 7.850 4.422 ( -0.420 8.238 0.000) 8.249 4.958 ( 3.934 0.587 0.000) 3.977 5.035 ( -3.943 0.488 0.000) 3.973 5.839 ( 4.503 19.695 0.000) 20.203 5.934 ( -3.793 13.441 0.000) 13.966 6.057 ( 5.511 12.545 0.000) 13.702 6.074 ( 5.431 13.429 0.000) 14.485 6.176 ( 2.572 14.475 0.000) 14.701 6.262 ( 3.765 28.272 0.000) 28.522 6.295 ( -7.664 16.200 0.000) 17.922 6.391 ( -8.386 17.765 0.000) 19.645 7.196 ( 5.138 -0.945 0.000) 5.225 7.242 ( 0.557 -1.577 0.000) 1.673 7.519 ( 3.004 -0.918 0.000) 3.141 7.532 ( 0.648 8.454 0.000) 8.478 7.922 ( 2.822 3.161 0.000) 4.237 7.951 ( -0.672 2.730 0.000) 2.811 8.072 ( 6.031 -5.157 0.000) 7.936 8.074 ( 2.624 7.022 0.000) 7.496 8.277 ( -1.976 -2.184 0.000) 2.946 8.350 ( -9.680 8.355 0.000) 12.787 8.867 ( 4.116 -5.456 0.000) 6.834 8.925 ( -1.530 -2.703 0.000) 3.106 9.015 ( 6.476 9.350 0.000) 11.374 9.160 ( -6.352 6.264 0.000) 8.921 9.304 ( 3.095 10.940 0.000) 11.370 9.320 ( 1.879 11.635 0.000) 11.785 9.474 ( 6.321 15.082 0.000) 16.353 9.672 ( -13.378 12.832 0.000) 18.538 9.946 ( 13.573 10.295 0.000) 17.036 10.159 ( -8.627 12.139 0.000) 14.892 10.382 ( -0.810 10.190 0.000) 10.222 10.414 ( -4.020 13.372 0.000) 13.963 10.751 ( 9.259 -6.176 0.000) 11.130 11.008 ( -7.967 -4.450 0.000) 9.126 11.120 ( 4.189 8.457 0.000) 9.437 11.330 ( -10.293 2.538 0.000) 10.602 11.486 ( 3.041 -4.595 0.000) 5.510 11.650 ( -13.278 2.705 0.000) 13.551 12.015 ( 2.859 -6.288 0.000) 6.908 12.054 ( -0.464 -8.090 0.000) 8.104 12.410 ( 0.500 -17.272 0.000) 17.279 12.431 ( -0.375 -2.791 0.000) 2.816 12.495 ( 2.876 -0.084 0.000) 2.878 12.515 ( -1.168 -4.764 0.000) 4.906 12.704 ( 1.923 -24.909 0.000) 24.983 12.711 ( 0.565 -25.619 0.000) 25.625 13.684 ( 3.002 4.787 0.000) 5.650 13.831 ( -11.526 10.578 0.000) 15.644 14.349 ( 3.861 -6.697 0.000) 7.730 14.382 ( 0.794 -6.208 0.000) 6.259 14.895 ( 4.220 9.780 0.000) 10.651 14.980 ( -5.941 11.588 0.000) 13.022 15.397 ( 9.723 2.346 0.000) 10.002 15.473 ( -2.682 5.761 0.000) 6.355 15.592 ( 10.984 5.873 0.000) 12.456 15.891 ( -6.476 14.283 0.000) 15.683 15.966 ( -0.074 10.808 0.000) 10.808 16.046 ( -14.903 -1.896 0.000) 15.023 17.735 ( -0.177 0.571 0.000) 0.597 17.745 ( -1.015 2.428 0.000) 2.632 17.945 ( 0.740 -19.868 0.000) 19.882 17.948 ( 0.323 -24.134 0.000) 24.136 18.496 ( 7.925 -26.200 0.000) 27.372 18.725 ( -16.444 -20.764 0.000) 26.487 20.617 ( 6.944 -8.525 0.000) 10.995 20.683 ( -0.322 -8.484 0.000) 8.490 21.671 ( -2.964 31.283 0.000) 31.423 21.724 ( -7.597 32.223 0.000) 33.107 22.032 ( 1.728 27.684 0.000) 27.738 22.102 ( -5.601 24.987 0.000) 25.607 24.224 ( 13.522 -6.789 0.000) 15.131 24.474 ( -11.162 -10.501 0.000) 15.325 25.392 ( 10.112 -27.392 0.000) 29.199 25.458 ( 2.001 -23.482 0.000) 23.567 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.000 28.101 0.000) 28.101 1.994 ( 0.000 26.065 0.000) 26.065 2.585 ( 0.000 11.868 0.000) 11.868 2.637 ( 0.000 9.730 0.000) 9.730 2.752 ( 0.000 5.703 0.000) 5.703 2.834 ( 0.000 18.701 0.000) 18.701 2.841 ( 0.000 7.307 0.000) 7.307 2.895 ( 0.000 7.757 0.000) 7.757 3.008 ( 0.000 32.128 0.000) 32.128 3.018 ( 0.000 -1.323 0.000) 1.323 3.225 ( 0.000 8.852 0.000) 8.852 3.302 ( 0.000 7.819 0.000) 7.819 3.331 ( 0.000 12.848 0.000) 12.848 3.460 ( 0.000 3.105 0.000) 3.105 3.494 ( 0.000 8.011 0.000) 8.011 3.784 ( 0.000 -6.148 0.000) 6.148 3.811 ( 0.000 9.866 0.000) 9.866 3.922 ( 0.000 11.057 0.000) 11.057 3.951 ( 0.000 18.699 0.000) 18.699 4.052 ( 0.000 4.618 0.000) 4.618 4.532 ( 0.000 10.267 0.000) 10.267 4.743 ( 0.000 11.260 0.000) 11.260 4.933 ( 0.000 5.147 0.000) 5.147 5.076 ( 0.000 -3.065 0.000) 3.065 5.912 ( 0.000 -4.564 0.000) 4.564 5.922 ( 0.000 2.826 0.000) 2.826 6.001 ( 0.000 1.028 0.000) 1.028 6.074 ( 0.000 8.518 0.000) 8.518 6.729 ( 0.000 15.154 0.000) 15.154 6.794 ( 0.000 28.299 0.000) 28.299 6.813 ( 0.000 17.610 0.000) 17.610 6.864 ( 0.000 12.465 0.000) 12.465 7.072 ( 0.000 7.011 0.000) 7.011 7.205 ( 0.000 5.775 0.000) 5.775 7.390 ( 0.000 5.135 0.000) 5.135 7.728 ( 0.000 -1.508 0.000) 1.508 8.026 ( 0.000 13.103 0.000) 13.103 8.036 ( 0.000 8.939 0.000) 8.939 8.053 ( 0.000 -10.722 0.000) 10.722 8.114 ( 0.000 17.898 0.000) 17.898 8.347 ( 0.000 10.345 0.000) 10.345 8.572 ( 0.000 8.104 0.000) 8.104 8.614 ( 0.000 -0.092 0.000) 0.092 9.005 ( 0.000 2.184 0.000) 2.184 9.289 ( 0.000 14.303 0.000) 14.303 9.540 ( 0.000 15.091 0.000) 15.091 9.543 ( 0.000 10.979 0.000) 10.979 9.620 ( 0.000 19.790 0.000) 19.790 9.638 ( 0.000 16.408 0.000) 16.408 9.697 ( 0.000 15.982 0.000) 15.982 10.029 ( 0.000 6.378 0.000) 6.378 10.437 ( 0.000 4.881 0.000) 4.881 10.633 ( 0.000 9.867 0.000) 9.867 10.747 ( 0.000 21.322 0.000) 21.322 11.024 ( 0.000 2.607 0.000) 2.607 11.075 ( 0.000 -12.051 0.000) 12.051 11.204 ( 0.000 7.406 0.000) 7.406 11.380 ( 0.000 -5.012 0.000) 5.012 11.398 ( 0.000 -9.532 0.000) 9.532 11.652 ( 0.000 -17.637 0.000) 17.637 11.736 ( 0.000 -41.034 0.000) 41.034 11.995 ( 0.000 -26.075 0.000) 26.075 12.042 ( 0.000 5.846 0.000) 5.846 12.113 ( 0.000 5.345 0.000) 5.345 12.408 ( 0.000 6.579 0.000) 6.579 12.528 ( 0.000 -6.713 0.000) 6.713 12.570 ( 0.000 12.474 0.000) 12.474 12.622 ( 0.000 10.314 0.000) 10.314 13.724 ( 0.000 -2.132 0.000) 2.132 13.932 ( 0.000 -13.890 0.000) 13.890 14.037 ( 0.000 -9.788 0.000) 9.788 14.185 ( 0.000 -1.150 0.000) 1.150 14.956 ( 0.000 6.569 0.000) 6.569 15.115 ( 0.000 2.817 0.000) 2.817 15.255 ( 0.000 -4.155 0.000) 4.155 15.557 ( 0.000 3.814 0.000) 3.814 15.957 ( 0.000 2.174 0.000) 2.174 16.008 ( 0.000 15.420 0.000) 15.420 16.224 ( 0.000 10.883 0.000) 10.883 16.312 ( 0.000 -10.232 0.000) 10.232 17.357 ( 0.000 -21.291 0.000) 21.291 17.433 ( 0.000 -16.971 0.000) 16.971 17.751 ( 0.000 -28.538 0.000) 28.538 18.064 ( 0.000 14.138 0.000) 14.138 18.082 ( 0.000 14.387 0.000) 14.387 19.188 ( 0.000 -30.155 0.000) 30.155 20.051 ( 0.000 -3.448 0.000) 3.448 20.443 ( 0.000 -14.542 0.000) 14.542 22.310 ( 0.000 12.025 0.000) 12.025 22.331 ( 0.000 -2.385 0.000) 2.385 22.468 ( 0.000 22.904 0.000) 22.904 22.539 ( 0.000 17.785 0.000) 17.785 24.162 ( 0.000 4.544 0.000) 4.544 24.350 ( 0.000 -6.593 0.000) 6.593 24.449 ( 0.000 -13.177 0.000) 13.177 24.898 ( 0.000 -21.490 0.000) 21.490 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 2.721 25.166 0.000) 25.313 2.046 ( 5.204 24.699 0.000) 25.241 2.506 ( -12.783 8.614 0.000) 15.415 2.574 ( -6.654 10.506 0.000) 12.436 2.706 ( -1.305 7.422 0.000) 7.535 2.788 ( 3.073 6.095 0.000) 6.826 2.798 ( -2.185 16.006 0.000) 16.154 2.923 ( -0.877 7.139 0.000) 7.192 3.052 ( 2.685 24.172 0.000) 24.320 3.070 ( 4.456 6.825 0.000) 8.151 3.219 ( 2.441 18.509 0.000) 18.670 3.262 ( -5.470 10.818 0.000) 12.122 3.392 ( 7.219 6.050 0.000) 9.419 3.517 ( 3.582 1.909 0.000) 4.059 3.618 ( 7.527 9.780 0.000) 12.342 3.727 ( -4.847 11.606 0.000) 12.577 3.763 ( -1.477 -1.999 0.000) 2.485 3.883 ( -3.846 8.356 0.000) 9.198 3.987 ( 2.037 15.881 0.000) 16.011 4.058 ( 0.019 3.065 0.000) 3.065 4.560 ( 2.277 9.992 0.000) 10.248 4.707 ( -3.414 12.858 0.000) 13.304 4.942 ( 1.395 4.825 0.000) 5.023 5.072 ( -0.607 -1.871 0.000) 1.967 5.917 ( 0.778 -4.046 0.000) 4.121 5.943 ( 1.788 1.380 0.000) 2.258 6.047 ( 3.861 0.115 0.000) 3.863 6.094 ( 1.718 5.646 0.000) 5.902 6.694 ( -3.821 20.664 0.000) 21.014 6.730 ( -5.079 14.830 0.000) 15.676 6.842 ( 5.375 24.496 0.000) 25.079 6.933 ( 3.561 18.433 0.000) 18.774 7.134 ( 5.501 7.286 0.000) 9.129 7.231 ( 2.508 5.719 0.000) 6.245 7.392 ( 0.691 1.841 0.000) 1.966 7.785 ( 4.951 0.871 0.000) 5.027 7.910 ( -8.543 9.224 0.000) 12.572 8.024 ( 0.600 1.299 0.000) 1.431 8.122 ( -1.462 12.173 0.000) 12.261 8.137 ( 4.030 -0.575 0.000) 4.071 8.315 ( -0.382 13.386 0.000) 13.391 8.632 ( 5.140 13.774 0.000) 14.702 8.676 ( 5.169 -1.383 0.000) 5.351 8.955 ( -4.069 1.505 0.000) 4.339 9.318 ( -5.171 18.703 0.000) 19.405 9.436 ( 2.593 9.518 0.000) 9.865 9.470 ( -5.036 14.875 0.000) 15.704 9.588 ( -2.313 15.918 0.000) 16.085 9.723 ( 3.446 16.307 0.000) 16.668 9.880 ( 15.136 12.652 0.000) 19.727 10.044 ( -0.227 9.730 0.000) 9.733 10.419 ( -1.202 6.636 0.000) 6.744 10.612 ( -0.628 9.958 0.000) 9.978 10.704 ( -5.130 15.716 0.000) 16.532 10.877 ( -12.638 3.389 0.000) 13.084 11.061 ( -0.215 -4.395 0.000) 4.400 11.252 ( 1.601 6.806 0.000) 6.992 11.312 ( -3.984 -9.554 0.000) 10.351 11.357 ( -4.146 -10.484 0.000) 11.274 11.639 ( -0.422 -26.789 0.000) 26.792 11.787 ( 3.472 -26.707 0.000) 26.931 11.979 ( -1.672 -25.900 0.000) 25.954 11.994 ( -3.964 3.032 0.000) 4.991 12.047 ( -6.074 5.061 0.000) 7.906 12.466 ( 3.135 7.903 0.000) 8.502 12.480 ( -3.295 -4.962 0.000) 5.956 12.546 ( 0.024 6.514 0.000) 6.514 12.679 ( 3.644 9.201 0.000) 9.897 13.684 ( -0.650 -0.858 0.000) 1.076 13.966 ( 1.933 -11.836 0.000) 11.993 14.138 ( 6.544 -9.956 0.000) 11.914 14.181 ( -0.192 -1.334 0.000) 1.348 14.979 ( 2.129 5.313 0.000) 5.723 15.203 ( -4.860 -2.205 0.000) 5.336 15.221 ( 10.473 3.086 0.000) 10.919 15.576 ( 2.246 5.061 0.000) 5.537 15.832 ( -8.505 11.132 0.000) 14.009 16.080 ( 3.562 8.540 0.000) 9.253 16.214 ( -0.960 10.617 0.000) 10.660 16.222 ( -8.974 -8.559 0.000) 12.402 17.353 ( -0.235 -20.777 0.000) 20.779 17.416 ( -1.636 -16.777 0.000) 16.857 17.800 ( 4.985 -27.443 0.000) 27.892 18.070 ( 0.618 13.703 0.000) 13.716 18.081 ( -0.170 13.911 0.000) 13.912 18.803 ( -28.849 -22.514 0.000) 36.595 20.234 ( 11.380 -9.964 0.000) 15.126 20.446 ( 0.184 -14.689 0.000) 14.690 22.206 ( -4.350 12.453 0.000) 13.191 22.413 ( -6.174 21.590 0.000) 22.456 22.421 ( 3.403 4.143 0.000) 5.361 22.509 ( -1.550 18.846 0.000) 18.909 24.063 ( -1.323 4.177 0.000) 4.382 24.399 ( -4.775 -12.141 0.000) 13.046 24.630 ( 17.581 -14.408 0.000) 22.730 24.944 ( 3.668 -21.870 0.000) 22.176 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 9.524 17.451 0.000) 19.881 2.186 ( -3.782 15.933 0.000) 16.376 2.197 ( -2.874 14.636 0.000) 14.916 2.393 ( -10.575 15.570 0.000) 18.822 2.748 ( 2.722 10.281 0.000) 10.636 2.778 ( -0.515 12.494 0.000) 12.505 2.852 ( 2.854 5.743 0.000) 6.413 2.894 ( -1.726 7.110 0.000) 7.317 3.070 ( 0.977 15.496 0.000) 15.527 3.127 ( -3.401 11.950 0.000) 12.424 3.202 ( 4.669 10.503 0.000) 11.494 3.293 ( -0.339 16.615 0.000) 16.618 3.528 ( 1.609 6.757 0.000) 6.946 3.564 ( 10.118 8.339 0.000) 13.111 3.621 ( -5.207 5.455 0.000) 7.541 3.742 ( 4.515 8.640 0.000) 9.748 3.761 ( -8.510 9.391 0.000) 12.674 3.789 ( 1.007 8.577 0.000) 8.636 4.017 ( 1.139 11.217 0.000) 11.275 4.041 ( -1.415 3.579 0.000) 3.848 4.601 ( 1.705 10.131 0.000) 10.274 4.639 ( -2.721 12.659 0.000) 12.948 4.990 ( 3.089 3.180 0.000) 4.434 5.045 ( -2.165 0.727 0.000) 2.284 5.945 ( 1.816 -3.795 0.000) 4.207 5.967 ( 0.073 -2.255 0.000) 2.256 6.115 ( 2.289 -0.343 0.000) 2.314 6.126 ( 1.002 1.470 0.000) 1.779 6.626 ( -1.800 19.041 0.000) 19.125 6.643 ( -3.214 15.940 0.000) 16.261 6.949 ( 3.859 31.627 0.000) 31.862 6.977 ( 0.711 27.390 0.000) 27.400 7.244 ( 4.510 6.883 0.000) 8.229 7.281 ( 1.101 5.736 0.000) 5.840 7.461 ( 7.706 -3.998 0.000) 8.681 7.678 ( -12.334 4.378 0.000) 13.088 7.934 ( 7.100 -7.207 0.000) 10.116 8.029 ( -1.353 -5.312 0.000) 5.481 8.089 ( -0.734 12.299 0.000) 12.321 8.117 ( -3.660 11.028 0.000) 11.619 8.440 ( 11.214 16.912 0.000) 20.293 8.650 ( -6.629 21.087 0.000) 22.105 8.784 ( 5.192 -1.964 0.000) 5.551 8.870 ( -3.957 -1.218 0.000) 4.140 9.234 ( 2.068 12.914 0.000) 13.078 9.351 ( -7.109 14.690 0.000) 16.320 9.559 ( 4.014 13.517 0.000) 14.100 9.567 ( 0.506 12.181 0.000) 12.191 9.783 ( 5.326 14.146 0.000) 15.116 9.952 ( -8.890 14.698 0.000) 17.178 10.210 ( 16.188 13.604 0.000) 21.146 10.410 ( -1.258 12.906 0.000) 12.968 10.558 ( -6.725 7.972 0.000) 10.430 10.626 ( -10.613 5.031 0.000) 11.745 10.697 ( 10.324 5.920 0.000) 11.900 10.967 ( -13.227 3.106 0.000) 13.587 11.182 ( 1.325 -9.038 0.000) 9.135 11.258 ( -5.125 -10.367 0.000) 11.564 11.425 ( 9.428 -4.090 0.000) 10.277 11.595 ( -5.802 -19.608 0.000) 20.449 11.851 ( 3.109 -13.647 0.000) 13.997 11.916 ( -3.576 -5.756 0.000) 6.777 11.935 ( -3.117 -5.590 0.000) 6.400 11.938 ( -2.093 -20.265 0.000) 20.373 12.433 ( -0.999 -1.440 0.000) 1.752 12.446 ( -2.051 4.054 0.000) 4.543 12.638 ( 5.783 2.833 0.000) 6.440 12.711 ( -1.066 5.605 0.000) 5.705 13.758 ( 7.696 2.032 0.000) 7.960 13.924 ( -6.898 -2.037 0.000) 7.193 14.202 ( 2.100 -6.645 0.000) 6.969 14.219 ( 1.310 -9.525 0.000) 9.615 15.029 ( 2.845 2.998 0.000) 4.133 15.100 ( -4.647 1.194 0.000) 4.799 15.473 ( 12.263 5.136 0.000) 13.295 15.661 ( -8.476 11.733 0.000) 14.474 15.682 ( 10.232 4.497 0.000) 11.177 15.967 ( -15.643 -3.962 0.000) 16.137 16.143 ( 2.562 9.064 0.000) 9.419 16.187 ( -1.836 9.882 0.000) 10.051 17.355 ( 0.606 -19.171 0.000) 19.180 17.379 ( -1.743 -17.330 0.000) 17.417 17.949 ( 9.931 -21.866 0.000) 24.015 18.070 ( -1.382 11.163 0.000) 11.248 18.091 ( 2.076 10.104 0.000) 10.315 18.296 ( -20.268 -19.678 0.000) 28.250 20.392 ( 4.768 -13.437 0.000) 14.258 20.442 ( -0.887 -14.672 0.000) 14.699 22.175 ( 1.552 18.473 0.000) 18.538 22.266 ( -7.163 21.042 0.000) 22.228 22.464 ( 1.365 11.154 0.000) 11.237 22.486 ( -1.050 16.842 0.000) 16.875 24.131 ( 6.689 -2.200 0.000) 7.041 24.276 ( -7.301 -8.554 0.000) 11.246 24.905 ( 9.244 -21.229 0.000) 23.154 24.991 ( -0.083 -22.514 0.000) 22.514 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 0.000 24.228 0.000) 24.228 2.448 ( 0.000 19.802 0.000) 19.802 2.820 ( 0.000 8.584 0.000) 8.584 2.847 ( 0.000 13.487 0.000) 13.487 2.890 ( 0.000 7.723 0.000) 7.723 2.894 ( 0.000 -2.182 0.000) 2.182 3.022 ( 0.000 4.280 0.000) 4.280 3.070 ( 0.000 6.975 0.000) 6.975 3.122 ( 0.000 10.984 0.000) 10.984 3.294 ( 0.000 7.245 0.000) 7.245 3.471 ( 0.000 8.463 0.000) 8.463 3.510 ( 0.000 2.511 0.000) 2.511 3.527 ( 0.000 6.850 0.000) 6.850 3.542 ( 0.000 -2.340 0.000) 2.340 3.728 ( 0.000 29.681 0.000) 29.681 3.732 ( 0.000 0.010 0.000) 0.010 3.977 ( 0.000 6.747 0.000) 6.747 4.117 ( 0.000 3.233 0.000) 3.233 4.150 ( 0.000 11.246 0.000) 11.246 4.298 ( 0.000 15.754 0.000) 15.754 4.736 ( 0.000 9.998 0.000) 9.998 5.004 ( 0.000 13.417 0.000) 13.417 5.017 ( 0.000 -2.578 0.000) 2.578 5.041 ( 0.000 5.577 0.000) 5.577 5.806 ( 0.000 -4.041 0.000) 4.041 5.952 ( 0.000 0.504 0.000) 0.504 6.034 ( 0.000 2.387 0.000) 2.387 6.187 ( 0.000 3.845 0.000) 3.845 6.882 ( 0.000 3.855 0.000) 3.855 7.029 ( 0.000 6.826 0.000) 6.826 7.064 ( 0.000 8.479 0.000) 8.479 7.134 ( 0.000 7.924 0.000) 7.924 7.261 ( 0.000 -3.259 0.000) 3.259 7.312 ( 0.000 14.253 0.000) 14.253 7.595 ( 0.000 13.243 0.000) 13.243 7.623 ( 0.000 -5.408 0.000) 5.408 7.924 ( 0.000 0.469 0.000) 0.469 8.212 ( 0.000 9.027 0.000) 9.027 8.257 ( 0.000 5.966 0.000) 5.966 8.491 ( 0.000 19.498 0.000) 19.498 8.621 ( 0.000 16.262 0.000) 16.262 8.705 ( 0.000 8.429 0.000) 8.429 8.882 ( 0.000 22.834 0.000) 22.834 9.057 ( 0.000 1.925 0.000) 1.925 9.508 ( 0.000 7.572 0.000) 7.572 9.687 ( 0.000 3.653 0.000) 3.653 9.785 ( 0.000 8.865 0.000) 8.865 9.890 ( 0.000 9.561 0.000) 9.561 9.972 ( 0.000 16.797 0.000) 16.797 10.170 ( 0.000 6.748 0.000) 6.748 10.224 ( 0.000 30.818 0.000) 30.818 10.550 ( 0.000 -3.193 0.000) 3.193 10.762 ( 0.000 -16.700 0.000) 16.700 10.875 ( 0.000 -2.780 0.000) 2.780 10.878 ( 0.000 -36.871 0.000) 36.871 10.982 ( 0.000 -14.426 0.000) 14.426 10.985 ( 0.000 9.222 0.000) 9.222 11.196 ( 0.000 23.911 0.000) 23.911 11.234 ( 0.000 -12.281 0.000) 12.281 11.417 ( 0.000 4.581 0.000) 4.581 11.456 ( 0.000 -0.618 0.000) 0.618 11.885 ( 0.000 8.843 0.000) 8.843 12.199 ( 0.000 5.788 0.000) 5.788 12.264 ( 0.000 10.047 0.000) 10.047 12.463 ( 0.000 4.575 0.000) 4.575 12.525 ( 0.000 4.754 0.000) 4.754 12.765 ( 0.000 3.716 0.000) 3.716 12.885 ( 0.000 17.359 0.000) 17.359 13.612 ( 0.000 -18.122 0.000) 18.122 13.679 ( 0.000 -2.251 0.000) 2.251 13.833 ( 0.000 -10.479 0.000) 10.479 14.130 ( 0.000 -4.315 0.000) 4.315 15.010 ( 0.000 -0.640 0.000) 0.640 15.105 ( 0.000 -3.853 0.000) 3.853 15.161 ( 0.000 -5.084 0.000) 5.084 15.743 ( 0.000 14.432 0.000) 14.432 16.046 ( 0.000 7.008 0.000) 7.008 16.069 ( 0.000 -13.335 0.000) 13.335 16.251 ( 0.000 8.551 0.000) 8.551 16.382 ( 0.000 5.130 0.000) 5.130 17.104 ( 0.000 -4.797 0.000) 4.797 17.216 ( 0.000 -5.154 0.000) 5.154 17.233 ( 0.000 -22.563 0.000) 22.563 18.307 ( 0.000 2.062 0.000) 2.062 18.359 ( 0.000 15.189 0.000) 15.189 18.669 ( 0.000 -15.683 0.000) 15.683 19.925 ( 0.000 -8.700 0.000) 8.700 20.122 ( 0.000 -17.156 0.000) 17.156 22.263 ( 0.000 -4.194 0.000) 4.194 22.424 ( 0.000 -0.156 0.000) 0.156 22.746 ( 0.000 3.096 0.000) 3.096 22.799 ( 0.000 9.647 0.000) 9.647 24.228 ( 0.000 -8.651 0.000) 8.651 24.228 ( 0.000 2.069 0.000) 2.069 24.274 ( 0.000 -1.363 0.000) 1.363 24.499 ( 0.000 -17.699 0.000) 17.699 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -1.874 22.520 0.000) 22.598 2.477 ( 2.837 18.681 0.000) 18.895 2.630 ( -14.366 4.046 0.000) 14.925 2.774 ( -4.111 9.612 0.000) 10.455 2.904 ( 2.899 11.909 0.000) 12.256 2.915 ( 2.062 6.908 0.000) 7.210 3.057 ( -1.318 6.142 0.000) 6.281 3.092 ( -2.452 12.714 0.000) 12.948 3.192 ( 8.700 4.440 0.000) 9.767 3.292 ( -0.040 7.363 0.000) 7.363 3.414 ( -4.487 5.107 0.000) 6.798 3.506 ( 2.726 4.112 0.000) 4.934 3.554 ( 3.501 4.361 0.000) 5.592 3.708 ( 2.680 -2.510 0.000) 3.672 3.759 ( 2.098 26.560 0.000) 26.642 3.766 ( 9.568 3.796 0.000) 10.293 3.919 ( -3.241 7.389 0.000) 8.069 4.053 ( -5.254 5.704 0.000) 7.755 4.134 ( -2.357 7.734 0.000) 8.086 4.302 ( -0.739 14.888 0.000) 14.906 4.746 ( 1.294 8.503 0.000) 8.601 4.968 ( -3.014 11.955 0.000) 12.330 5.042 ( 2.194 -0.471 0.000) 2.244 5.072 ( 2.049 8.104 0.000) 8.359 5.814 ( 0.944 -4.109 0.000) 4.216 5.941 ( -1.090 -0.869 0.000) 1.394 6.073 ( 3.133 2.056 0.000) 3.748 6.172 ( -1.272 2.667 0.000) 2.955 6.941 ( 0.245 7.315 0.000) 7.320 6.950 ( -5.163 8.589 0.000) 10.022 7.034 ( 1.982 -0.210 0.000) 1.993 7.140 ( 5.893 6.332 0.000) 8.650 7.383 ( 5.683 13.227 0.000) 14.397 7.413 ( 8.657 5.041 0.000) 10.017 7.546 ( -3.800 13.338 0.000) 13.869 7.675 ( 4.617 -5.127 0.000) 6.900 7.899 ( -1.988 -4.222 0.000) 4.666 8.124 ( -12.518 6.669 0.000) 14.184 8.334 ( 9.037 12.892 0.000) 15.744 8.456 ( -2.297 20.754 0.000) 20.880 8.627 ( 2.076 16.800 0.000) 16.928 8.737 ( 3.334 7.600 0.000) 8.299 8.969 ( 0.862 11.140 0.000) 11.173 9.034 ( 3.697 12.470 0.000) 13.006 9.603 ( 2.241 7.307 0.000) 7.643 9.660 ( -2.332 13.799 0.000) 13.995 9.753 ( 2.016 11.170 0.000) 11.350 9.863 ( -1.000 9.285 0.000) 9.339 9.978 ( -2.086 10.984 0.000) 11.180 10.102 ( 0.526 8.326 0.000) 8.342 10.308 ( 2.348 17.515 0.000) 17.672 10.562 ( 1.542 -4.673 0.000) 4.921 10.754 ( -1.326 -11.196 0.000) 11.275 10.817 ( -4.567 -20.058 0.000) 20.572 10.890 ( -0.078 0.319 0.000) 0.328 10.980 ( -0.715 -3.172 0.000) 3.252 10.985 ( 0.385 -15.312 0.000) 15.317 11.104 ( -7.000 -11.631 0.000) 13.575 11.120 ( -7.103 15.508 0.000) 17.058 11.342 ( -7.333 7.002 0.000) 10.139 11.569 ( 7.672 -1.952 0.000) 7.916 11.888 ( 0.509 9.667 0.000) 9.681 12.130 ( -7.150 8.526 0.000) 11.127 12.204 ( -5.400 10.136 0.000) 11.485 12.423 ( -1.037 1.094 0.000) 1.507 12.584 ( 5.146 4.278 0.000) 6.692 12.779 ( -9.068 13.807 0.000) 16.519 12.803 ( 1.408 3.417 0.000) 3.695 13.662 ( 1.370 -1.674 0.000) 2.163 13.683 ( 5.577 -15.495 0.000) 16.468 13.933 ( 6.664 -10.065 0.000) 12.071 14.131 ( -0.176 -3.936 0.000) 3.940 15.014 ( 0.544 -1.022 0.000) 1.158 15.134 ( -2.502 -4.204 0.000) 4.892 15.219 ( 10.738 -3.847 0.000) 11.406 15.775 ( 3.224 14.596 0.000) 14.948 15.979 ( -7.188 -4.891 0.000) 8.694 16.041 ( -2.549 1.348 0.000) 2.884 16.259 ( 0.928 7.830 0.000) 7.885 16.367 ( -1.468 4.922 0.000) 5.136 17.107 ( 0.596 -4.829 0.000) 4.866 17.204 ( -1.135 -4.818 0.000) 4.949 17.297 ( 6.289 -21.819 0.000) 22.707 18.209 ( -13.197 -12.599 0.000) 18.246 18.364 ( 0.470 15.205 0.000) 15.212 18.497 ( -9.984 3.842 0.000) 10.698 20.012 ( 6.252 -12.219 0.000) 13.726 20.125 ( 0.302 -17.024 0.000) 17.027 22.289 ( 2.719 -1.852 0.000) 3.290 22.469 ( 4.343 -0.207 0.000) 4.348 22.673 ( -6.703 4.123 0.000) 7.870 22.773 ( -2.761 7.680 0.000) 8.161 24.144 ( -2.867 3.510 0.000) 4.532 24.200 ( -2.225 -7.437 0.000) 7.763 24.424 ( 8.758 -6.898 0.000) 11.148 24.546 ( 3.721 -17.348 0.000) 17.743 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( 1.713 17.411 0.000) 17.495 2.387 ( -9.035 9.996 0.000) 13.474 2.560 ( 5.133 16.360 0.000) 17.147 2.672 ( -5.860 12.651 0.000) 13.943 2.961 ( 2.439 6.050 0.000) 6.523 2.971 ( 2.993 11.296 0.000) 11.686 3.022 ( -1.739 5.991 0.000) 6.238 3.043 ( -2.472 12.471 0.000) 12.714 3.294 ( 0.390 8.026 0.000) 8.036 3.303 ( 0.741 5.822 0.000) 5.869 3.394 ( 4.832 8.161 0.000) 9.484 3.519 ( -4.755 2.318 0.000) 5.290 3.599 ( 3.324 7.480 0.000) 8.185 3.676 ( -3.533 1.481 0.000) 3.831 3.812 ( 4.944 11.875 0.000) 12.863 3.931 ( -6.013 7.630 0.000) 9.715 3.943 ( 4.549 11.446 0.000) 12.317 4.001 ( 6.039 9.033 0.000) 10.866 4.079 ( 1.079 1.983 0.000) 2.257 4.231 ( -6.794 8.844 0.000) 11.152 4.797 ( 3.962 9.804 0.000) 10.574 4.889 ( -4.785 12.117 0.000) 13.027 5.086 ( 1.764 3.935 0.000) 4.312 5.100 ( 0.471 7.624 0.000) 7.638 5.849 ( 2.559 -4.158 0.000) 4.882 5.904 ( -2.622 -3.039 0.000) 4.014 6.125 ( 1.792 0.644 0.000) 1.904 6.149 ( -0.977 0.700 0.000) 1.202 6.865 ( -2.699 6.999 0.000) 7.502 6.867 ( -2.623 7.941 0.000) 8.363 7.273 ( 6.968 7.546 0.000) 10.271 7.275 ( 15.130 3.233 0.000) 15.471 7.416 ( -4.975 4.503 0.000) 6.710 7.467 ( 0.543 8.762 0.000) 8.778 7.597 ( 6.377 18.771 0.000) 19.824 7.754 ( -1.345 -2.825 0.000) 3.129 7.835 ( -10.458 7.216 0.000) 12.706 7.853 ( -2.662 -8.926 0.000) 9.315 8.432 ( -0.110 20.172 0.000) 20.172 8.432 ( 0.885 17.886 0.000) 17.908 8.738 ( 7.013 6.916 0.000) 9.849 8.872 ( -6.638 1.256 0.000) 6.756 8.878 ( 11.891 15.960 0.000) 19.903 9.098 ( -5.711 21.211 0.000) 21.966 9.535 ( 4.603 16.973 0.000) 17.586 9.696 ( -6.642 16.346 0.000) 17.643 9.803 ( -3.176 12.478 0.000) 12.875 9.815 ( 0.800 12.242 0.000) 12.268 9.956 ( 8.514 2.891 0.000) 8.991 10.200 ( -8.806 8.247 0.000) 12.065 10.334 ( 14.519 -1.801 0.000) 14.630 10.585 ( -3.343 -9.775 0.000) 10.331 10.687 ( -3.407 4.991 0.000) 6.043 10.724 ( -4.020 -6.334 0.000) 7.502 10.894 ( 1.055 -1.804 0.000) 2.090 10.962 ( -6.262 -7.609 0.000) 9.855 10.968 ( 1.182 -3.596 0.000) 3.785 10.995 ( -0.547 -11.159 0.000) 11.172 11.066 ( 1.851 -9.743 0.000) 9.917 11.168 ( -8.525 8.379 0.000) 11.953 11.722 ( 8.036 1.440 0.000) 8.164 11.872 ( -5.105 9.034 0.000) 10.377 12.006 ( -0.859 8.231 0.000) 8.276 12.082 ( -6.190 10.825 0.000) 12.470 12.460 ( 4.499 3.774 0.000) 5.873 12.593 ( -8.723 8.688 0.000) 12.311 12.695 ( 5.470 2.902 0.000) 6.192 12.783 ( -3.169 2.301 0.000) 3.916 13.736 ( 4.332 -4.595 0.000) 6.316 13.767 ( 1.809 -11.357 0.000) 11.500 14.042 ( 4.311 -7.404 0.000) 8.568 14.108 ( -2.361 -3.970 0.000) 4.619 15.034 ( 1.551 -1.678 0.000) 2.285 15.077 ( -2.835 -2.606 0.000) 3.851 15.486 ( 15.162 -4.878 0.000) 15.928 15.773 ( -13.182 -6.445 0.000) 14.673 15.863 ( 5.344 13.771 0.000) 14.771 15.968 ( -4.837 9.638 0.000) 10.784 16.288 ( 1.894 6.059 0.000) 6.348 16.329 ( -2.173 4.939 0.000) 5.396 17.133 ( 1.896 -4.019 0.000) 4.443 17.173 ( -1.962 -4.120 0.000) 4.563 17.484 ( 13.146 -21.054 0.000) 24.821 17.823 ( -20.843 -20.226 0.000) 29.043 18.377 ( 0.910 15.269 0.000) 15.296 18.403 ( -1.924 15.023 0.000) 15.146 20.104 ( 2.710 -15.305 0.000) 15.543 20.128 ( -0.193 -16.540 0.000) 16.541 22.373 ( 5.929 2.165 0.000) 6.312 22.517 ( -8.263 4.264 0.000) 9.299 22.577 ( 6.133 1.172 0.000) 6.244 22.692 ( -5.221 4.370 0.000) 6.809 24.126 ( 0.677 1.056 0.000) 1.254 24.156 ( -2.066 -3.642 0.000) 4.187 24.565 ( 4.770 -13.095 0.000) 13.937 24.601 ( 0.972 -16.282 0.000) 16.311 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 0.000 18.126 0.000) 18.126 2.763 ( 0.000 8.174 0.000) 8.174 2.856 ( 0.000 3.290 0.000) 3.290 2.970 ( 0.000 6.447 0.000) 6.447 2.997 ( 0.000 -2.738 0.000) 2.738 3.043 ( 0.000 7.648 0.000) 7.648 3.118 ( 0.000 8.990 0.000) 8.990 3.215 ( 0.000 6.947 0.000) 6.947 3.257 ( 0.000 3.562 0.000) 3.562 3.454 ( 0.000 7.953 0.000) 7.953 3.518 ( 0.000 1.089 0.000) 1.089 3.518 ( 0.000 0.043 0.000) 0.043 3.618 ( 0.000 2.720 0.000) 2.720 3.662 ( 0.000 8.644 0.000) 8.644 3.693 ( 0.000 -4.430 0.000) 4.430 4.019 ( 0.000 0.601 0.000) 0.601 4.206 ( 0.000 5.568 0.000) 5.568 4.273 ( 0.000 21.692 0.000) 21.692 4.339 ( 0.000 7.370 0.000) 7.370 4.565 ( 0.000 11.239 0.000) 11.239 4.913 ( 0.000 7.424 0.000) 7.424 4.984 ( 0.000 -0.652 0.000) 0.652 5.149 ( 0.000 5.253 0.000) 5.253 5.215 ( 0.000 7.046 0.000) 7.046 5.809 ( 0.000 4.794 0.000) 4.794 5.959 ( 0.000 0.646 0.000) 0.646 6.085 ( 0.000 2.097 0.000) 2.097 6.238 ( 0.000 1.170 0.000) 1.170 6.955 ( 0.000 3.856 0.000) 3.856 7.161 ( 0.000 6.915 0.000) 6.915 7.167 ( 0.000 -1.744 0.000) 1.744 7.222 ( 0.000 7.421 0.000) 7.421 7.225 ( 0.000 2.461 0.000) 2.461 7.576 ( 0.000 12.305 0.000) 12.305 7.580 ( 0.000 2.071 0.000) 2.071 7.804 ( 0.000 6.643 0.000) 6.643 8.039 ( 0.000 8.970 0.000) 8.970 8.291 ( 0.000 -1.233 0.000) 1.233 8.394 ( 0.000 8.940 0.000) 8.940 8.825 ( 0.000 9.246 0.000) 9.246 8.905 ( 0.000 10.309 0.000) 10.309 8.956 ( 0.000 16.773 0.000) 16.773 9.087 ( 0.000 4.672 0.000) 4.672 9.352 ( 0.000 20.875 0.000) 20.875 9.607 ( 0.000 4.061 0.000) 4.061 9.722 ( 0.000 0.814 0.000) 0.814 9.823 ( 0.000 -25.472 0.000) 25.472 9.895 ( 0.000 -0.960 0.000) 0.960 10.091 ( 0.000 -24.206 0.000) 24.206 10.237 ( 0.000 2.958 0.000) 2.958 10.251 ( 0.000 -0.307 0.000) 0.307 10.261 ( 0.000 -3.307 0.000) 3.307 10.521 ( 0.000 -0.081 0.000) 0.081 10.718 ( 0.000 -4.177 0.000) 4.177 10.961 ( 0.000 27.234 0.000) 27.234 10.987 ( 0.000 -11.099 0.000) 11.099 11.078 ( 0.000 11.075 0.000) 11.075 11.091 ( 0.000 -2.376 0.000) 2.376 11.468 ( 0.000 -0.233 0.000) 0.233 11.603 ( 0.000 11.371 0.000) 11.371 11.708 ( 0.000 21.559 0.000) 21.559 12.141 ( 0.000 18.999 0.000) 18.999 12.206 ( 0.000 -0.386 0.000) 0.386 12.499 ( 0.000 13.030 0.000) 13.030 12.573 ( 0.000 -0.385 0.000) 0.385 12.741 ( 0.000 17.119 0.000) 17.119 12.766 ( 0.000 -3.335 0.000) 3.335 13.198 ( 0.000 13.411 0.000) 13.411 13.239 ( 0.000 -18.476 0.000) 18.476 13.634 ( 0.000 -2.531 0.000) 2.531 13.639 ( 0.000 -8.549 0.000) 8.549 14.020 ( 0.000 -6.831 0.000) 6.831 14.959 ( 0.000 -4.031 0.000) 4.031 14.990 ( 0.000 -6.601 0.000) 6.601 15.080 ( 0.000 -2.114 0.000) 2.114 15.788 ( 0.000 -14.362 0.000) 14.362 16.082 ( 0.000 18.503 0.000) 18.503 16.226 ( 0.000 10.613 0.000) 10.613 16.390 ( 0.000 6.249 0.000) 6.249 16.460 ( 0.000 3.601 0.000) 3.601 16.894 ( 0.000 -11.121 0.000) 11.121 17.088 ( 0.000 0.647 0.000) 0.647 17.192 ( 0.000 1.485 0.000) 1.485 17.997 ( 0.000 -21.720 0.000) 21.720 18.658 ( 0.000 14.876 0.000) 14.876 18.747 ( 0.000 12.217 0.000) 12.217 19.723 ( 0.000 -11.400 0.000) 11.400 19.786 ( 0.000 -16.289 0.000) 16.289 22.180 ( 0.000 -3.742 0.000) 3.742 22.348 ( 0.000 -6.178 0.000) 6.178 22.699 ( 0.000 -6.053 0.000) 6.053 22.843 ( 0.000 -4.308 0.000) 4.308 24.107 ( 0.000 -3.977 0.000) 3.977 24.226 ( 0.000 -9.668 0.000) 9.668 24.247 ( 0.000 -0.013 0.000) 0.013 24.267 ( 0.000 -0.109 0.000) 0.109 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.675 ( -7.150 2.727 0.000) 7.652 2.698 ( -4.156 17.757 0.000) 18.237 2.813 ( 0.581 13.899 0.000) 13.911 2.949 ( -2.049 7.950 0.000) 8.210 3.047 ( 0.510 6.120 0.000) 6.141 3.103 ( 2.734 -0.048 0.000) 2.734 3.138 ( 1.549 7.258 0.000) 7.421 3.252 ( 5.688 3.512 0.000) 6.685 3.268 ( 0.594 4.994 0.000) 5.029 3.432 ( -1.735 6.845 0.000) 7.061 3.505 ( -0.798 4.185 0.000) 4.260 3.519 ( -0.161 -0.548 0.000) 0.571 3.665 ( 2.453 -2.309 0.000) 3.368 3.697 ( 3.113 7.357 0.000) 7.989 3.762 ( 8.057 -2.666 0.000) 8.487 4.001 ( -2.092 0.812 0.000) 2.244 4.167 ( -3.290 6.736 0.000) 7.496 4.205 ( -4.250 18.117 0.000) 18.609 4.304 ( -3.279 7.376 0.000) 8.072 4.548 ( -5.052 9.275 0.000) 10.562 4.895 ( 2.666 7.196 0.000) 7.674 5.077 ( 6.221 3.831 0.000) 7.306 5.150 ( -0.488 7.035 0.000) 7.052 5.234 ( 1.739 6.733 0.000) 6.954 5.807 ( -0.041 3.866 0.000) 3.866 5.934 ( -2.410 0.384 0.000) 2.440 6.102 ( 1.066 0.201 0.000) 1.085 6.206 ( -2.848 0.674 0.000) 2.927 7.029 ( 0.926 1.966 0.000) 2.173 7.060 ( 3.308 5.584 0.000) 6.490 7.110 ( -5.445 7.871 0.000) 9.571 7.254 ( 4.615 4.919 0.000) 6.745 7.427 ( 11.899 -1.451 0.000) 11.987 7.555 ( 2.048 4.921 0.000) 5.330 7.700 ( 5.218 8.418 0.000) 9.904 7.763 ( -2.926 8.027 0.000) 8.544 7.926 ( -7.145 5.383 0.000) 8.946 8.204 ( -7.764 1.798 0.000) 7.970 8.590 ( 13.880 12.053 0.000) 18.383 8.822 ( -0.795 10.250 0.000) 10.281 8.887 ( -1.820 10.019 0.000) 10.183 9.004 ( 6.064 16.692 0.000) 17.759 9.028 ( -5.235 4.872 0.000) 7.151 9.410 ( 4.676 16.802 0.000) 17.441 9.699 ( 8.788 2.880 0.000) 9.248 9.826 ( 0.499 -20.982 0.000) 20.988 9.847 ( -3.079 4.849 0.000) 5.744 9.882 ( 14.697 1.422 0.000) 14.766 10.070 ( -1.116 -27.664 0.000) 27.686 10.142 ( -7.005 -0.302 0.000) 7.011 10.222 ( -4.096 9.634 0.000) 10.469 10.283 ( -0.843 -6.102 0.000) 6.160 10.497 ( -1.067 -7.554 0.000) 7.629 10.577 ( -11.736 0.877 0.000) 11.768 10.856 ( -9.104 -11.196 0.000) 14.430 11.052 ( 5.721 12.031 0.000) 13.322 11.081 ( 0.323 9.947 0.000) 9.952 11.162 ( 4.871 9.050 0.000) 10.277 11.307 ( -15.050 1.671 0.000) 15.142 11.576 ( -3.674 11.439 0.000) 12.014 11.759 ( 5.063 19.066 0.000) 19.727 12.101 ( -0.654 9.514 0.000) 9.537 12.263 ( 0.783 9.865 0.000) 9.896 12.422 ( -5.454 10.091 0.000) 11.470 12.549 ( -7.843 6.274 0.000) 10.043 12.649 ( 5.092 2.936 0.000) 5.878 12.863 ( 1.281 4.857 0.000) 5.023 12.960 ( -13.186 1.115 0.000) 13.233 13.434 ( 9.101 -6.076 0.000) 10.943 13.600 ( 0.548 -4.405 0.000) 4.439 13.768 ( 8.023 -6.295 0.000) 10.198 14.027 ( 0.324 -6.695 0.000) 6.703 14.965 ( 0.705 -3.464 0.000) 3.536 15.064 ( -1.548 -1.923 0.000) 2.469 15.095 ( 9.812 -7.402 0.000) 12.291 15.732 ( -5.662 -13.662 0.000) 14.789 16.109 ( 2.450 17.743 0.000) 17.911 16.219 ( -0.662 10.785 0.000) 10.805 16.396 ( 0.531 6.437 0.000) 6.458 16.446 ( -1.248 3.924 0.000) 4.118 16.953 ( 6.140 -10.916 0.000) 12.524 17.101 ( 1.298 0.430 0.000) 1.368 17.184 ( -0.848 1.393 0.000) 1.631 17.832 ( -15.326 -19.132 0.000) 24.514 18.663 ( 0.491 14.866 0.000) 14.874 18.727 ( -1.532 13.559 0.000) 13.646 19.758 ( 2.711 -13.229 0.000) 13.503 19.792 ( 0.527 -16.234 0.000) 16.243 22.221 ( 4.093 -3.832 0.000) 5.606 22.398 ( 4.841 -6.117 0.000) 7.801 22.638 ( -5.833 -5.508 0.000) 8.023 22.796 ( -4.657 -4.749 0.000) 6.651 24.101 ( 0.008 -3.049 0.000) 3.049 24.193 ( -2.665 1.484 0.000) 3.050 24.278 ( 4.111 -9.758 0.000) 10.589 24.328 ( 3.236 -3.489 0.000) 4.759 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( -1.498 9.838 0.000) 9.951 2.612 ( -3.679 15.430 0.000) 15.862 2.845 ( 2.350 12.601 0.000) 12.819 2.898 ( -2.866 10.290 0.000) 10.681 3.065 ( 1.318 4.158 0.000) 4.361 3.096 ( -1.647 2.243 0.000) 2.783 3.189 ( 3.474 8.857 0.000) 9.514 3.253 ( -2.412 8.107 0.000) 8.458 3.371 ( 4.281 1.332 0.000) 4.483 3.408 ( -0.611 3.697 0.000) 3.747 3.493 ( -0.140 1.559 0.000) 1.565 3.506 ( -1.043 -1.613 0.000) 1.921 3.716 ( 2.955 2.759 0.000) 4.043 3.750 ( 0.880 6.164 0.000) 6.226 3.930 ( 4.640 -5.404 0.000) 7.123 3.950 ( -1.589 1.713 0.000) 2.336 4.142 ( 4.352 8.432 0.000) 9.489 4.172 ( 0.898 10.804 0.000) 10.841 4.231 ( -3.325 8.284 0.000) 8.927 4.359 ( -12.337 4.957 0.000) 13.296 5.005 ( 6.501 11.060 0.000) 12.829 5.110 ( -3.776 9.996 0.000) 10.686 5.195 ( 5.199 6.272 0.000) 8.147 5.255 ( -0.570 7.035 0.000) 7.058 5.818 ( 1.575 1.449 0.000) 2.141 5.872 ( -3.482 0.011 0.000) 3.482 6.118 ( 0.855 -1.602 0.000) 1.816 6.149 ( -2.408 -0.807 0.000) 2.540 6.981 ( -0.798 6.251 0.000) 6.301 7.010 ( -3.714 7.309 0.000) 8.199 7.297 ( 12.965 0.582 0.000) 12.978 7.362 ( 4.796 0.686 0.000) 4.845 7.552 ( 0.351 5.626 0.000) 5.637 7.610 ( 0.493 8.395 0.000) 8.410 7.703 ( -3.174 2.043 0.000) 3.774 7.744 ( -2.470 1.899 0.000) 3.116 7.874 ( 6.199 7.902 0.000) 10.043 8.041 ( -8.167 8.220 0.000) 11.588 8.791 ( 5.672 17.079 0.000) 17.996 8.803 ( -0.266 10.397 0.000) 10.401 8.842 ( -1.607 4.945 0.000) 5.200 8.915 ( -5.593 7.726 0.000) 9.538 9.223 ( 14.039 14.680 0.000) 20.312 9.429 ( -5.029 10.406 0.000) 11.557 9.854 ( 6.247 12.261 0.000) 13.761 9.862 ( 4.005 -6.648 0.000) 7.761 9.939 ( 11.441 -4.309 0.000) 12.225 10.007 ( -6.278 1.451 0.000) 6.443 10.053 ( -8.061 10.560 0.000) 13.285 10.077 ( 1.415 -23.045 0.000) 23.088 10.105 ( -0.424 -7.207 0.000) 7.219 10.264 ( -10.179 0.896 0.000) 10.218 10.392 ( 8.871 -6.863 0.000) 11.216 10.508 ( 1.066 -12.467 0.000) 12.512 10.713 ( -2.886 -10.394 0.000) 10.787 10.929 ( -21.049 -0.279 0.000) 21.051 11.094 ( 0.942 7.026 0.000) 7.089 11.106 ( 0.208 3.628 0.000) 3.634 11.299 ( 8.365 18.442 0.000) 20.250 11.460 ( -7.540 14.983 0.000) 16.773 11.899 ( 8.943 15.131 0.000) 17.577 12.082 ( -6.754 10.193 0.000) 12.227 12.206 ( 1.105 12.070 0.000) 12.121 12.305 ( -6.258 10.478 0.000) 12.204 12.550 ( 5.918 3.984 0.000) 7.134 12.713 ( -8.758 2.520 0.000) 9.113 12.755 ( 2.892 3.225 0.000) 4.332 12.834 ( -3.340 3.789 0.000) 5.051 13.570 ( 4.594 -6.547 0.000) 7.998 13.615 ( -0.134 -5.696 0.000) 5.698 13.921 ( 6.654 -5.834 0.000) 8.849 14.011 ( -2.430 -6.219 0.000) 6.677 14.988 ( 1.583 -2.429 0.000) 2.899 15.026 ( -2.146 -1.801 0.000) 2.802 15.331 ( 12.977 -9.341 0.000) 15.990 15.569 ( -10.624 -11.752 0.000) 15.842 16.163 ( 2.591 15.180 0.000) 15.400 16.201 ( -1.310 12.130 0.000) 12.200 16.407 ( 0.564 6.292 0.000) 6.317 16.422 ( -1.018 5.105 0.000) 5.205 17.116 ( 4.982 -1.653 0.000) 5.250 17.160 ( -1.569 1.195 0.000) 1.972 17.161 ( 10.136 -9.252 0.000) 13.723 17.475 ( -18.820 -14.357 0.000) 23.671 18.677 ( 0.917 14.813 0.000) 14.841 18.699 ( -1.297 14.569 0.000) 14.626 19.798 ( 1.077 -15.274 0.000) 15.312 19.803 ( 0.401 -16.020 0.000) 16.025 22.336 ( 7.274 -4.017 0.000) 8.310 22.493 ( -8.263 -4.550 0.000) 9.432 22.523 ( 7.451 -5.977 0.000) 9.552 22.673 ( -7.351 -5.532 0.000) 9.200 24.115 ( 1.349 -0.969 0.000) 1.661 24.148 ( -1.968 0.905 0.000) 2.166 24.351 ( 2.679 -9.282 0.000) 9.661 24.371 ( 0.742 -7.113 0.000) 7.152 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( 0.000 -0.835 0.000) 0.835 2.887 ( 0.000 -6.369 0.000) 6.369 3.008 ( 0.000 8.068 0.000) 8.068 3.060 ( 0.000 10.638 0.000) 10.638 3.068 ( 0.000 3.201 0.000) 3.201 3.199 ( 0.000 7.904 0.000) 7.904 3.248 ( 0.000 3.037 0.000) 3.037 3.300 ( 0.000 1.217 0.000) 1.217 3.339 ( 0.000 5.564 0.000) 5.564 3.517 ( 0.000 0.446 0.000) 0.446 3.566 ( 0.000 2.726 0.000) 2.726 3.567 ( 0.000 3.030 0.000) 3.030 3.574 ( 0.000 -6.848 0.000) 6.848 3.643 ( 0.000 -0.070 0.000) 0.070 3.804 ( 0.000 5.527 0.000) 5.527 3.974 ( 0.000 -4.130 0.000) 4.130 4.324 ( 0.000 5.900 0.000) 5.900 4.432 ( 0.000 1.912 0.000) 1.912 4.624 ( 0.000 13.356 0.000) 13.356 4.741 ( 0.000 6.219 0.000) 6.219 4.988 ( 0.000 0.767 0.000) 0.767 5.011 ( 0.000 2.117 0.000) 2.117 5.243 ( 0.000 4.018 0.000) 4.018 5.295 ( 0.000 1.766 0.000) 1.766 5.962 ( 0.000 9.157 0.000) 9.157 5.984 ( 0.000 1.858 0.000) 1.858 6.086 ( 0.000 -2.024 0.000) 2.024 6.225 ( 0.000 -2.697 0.000) 2.697 7.054 ( 0.000 6.639 0.000) 6.639 7.241 ( 0.000 -0.985 0.000) 0.985 7.273 ( 0.000 11.996 0.000) 11.996 7.294 ( 0.000 5.990 0.000) 5.990 7.342 ( 0.000 4.268 0.000) 4.268 7.721 ( 0.000 11.491 0.000) 11.491 7.795 ( 0.000 9.462 0.000) 9.462 7.828 ( 0.000 -5.218 0.000) 5.218 8.233 ( 0.000 10.057 0.000) 10.057 8.239 ( 0.000 -3.026 0.000) 3.026 8.522 ( 0.000 1.739 0.000) 1.739 8.683 ( 0.000 -18.952 0.000) 18.952 9.053 ( 0.000 3.566 0.000) 3.566 9.169 ( 0.000 -7.055 0.000) 7.055 9.347 ( 0.000 15.952 0.000) 15.952 9.391 ( 0.000 2.503 0.000) 2.503 9.519 ( 0.000 -0.929 0.000) 0.929 9.602 ( 0.000 -10.065 0.000) 10.065 9.737 ( 0.000 -0.276 0.000) 0.276 9.819 ( 0.000 14.031 0.000) 14.031 10.031 ( 0.000 2.137 0.000) 2.137 10.039 ( 0.000 -14.905 0.000) 14.905 10.164 ( 0.000 -4.774 0.000) 4.774 10.286 ( 0.000 -0.396 0.000) 0.396 10.731 ( 0.000 1.650 0.000) 1.650 10.767 ( 0.000 -7.762 0.000) 7.762 10.811 ( 0.000 20.925 0.000) 20.925 11.071 ( 0.000 3.989 0.000) 3.989 11.239 ( 0.000 4.924 0.000) 4.924 11.350 ( 0.000 7.042 0.000) 7.042 11.415 ( 0.000 -4.096 0.000) 4.096 11.586 ( 0.000 -10.366 0.000) 10.366 12.112 ( 0.000 17.846 0.000) 17.846 12.266 ( 0.000 6.435 0.000) 6.435 12.521 ( 0.000 -3.885 0.000) 3.885 12.549 ( 0.000 10.358 0.000) 10.358 12.688 ( 0.000 3.236 0.000) 3.236 12.731 ( 0.000 8.719 0.000) 8.719 12.935 ( 0.000 -11.001 0.000) 11.001 12.985 ( 0.000 5.587 0.000) 5.587 13.418 ( 0.000 9.850 0.000) 9.850 13.523 ( 0.000 -2.598 0.000) 2.598 13.576 ( 0.000 -3.075 0.000) 3.075 13.853 ( 0.000 -10.143 0.000) 10.143 14.874 ( 0.000 -3.678 0.000) 3.678 14.882 ( 0.000 -3.906 0.000) 3.906 15.109 ( 0.000 5.339 0.000) 5.339 15.516 ( 0.000 -13.013 0.000) 13.013 16.417 ( 0.000 13.350 0.000) 13.350 16.434 ( 0.000 9.311 0.000) 9.311 16.509 ( 0.000 5.239 0.000) 5.239 16.529 ( 0.000 2.979 0.000) 2.979 16.797 ( 0.000 1.308 0.000) 1.308 17.062 ( 0.000 -4.098 0.000) 4.098 17.242 ( 0.000 3.491 0.000) 3.491 17.611 ( 0.000 -16.518 0.000) 16.518 18.945 ( 0.000 14.076 0.000) 14.076 18.997 ( 0.000 12.549 0.000) 12.549 19.485 ( 0.000 -14.159 0.000) 14.159 19.486 ( 0.000 -12.280 0.000) 12.280 22.128 ( 0.000 -1.272 0.000) 1.272 22.222 ( 0.000 -5.770 0.000) 5.770 22.580 ( 0.000 -4.408 0.000) 4.408 22.695 ( 0.000 -8.692 0.000) 8.692 24.054 ( 0.000 -1.530 0.000) 1.530 24.096 ( 0.000 -4.120 0.000) 4.120 24.240 ( 0.000 -0.368 0.000) 0.368 24.257 ( 0.000 -0.857 0.000) 0.857 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.735 ( -0.406 3.826 0.000) 3.847 2.972 ( -3.411 9.337 0.000) 9.940 2.979 ( 6.070 -6.416 0.000) 8.833 3.066 ( 0.676 9.217 0.000) 9.241 3.073 ( 0.288 3.539 0.000) 3.551 3.170 ( -2.347 7.318 0.000) 7.685 3.262 ( 1.596 2.628 0.000) 3.075 3.323 ( 1.900 1.100 0.000) 2.196 3.335 ( 0.435 4.587 0.000) 4.607 3.493 ( -2.476 -0.090 0.000) 2.478 3.527 ( -3.094 -3.566 0.000) 4.721 3.538 ( -2.573 1.582 0.000) 3.020 3.638 ( 5.995 1.292 0.000) 6.133 3.715 ( 5.715 -1.825 0.000) 6.000 3.817 ( 1.198 4.673 0.000) 4.824 3.964 ( -1.057 -3.621 0.000) 3.772 4.302 ( -1.679 6.307 0.000) 6.527 4.402 ( -2.675 2.346 0.000) 3.558 4.485 ( -8.743 10.559 0.000) 13.709 4.657 ( -10.038 1.893 0.000) 10.215 5.048 ( 8.771 7.567 0.000) 11.584 5.154 ( 8.237 2.832 0.000) 8.710 5.264 ( 1.645 4.511 0.000) 4.802 5.318 ( 2.069 2.085 0.000) 2.938 5.941 ( -1.995 8.333 0.000) 8.569 5.956 ( -2.570 1.753 0.000) 3.111 6.069 ( -1.317 -3.178 0.000) 3.440 6.189 ( -3.412 -2.671 0.000) 4.333 7.139 ( 7.414 7.172 0.000) 10.315 7.187 ( -2.469 7.647 0.000) 8.036 7.252 ( -5.097 5.929 0.000) 7.819 7.321 ( 0.076 1.931 0.000) 1.933 7.410 ( 10.158 1.153 0.000) 10.223 7.731 ( 3.207 13.561 0.000) 13.936 7.803 ( -0.629 -5.079 0.000) 5.117 7.889 ( 4.050 9.240 0.000) 10.089 8.109 ( -7.581 12.970 0.000) 15.023 8.200 ( -3.198 -1.870 0.000) 3.704 8.672 ( -1.233 -19.628 0.000) 19.667 8.708 ( 10.925 -5.693 0.000) 12.320 9.040 ( -0.223 5.158 0.000) 5.163 9.197 ( 2.960 -2.315 0.000) 3.757 9.288 ( -4.088 13.961 0.000) 14.548 9.498 ( 10.420 4.902 0.000) 11.515 9.513 ( -3.383 -5.955 0.000) 6.849 9.658 ( 6.748 -1.858 0.000) 6.999 9.856 ( 3.742 9.242 0.000) 9.971 9.881 ( 13.374 -2.762 0.000) 13.656 9.964 ( -2.255 0.377 0.000) 2.287 10.106 ( 3.326 -11.393 0.000) 11.868 10.144 ( -1.701 -2.817 0.000) 3.291 10.238 ( -4.471 1.388 0.000) 4.681 10.597 ( -11.165 -0.481 0.000) 11.176 10.648 ( -10.191 -8.185 0.000) 13.070 10.721 ( -9.427 20.532 0.000) 22.593 11.122 ( 3.790 5.519 0.000) 6.695 11.209 ( -4.572 1.811 0.000) 4.918 11.289 ( -10.646 -0.848 0.000) 10.680 11.420 ( 5.350 5.014 0.000) 7.333 11.594 ( 0.218 -8.459 0.000) 8.461 12.132 ( 2.001 16.288 0.000) 16.411 12.223 ( -2.282 6.080 0.000) 6.494 12.499 ( -2.255 -1.683 0.000) 2.814 12.535 ( -5.490 -5.778 0.000) 7.971 12.626 ( -0.244 20.495 0.000) 20.496 12.762 ( 2.656 6.529 0.000) 7.049 12.862 ( -5.917 -5.408 0.000) 8.016 12.988 ( -1.106 4.262 0.000) 4.404 13.466 ( 3.897 6.406 0.000) 7.499 13.536 ( 1.645 -0.971 0.000) 1.910 13.659 ( 6.567 -5.282 0.000) 8.427 13.860 ( 0.469 -10.125 0.000) 10.136 14.899 ( 2.459 -2.403 0.000) 3.438 14.965 ( 7.832 -5.229 0.000) 9.417 15.090 ( -1.925 4.876 0.000) 5.242 15.472 ( -4.430 -12.412 0.000) 13.179 16.421 ( 0.243 12.072 0.000) 12.074 16.428 ( -0.475 9.376 0.000) 9.388 16.516 ( 0.554 5.030 0.000) 5.060 16.527 ( -0.123 3.724 0.000) 3.726 16.850 ( 5.475 0.662 0.000) 5.515 17.079 ( 1.687 -3.583 0.000) 3.961 17.224 ( -1.731 2.539 0.000) 3.073 17.506 ( -9.980 -13.475 0.000) 16.768 18.950 ( 0.421 14.034 0.000) 14.040 18.990 ( -0.581 12.907 0.000) 12.920 19.490 ( 0.502 -14.232 0.000) 14.241 19.496 ( 0.793 -13.081 0.000) 13.105 22.165 ( 3.698 -1.420 0.000) 3.961 22.267 ( 4.409 -6.193 0.000) 7.602 22.530 ( -4.858 -3.953 0.000) 6.263 22.646 ( -4.682 -8.486 0.000) 9.692 24.065 ( 1.446 -0.698 0.000) 1.606 24.139 ( 3.544 -4.839 0.000) 5.998 24.211 ( -2.091 0.596 0.000) 2.174 24.270 ( 0.365 -2.534 0.000) 2.561 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 4.275 9.438 0.000) 10.361 2.880 ( -5.597 11.274 0.000) 12.587 3.054 ( 1.570 4.374 0.000) 4.647 3.072 ( -0.491 4.919 0.000) 4.943 3.095 ( 1.894 1.747 0.000) 2.577 3.127 ( -1.761 4.453 0.000) 4.789 3.317 ( 3.790 3.055 0.000) 4.869 3.359 ( 0.990 2.319 0.000) 2.522 3.369 ( 2.628 -0.597 0.000) 2.694 3.425 ( -3.807 -1.664 0.000) 4.155 3.472 ( -2.085 -2.803 0.000) 3.494 3.480 ( -2.785 -1.229 0.000) 3.044 3.767 ( 6.214 1.961 0.000) 6.517 3.835 ( -0.272 2.733 0.000) 2.747 3.836 ( 5.592 -3.279 0.000) 6.482 3.922 ( -3.399 -2.747 0.000) 4.370 4.294 ( 1.984 6.339 0.000) 6.642 4.353 ( -2.040 4.798 0.000) 5.214 4.353 ( -3.245 6.268 0.000) 7.058 4.441 ( -10.008 2.819 0.000) 10.397 5.208 ( 6.067 8.584 0.000) 10.512 5.276 ( -1.070 6.562 0.000) 6.649 5.301 ( 5.943 3.733 0.000) 7.018 5.354 ( 0.551 2.752 0.000) 2.807 5.898 ( -1.702 5.868 0.000) 6.110 5.902 ( -2.157 2.762 0.000) 3.505 6.061 ( 0.968 -3.996 0.000) 4.112 6.111 ( -3.820 -3.213 0.000) 4.992 7.135 ( -0.946 8.562 0.000) 8.614 7.158 ( -3.360 7.097 0.000) 7.852 7.301 ( 5.074 -0.398 0.000) 5.090 7.332 ( 0.447 -2.537 0.000) 2.576 7.609 ( 10.445 3.904 0.000) 11.150 7.808 ( -2.780 11.035 0.000) 11.380 7.855 ( -0.532 12.547 0.000) 12.559 7.889 ( 7.619 0.551 0.000) 7.639 7.986 ( -3.331 12.305 0.000) 12.748 8.117 ( -7.076 -0.490 0.000) 7.093 8.674 ( 2.989 -18.442 0.000) 18.682 8.766 ( -3.996 -16.152 0.000) 16.639 9.109 ( 5.917 12.891 0.000) 14.184 9.209 ( -4.212 13.636 0.000) 14.271 9.287 ( 5.999 -3.054 0.000) 6.732 9.412 ( -6.209 -5.732 0.000) 8.450 9.752 ( 11.922 7.551 0.000) 14.112 9.801 ( 5.565 0.524 0.000) 5.590 9.919 ( 3.399 1.393 0.000) 3.673 10.017 ( -4.097 -4.276 0.000) 5.922 10.043 ( 10.234 2.910 0.000) 10.640 10.131 ( -1.635 4.706 0.000) 4.982 10.159 ( 1.253 -8.291 0.000) 8.385 10.279 ( 10.135 -3.679 0.000) 10.783 10.324 ( -13.202 2.274 0.000) 13.397 10.468 ( -13.410 13.990 0.000) 19.379 10.532 ( 4.320 -8.035 0.000) 9.122 10.886 ( -22.588 -4.250 0.000) 22.985 11.182 ( 2.104 6.415 0.000) 6.751 11.212 ( -1.251 6.338 0.000) 6.460 11.516 ( 4.081 1.297 0.000) 4.282 11.577 ( -2.070 -3.762 0.000) 4.294 12.188 ( 3.367 10.958 0.000) 11.464 12.220 ( 0.896 4.625 0.000) 4.711 12.410 ( -3.989 1.872 0.000) 4.407 12.431 ( -4.195 1.151 0.000) 4.350 12.666 ( 2.735 12.453 0.000) 12.750 12.734 ( -4.489 3.268 0.000) 5.552 12.848 ( 4.180 5.181 0.000) 6.657 12.933 ( -3.970 4.423 0.000) 5.943 13.536 ( 2.689 2.581 0.000) 3.727 13.561 ( 0.233 0.498 0.000) 0.550 13.785 ( 5.362 -7.909 0.000) 9.555 13.853 ( -1.624 -9.592 0.000) 9.728 14.963 ( 3.763 0.573 0.000) 3.807 15.036 ( -3.425 3.319 0.000) 4.769 15.154 ( 10.374 -8.034 0.000) 13.121 15.344 ( -8.400 -10.664 0.000) 13.575 16.421 ( -0.132 9.504 0.000) 9.505 16.422 ( -0.117 10.138 0.000) 10.138 16.525 ( 0.291 4.739 0.000) 4.748 16.527 ( 0.064 4.564 0.000) 4.564 17.012 ( 10.827 -1.829 0.000) 10.980 17.124 ( 2.786 -2.060 0.000) 3.465 17.178 ( -2.903 0.240 0.000) 2.913 17.263 ( -13.404 -7.089 0.000) 15.163 18.961 ( 0.715 13.868 0.000) 13.886 18.976 ( -0.792 13.491 0.000) 13.514 19.502 ( 0.545 -14.344 0.000) 14.354 19.507 ( 0.140 -14.096 0.000) 14.097 22.268 ( 6.501 -1.987 0.000) 6.798 22.383 ( 6.951 -7.080 0.000) 9.922 22.406 ( -7.149 -2.947 0.000) 7.733 22.525 ( -7.125 -7.919 0.000) 10.653 24.109 ( 2.738 0.347 0.000) 2.760 24.163 ( -2.677 0.860 0.000) 2.811 24.212 ( 3.357 -5.248 0.000) 6.230 24.260 ( -1.470 -4.376 0.000) 4.616 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 0.000 -3.246 0.000) 3.246 2.786 ( 0.000 3.246 0.000) 3.246 3.090 ( 0.000 -1.117 0.000) 1.117 3.090 ( 0.000 1.117 0.000) 1.117 3.225 ( 0.000 -5.287 0.000) 5.287 3.225 ( 0.000 5.287 0.000) 5.287 3.302 ( 0.000 -1.785 0.000) 1.785 3.302 ( 0.000 1.785 0.000) 1.785 3.446 ( 0.000 -5.718 0.000) 5.718 3.446 ( 0.000 5.718 0.000) 5.718 3.556 ( 0.000 -2.857 0.000) 2.857 3.556 ( 0.000 2.857 0.000) 2.857 3.621 ( 0.000 -2.082 0.000) 2.082 3.621 ( 0.000 2.082 0.000) 2.082 3.891 ( 0.000 -3.882 0.000) 3.882 3.891 ( 0.000 3.882 0.000) 3.882 4.418 ( 0.000 -3.099 0.000) 3.099 4.418 ( 0.000 3.099 0.000) 3.099 4.786 ( 0.000 -2.582 0.000) 2.582 4.786 ( 0.000 2.582 0.000) 2.582 5.009 ( 0.000 -1.298 0.000) 1.298 5.009 ( 0.000 1.298 0.000) 1.298 5.298 ( 0.000 -1.374 0.000) 1.374 5.298 ( 0.000 1.374 0.000) 1.374 6.032 ( 0.000 -2.861 0.000) 2.861 6.032 ( 0.000 2.862 0.000) 2.862 6.128 ( 0.000 -6.972 0.000) 6.972 6.128 ( 0.000 6.972 0.000) 6.972 7.181 ( 0.000 -5.083 0.000) 5.083 7.181 ( 0.000 5.083 0.000) 5.083 7.373 ( 0.000 -1.406 0.000) 1.406 7.373 ( 0.000 1.406 0.000) 1.406 7.588 ( 0.000 -17.137 0.000) 17.137 7.588 ( 0.000 17.137 0.000) 17.137 7.906 ( 0.000 -1.218 0.000) 1.218 7.906 ( 0.000 1.218 0.000) 1.218 8.294 ( 0.000 -13.808 0.000) 13.808 8.294 ( 0.000 13.808 0.000) 13.808 8.424 ( 0.000 -8.985 0.000) 8.985 8.424 ( 0.000 8.985 0.000) 8.985 9.062 ( 0.000 -0.397 0.000) 0.397 9.062 ( 0.000 0.397 0.000) 0.397 9.481 ( 0.000 -1.562 0.000) 1.562 9.481 ( 0.000 1.562 0.000) 1.562 9.620 ( 0.000 -11.491 0.000) 11.491 9.620 ( 0.000 11.491 0.000) 11.491 9.728 ( 0.000 -15.908 0.000) 15.908 9.728 ( 0.000 15.908 0.000) 15.908 10.013 ( 0.000 -4.905 0.000) 4.905 10.013 ( 0.000 4.905 0.000) 4.905 10.193 ( 0.000 -6.622 0.000) 6.622 10.193 ( 0.000 6.622 0.000) 6.622 10.716 ( 0.000 -1.331 0.000) 1.331 10.716 ( 0.000 1.331 0.000) 1.331 11.218 ( 0.000 -15.615 0.000) 15.615 11.218 ( 0.000 15.615 0.000) 15.615 11.262 ( 0.000 -11.666 0.000) 11.666 11.262 ( 0.000 11.667 0.000) 11.667 11.358 ( 0.000 -1.564 0.000) 1.564 11.358 ( 0.000 1.564 0.000) 1.564 12.397 ( 0.000 -10.341 0.000) 10.341 12.397 ( 0.000 10.341 0.000) 10.341 12.435 ( 0.000 -9.666 0.000) 9.666 12.435 ( 0.000 9.666 0.000) 9.666 12.821 ( 0.000 -2.052 0.000) 2.052 12.821 ( 0.000 2.052 0.000) 2.052 12.938 ( 0.000 -9.772 0.000) 9.772 12.938 ( 0.000 9.772 0.000) 9.772 13.525 ( 0.000 -1.879 0.000) 1.879 13.525 ( 0.000 1.879 0.000) 1.879 13.630 ( 0.000 -11.626 0.000) 11.626 13.630 ( 0.000 11.626 0.000) 11.626 14.839 ( 0.000 -0.301 0.000) 0.301 14.839 ( 0.000 0.302 0.000) 0.302 15.277 ( 0.000 -10.826 0.000) 10.826 15.277 ( 0.000 10.827 0.000) 10.827 16.553 ( 0.000 -1.861 0.000) 1.861 16.553 ( 0.000 1.861 0.000) 1.861 16.554 ( 0.000 -1.373 0.000) 1.373 16.554 ( 0.000 1.373 0.000) 1.373 16.923 ( 0.000 -8.995 0.000) 8.995 16.923 ( 0.000 8.995 0.000) 8.995 17.357 ( 0.000 -9.006 0.000) 9.006 17.357 ( 0.000 9.006 0.000) 9.006 19.216 ( 0.000 -13.344 0.000) 13.344 19.216 ( 0.000 13.344 0.000) 13.344 19.242 ( 0.000 -12.293 0.000) 12.293 19.242 ( 0.000 12.293 0.000) 12.293 22.138 ( 0.000 -2.428 0.000) 2.428 22.138 ( 0.000 2.428 0.000) 2.428 22.565 ( 0.000 -3.266 0.000) 3.266 22.565 ( 0.000 3.266 0.000) 3.266 24.047 ( 0.000 -0.979 0.000) 0.979 24.047 ( 0.000 0.980 0.000) 0.980 24.241 ( 0.000 -0.542 0.000) 0.542 24.241 ( 0.000 0.542 0.000) 0.542 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 4.839 -6.467 0.000) 8.077 2.837 ( 4.839 6.467 0.000) 8.077 3.081 ( -0.979 -2.397 0.000) 2.589 3.081 ( -0.979 2.397 0.000) 2.589 3.228 ( 0.381 -5.696 0.000) 5.708 3.228 ( 0.381 5.696 0.000) 5.708 3.300 ( -0.252 -4.068 0.000) 4.076 3.300 ( -0.252 4.068 0.000) 4.076 3.430 ( -1.168 -4.976 0.000) 5.111 3.430 ( -1.168 4.976 0.000) 5.111 3.517 ( -3.631 -2.529 0.000) 4.425 3.517 ( -3.631 2.529 0.000) 4.425 3.679 ( 5.237 -2.035 0.000) 5.618 3.679 ( 5.237 2.036 0.000) 5.618 3.892 ( -0.013 -3.415 0.000) 3.415 3.892 ( -0.013 3.416 0.000) 3.416 4.396 ( -1.776 -2.782 0.000) 3.300 4.396 ( -1.776 2.782 0.000) 3.300 4.632 ( -10.530 -4.319 0.000) 11.382 4.632 ( -10.530 4.319 0.000) 11.382 5.158 ( 9.917 -2.832 0.000) 10.313 5.158 ( 9.917 2.832 0.000) 10.313 5.324 ( 2.268 -1.428 0.000) 2.680 5.324 ( 2.268 1.428 0.000) 2.680 6.003 ( -2.317 -3.013 0.000) 3.801 6.003 ( -2.317 3.013 0.000) 3.801 6.096 ( -3.132 -6.614 0.000) 7.317 6.096 ( -3.132 6.614 0.000) 7.318 7.242 ( 3.989 -2.880 0.000) 4.920 7.242 ( 3.989 2.880 0.000) 4.920 7.328 ( -3.588 -1.569 0.000) 3.916 7.328 ( -3.588 1.569 0.000) 3.916 7.587 ( 2.485 -14.476 0.000) 14.688 7.587 ( 2.485 14.477 0.000) 14.688 7.984 ( 6.280 -5.197 0.000) 8.152 7.984 ( 6.280 5.198 0.000) 8.152 8.256 ( -3.871 -15.413 0.000) 15.892 8.256 ( -3.871 15.413 0.000) 15.892 8.411 ( -1.796 -17.277 0.000) 17.370 8.411 ( -1.796 17.277 0.000) 17.370 9.140 ( 6.540 -4.102 0.000) 7.720 9.140 ( 6.540 4.102 0.000) 7.720 9.438 ( -3.389 -2.779 0.000) 4.383 9.438 ( -3.389 2.780 0.000) 4.384 9.724 ( 10.042 -11.888 0.000) 15.562 9.724 ( 10.042 11.888 0.000) 15.562 9.785 ( 4.794 -12.487 0.000) 13.376 9.785 ( 4.794 12.487 0.000) 13.376 10.002 ( -0.274 -4.157 0.000) 4.166 10.002 ( -0.274 4.157 0.000) 4.166 10.188 ( 0.090 -5.718 0.000) 5.718 10.188 ( 0.090 5.718 0.000) 5.718 10.573 ( -12.200 -1.553 0.000) 12.298 10.573 ( -12.200 1.553 0.000) 12.298 11.096 ( -12.584 -13.632 0.000) 18.552 11.096 ( -12.584 13.632 0.000) 18.552 11.317 ( 4.028 -11.511 0.000) 12.196 11.317 ( 4.028 11.511 0.000) 12.196 11.369 ( 1.169 -9.362 0.000) 9.435 11.369 ( 1.169 9.363 0.000) 9.435 12.378 ( -4.148 -8.891 0.000) 9.811 12.378 ( -4.148 8.891 0.000) 9.811 12.388 ( -1.035 -9.685 0.000) 9.740 12.388 ( -1.036 9.685 0.000) 9.740 12.825 ( 0.734 -1.758 0.000) 1.905 12.825 ( 0.734 1.758 0.000) 1.905 12.940 ( -0.346 -9.681 0.000) 9.688 12.940 ( -0.346 9.682 0.000) 9.688 13.566 ( 3.537 -3.579 0.000) 5.032 13.566 ( 3.537 3.579 0.000) 5.032 13.643 ( 1.069 -10.913 0.000) 10.965 13.643 ( 1.069 10.913 0.000) 10.965 14.893 ( 5.175 -1.879 0.000) 5.506 14.893 ( 5.175 1.880 0.000) 5.506 15.246 ( -3.156 -10.163 0.000) 10.641 15.246 ( -3.156 10.163 0.000) 10.642 16.552 ( -0.080 -2.309 0.000) 2.310 16.552 ( -0.080 2.309 0.000) 2.310 16.553 ( -0.111 -1.994 0.000) 1.997 16.553 ( -0.111 1.995 0.000) 1.998 16.957 ( 3.376 -7.868 0.000) 8.562 16.957 ( 3.376 7.869 0.000) 8.562 17.306 ( -4.837 -6.658 0.000) 8.229 17.306 ( -4.837 6.658 0.000) 8.229 19.220 ( 0.384 -13.377 0.000) 13.382 19.220 ( 0.384 13.377 0.000) 13.382 19.242 ( -0.052 -12.626 0.000) 12.626 19.242 ( -0.052 12.626 0.000) 12.626 22.176 ( 3.730 -2.687 0.000) 4.597 22.176 ( 3.730 2.687 0.000) 4.598 22.520 ( -4.402 -3.282 0.000) 5.491 22.520 ( -4.402 3.282 0.000) 5.491 24.075 ( 2.546 -1.794 0.000) 3.115 24.075 ( 2.546 1.795 0.000) 3.115 24.229 ( -1.180 -1.476 0.000) 1.889 24.229 ( -1.180 1.476 0.000) 1.889 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.952 ( 6.014 -8.032 0.000) 10.034 2.952 ( 6.014 8.033 0.000) 10.034 3.044 ( -3.075 -5.204 0.000) 6.045 3.044 ( -3.075 5.204 0.000) 6.045 3.246 ( 1.572 -7.283 0.000) 7.451 3.246 ( 1.572 7.283 0.000) 7.451 3.284 ( -1.670 -8.017 0.000) 8.189 3.284 ( -1.670 8.017 0.000) 8.189 3.415 ( -0.066 -2.954 0.000) 2.955 3.415 ( -0.066 2.954 0.000) 2.955 3.442 ( -3.089 -2.295 0.000) 3.849 3.442 ( -3.089 2.295 0.000) 3.849 3.796 ( 5.796 -1.282 0.000) 5.936 3.796 ( 5.796 1.283 0.000) 5.936 3.876 ( -2.117 -1.907 0.000) 2.850 3.876 ( -2.117 1.907 0.000) 2.850 4.376 ( 0.584 -1.584 0.000) 1.688 4.376 ( 0.584 1.584 0.000) 1.689 4.449 ( -7.056 -2.239 0.000) 7.402 4.449 ( -7.056 2.239 0.000) 7.402 5.319 ( 5.530 -2.307 0.000) 5.992 5.319 ( 5.530 2.307 0.000) 5.992 5.362 ( 0.713 -1.987 0.000) 2.111 5.362 ( 0.713 1.987 0.000) 2.111 5.974 ( 0.214 -4.338 0.000) 4.344 5.974 ( 0.214 4.338 0.000) 4.344 6.020 ( -3.891 -5.794 0.000) 6.979 6.020 ( -3.891 5.794 0.000) 6.979 7.265 ( -0.646 -3.872 0.000) 3.926 7.265 ( -0.646 3.872 0.000) 3.926 7.270 ( -1.692 -4.078 0.000) 4.415 7.270 ( -1.692 4.078 0.000) 4.415 7.758 ( 13.325 -9.824 0.000) 16.555 7.758 ( 13.325 9.824 0.000) 16.556 8.005 ( -8.483 -7.207 0.000) 11.131 8.005 ( -8.483 7.207 0.000) 11.131 8.228 ( 4.613 -21.572 0.000) 22.060 8.228 ( 4.613 21.572 0.000) 22.060 8.342 ( -5.158 -21.390 0.000) 22.003 8.342 ( -5.158 21.390 0.000) 22.003 9.268 ( 5.852 -2.693 0.000) 6.442 9.268 ( 5.852 2.694 0.000) 6.442 9.365 ( -4.148 -2.585 0.000) 4.888 9.365 ( -4.148 2.585 0.000) 4.888 9.880 ( 4.074 -7.032 0.000) 8.127 9.880 ( 4.074 7.032 0.000) 8.127 9.904 ( 3.742 -6.367 0.000) 7.385 9.904 ( 3.742 6.367 0.000) 7.385 10.052 ( 6.419 -1.073 0.000) 6.508 10.052 ( 6.419 1.073 0.000) 6.508 10.215 ( -3.973 -3.329 0.000) 5.183 10.215 ( -3.973 3.329 0.000) 5.183 10.394 ( 5.454 -5.460 0.000) 7.717 10.394 ( 5.454 5.460 0.000) 7.717 10.746 ( -21.296 -10.704 0.000) 23.835 10.746 ( -21.296 10.704 0.000) 23.835 11.379 ( 1.854 -11.712 0.000) 11.858 11.379 ( 1.854 11.712 0.000) 11.858 11.390 ( 0.526 -11.622 0.000) 11.634 11.390 ( 0.526 11.623 0.000) 11.634 12.329 ( -0.284 -6.361 0.000) 6.368 12.329 ( -0.284 6.362 0.000) 6.368 12.354 ( -2.113 -7.041 0.000) 7.351 12.354 ( -2.113 7.041 0.000) 7.351 12.858 ( 2.595 -5.148 0.000) 5.765 12.858 ( 2.595 5.148 0.000) 5.765 12.912 ( -2.413 -7.930 0.000) 8.289 12.912 ( -2.413 7.931 0.000) 8.289 13.632 ( 2.546 -6.452 0.000) 6.936 13.632 ( 2.546 6.452 0.000) 6.936 13.657 ( -0.019 -9.089 0.000) 9.089 13.657 ( -0.019 9.089 0.000) 9.089 15.021 ( 7.193 -5.133 0.000) 8.836 15.021 ( 7.193 5.133 0.000) 8.837 15.155 ( -5.957 -8.191 0.000) 10.128 15.155 ( -5.957 8.191 0.000) 10.128 16.551 ( -0.051 -2.862 0.000) 2.863 16.551 ( -0.051 2.863 0.000) 2.863 16.551 ( -0.070 -2.763 0.000) 2.764 16.551 ( -0.070 2.763 0.000) 2.764 17.052 ( 6.090 -4.387 0.000) 7.505 17.052 ( 6.090 4.387 0.000) 7.506 17.185 ( -6.979 -1.402 0.000) 7.118 17.185 ( -6.979 1.402 0.000) 7.118 19.229 ( 0.527 -13.388 0.000) 13.398 19.229 ( 0.527 13.388 0.000) 13.398 19.238 ( -0.333 -13.159 0.000) 13.163 19.238 ( -0.333 13.159 0.000) 13.163 22.277 ( 6.214 -3.086 0.000) 6.938 22.277 ( 6.214 3.086 0.000) 6.938 22.407 ( -6.603 -3.271 0.000) 7.369 22.407 ( -6.603 3.271 0.000) 7.369 24.135 ( 3.281 -2.512 0.000) 4.132 24.135 ( 3.281 2.513 0.000) 4.132 24.193 ( -2.464 -2.372 0.000) 3.420 24.193 ( -2.464 2.372 0.000) 3.420 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 0.000 0.000 27.542) 27.542 0.663 ( 0.000 0.000 35.721) 35.721 1.038 ( 0.000 0.000 55.789) 55.789 1.932 ( 0.000 0.000 -22.865) 22.865 2.202 ( 0.000 0.000 -19.656) 19.656 2.365 ( 0.000 0.000 9.721) 9.721 2.442 ( 0.000 0.000 5.854) 5.854 2.527 ( 0.000 0.000 1.045) 1.045 2.755 ( 0.000 0.000 7.909) 7.909 2.764 ( 0.000 0.000 10.165) 10.165 2.923 ( 0.000 0.000 -4.245) 4.245 3.024 ( 0.000 0.000 -4.368) 4.368 3.120 ( 0.000 0.000 -2.247) 2.247 3.158 ( 0.000 0.000 3.214) 3.214 3.261 ( 0.000 0.000 -13.514) 13.514 3.275 ( 0.000 0.000 -0.858) 0.858 3.292 ( 0.000 0.000 4.072) 4.072 3.671 ( 0.000 0.000 -1.844) 1.844 3.673 ( 0.000 0.000 5.681) 5.681 4.122 ( 0.000 0.000 -5.505) 5.505 4.241 ( 0.000 0.000 4.377) 4.377 4.752 ( 0.000 0.000 -7.862) 7.862 4.768 ( 0.000 0.000 2.053) 2.053 4.935 ( 0.000 0.000 0.085) 0.085 4.949 ( 0.000 0.000 -0.313) 0.313 5.152 ( 0.000 0.000 -3.795) 3.795 5.207 ( 0.000 0.000 1.214) 1.214 5.291 ( 0.000 0.000 -0.950) 0.950 5.740 ( 0.000 0.000 0.096) 0.096 5.958 ( 0.000 0.000 -2.526) 2.526 6.578 ( 0.000 0.000 -0.225) 0.225 6.637 ( 0.000 0.000 2.063) 2.063 7.002 ( 0.000 0.000 1.147) 1.147 7.149 ( 0.000 0.000 -1.524) 1.524 7.318 ( 0.000 0.000 1.303) 1.303 7.353 ( 0.000 0.000 -1.438) 1.438 7.658 ( 0.000 0.000 -2.567) 2.567 7.904 ( 0.000 0.000 8.435) 8.435 8.014 ( 0.000 0.000 -16.555) 16.555 8.053 ( 0.000 0.000 1.227) 1.227 8.165 ( 0.000 0.000 -1.605) 1.605 8.370 ( 0.000 0.000 4.408) 4.408 8.400 ( 0.000 0.000 -1.293) 1.293 8.644 ( 0.000 0.000 -6.837) 6.837 8.743 ( 0.000 0.000 3.846) 3.846 8.911 ( 0.000 0.000 1.705) 1.705 9.036 ( 0.000 0.000 -1.880) 1.880 9.218 ( 0.000 0.000 -5.880) 5.880 9.409 ( 0.000 0.000 19.052) 19.052 9.615 ( 0.000 0.000 6.392) 6.392 9.920 ( 0.000 0.000 -2.744) 2.744 10.091 ( 0.000 0.000 -4.483) 4.483 10.254 ( 0.000 0.000 2.767) 2.767 10.447 ( 0.000 0.000 8.624) 8.624 10.500 ( 0.000 0.000 -4.841) 4.841 10.951 ( 0.000 0.000 11.116) 11.116 11.117 ( 0.000 0.000 4.230) 4.230 11.373 ( 0.000 0.000 -17.681) 17.681 11.606 ( 0.000 0.000 -0.928) 0.928 11.687 ( 0.000 0.000 -12.486) 12.486 11.700 ( 0.000 0.000 -2.196) 2.196 11.990 ( 0.000 0.000 -11.509) 11.509 12.140 ( 0.000 0.000 4.120) 4.120 12.238 ( 0.000 0.000 3.127) 3.127 12.411 ( 0.000 0.000 11.001) 11.001 13.286 ( 0.000 0.000 17.116) 17.116 13.395 ( 0.000 0.000 15.577) 15.577 13.506 ( 0.000 0.000 -16.045) 16.045 13.530 ( 0.000 0.000 1.516) 1.516 13.835 ( 0.000 0.000 -18.368) 18.368 14.205 ( 0.000 0.000 -8.908) 8.908 14.246 ( 0.000 0.000 -8.274) 8.274 14.592 ( 0.000 0.000 7.229) 7.229 14.779 ( 0.000 0.000 -5.035) 5.035 15.081 ( 0.000 0.000 6.707) 6.707 15.383 ( 0.000 0.000 1.937) 1.937 15.440 ( 0.000 0.000 -0.249) 0.249 15.644 ( 0.000 0.000 -1.297) 1.297 15.800 ( 0.000 0.000 16.324) 16.324 16.578 ( 0.000 0.000 -6.472) 6.472 17.665 ( 0.000 0.000 16.938) 16.938 18.887 ( 0.000 0.000 -14.267) 14.267 19.180 ( 0.000 0.000 1.487) 1.487 19.185 ( 0.000 0.000 1.471) 1.471 19.292 ( 0.000 0.000 -1.363) 1.363 19.295 ( 0.000 0.000 -1.317) 1.317 20.084 ( 0.000 0.000 4.269) 4.269 20.425 ( 0.000 0.000 -4.580) 4.580 21.111 ( 0.000 0.000 2.578) 2.578 21.404 ( 0.000 0.000 -7.048) 7.048 21.677 ( 0.000 0.000 6.024) 6.024 21.871 ( 0.000 0.000 -1.063) 1.063 23.978 ( 0.000 0.000 5.245) 5.245 24.574 ( 0.000 0.000 -14.516) 14.516 25.208 ( 0.000 0.000 15.275) 15.275 25.878 ( 0.000 0.000 -6.295) 6.295 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 21.337 0.000 18.355) 28.146 0.882 ( 19.253 0.000 25.958) 32.319 1.382 ( 32.243 0.000 39.475) 50.970 1.980 ( 1.822 0.000 -21.317) 21.395 2.121 ( -11.366 0.000 -4.885) 12.371 2.203 ( -10.620 0.000 8.824) 13.808 2.390 ( 0.011 0.000 -6.831) 6.831 2.506 ( -1.974 0.000 0.108) 1.977 2.736 ( -3.385 0.000 11.075) 11.581 2.772 ( -1.783 0.000 -0.620) 1.887 2.871 ( -1.982 0.000 1.665) 2.588 2.899 ( -10.416 0.000 -1.302) 10.497 3.057 ( -3.499 0.000 2.965) 4.586 3.241 ( 4.669 0.000 -0.280) 4.677 3.245 ( 8.147 0.000 -6.323) 10.313 3.303 ( 2.164 0.000 -0.945) 2.361 3.516 ( 6.383 0.000 -5.707) 8.563 3.616 ( -2.540 0.000 5.148) 5.740 3.796 ( 8.840 0.000 -3.659) 9.568 4.078 ( -14.822 0.000 -0.727) 14.840 4.205 ( 4.355 0.000 -0.698) 4.411 4.451 ( -9.577 0.000 4.807) 10.716 4.937 ( 2.833 0.000 -6.789) 7.356 4.963 ( 2.751 0.000 0.211) 2.760 4.986 ( 3.529 0.000 -0.402) 3.552 5.125 ( -2.775 0.000 -3.082) 4.147 5.183 ( -2.341 0.000 1.131) 2.600 5.261 ( -2.934 0.000 -0.883) 3.064 5.826 ( 7.971 0.000 -0.054) 7.971 6.059 ( 6.135 0.000 -5.688) 8.366 6.379 ( -10.707 0.000 9.688) 14.439 6.513 ( -5.752 0.000 1.105) 5.857 7.105 ( 8.706 0.000 0.707) 8.735 7.321 ( 1.810 0.000 -0.650) 1.924 7.403 ( 6.559 0.000 -1.265) 6.680 7.600 ( 17.651 0.000 -4.495) 18.215 7.724 ( 0.304 0.000 -3.365) 3.379 7.924 ( -1.938 0.000 3.582) 4.073 8.065 ( 1.223 0.000 1.028) 1.597 8.085 ( 7.560 0.000 -12.736) 14.810 8.156 ( -0.903 0.000 -1.228) 1.525 8.237 ( 1.747 0.000 -5.295) 5.576 8.525 ( 3.226 0.000 -0.064) 3.226 8.627 ( -1.847 0.000 -9.089) 9.275 8.798 ( 5.262 0.000 3.613) 6.383 8.938 ( 2.373 0.000 1.935) 3.062 9.054 ( 1.875 0.000 -2.150) 2.852 9.200 ( -1.766 0.000 -5.205) 5.496 9.429 ( 3.617 0.000 5.824) 6.855 9.573 ( -3.816 0.000 5.306) 6.536 9.778 ( -11.349 0.000 -0.673) 11.369 9.954 ( -17.419 0.000 -2.137) 17.549 10.120 ( -5.615 0.000 2.713) 6.236 10.441 ( -4.805 0.000 -6.033) 7.713 10.576 ( 10.351 0.000 6.524) 12.235 10.930 ( -1.330 0.000 10.219) 10.305 11.074 ( -4.148 0.000 3.973) 5.744 11.413 ( 3.719 0.000 -16.585) 16.997 11.495 ( -13.359 0.000 -3.859) 13.905 11.663 ( -2.390 0.000 -12.761) 12.983 11.672 ( 5.266 0.000 2.381) 5.779 12.039 ( -0.512 0.000 9.651) 9.665 12.094 ( 1.713 0.000 -2.240) 2.820 12.347 ( 7.629 0.000 6.723) 10.169 12.788 ( 21.710 0.000 -14.848) 26.302 13.297 ( 1.071 0.000 16.952) 16.986 13.385 ( -0.988 0.000 15.708) 15.739 13.388 ( -6.398 0.000 -11.513) 13.171 13.601 ( 3.306 0.000 -2.456) 4.119 13.840 ( -1.906 0.000 -13.362) 13.497 14.209 ( 0.392 0.000 -8.845) 8.854 14.242 ( -0.387 0.000 -8.333) 8.342 14.604 ( -0.856 0.000 8.060) 8.106 14.718 ( -5.465 0.000 5.713) 7.906 15.000 ( 2.138 0.000 10.924) 11.131 15.391 ( -1.968 0.000 -1.117) 2.263 15.420 ( 3.091 0.000 3.412) 4.604 15.659 ( 1.266 0.000 -1.335) 1.840 15.780 ( -1.220 0.000 15.123) 15.172 16.447 ( -13.005 0.000 -4.387) 13.725 17.683 ( 1.738 0.000 17.968) 18.051 18.342 ( -35.386 0.000 41.855) 54.809 19.180 ( 0.037 0.000 1.482) 1.483 19.184 ( -0.057 0.000 1.469) 1.470 19.292 ( 0.038 0.000 -1.355) 1.356 19.294 ( -0.015 0.000 -1.318) 1.318 19.973 ( -3.394 0.000 -2.983) 4.519 20.400 ( -4.031 0.000 -5.368) 6.713 20.747 ( -16.301 0.000 25.282) 30.082 21.103 ( -4.517 0.000 4.078) 6.086 21.386 ( -7.455 0.000 -7.100) 10.295 21.595 ( -15.918 0.000 -1.981) 16.040 24.149 ( 14.742 0.000 5.743) 15.822 24.838 ( -1.841 0.000 -11.525) 11.671 25.699 ( 21.853 0.000 -9.552) 23.850 26.043 ( 11.251 0.000 -15.734) 19.343 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 23.425 0.000 12.296) 26.456 1.320 ( 23.706 0.000 15.393) 28.266 1.690 ( -19.788 0.000 7.560) 21.183 1.775 ( -21.615 0.000 8.086) 23.078 2.096 ( 21.819 0.000 3.044) 22.030 2.227 ( 6.500 0.000 -1.655) 6.708 2.477 ( 7.257 0.000 -13.974) 15.746 2.492 ( 8.054 0.000 0.096) 8.055 2.641 ( -8.760 0.000 -11.696) 14.613 2.665 ( -1.905 0.000 10.501) 10.672 2.783 ( -0.155 0.000 3.904) 3.907 2.908 ( 3.607 0.000 8.032) 8.805 2.984 ( -3.916 0.000 5.894) 7.076 3.202 ( -32.926 0.000 6.784) 33.617 3.313 ( 2.449 0.000 -0.813) 2.580 3.333 ( 0.461 0.000 -0.987) 1.089 3.429 ( 9.321 0.000 -3.636) 10.006 3.588 ( -6.077 0.000 -4.582) 7.611 3.910 ( 4.824 0.000 -8.466) 9.743 3.949 ( 2.849 0.000 0.613) 2.914 4.329 ( 4.254 0.000 -1.269) 4.439 4.364 ( -1.638 0.000 3.353) 3.732 4.946 ( 1.489 0.000 -4.998) 5.215 5.035 ( 4.214 0.000 0.467) 4.239 5.038 ( -5.967 0.000 -2.074) 6.317 5.075 ( 4.894 0.000 -0.658) 4.938 5.121 ( -3.577 0.000 0.966) 3.705 5.182 ( -4.918 0.000 -0.686) 4.966 5.994 ( 7.789 0.000 -0.722) 7.822 6.110 ( -2.858 0.000 -4.042) 4.951 6.288 ( 2.364 0.000 6.374) 6.799 6.391 ( -6.264 0.000 2.632) 6.795 7.277 ( 7.651 0.000 -4.608) 8.931 7.351 ( 0.339 0.000 -2.694) 2.715 7.494 ( 2.420 0.000 1.961) 3.115 7.603 ( -9.124 0.000 -1.261) 9.211 7.886 ( 14.241 0.000 1.170) 14.289 8.019 ( 11.842 0.000 6.782) 13.646 8.097 ( 1.799 0.000 0.454) 1.855 8.131 ( -1.576 0.000 -0.391) 1.624 8.154 ( -10.480 0.000 -0.409) 10.488 8.206 ( -2.523 0.000 -1.541) 2.957 8.552 ( 5.854 0.000 -5.205) 7.834 8.684 ( 0.891 0.000 -10.747) 10.784 8.919 ( 5.755 0.000 2.849) 6.421 8.975 ( 0.328 0.000 1.910) 1.938 9.106 ( 2.959 0.000 -2.041) 3.595 9.157 ( -2.379 0.000 -3.275) 4.048 9.496 ( 1.401 0.000 -6.224) 6.380 9.503 ( -1.665 0.000 2.793) 3.252 9.567 ( -8.293 0.000 0.897) 8.341 9.593 ( -12.864 0.000 -1.943) 13.010 10.103 ( 4.676 0.000 -3.804) 6.028 10.280 ( -10.936 0.000 -9.681) 14.605 10.785 ( 10.092 0.000 4.950) 11.240 10.959 ( -7.458 0.000 4.190) 8.554 10.997 ( 8.744 0.000 8.434) 12.149 11.228 ( -13.401 0.000 0.993) 13.438 11.503 ( 4.963 0.000 -14.925) 15.729 11.596 ( -4.259 0.000 -13.588) 14.240 11.797 ( 7.009 0.000 5.080) 8.656 11.939 ( -6.980 0.000 6.938) 9.841 12.232 ( 8.938 0.000 8.114) 12.072 12.382 ( -4.446 0.000 11.184) 12.036 13.101 ( 11.236 0.000 -17.785) 21.036 13.270 ( -6.468 0.000 -15.012) 16.346 13.325 ( 1.689 0.000 16.540) 16.626 13.359 ( -1.638 0.000 16.066) 16.149 13.669 ( 3.676 0.000 -0.788) 3.760 13.752 ( -5.069 0.000 -1.707) 5.349 14.219 ( 0.632 0.000 -8.683) 8.706 14.232 ( -0.629 0.000 -8.488) 8.511 14.605 ( 3.129 0.000 4.649) 5.604 14.672 ( -2.311 0.000 0.117) 2.314 15.162 ( 10.776 0.000 -1.584) 10.892 15.332 ( -5.456 0.000 -4.181) 6.873 15.511 ( 6.378 0.000 7.927) 10.174 15.640 ( -4.961 0.000 6.156) 7.906 15.836 ( 9.255 0.000 8.668) 12.680 16.120 ( -17.898 0.000 1.917) 18.000 17.740 ( 4.492 0.000 23.171) 23.602 17.894 ( -12.702 0.000 35.088) 37.317 19.181 ( 0.069 0.000 1.473) 1.475 19.182 ( -0.082 0.000 1.468) 1.470 19.293 ( 0.049 0.000 -1.338) 1.339 19.294 ( -0.035 0.000 -1.324) 1.325 20.048 ( 9.016 0.000 -13.309) 16.076 20.253 ( -10.105 0.000 -9.260) 13.706 20.733 ( 7.242 0.000 8.467) 11.142 20.936 ( -11.859 0.000 3.333) 12.318 21.285 ( -0.864 0.000 -4.622) 4.702 21.352 ( -7.640 0.000 -4.621) 8.929 24.457 ( 14.933 0.000 2.921) 15.216 24.707 ( -10.120 0.000 -2.626) 10.455 25.987 ( 10.515 0.000 -4.705) 11.520 26.123 ( -2.591 0.000 -8.923) 9.292 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 0.000 22.659 16.617) 28.099 0.784 ( 0.000 23.674 17.016) 29.155 1.619 ( 0.000 40.607 39.398) 56.578 2.007 ( 0.000 7.562 -21.658) 22.940 2.169 ( 0.000 -1.519 -19.875) 19.933 2.401 ( 0.000 5.503 5.318) 7.653 2.548 ( 0.000 2.176 -0.247) 2.189 2.617 ( 0.000 14.207 7.221) 15.937 2.778 ( 0.000 2.885 10.149) 10.551 2.811 ( 0.000 4.585 8.943) 10.050 3.006 ( 0.000 7.489 -5.150) 9.088 3.077 ( 0.000 5.017 -1.913) 5.369 3.088 ( 0.000 -1.173 -1.155) 1.646 3.233 ( 0.000 7.333 0.941) 7.394 3.286 ( 0.000 -0.146 3.035) 3.039 3.355 ( 0.000 8.778 -7.715) 11.686 3.405 ( 0.000 8.843 2.126) 9.095 3.635 ( 0.000 0.345 3.683) 3.699 3.696 ( 0.000 3.359 -4.901) 5.942 4.073 ( 0.000 -4.668 -3.803) 6.021 4.226 ( 0.000 1.242 2.779) 3.044 4.650 ( 0.000 -3.592 4.189) 5.518 4.739 ( 0.000 0.088 -7.058) 7.059 5.112 ( 0.000 0.826 -5.474) 5.536 5.261 ( 0.000 23.154 1.908) 23.232 5.359 ( 0.000 29.283 -1.324) 29.312 5.455 ( 0.000 23.433 1.553) 23.484 5.579 ( 0.000 26.604 -1.543) 26.648 5.789 ( 0.000 5.333 0.452) 5.352 5.968 ( 0.000 1.165 -1.774) 2.122 6.428 ( 0.000 -5.229 9.569) 10.905 6.551 ( 0.000 -1.725 -0.819) 1.910 7.002 ( 0.000 0.208 1.087) 1.107 7.146 ( 0.000 -0.401 -1.187) 1.253 7.359 ( 0.000 0.409 -0.860) 0.952 7.360 ( 0.000 4.737 -0.153) 4.740 7.573 ( 0.000 1.238 -0.301) 1.274 7.877 ( 0.000 3.968 10.774) 11.482 7.929 ( 0.000 -5.957 -14.121) 15.326 8.276 ( 0.000 5.282 -1.986) 5.643 8.301 ( 0.000 -4.738 2.848) 5.528 8.409 ( 0.000 1.846 1.016) 2.107 8.636 ( 0.000 2.217 -12.245) 12.444 8.648 ( 0.000 22.849 -20.553) 30.732 8.898 ( 0.000 11.572 2.082) 11.758 8.933 ( 0.000 0.024 6.794) 6.794 9.092 ( 0.000 6.035 -2.948) 6.716 9.211 ( 0.000 0.033 -4.089) 4.089 9.409 ( 0.000 1.632 17.094) 17.172 9.555 ( 0.000 -4.959 11.894) 12.886 9.945 ( 0.000 1.460 0.655) 1.600 9.963 ( 0.000 8.412 7.577) 11.322 10.189 ( 0.000 8.872 -2.964) 9.354 10.341 ( 0.000 8.661 -1.275) 8.754 10.894 ( 0.000 -4.230 7.542) 8.647 11.001 ( 0.000 -7.236 1.150) 7.327 11.331 ( 0.000 -4.097 -8.904) 9.801 11.561 ( 0.000 1.356 -6.602) 6.740 11.626 ( 0.000 -1.548 -10.371) 10.486 11.819 ( 0.000 6.293 -0.885) 6.354 11.825 ( 0.000 29.831 -24.726) 38.746 12.107 ( 0.000 6.744 -9.472) 11.627 12.152 ( 0.000 0.994 6.204) 6.283 12.394 ( 0.000 -2.218 11.537) 11.749 12.533 ( 0.000 20.018 -25.185) 32.172 12.980 ( 0.000 -25.180 12.112) 27.942 13.061 ( 0.000 -20.766 10.500) 23.270 13.270 ( 0.000 -23.033 -6.386) 23.901 13.720 ( 0.000 7.132 5.292) 8.881 13.752 ( 0.000 -3.840 -25.370) 25.659 13.913 ( 0.000 -15.325 -15.495) 21.794 14.303 ( 0.000 4.445 -11.882) 12.686 14.598 ( 0.000 -1.819 7.791) 8.000 14.839 ( 0.000 4.906 -5.036) 7.031 15.307 ( 0.000 19.442 7.538) 20.852 15.418 ( 0.000 1.616 6.905) 7.092 15.735 ( 0.000 8.700 -1.470) 8.823 15.748 ( 0.000 10.578 4.166) 11.369 15.833 ( 0.000 10.968 4.932) 12.025 16.542 ( 0.000 -3.565 -6.076) 7.045 17.686 ( 0.000 1.684 12.488) 12.602 18.214 ( 0.000 -42.999 26.831) 50.684 18.415 ( 0.000 -30.356 -5.880) 30.920 18.675 ( 0.000 -41.862 -2.510) 41.937 18.955 ( 0.000 -19.645 6.101) 20.570 19.639 ( 0.000 17.777 -11.755) 21.312 20.517 ( 0.000 -11.036 15.856) 19.318 20.536 ( 0.000 22.568 4.574) 23.026 21.392 ( 0.000 24.064 1.505) 24.111 21.563 ( 0.000 16.085 -4.606) 16.731 21.758 ( 0.000 10.100 5.208) 11.363 22.129 ( 0.000 14.645 -11.959) 18.908 23.968 ( 0.000 1.289 2.623) 2.922 24.511 ( 0.000 -5.921 -13.832) 15.047 25.116 ( 0.000 -9.044 14.231) 16.862 25.656 ( 0.000 -16.023 -0.176) 16.024 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 17.049 16.254 15.202) 28.035 1.027 ( 19.352 17.753 12.294) 28.997 1.825 ( 19.574 34.270 32.347) 51.029 2.020 ( -0.640 4.255 -19.048) 19.528 2.171 ( -8.600 5.480 -7.068) 12.408 2.281 ( -1.510 6.246 -0.729) 6.467 2.469 ( -8.359 8.053 1.885) 11.759 2.539 ( -1.766 3.447 -2.420) 4.567 2.752 ( -3.178 2.593 10.173) 10.969 2.853 ( -0.255 7.162 2.775) 7.684 2.901 ( -8.671 1.988 -1.157) 8.971 2.947 ( -3.173 6.590 0.312) 7.321 3.130 ( -2.898 5.982 2.049) 6.956 3.298 ( 5.066 4.597 0.802) 6.887 3.322 ( 4.741 7.195 -2.881) 9.086 3.340 ( 3.421 4.203 1.884) 5.737 3.540 ( 1.751 2.767 -3.485) 4.782 3.635 ( 2.640 3.350 1.698) 4.591 3.803 ( 7.577 1.689 -6.101) 9.874 4.006 ( -9.546 -4.571 1.401) 10.676 4.223 ( 2.037 2.908 -0.643) 3.608 4.451 ( -10.002 0.939 3.986) 10.808 4.840 ( 4.689 -2.086 -4.532) 6.846 5.079 ( -3.248 -0.281 -5.060) 6.019 5.276 ( 1.683 24.948 1.638) 25.059 5.402 ( 2.842 28.009 -2.214) 28.240 5.454 ( -0.388 25.559 1.388) 25.600 5.561 ( -1.861 27.463 -1.574) 27.571 5.852 ( 6.154 2.834 0.245) 6.780 6.049 ( 5.662 -0.330 -4.016) 6.949 6.352 ( -5.686 -0.302 7.637) 9.526 6.489 ( -5.472 -1.701 0.683) 5.771 7.089 ( 7.581 -1.171 0.860) 7.719 7.261 ( 5.410 -6.325 -2.464) 8.681 7.380 ( 3.145 2.418 2.145) 4.510 7.481 ( 9.985 -4.329 -1.606) 11.001 7.663 ( 7.746 1.780 -1.548) 8.097 7.874 ( 1.246 2.210 7.542) 7.957 7.977 ( 4.054 -4.495 -9.757) 11.482 8.110 ( -8.774 -1.097 1.312) 8.939 8.333 ( 2.259 7.295 -1.790) 7.844 8.437 ( -5.542 -1.993 -1.055) 5.983 8.565 ( 1.520 9.667 -9.247) 13.464 8.780 ( 7.135 15.514 -14.897) 22.661 8.927 ( 2.169 3.767 2.066) 4.813 8.964 ( 2.974 5.754 4.663) 7.981 9.111 ( 1.374 6.388 -1.196) 6.643 9.201 ( -1.076 1.388 -3.549) 3.960 9.352 ( -2.135 -2.618 10.378) 10.914 9.635 ( 5.587 0.845 4.145) 7.008 9.819 ( -12.086 3.147 0.658) 12.507 10.031 ( -3.514 11.538 6.112) 13.521 10.111 ( 1.015 3.769 -3.635) 5.334 10.261 ( -5.950 11.368 0.934) 12.865 10.857 ( -1.621 -4.726 8.362) 9.741 10.983 ( -1.378 -5.310 2.778) 6.149 11.300 ( -5.264 -4.112 -10.934) 12.812 11.381 ( -13.026 6.784 -14.329) 20.519 11.568 ( -7.900 5.101 -4.695) 10.510 11.688 ( -9.714 17.438 -13.515) 24.107 11.830 ( 3.718 7.926 -3.374) 9.382 12.104 ( -3.780 2.261 0.981) 4.513 12.163 ( 6.792 9.535 6.209) 13.251 12.405 ( 7.312 2.594 7.163) 10.559 12.841 ( 14.364 -0.131 -17.781) 22.859 12.982 ( 0.371 -25.039 10.959) 27.334 13.041 ( -1.053 -20.969 9.501) 23.045 13.264 ( -0.770 -22.387 -6.854) 23.426 13.625 ( -4.382 1.268 -1.951) 4.961 13.732 ( -5.548 -6.762 -9.595) 12.983 14.011 ( 8.007 -6.658 -16.586) 19.584 14.291 ( -1.332 3.205 -12.688) 13.154 14.656 ( 4.857 0.224 5.140) 7.075 14.870 ( 0.423 9.895 -1.591) 10.031 15.191 ( -4.844 15.760 14.617) 22.034 15.458 ( 3.489 4.698 6.915) 9.059 15.653 ( -5.998 15.260 1.060) 16.431 15.739 ( 0.391 9.425 -1.009) 9.487 15.808 ( -1.569 4.280 12.961) 13.739 16.415 ( -12.529 -2.970 -4.221) 13.550 17.700 ( 1.315 1.387 13.003) 13.143 18.019 ( -12.462 -20.242 27.194) 36.118 18.520 ( 5.677 -39.394 -3.391) 39.945 18.668 ( -0.661 -41.628 -2.591) 41.714 18.975 ( 2.006 -18.718 6.286) 19.847 19.439 ( -16.549 8.734 6.492) 19.806 20.370 ( -2.725 7.838 -1.395) 8.414 20.661 ( 4.876 9.749 4.765) 11.896 21.259 ( -23.064 37.591 4.667) 44.349 21.360 ( -5.829 23.029 2.594) 23.896 21.538 ( -7.572 16.936 -3.939) 18.965 21.770 ( -16.174 19.823 -4.964) 26.062 24.096 ( 13.567 -4.128 5.663) 15.270 24.747 ( 0.301 -8.554 -11.891) 14.651 25.500 ( 26.154 -19.664 -4.770) 33.067 25.755 ( 8.804 -19.701 -1.733) 21.648 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 21.883 12.820 8.638) 26.792 1.448 ( 21.627 10.268 9.385) 25.715 1.794 ( -20.145 10.277 4.152) 22.993 1.862 ( -17.597 6.607 2.164) 18.921 2.244 ( 11.471 13.124 0.703) 17.445 2.342 ( 3.116 11.086 2.553) 11.795 2.508 ( 10.377 3.599 0.164) 10.985 2.516 ( 3.800 3.132 -14.162) 14.994 2.669 ( -2.960 3.061 3.990) 5.835 2.737 ( -7.265 6.261 1.785) 9.755 2.831 ( 3.371 6.369 2.762) 7.718 2.994 ( 3.292 6.812 8.530) 11.402 3.035 ( -4.300 6.468 4.203) 8.831 3.287 ( -17.633 8.441 5.277) 20.249 3.387 ( 2.258 6.698 -0.094) 7.069 3.423 ( -3.988 7.898 -0.324) 8.853 3.455 ( 7.279 2.742 -1.078) 7.853 3.589 ( -6.581 0.413 -4.018) 7.722 3.895 ( 4.781 0.319 -5.323) 7.162 3.940 ( 1.939 0.349 0.641) 2.072 4.299 ( 3.228 -0.357 -1.887) 3.756 4.340 ( -2.472 -0.679 2.216) 3.388 4.919 ( 3.794 -0.837 -3.946) 5.538 5.000 ( -4.305 -0.748 -3.309) 5.481 5.329 ( 3.486 25.642 1.117) 25.902 5.398 ( -2.968 25.896 0.742) 26.076 5.469 ( 1.881 30.752 -1.798) 30.862 5.513 ( -2.598 29.886 -1.600) 30.041 5.993 ( 7.171 0.172 -0.867) 7.225 6.101 ( -2.260 -0.281 -4.313) 4.877 6.288 ( 1.305 0.117 6.071) 6.211 6.372 ( -5.737 -1.593 2.783) 6.573 7.237 ( 6.191 -3.214 -2.362) 7.365 7.302 ( -0.477 -4.248 -3.373) 5.445 7.464 ( 4.143 -0.491 3.639) 5.536 7.545 ( -3.109 -1.880 1.053) 3.783 7.877 ( 11.586 -1.067 -1.657) 11.752 7.942 ( 3.265 -4.150 0.078) 5.281 7.987 ( 0.717 0.638 2.117) 2.324 8.107 ( 3.161 -2.575 -3.062) 5.099 8.245 ( -8.276 2.238 -1.694) 8.739 8.320 ( -6.039 0.644 -0.476) 6.092 8.696 ( 12.216 13.975 -3.836) 18.953 8.882 ( -1.337 14.453 -6.325) 15.833 8.972 ( 3.496 -1.181 0.794) 3.775 9.017 ( 0.781 6.384 1.525) 6.610 9.148 ( 2.406 4.874 0.326) 5.445 9.182 ( -0.905 2.990 -1.683) 3.548 9.327 ( 0.476 -2.055 1.601) 2.648 9.486 ( -15.745 2.328 -1.097) 15.954 9.762 ( 4.711 10.460 -2.843) 11.819 9.866 ( -7.392 15.931 -2.456) 17.734 10.183 ( 0.905 9.299 -0.882) 9.384 10.205 ( 0.802 1.762 -1.109) 2.231 10.873 ( 2.963 -4.057 2.798) 5.750 11.020 ( -4.156 5.552 -0.405) 6.947 11.027 ( -1.271 2.105 0.528) 2.516 11.235 ( -10.465 -1.539 -1.565) 10.693 11.464 ( 0.689 2.615 -8.267) 8.698 11.541 ( -5.822 1.623 -9.144) 10.961 11.922 ( 5.055 6.034 -1.171) 7.958 12.021 ( -4.813 4.326 0.316) 6.480 12.337 ( 9.460 10.325 10.457) 17.477 12.472 ( -2.402 6.745 10.814) 12.969 12.959 ( 1.063 -19.942 4.533) 20.478 12.979 ( -1.051 -21.614 7.885) 23.031 13.124 ( 7.454 -14.804 -8.016) 18.412 13.230 ( -3.143 -19.250 -8.212) 21.163 13.570 ( -0.992 -4.164 0.253) 4.288 13.607 ( -5.029 -6.722 -0.967) 8.450 14.158 ( 6.217 -2.663 -16.582) 17.908 14.248 ( -3.136 0.414 -14.466) 14.808 14.742 ( 3.343 5.866 2.975) 7.378 14.803 ( -3.833 12.762 6.424) 14.793 15.316 ( 13.082 11.959 -0.990) 17.752 15.534 ( -7.509 15.005 -3.291) 17.099 15.554 ( 6.123 4.593 10.487) 12.983 15.688 ( -6.194 5.885 10.567) 13.589 15.854 ( 7.645 2.521 6.886) 10.594 16.103 ( -16.674 -1.349 2.118) 16.862 17.739 ( 2.899 0.004 15.980) 16.241 17.829 ( -6.701 -4.911 22.247) 23.747 18.604 ( 3.042 -41.075 -3.204) 41.312 18.647 ( -1.524 -41.298 -2.825) 41.423 19.038 ( 4.566 -15.215 7.275) 17.473 19.170 ( -9.616 -6.766 9.783) 15.295 20.455 ( 9.810 13.137 -13.679) 21.353 20.665 ( -7.408 10.550 -9.014) 15.730 21.022 ( -0.218 34.002 7.156) 34.747 21.161 ( -11.427 23.891 4.082) 26.796 21.478 ( 0.718 20.770 -3.238) 21.033 21.549 ( -6.787 20.745 -4.472) 22.281 24.391 ( 14.538 -6.109 3.008) 16.053 24.634 ( -9.708 -6.980 -2.555) 12.227 25.816 ( 8.809 -16.626 -4.440) 19.332 25.889 ( 1.899 -20.654 -4.669) 21.260 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 0.000 27.581 9.350) 29.123 1.355 ( 0.000 31.196 -0.862) 31.208 2.205 ( 0.000 5.943 -18.517) 19.447 2.213 ( 0.000 12.781 -18.321) 22.339 2.429 ( 0.000 38.407 26.171) 46.476 2.576 ( 0.000 12.216 2.315) 12.433 2.620 ( 0.000 5.298 -0.975) 5.387 2.856 ( 0.000 7.956 10.461) 13.143 2.911 ( 0.000 5.616 10.184) 11.630 2.947 ( 0.000 13.088 2.926) 13.411 3.108 ( 0.000 3.404 -0.439) 3.432 3.149 ( 0.000 6.130 -2.095) 6.478 3.238 ( 0.000 10.642 -4.595) 11.591 3.261 ( 0.000 -0.463 7.772) 7.785 3.397 ( 0.000 7.492 1.179) 7.584 3.561 ( 0.000 10.479 -3.540) 11.061 3.592 ( 0.000 9.937 -0.695) 9.961 3.746 ( 0.000 9.260 2.384) 9.562 3.828 ( 0.000 8.802 -8.487) 12.228 4.011 ( 0.000 1.048 5.465) 5.564 4.306 ( 0.000 6.136 -2.333) 6.565 4.629 ( 0.000 1.462 3.454) 3.751 4.769 ( 0.000 2.928 -7.918) 8.442 5.089 ( 0.000 -1.863 -5.161) 5.487 5.716 ( 0.000 14.587 -2.389) 14.781 5.823 ( 0.000 11.574 -3.319) 12.041 5.915 ( 0.000 15.275 5.831) 16.350 6.016 ( 0.000 3.761 2.440) 4.483 6.126 ( 0.000 34.105 0.531) 34.109 6.210 ( 0.000 33.027 -1.932) 33.083 6.483 ( 0.000 11.227 2.706) 11.549 6.601 ( 0.000 9.810 -1.092) 9.871 7.016 ( 0.000 1.547 1.279) 2.007 7.140 ( 0.000 0.377 -1.009) 1.077 7.366 ( 0.000 0.611 0.988) 1.162 7.520 ( 0.000 11.383 -2.872) 11.739 7.671 ( 0.000 8.104 -6.889) 10.637 7.807 ( 0.000 -5.827 -13.394) 14.607 8.012 ( 0.000 9.451 9.262) 13.232 8.250 ( 0.000 0.625 1.281) 1.425 8.278 ( 0.000 -2.749 1.298) 3.040 8.452 ( 0.000 1.766 -2.774) 3.288 8.808 ( 0.000 4.913 -3.287) 5.911 8.887 ( 0.000 4.712 4.493) 6.511 8.952 ( 0.000 3.350 -7.869) 8.552 9.072 ( 0.000 14.560 -5.760) 15.658 9.280 ( 0.000 12.713 -0.889) 12.744 9.340 ( 0.000 12.837 0.689) 12.856 9.529 ( 0.000 10.455 13.433) 17.022 9.587 ( 0.000 7.041 10.209) 12.401 9.979 ( 0.000 2.717 3.005) 4.051 10.283 ( 0.000 19.591 -2.931) 19.809 10.377 ( 0.000 7.651 0.979) 7.714 10.526 ( 0.000 7.436 -0.025) 7.436 10.861 ( 0.000 2.327 -0.908) 2.498 10.936 ( 0.000 3.425 -3.798) 5.114 11.255 ( 0.000 -2.933 1.814) 3.449 11.518 ( 0.000 -4.056 -2.445) 4.736 11.527 ( 0.000 -10.621 -5.827) 12.115 11.940 ( 0.000 4.699 2.749) 5.444 12.124 ( 0.000 0.432 -19.722) 19.727 12.164 ( 0.000 -2.190 14.334) 14.500 12.272 ( 0.000 -10.096 13.456) 16.823 12.294 ( 0.000 10.585 -3.856) 11.266 12.445 ( 0.000 -19.348 -3.335) 19.634 12.520 ( 0.000 -13.362 3.655) 13.853 12.698 ( 0.000 -29.774 0.258) 29.775 12.731 ( 0.000 -10.595 5.320) 11.855 13.699 ( 0.000 -6.680 -31.723) 32.419 13.783 ( 0.000 0.016 4.032) 4.032 13.859 ( 0.000 8.365 -28.326) 29.535 14.346 ( 0.000 -1.836 -13.380) 13.505 14.566 ( 0.000 1.321 2.489) 2.817 14.947 ( 0.000 5.505 -6.684) 8.659 15.400 ( 0.000 -3.675 9.711) 10.383 15.713 ( 0.000 19.024 6.237) 20.020 15.807 ( 0.000 2.155 17.267) 17.401 15.949 ( 0.000 11.657 -2.708) 11.968 16.040 ( 0.000 2.649 6.035) 6.591 16.448 ( 0.000 -5.572 -4.117) 6.928 17.693 ( 0.000 0.473 -2.793) 2.833 17.841 ( 0.000 -2.166 -0.168) 2.172 17.854 ( 0.000 -25.306 -2.012) 25.386 17.901 ( 0.000 -34.077 -2.397) 34.161 18.529 ( 0.000 -20.282 18.317) 27.329 19.851 ( 0.000 3.913 -18.144) 18.561 20.115 ( 0.000 -25.765 27.958) 38.019 20.697 ( 0.000 -4.323 3.383) 5.489 21.939 ( 0.000 28.761 0.306) 28.763 21.972 ( 0.000 21.547 -0.608) 21.555 22.109 ( 0.000 22.987 2.323) 23.104 22.315 ( 0.000 4.724 -3.137) 5.671 24.040 ( 0.000 5.211 -1.026) 5.311 24.369 ( 0.000 -7.466 -11.164) 13.431 24.872 ( 0.000 -14.788 11.654) 18.828 25.299 ( 0.000 -20.008 -1.648) 20.076 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 9.427 23.835 7.211) 26.626 1.494 ( 11.060 26.961 2.213) 29.226 2.155 ( -2.637 9.390 -14.728) 17.665 2.317 ( 2.804 9.058 -14.230) 17.099 2.423 ( -6.531 15.371 3.380) 17.040 2.561 ( 5.310 24.637 13.462) 28.572 2.620 ( 1.425 12.176 2.804) 12.576 2.666 ( -10.383 8.727 4.846) 14.403 2.853 ( -4.457 6.502 5.242) 9.466 2.990 ( -5.585 7.097 -0.294) 9.036 3.030 ( 2.416 10.179 7.609) 12.936 3.112 ( -4.728 9.351 2.117) 10.690 3.243 ( 2.073 5.732 -1.528) 6.284 3.385 ( 5.308 4.653 0.266) 7.063 3.483 ( 5.390 7.906 0.116) 9.569 3.502 ( 1.743 10.648 2.002) 10.974 3.655 ( -0.187 8.488 -2.902) 8.972 3.726 ( -0.514 5.515 2.590) 6.115 3.899 ( 4.338 6.778 -6.534) 10.366 3.985 ( -1.920 4.274 7.534) 8.872 4.324 ( 1.837 6.839 -3.546) 7.919 4.513 ( -8.433 5.726 1.676) 10.330 4.827 ( 4.164 0.619 -5.474) 6.906 5.060 ( -2.769 -1.312 -5.223) 6.056 5.761 ( 3.622 16.314 -0.950) 16.738 5.856 ( 4.136 9.209 -2.771) 10.469 5.975 ( 4.715 12.205 3.251) 13.482 6.037 ( 0.355 12.938 0.431) 12.950 6.125 ( 1.321 25.057 1.190) 25.120 6.217 ( 0.474 34.515 -2.037) 34.578 6.442 ( -4.034 11.105 2.705) 12.120 6.545 ( -5.610 12.333 -0.463) 13.557 7.083 ( 5.993 0.963 1.265) 6.201 7.192 ( 4.171 -0.747 -0.300) 4.248 7.423 ( 5.181 -2.239 0.497) 5.666 7.513 ( 0.183 10.752 -1.650) 10.879 7.736 ( 5.636 4.276 -6.771) 9.793 7.849 ( 3.482 -3.575 -10.941) 12.025 8.018 ( 1.338 8.431 6.765) 10.892 8.136 ( -6.472 4.807 0.766) 8.098 8.315 ( -0.252 -5.108 0.721) 5.165 8.437 ( -2.250 2.775 -3.621) 5.087 8.828 ( 2.742 7.500 -4.491) 9.162 8.881 ( -0.226 1.763 5.054) 5.358 8.999 ( 2.541 3.889 -1.340) 4.835 9.116 ( 4.943 12.297 -7.627) 15.291 9.278 ( -0.019 9.816 0.985) 9.865 9.381 ( -1.846 15.130 3.808) 15.710 9.410 ( -0.990 8.647 6.645) 10.951 9.727 ( 9.070 9.677 5.836) 14.491 9.908 ( -7.569 6.442 2.148) 10.169 10.280 ( -5.727 10.388 -4.870) 12.822 10.335 ( 1.528 13.975 1.419) 14.129 10.531 ( -0.972 12.722 2.114) 12.933 10.775 ( -5.643 -1.423 1.767) 6.082 10.940 ( 1.375 3.193 -2.477) 4.268 11.208 ( -4.742 -2.013 -0.767) 5.209 11.370 ( -9.376 -3.087 -8.058) 12.742 11.546 ( -1.923 -7.482 -0.749) 7.762 11.918 ( -0.729 1.089 -0.891) 1.585 11.966 ( -13.272 5.344 -6.440) 15.690 12.120 ( -5.119 -4.681 6.211) 9.311 12.319 ( 8.280 -8.246 4.258) 12.437 12.395 ( 4.943 5.321 -1.432) 7.403 12.480 ( 2.492 -20.046 6.918) 21.352 12.604 ( 5.401 -18.904 -1.117) 19.692 12.678 ( -0.959 -18.289 3.540) 18.653 12.733 ( 0.784 -15.997 4.557) 16.651 13.607 ( -4.290 -2.044 -14.365) 15.131 13.794 ( -4.175 7.075 -23.833) 25.209 13.939 ( 8.127 -1.862 -13.938) 16.241 14.309 ( -3.522 -1.924 -15.126) 15.649 14.660 ( 8.316 1.622 2.222) 8.759 15.031 ( 6.250 6.299 -4.931) 10.152 15.354 ( -2.996 -0.193 8.854) 9.349 15.678 ( -1.829 15.214 10.389) 18.513 15.791 ( -1.602 3.436 17.385) 17.794 15.936 ( -1.384 9.845 -3.187) 10.440 16.001 ( -2.566 7.687 5.875) 10.009 16.344 ( -10.301 -3.672 -2.343) 11.184 17.694 ( 0.350 -2.625 -1.724) 3.160 17.804 ( -2.525 -6.184 0.653) 6.711 17.879 ( 1.560 -25.068 -3.116) 25.309 17.913 ( 0.727 -28.051 -2.614) 28.182 18.570 ( 4.245 -19.353 18.874) 27.364 19.447 ( -27.710 -7.840 17.356) 33.623 20.275 ( 8.969 -10.390 -6.771) 15.305 20.704 ( -0.642 -6.970 0.813) 7.047 21.843 ( -10.124 24.479 2.394) 26.598 21.904 ( -4.954 29.138 1.620) 29.600 22.024 ( -4.065 27.466 -1.211) 27.792 22.203 ( -8.751 17.299 -4.709) 19.950 24.042 ( 6.841 -0.443 3.990) 7.932 24.539 ( 2.148 -11.272 -10.428) 15.505 25.065 ( 18.799 -21.411 5.409) 29.002 25.360 ( 5.094 -21.122 -1.732) 21.796 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 17.791 15.206 6.412) 24.266 1.749 ( 14.254 20.944 1.545) 25.382 2.011 ( -13.205 9.090 -1.297) 16.084 2.070 ( -17.509 16.138 1.827) 23.882 2.503 ( 0.312 11.086 -3.017) 11.493 2.517 ( 4.403 7.763 -8.084) 12.042 2.599 ( 0.808 5.888 -10.776) 12.306 2.708 ( -4.627 9.967 -3.623) 11.571 2.817 ( 4.243 14.379 11.175) 18.698 2.897 ( -5.116 10.403 3.651) 12.155 3.034 ( 4.556 12.284 6.273) 14.526 3.138 ( -1.739 8.223 7.685) 11.389 3.255 ( 8.299 14.546 1.181) 16.789 3.485 ( 1.611 7.422 1.216) 7.691 3.531 ( -3.096 10.231 5.878) 12.199 3.572 ( 2.617 8.770 0.026) 9.152 3.597 ( -4.071 7.944 0.732) 8.956 3.628 ( -5.901 5.066 -2.356) 8.127 3.950 ( 3.333 4.977 4.141) 7.282 3.996 ( 0.139 5.155 2.020) 5.538 4.363 ( 1.519 6.534 -4.507) 8.082 4.393 ( -2.913 6.842 -1.652) 7.617 4.912 ( 4.275 0.053 -4.699) 6.353 4.992 ( -3.869 -0.244 -4.810) 6.178 5.841 ( 4.793 17.496 0.472) 18.146 5.936 ( -2.501 9.418 0.072) 9.744 6.006 ( 4.562 17.979 -3.310) 18.842 6.076 ( 0.980 8.411 -1.611) 8.620 6.178 ( 3.561 25.602 0.598) 25.855 6.237 ( 1.208 31.712 -1.626) 31.777 6.346 ( -3.812 10.336 3.935) 11.698 6.406 ( -7.184 13.671 1.418) 15.508 7.203 ( 4.967 0.399 0.827) 5.051 7.249 ( 0.576 -0.244 0.468) 0.782 7.516 ( 3.030 -0.257 -0.069) 3.041 7.533 ( 1.114 4.828 0.019) 4.955 7.862 ( 5.494 0.820 -4.832) 7.362 7.902 ( 1.034 -1.255 -5.437) 5.675 8.049 ( 0.698 1.901 -0.999) 2.258 8.079 ( 1.572 3.026 -0.725) 3.486 8.277 ( -1.818 1.330 0.151) 2.257 8.341 ( -6.602 7.565 -0.961) 10.087 8.884 ( 0.933 -3.393 1.707) 3.911 8.893 ( 1.397 1.181 -1.998) 2.710 9.075 ( 7.278 8.470 4.469) 12.028 9.228 ( -2.867 3.234 3.532) 5.582 9.245 ( 2.908 13.120 -2.849) 13.737 9.313 ( -1.165 12.674 0.330) 12.732 9.477 ( 4.602 14.185 -0.230) 14.915 9.656 ( -13.076 13.424 -2.268) 18.876 9.963 ( 11.150 12.179 1.873) 16.618 10.144 ( -7.341 13.476 -1.672) 15.436 10.366 ( 1.231 9.979 -0.293) 10.059 10.438 ( -6.268 12.375 0.832) 13.897 10.773 ( 6.320 -4.957 3.014) 8.579 10.960 ( -7.084 -4.015 -3.958) 9.054 11.115 ( 2.808 6.411 -1.192) 7.100 11.229 ( -5.199 0.940 -8.172) 9.731 11.511 ( 1.157 -1.103 0.332) 1.632 11.666 ( -13.793 5.551 -1.369) 14.931 11.957 ( 3.624 -2.907 -0.289) 4.655 12.039 ( -4.212 -4.678 0.374) 6.306 12.427 ( 3.040 -15.849 2.376) 16.312 12.455 ( 0.428 -12.153 3.330) 12.608 12.552 ( 3.916 -12.175 4.254) 13.478 12.606 ( -1.997 -20.374 2.982) 20.688 12.741 ( 3.629 -11.432 4.745) 12.898 12.763 ( 1.441 -10.461 6.484) 12.392 13.573 ( 1.393 3.148 -12.522) 12.987 13.668 ( -7.264 8.208 -16.735) 20.005 14.096 ( 7.290 -3.836 -16.227) 18.198 14.220 ( -5.370 -3.134 -16.475) 17.609 14.838 ( 8.966 3.844 2.436) 10.055 15.006 ( -7.694 6.532 4.385) 11.004 15.488 ( 15.596 4.591 -5.994) 17.327 15.680 ( 0.813 7.490 11.123) 13.435 15.744 ( -2.613 5.568 16.809) 17.899 15.842 ( -9.658 5.363 2.080) 11.241 15.993 ( 2.266 10.560 3.438) 11.334 16.106 ( -10.399 3.630 4.041) 11.732 17.713 ( 1.604 -5.792 -0.308) 6.018 17.754 ( -2.451 -6.590 0.588) 7.055 17.906 ( 1.102 -25.141 -3.341) 25.386 17.919 ( -0.179 -25.397 -3.085) 25.585 18.704 ( 9.690 -16.611 20.792) 28.322 18.976 ( -18.661 -12.220 23.353) 32.294 20.455 ( 9.547 -7.955 -14.103) 18.797 20.630 ( -7.084 -9.306 -8.274) 14.327 21.708 ( -2.053 30.995 4.121) 31.335 21.763 ( -6.691 31.308 3.901) 32.252 22.004 ( 1.147 27.808 -3.051) 27.999 22.062 ( -4.976 25.669 -4.253) 26.491 24.250 ( 11.865 -7.009 2.857) 14.074 24.456 ( -8.313 -10.113 -2.042) 13.249 25.372 ( 9.540 -25.255 -1.557) 27.041 25.441 ( 1.573 -23.575 -1.925) 23.706 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 0.000 26.631 5.349) 27.163 1.938 ( 0.000 26.974 -3.595) 27.213 2.400 ( 0.000 12.946 -14.748) 19.624 2.479 ( 0.000 13.162 -13.214) 18.650 2.754 ( 0.000 7.975 -0.074) 7.976 2.787 ( 0.000 11.265 -1.319) 11.342 3.008 ( 0.000 8.751 9.971) 13.266 3.035 ( 0.000 6.643 10.094) 12.084 3.071 ( 0.000 1.747 5.371) 5.648 3.147 ( 0.000 17.246 8.678) 19.307 3.260 ( 0.000 22.138 8.625) 23.758 3.276 ( 0.000 6.746 -2.114) 7.069 3.369 ( 0.000 9.760 3.538) 10.381 3.401 ( 0.000 4.537 -4.216) 6.194 3.561 ( 0.000 10.031 2.732) 10.396 3.655 ( 0.000 -1.251 -7.230) 7.338 3.804 ( 0.000 11.239 -0.568) 11.254 3.942 ( 0.000 9.955 2.450) 10.252 4.010 ( 0.000 9.611 -0.144) 9.612 4.161 ( 0.000 11.224 11.947) 16.392 4.458 ( 0.000 9.454 -7.555) 12.102 4.725 ( 0.000 8.453 -1.105) 8.525 4.846 ( 0.000 4.384 -8.332) 9.415 5.050 ( 0.000 -1.758 -4.058) 4.422 5.879 ( 0.000 4.890 -3.141) 5.812 5.885 ( 0.000 -1.637 -2.036) 2.613 6.033 ( 0.000 -1.055 2.615) 2.820 6.099 ( 0.000 3.943 1.420) 4.191 6.730 ( 0.000 16.103 0.174) 16.104 6.778 ( 0.000 25.381 -1.366) 25.418 6.820 ( 0.000 17.086 0.704) 17.101 6.865 ( 0.000 12.449 -0.129) 12.450 7.099 ( 0.000 9.355 2.495) 9.682 7.200 ( 0.000 6.332 -0.731) 6.374 7.415 ( 0.000 5.385 2.976) 6.153 7.635 ( 0.000 -3.897 -6.035) 7.184 7.873 ( 0.000 15.252 -9.919) 18.194 7.883 ( 0.000 13.054 -10.255) 16.600 8.208 ( 0.000 -4.342 8.158) 9.242 8.227 ( 0.000 11.141 6.257) 12.778 8.356 ( 0.000 10.560 0.595) 10.577 8.509 ( 0.000 4.513 -4.350) 6.268 8.764 ( 0.000 2.508 10.838) 11.124 8.990 ( 0.000 3.414 -1.243) 3.633 9.191 ( 0.000 15.874 -4.805) 16.585 9.416 ( 0.000 17.334 -8.163) 19.160 9.576 ( 0.000 15.650 3.169) 15.967 9.679 ( 0.000 21.857 1.876) 21.937 9.776 ( 0.000 12.808 9.101) 15.712 9.777 ( 0.000 11.366 7.239) 13.475 10.077 ( 0.000 7.729 6.314) 9.980 10.470 ( 0.000 4.205 3.462) 5.447 10.649 ( 0.000 8.050 2.523) 8.436 10.668 ( 0.000 19.069 -7.930) 20.652 10.941 ( 0.000 2.883 -7.943) 8.450 11.085 ( 0.000 4.287 -10.076) 10.950 11.106 ( 0.000 -17.599 2.845) 17.828 11.301 ( 0.000 -6.159 -4.576) 7.673 11.400 ( 0.000 -9.880 -1.791) 10.041 11.651 ( 0.000 -34.513 -9.513) 35.800 11.811 ( 0.000 -12.206 10.482) 16.089 12.000 ( 0.000 -24.078 0.203) 24.079 12.067 ( 0.000 0.537 9.774) 9.789 12.309 ( 0.000 7.120 15.173) 16.760 12.400 ( 0.000 7.239 -0.710) 7.273 12.502 ( 0.000 5.521 -0.655) 5.560 12.615 ( 0.000 9.021 -0.234) 9.024 12.638 ( 0.000 2.847 6.785) 7.358 13.547 ( 0.000 -8.580 -28.424) 29.691 13.753 ( 0.000 -2.366 3.310) 4.069 13.988 ( 0.000 3.763 -19.134) 19.500 14.212 ( 0.000 -10.056 -0.210) 10.058 14.693 ( 0.000 9.967 -15.232) 18.203 15.037 ( 0.000 3.062 -7.922) 8.493 15.294 ( 0.000 -6.359 8.575) 10.676 15.823 ( 0.000 -1.733 18.070) 18.153 15.988 ( 0.000 7.517 -5.600) 9.374 16.007 ( 0.000 -2.574 4.821) 5.465 16.141 ( 0.000 5.714 -3.317) 6.607 16.340 ( 0.000 -4.499 -0.080) 4.500 17.366 ( 0.000 -17.867 1.269) 17.912 17.465 ( 0.000 -13.860 3.300) 14.247 17.701 ( 0.000 -10.803 -4.766) 11.808 17.833 ( 0.000 7.007 -16.686) 18.098 18.309 ( 0.000 0.561 22.519) 22.526 19.582 ( 0.000 -26.578 32.762) 42.187 19.832 ( 0.000 -4.793 -20.897) 21.439 20.488 ( 0.000 -14.663 1.564) 14.746 22.310 ( 0.000 11.004 0.009) 11.004 22.325 ( 0.000 -0.191 -0.561) 0.592 22.477 ( 0.000 21.254 0.916) 21.274 22.534 ( 0.000 17.594 -0.570) 17.604 24.146 ( 0.000 4.949 -1.402) 5.144 24.252 ( 0.000 -3.807 -6.328) 7.385 24.565 ( 0.000 -15.233 8.264) 17.330 24.881 ( 0.000 -21.492 -2.030) 21.588 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 2.594 23.986 4.231) 24.494 2.019 ( 6.724 24.939 -1.256) 25.860 2.378 ( -3.835 12.305 -9.576) 16.056 2.520 ( 3.741 11.041 -13.348) 17.722 2.673 ( -11.410 10.191 1.926) 15.419 2.746 ( -1.180 8.796 -1.694) 9.035 2.818 ( -6.020 9.109 2.829) 11.279 2.981 ( -5.207 6.894 3.377) 9.276 3.119 ( -1.180 13.446 4.413) 14.201 3.166 ( 2.074 8.263 6.421) 10.667 3.270 ( -3.261 16.046 4.447) 16.967 3.316 ( 1.935 11.948 4.881) 13.051 3.389 ( 7.504 11.491 1.797) 13.842 3.469 ( 4.185 3.525 -2.131) 5.872 3.620 ( 2.947 6.443 -2.867) 7.643 3.696 ( 7.222 8.356 3.285) 11.522 3.834 ( 0.717 8.841 0.968) 8.923 3.870 ( -5.649 9.181 3.465) 11.323 4.041 ( 1.852 6.989 0.915) 7.288 4.153 ( -0.810 10.771 11.011) 15.424 4.487 ( 2.478 9.582 -7.489) 12.411 4.681 ( -4.090 10.910 -2.149) 11.848 4.869 ( 2.299 3.657 -7.130) 8.336 5.033 ( -1.599 -1.131 -4.878) 5.257 5.897 ( 1.353 -1.043 -1.709) 2.416 5.910 ( 2.389 1.767 -2.501) 3.884 6.066 ( 2.901 -1.109 1.567) 3.478 6.110 ( 0.978 2.414 0.887) 2.751 6.708 ( -3.043 20.576 1.293) 20.839 6.732 ( -4.127 15.347 0.207) 15.893 6.847 ( 4.992 23.672 0.638) 24.201 6.924 ( 3.132 19.101 -1.109) 19.388 7.145 ( 4.632 6.192 1.171) 7.821 7.228 ( 2.774 5.577 -0.671) 6.265 7.417 ( 0.613 3.150 3.016) 4.404 7.694 ( 5.797 -3.220 -5.995) 8.939 7.807 ( -5.523 14.511 -7.582) 17.279 7.933 ( 2.902 10.355 -10.775) 15.224 8.157 ( -3.287 -0.447 7.713) 8.396 8.263 ( -1.864 5.407 4.195) 7.093 8.327 ( 1.906 13.568 1.829) 13.822 8.557 ( 4.595 9.429 -4.370) 11.363 8.814 ( 3.912 3.157 9.332) 10.600 8.954 ( -2.733 3.174 0.502) 4.218 9.272 ( 3.153 17.748 -2.779) 18.239 9.367 ( -1.307 12.002 -5.165) 13.131 9.537 ( -3.718 16.837 3.604) 17.615 9.614 ( -4.726 11.996 3.568) 13.378 9.738 ( 3.106 18.405 1.745) 18.747 9.955 ( 9.215 10.431 4.399) 14.597 10.088 ( 0.064 12.046 6.081) 13.494 10.437 ( -2.182 7.329 1.829) 7.863 10.594 ( -2.902 13.610 -3.857) 14.441 10.703 ( 1.109 8.094 2.745) 8.619 10.815 ( -11.254 2.571 -6.476) 13.236 11.036 ( -0.747 -1.819 -3.279) 3.824 11.205 ( 3.207 -11.145 -5.416) 12.800 11.237 ( -4.207 -1.028 -2.516) 5.009 11.344 ( -4.599 -8.987 -2.362) 10.368 11.608 ( -2.944 -34.329 -8.796) 35.560 11.828 ( 0.582 -11.490 5.607) 12.798 11.977 ( -3.617 -10.216 2.018) 11.024 12.018 ( -2.254 -13.649 6.710) 15.376 12.229 ( -7.058 4.491 12.510) 15.049 12.439 ( 0.741 3.928 1.413) 4.239 12.471 ( -1.180 7.079 -0.619) 7.203 12.626 ( 3.061 2.431 5.098) 6.424 12.717 ( 5.294 6.079 4.771) 9.367 13.556 ( 1.722 -3.127 -19.432) 19.757 13.781 ( 1.960 -5.323 -6.545) 8.661 13.998 ( 0.944 4.470 -17.190) 17.787 14.205 ( -1.566 -8.116 -5.617) 9.994 14.755 ( 6.212 7.714 -10.455) 14.402 15.112 ( 4.224 1.697 -3.362) 5.659 15.301 ( 3.415 -3.828 3.852) 6.415 15.812 ( -0.957 -1.215 17.661) 17.729 15.901 ( -5.275 5.979 3.956) 8.901 16.027 ( -2.900 -1.624 -7.450) 8.158 16.126 ( -0.089 5.427 0.299) 5.436 16.295 ( -3.877 -1.025 1.149) 4.172 17.367 ( 0.148 -17.232 1.626) 17.309 17.444 ( -1.879 -13.425 2.952) 13.874 17.719 ( 1.677 -9.346 -6.276) 11.382 17.828 ( -0.568 5.106 -15.994) 16.799 18.344 ( 3.685 -0.947 24.223) 24.520 19.191 ( -25.827 -15.769 28.684) 41.695 20.047 ( 11.098 -12.126 -14.829) 22.139 20.469 ( -2.417 -15.114 -1.447) 15.374 22.222 ( -3.606 11.978 1.759) 12.632 22.396 ( 2.610 6.777 -2.516) 7.686 22.426 ( -5.836 19.818 1.170) 20.692 22.503 ( -1.677 18.566 -0.707) 18.655 24.079 ( -0.097 3.445 1.800) 3.888 24.336 ( 0.047 -8.708 -5.731) 10.425 24.685 ( 11.925 -16.472 5.002) 20.941 24.927 ( 3.731 -21.772 -1.938) 22.174 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 9.453 16.715 4.695) 19.769 2.176 ( 5.867 19.721 -0.748) 20.589 2.212 ( -8.602 11.712 1.547) 14.614 2.395 ( -11.771 15.738 0.557) 19.661 2.668 ( 6.930 9.323 -10.336) 15.549 2.745 ( 2.337 10.111 -6.131) 12.054 2.759 ( -2.448 12.002 -2.146) 12.436 2.858 ( -7.127 7.042 -4.858) 11.135 3.105 ( 0.132 12.590 3.172) 12.985 3.141 ( -3.747 12.772 1.717) 13.421 3.239 ( 2.724 8.103 3.260) 9.149 3.308 ( -3.361 8.028 0.168) 8.705 3.578 ( 9.132 7.148 1.713) 11.722 3.590 ( 9.216 13.455 8.528) 18.404 3.702 ( 1.364 4.765 2.184) 5.416 3.742 ( -5.827 8.662 0.725) 10.465 3.792 ( -2.269 13.477 6.811) 15.270 3.798 ( -0.655 9.907 1.368) 10.023 4.081 ( 2.466 6.146 5.144) 8.385 4.128 ( -1.889 8.754 8.767) 12.533 4.537 ( 2.436 10.241 -6.529) 12.387 4.594 ( -3.837 12.330 -4.239) 13.592 4.929 ( 3.399 2.140 -6.375) 7.535 4.991 ( -2.691 0.458 -5.974) 6.568 5.931 ( 1.866 -2.487 -1.109) 3.301 5.948 ( 0.710 -1.544 -1.636) 2.359 6.118 ( 1.735 -1.098 0.056) 2.054 6.127 ( 0.508 0.124 -0.101) 0.532 6.647 ( -1.817 18.835 1.992) 19.027 6.659 ( -2.773 16.040 1.509) 16.348 6.942 ( 3.080 31.729 -0.729) 31.886 6.962 ( 0.648 27.582 -1.471) 27.629 7.255 ( 5.231 5.112 1.229) 7.417 7.292 ( 2.080 4.650 0.861) 5.166 7.466 ( 5.758 -1.997 0.853) 6.154 7.646 ( -10.283 4.225 -3.302) 11.597 7.844 ( 8.448 -3.007 -5.355) 10.445 7.965 ( -1.562 5.188 -6.585) 8.527 8.095 ( -1.080 2.968 1.362) 3.439 8.158 ( -5.705 9.718 0.215) 11.271 8.474 ( 10.125 17.093 3.468) 20.167 8.622 ( -1.424 18.532 -1.799) 18.673 8.853 ( 0.328 2.061 5.352) 5.745 8.896 ( -3.044 1.105 2.717) 4.226 9.263 ( 2.989 11.209 3.172) 12.026 9.379 ( -5.587 12.631 1.550) 13.898 9.508 ( 4.218 13.350 -2.322) 14.192 9.579 ( -1.423 12.914 -0.840) 13.019 9.802 ( 5.194 16.478 2.497) 17.456 9.960 ( -8.438 16.156 0.528) 18.235 10.223 ( 13.439 10.319 1.473) 17.008 10.423 ( -1.191 14.383 1.265) 14.488 10.521 ( -5.303 7.080 -4.074) 9.738 10.582 ( -9.367 4.645 -4.096) 11.230 10.764 ( 7.426 5.202 6.579) 11.202 10.962 ( -9.585 3.261 -0.159) 10.125 11.143 ( 0.402 -9.276 -3.287) 9.849 11.200 ( -4.475 -5.791 -4.475) 8.579 11.386 ( 8.031 -12.828 -5.857) 16.228 11.534 ( -5.522 -25.397 -8.764) 27.428 11.831 ( 0.515 -7.983 2.170) 8.288 11.879 ( -4.518 -3.668 3.375) 6.727 12.015 ( 1.570 -17.719 5.882) 18.736 12.088 ( -5.937 -5.416 8.905) 11.995 12.431 ( 0.104 1.520 2.035) 2.542 12.449 ( -1.448 5.480 1.071) 5.768 12.726 ( 5.232 0.737 7.084) 8.837 12.781 ( 0.322 3.079 6.546) 7.241 13.640 ( 6.616 2.346 -13.919) 15.589 13.767 ( -4.425 -0.586 -14.266) 14.948 14.044 ( 4.106 -0.072 -13.706) 14.308 14.139 ( -4.738 -4.588 -11.966) 13.663 14.911 ( 8.694 3.957 -2.795) 9.952 15.069 ( -6.665 0.816 2.755) 7.258 15.524 ( 16.357 -0.733 -6.762) 17.715 15.797 ( -0.300 1.187 15.884) 15.931 15.815 ( -3.840 5.245 4.158) 7.716 15.848 ( -13.076 -3.473 -2.808) 13.818 16.160 ( 2.702 5.211 1.107) 5.973 16.220 ( -3.406 4.203 1.515) 5.618 17.376 ( 0.880 -15.576 2.212) 15.757 17.404 ( -1.897 -13.828 2.553) 14.189 17.761 ( 2.450 -5.137 -10.021) 11.524 17.805 ( -1.794 0.468 -13.825) 13.949 18.467 ( 9.385 -4.979 28.483) 30.400 18.738 ( -18.632 -9.985 31.651) 38.061 20.233 ( 8.368 -13.443 -14.577) 21.523 20.381 ( -6.373 -14.805 -8.820) 18.373 22.201 ( 1.838 17.782 2.859) 18.104 22.290 ( -6.603 20.151 2.426) 21.344 22.435 ( 1.758 12.808 -2.897) 13.249 22.470 ( -1.795 16.807 -1.817) 17.000 24.149 ( 5.927 -2.774 1.936) 6.824 24.269 ( -5.516 -7.958 -0.901) 9.725 24.904 ( 8.041 -20.963 0.085) 22.453 24.978 ( 0.229 -22.225 -1.424) 22.272 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( 0.000 23.117 2.661) 23.269 2.412 ( 0.000 20.775 -2.803) 20.963 2.672 ( 0.000 12.996 -10.814) 16.906 2.698 ( 0.000 8.197 -8.033) 11.477 2.926 ( 0.000 9.211 -0.020) 9.211 2.993 ( 0.000 8.352 -0.257) 8.356 3.049 ( 0.000 1.427 5.934) 6.103 3.154 ( 0.000 4.598 9.827) 10.850 3.186 ( 0.000 5.849 3.989) 7.080 3.319 ( 0.000 8.384 2.682) 8.802 3.399 ( 0.000 4.920 -3.859) 6.253 3.453 ( 0.000 1.380 -4.265) 4.483 3.533 ( 0.000 6.339 0.315) 6.346 3.615 ( 0.000 -0.461 -1.049) 1.146 3.744 ( 0.000 6.990 5.390) 8.827 3.852 ( 0.000 28.461 12.336) 31.019 3.993 ( 0.000 6.540 2.059) 6.857 4.134 ( 0.000 3.730 1.525) 4.029 4.144 ( 0.000 10.512 -0.571) 10.527 4.404 ( 0.000 12.313 10.373) 16.100 4.670 ( 0.000 11.039 -6.997) 13.070 4.911 ( 0.000 1.352 -7.969) 8.083 4.941 ( 0.000 12.153 -6.279) 13.679 5.048 ( 0.000 2.373 -2.744) 3.628 5.827 ( 0.000 -2.565 2.229) 3.398 5.942 ( 0.000 1.691 -0.863) 1.898 6.033 ( 0.000 1.225 -0.187) 1.239 6.146 ( 0.000 1.847 -4.195) 4.584 6.888 ( 0.000 3.528 0.547) 3.571 7.020 ( 0.000 6.154 -1.084) 6.248 7.053 ( 0.000 7.481 -0.965) 7.543 7.077 ( 0.000 8.348 -4.341) 9.409 7.283 ( 0.000 -1.021 2.772) 2.954 7.386 ( 0.000 14.222 5.920) 15.405 7.595 ( 0.000 11.387 0.643) 11.405 7.611 ( 0.000 3.504 1.936) 4.003 8.076 ( 0.000 1.295 7.091) 7.208 8.166 ( 0.000 14.631 -6.089) 15.847 8.173 ( 0.000 3.973 -2.256) 4.569 8.454 ( 0.000 12.557 -2.536) 12.810 8.631 ( 0.000 15.485 0.434) 15.491 8.651 ( 0.000 10.158 -4.695) 11.190 8.985 ( 0.000 17.579 7.821) 19.240 9.078 ( 0.000 4.539 2.274) 5.077 9.445 ( 0.000 9.661 -1.280) 9.746 9.683 ( 0.000 8.436 -7.326) 11.173 9.807 ( 0.000 6.342 7.758) 10.020 9.969 ( 0.000 7.327 4.013) 8.354 9.977 ( 0.000 6.993 0.580) 7.017 10.219 ( 0.000 27.344 -1.054) 27.364 10.277 ( 0.000 9.665 10.939) 14.597 10.550 ( 0.000 -4.355 0.571) 4.392 10.710 ( 0.000 -16.403 -3.602) 16.794 10.802 ( 0.000 -34.958 -8.135) 35.892 10.852 ( 0.000 -0.516 -3.151) 3.193 10.911 ( 0.000 -7.404 -7.148) 10.292 10.974 ( 0.000 11.214 -0.727) 11.238 11.030 ( 0.000 8.857 -6.721) 11.119 11.234 ( 0.000 0.252 -7.873) 7.877 11.396 ( 0.000 5.903 7.058) 9.201 11.724 ( 0.000 1.550 15.133) 15.212 11.826 ( 0.000 2.497 -6.428) 6.896 12.100 ( 0.000 3.218 -1.685) 3.633 12.410 ( 0.000 1.748 8.086) 8.272 12.549 ( 0.000 6.396 2.380) 6.825 12.636 ( 0.000 12.368 18.011) 21.849 12.730 ( 0.000 1.969 -3.847) 4.322 12.893 ( 0.000 17.605 1.846) 17.701 13.366 ( 0.000 -9.452 -19.311) 21.500 13.705 ( 0.000 -2.335 3.027) 3.823 13.952 ( 0.000 -10.503 2.746) 10.856 14.057 ( 0.000 -1.719 -7.705) 7.894 14.902 ( 0.000 9.835 -12.927) 16.243 15.049 ( 0.000 -2.061 -6.100) 6.439 15.174 ( 0.000 -5.105 6.425) 8.206 15.743 ( 0.000 -4.299 2.839) 5.152 15.983 ( 0.000 -7.647 -10.640) 13.103 16.008 ( 0.000 2.160 -2.969) 3.671 16.161 ( 0.000 -0.822 -7.085) 7.132 16.278 ( 0.000 -2.818 -9.893) 10.286 17.210 ( 0.000 0.543 10.479) 10.493 17.323 ( 0.000 -1.123 9.807) 9.872 17.414 ( 0.000 -13.541 14.746) 20.020 17.987 ( 0.000 5.283 -18.639) 19.374 18.452 ( 0.000 11.072 9.198) 14.395 19.122 ( 0.000 -18.114 33.470) 38.058 19.692 ( 0.000 -8.771 -20.725) 22.505 20.164 ( 0.000 -17.284 -0.389) 17.289 22.270 ( 0.000 -4.041 0.891) 4.138 22.399 ( 0.000 -1.098 -2.525) 2.754 22.754 ( 0.000 4.213 0.822) 4.293 22.796 ( 0.000 9.269 -0.335) 9.275 24.206 ( 0.000 -2.488 -1.210) 2.767 24.221 ( 0.000 2.396 -0.794) 2.524 24.318 ( 0.000 -7.833 3.602) 8.621 24.486 ( 0.000 -17.281 -1.411) 17.338 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( -1.749 21.495 2.006) 21.659 2.461 ( 3.886 19.508 -1.102) 19.922 2.587 ( -7.900 7.754 -3.365) 11.570 2.740 ( 3.122 10.602 -10.708) 15.389 2.834 ( -7.905 7.668 3.206) 11.471 2.944 ( -0.025 10.383 0.423) 10.392 3.007 ( -1.290 8.874 -1.965) 9.180 3.133 ( -4.288 7.702 1.971) 9.033 3.290 ( 3.864 5.601 6.306) 9.277 3.313 ( 1.311 7.001 2.653) 7.601 3.401 ( -1.582 4.330 -1.118) 4.744 3.479 ( 1.635 -0.470 -3.749) 4.117 3.524 ( 1.983 8.287 -1.042) 8.584 3.651 ( 2.765 3.075 -3.314) 5.300 3.845 ( 9.647 8.093 7.932) 14.882 3.891 ( 3.013 18.762 10.485) 21.703 3.981 ( -0.993 5.799 6.214) 8.557 4.061 ( -5.437 8.393 0.866) 10.038 4.144 ( -0.913 6.513 1.260) 6.696 4.397 ( -1.583 12.659 9.765) 16.066 4.679 ( 1.407 8.880 -7.348) 11.612 4.910 ( -1.496 9.153 -5.778) 10.927 4.954 ( 2.084 6.146 -7.678) 10.053 5.050 ( 0.156 3.998 -4.100) 5.729 5.833 ( 0.775 -2.839 2.069) 3.597 5.932 ( -0.918 0.142 -0.713) 1.171 6.064 ( 2.403 0.773 -1.064) 2.739 6.136 ( -0.793 0.980 -3.630) 3.842 6.938 ( -1.179 6.514 -0.572) 6.644 6.962 ( -0.654 7.854 1.467) 8.016 7.052 ( 4.096 3.381 1.668) 5.567 7.160 ( 3.359 5.586 2.118) 6.854 7.284 ( 5.794 7.083 -5.515) 10.684 7.488 ( 3.794 13.227 -0.379) 13.766 7.548 ( -1.755 6.923 4.309) 8.341 7.665 ( 4.547 4.292 1.841) 6.518 8.005 ( -4.898 0.513 3.065) 5.800 8.076 ( -8.940 4.541 -0.283) 10.031 8.271 ( 5.478 16.888 -6.971) 19.073 8.456 ( 0.384 12.630 1.454) 12.719 8.627 ( 3.570 14.913 -0.713) 15.351 8.747 ( 6.087 10.140 0.304) 11.831 9.034 ( -2.618 6.797 5.518) 9.138 9.055 ( 4.950 15.502 3.009) 16.549 9.545 ( 7.925 8.294 -3.979) 12.142 9.605 ( -5.228 12.190 -2.849) 13.566 9.825 ( -7.017 9.790 1.278) 12.113 9.870 ( 3.205 10.087 4.106) 11.352 10.049 ( -0.085 5.557 3.677) 6.664 10.096 ( -3.399 12.076 -0.093) 12.546 10.375 ( 2.454 13.266 6.938) 15.170 10.557 ( 1.135 -7.501 -0.167) 7.589 10.712 ( -0.749 -15.595 -4.783) 16.330 10.763 ( -3.212 -17.911 -3.439) 18.519 10.873 ( 1.661 -2.160 -1.885) 3.313 10.901 ( -0.635 -10.265 -8.832) 13.556 10.942 ( -5.057 7.713 -3.864) 10.000 10.997 ( -1.089 5.120 -5.723) 7.756 11.123 ( -6.455 -1.631 -1.188) 6.763 11.371 ( -5.072 8.709 3.008) 10.518 11.728 ( 1.070 0.165 11.839) 11.889 11.854 ( 2.995 3.580 -4.233) 6.302 12.030 ( -6.593 4.031 -2.228) 8.043 12.336 ( -6.549 3.970 5.399) 9.370 12.554 ( -4.085 8.953 14.458) 17.489 12.624 ( 5.732 5.671 3.904) 8.959 12.779 ( -5.609 7.491 0.534) 9.374 12.809 ( 0.813 7.418 1.109) 7.545 13.470 ( 8.215 -5.439 -14.957) 17.910 13.686 ( -0.545 -3.577 0.463) 3.648 14.008 ( 3.688 -8.687 0.808) 9.472 14.059 ( 0.199 -0.759 -8.377) 8.414 14.927 ( 2.572 8.288 -10.253) 13.432 15.104 ( 1.302 -1.831 0.885) 2.415 15.216 ( 7.666 -4.938 -0.003) 9.119 15.757 ( 1.530 -2.764 1.382) 3.448 15.924 ( -6.335 -8.478 -7.641) 13.053 15.976 ( -3.038 2.839 -4.585) 6.190 16.165 ( 0.716 -0.148 -8.009) 8.043 16.266 ( -1.236 -2.454 -9.744) 10.124 17.218 ( 0.834 0.632 10.532) 10.584 17.307 ( -1.338 -1.205 9.888) 10.050 17.459 ( 4.426 -12.503 12.718) 18.376 17.935 ( -5.513 2.393 -15.886) 16.985 18.465 ( 1.405 10.455 10.632) 14.977 18.916 ( -15.666 -9.624 30.441) 35.563 19.802 ( 7.937 -12.428 -17.356) 22.775 20.144 ( -2.340 -17.186 -3.018) 17.606 22.300 ( 3.008 -1.887 1.236) 3.760 22.442 ( 4.017 -0.884 -2.674) 4.906 22.690 ( -5.840 4.939 1.629) 7.820 22.767 ( -2.981 7.550 -0.645) 8.143 24.149 ( -2.403 3.042 0.556) 3.917 24.197 ( -2.009 -5.564 -0.424) 5.931 24.435 ( 7.920 -8.512 1.214) 11.690 24.536 ( 3.900 -16.820 -1.146) 17.304 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 2.243 16.682 3.127) 17.121 2.413 ( -7.976 10.215 2.629) 13.224 2.555 ( 5.540 16.558 -0.546) 17.468 2.675 ( -6.546 12.497 0.015) 14.107 2.852 ( 5.738 8.539 -9.098) 13.734 2.942 ( -1.740 8.663 -4.822) 10.066 2.988 ( 0.103 9.863 -1.394) 9.962 3.035 ( -4.612 11.790 -1.555) 12.754 3.310 ( 0.801 7.216 1.709) 7.458 3.333 ( -1.294 6.107 2.293) 6.651 3.391 ( 1.851 8.018 -0.218) 8.232 3.444 ( -3.157 5.360 -4.880) 7.906 3.645 ( 7.660 3.613 3.887) 9.319 3.728 ( 2.339 1.199 1.762) 3.165 3.871 ( -2.294 7.850 5.295) 9.743 3.923 ( -5.106 7.758 0.180) 9.289 4.022 ( 2.543 12.377 8.251) 15.090 4.048 ( 3.903 11.718 5.497) 13.519 4.147 ( 5.330 2.061 7.048) 9.074 4.311 ( -7.276 7.926 8.064) 13.446 4.741 ( 4.784 10.304 -5.876) 12.790 4.844 ( -4.873 12.171 -4.687) 13.923 5.008 ( 2.678 5.484 -7.773) 9.882 5.045 ( -0.984 5.920 -6.377) 8.757 5.861 ( 2.014 -3.189 1.363) 4.011 5.904 ( -1.993 -2.266 0.104) 3.019 6.103 ( 1.353 -0.545 -2.249) 2.681 6.121 ( -0.697 -0.444 -2.820) 2.939 6.887 ( -1.160 8.082 2.655) 8.586 6.908 ( -3.219 8.946 3.617) 10.173 7.243 ( 8.749 3.167 -2.223) 9.567 7.299 ( 11.387 6.611 1.477) 13.250 7.368 ( -1.761 5.614 -3.937) 7.080 7.447 ( -1.044 8.122 -3.023) 8.729 7.625 ( 4.396 15.379 3.034) 16.280 7.753 ( -0.214 2.092 0.980) 2.320 7.831 ( -6.597 8.855 0.212) 11.045 7.922 ( -6.376 -4.866 6.368) 10.241 8.350 ( 3.606 17.571 -7.750) 19.540 8.424 ( -3.416 15.919 -2.846) 16.529 8.785 ( 8.800 9.259 4.794) 13.644 8.899 ( 8.830 14.278 2.396) 16.957 8.935 ( -4.015 3.243 6.033) 7.940 9.111 ( -5.117 18.547 1.367) 19.288 9.533 ( 4.062 15.504 -0.002) 16.027 9.668 ( -3.733 13.129 -4.217) 14.286 9.747 ( 1.379 10.207 -1.144) 10.363 9.853 ( -6.798 15.777 0.516) 17.187 10.001 ( 8.565 2.453 4.512) 9.987 10.237 ( -2.329 9.402 3.340) 10.246 10.302 ( 4.207 -1.786 -2.308) 5.120 10.547 ( -7.542 -8.292 -3.514) 11.747 10.668 ( -2.371 -4.244 -3.326) 5.890 10.689 ( -2.111 -10.521 -2.786) 11.086 10.842 ( -1.071 -9.369 -7.626) 12.128 10.856 ( -1.951 -10.883 -5.232) 12.232 10.977 ( 6.363 -5.633 -0.154) 8.499 11.025 ( 4.066 8.887 0.210) 9.775 11.051 ( -2.194 0.369 0.490) 2.278 11.199 ( -10.830 10.565 3.393) 15.506 11.772 ( 3.551 1.197 3.878) 5.393 11.878 ( -6.928 2.999 0.695) 7.582 11.967 ( 7.895 5.992 -1.281) 9.994 12.159 ( -10.539 6.625 3.302) 12.879 12.535 ( 2.207 7.892 9.573) 12.602 12.622 ( -6.080 9.829 3.887) 12.194 12.751 ( 4.914 1.907 5.414) 7.556 12.821 ( -1.595 1.734 3.557) 4.267 13.621 ( 6.096 -4.342 -10.495) 12.890 13.686 ( -0.639 -5.007 -5.756) 7.656 14.052 ( 0.909 -4.265 -3.351) 5.499 14.062 ( -0.125 0.108 -7.728) 7.729 14.996 ( 4.069 4.085 -2.984) 6.492 15.071 ( -3.252 -0.147 2.993) 4.422 15.460 ( 14.567 -5.622 -4.155) 16.157 15.734 ( -12.307 -7.634 -5.581) 15.521 15.809 ( 3.609 0.679 -1.590) 4.002 15.896 ( -4.741 3.094 -4.436) 7.193 16.192 ( 1.925 -0.599 -8.950) 9.174 16.233 ( -2.005 -1.604 -9.385) 9.730 17.242 ( 1.563 0.505 10.292) 10.422 17.276 ( -1.751 -0.308 9.921) 10.079 17.586 ( 8.392 -10.156 6.583) 14.728 17.775 ( -9.948 -4.722 -5.162) 12.161 18.516 ( 4.089 8.061 15.468) 17.916 18.649 ( -10.078 1.699 24.070) 26.150 19.949 ( 6.799 -14.803 -14.179) 21.597 20.068 ( -5.177 -16.318 -8.925) 19.306 22.388 ( 5.837 1.763 1.548) 6.291 22.502 ( -2.593 1.884 -1.476) 3.529 22.592 ( 0.902 3.614 1.473) 4.005 22.683 ( -5.222 4.639 -0.979) 7.053 24.133 ( 0.547 0.561 0.728) 1.070 24.158 ( -1.754 -3.320 0.179) 3.759 24.564 ( 4.377 -13.193 0.008) 13.900 24.594 ( 1.209 -15.868 -0.661) 15.927 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 0.000 14.578 -0.739) 14.597 2.737 ( 0.000 7.989 -2.132) 8.269 2.819 ( 0.000 8.660 -2.676) 9.064 2.874 ( 0.000 8.335 -6.264) 10.426 3.050 ( 0.000 2.250 6.750) 7.115 3.101 ( 0.000 7.184 -1.055) 7.261 3.190 ( 0.000 7.282 -2.388) 7.664 3.201 ( 0.000 1.170 8.717) 8.795 3.269 ( 0.000 3.526 1.259) 3.745 3.451 ( 0.000 -0.369 -5.404) 5.416 3.483 ( 0.000 7.249 2.921) 7.815 3.484 ( 0.000 3.882 -1.838) 4.296 3.624 ( 0.000 3.034 0.356) 3.055 3.659 ( 0.000 2.572 0.063) 2.573 3.817 ( 0.000 1.387 9.636) 9.736 4.046 ( 0.000 -0.695 2.274) 2.378 4.221 ( 0.000 5.624 1.591) 5.844 4.332 ( 0.000 8.710 -0.622) 8.732 4.345 ( 0.000 19.979 7.587) 21.371 4.621 ( 0.000 9.548 5.281) 10.911 4.861 ( 0.000 7.555 -4.640) 8.866 4.918 ( 0.000 0.258 -5.806) 5.811 5.129 ( 0.000 4.884 -3.025) 5.745 5.152 ( 0.000 8.235 -6.861) 10.719 5.836 ( 0.000 3.910 3.060) 4.965 5.963 ( 0.000 0.906 0.447) 1.010 6.066 ( 0.000 1.477 -2.035) 2.515 6.179 ( 0.000 1.178 -6.001) 6.116 6.952 ( 0.000 3.854 0.333) 3.869 7.148 ( 0.000 7.090 -1.720) 7.296 7.188 ( 0.000 3.613 -3.281) 4.881 7.192 ( 0.000 6.508 -0.696) 6.546 7.254 ( 0.000 1.417 7.457) 7.591 7.623 ( 0.000 10.360 4.718) 11.384 7.707 ( 0.000 5.316 12.221) 13.328 7.780 ( 0.000 6.113 -2.321) 6.539 8.123 ( 0.000 5.353 7.945) 9.580 8.222 ( 0.000 -0.032 -5.661) 5.661 8.437 ( 0.000 12.307 2.869) 12.637 8.698 ( 0.000 9.261 -11.585) 14.831 8.886 ( 0.000 12.266 -2.542) 12.527 8.922 ( 0.000 12.804 -4.433) 13.550 9.164 ( 0.000 5.356 7.715) 9.392 9.318 ( 0.000 12.477 -2.238) 12.676 9.615 ( 0.000 9.380 3.008) 9.850 9.685 ( 0.000 -13.735 -9.927) 16.947 9.842 ( 0.000 -1.690 8.312) 8.482 9.919 ( 0.000 -17.002 -0.749) 17.019 10.050 ( 0.000 -18.982 -3.551) 19.311 10.056 ( 0.000 0.561 -9.724) 9.741 10.209 ( 0.000 -14.084 -9.130) 16.785 10.274 ( 0.000 -5.205 -0.549) 5.234 10.669 ( 0.000 9.543 11.642) 15.054 10.769 ( 0.000 -0.801 6.298) 6.349 10.837 ( 0.000 4.911 -7.480) 8.948 10.982 ( 0.000 16.624 1.631) 16.703 11.153 ( 0.000 1.500 5.148) 5.362 11.190 ( 0.000 13.124 5.223) 14.125 11.379 ( 0.000 10.423 -6.357) 12.209 11.667 ( 0.000 6.000 6.167) 8.604 11.808 ( 0.000 7.243 9.401) 11.868 11.987 ( 0.000 19.429 -14.898) 24.483 12.206 ( 0.000 7.832 -3.926) 8.761 12.488 ( 0.000 7.396 5.270) 9.081 12.551 ( 0.000 -7.997 -5.989) 9.991 12.759 ( 0.000 3.005 1.076) 3.192 12.917 ( 0.000 13.216 14.281) 19.458 13.184 ( 0.000 -8.576 -4.095) 9.503 13.225 ( 0.000 14.821 3.997) 15.350 13.659 ( 0.000 -2.486 2.993) 3.890 13.725 ( 0.000 -10.717 6.723) 12.651 14.011 ( 0.000 -4.113 -2.728) 4.935 14.975 ( 0.000 -4.434 -1.576) 4.706 15.014 ( 0.000 -0.256 4.761) 4.768 15.117 ( 0.000 0.159 4.202) 4.205 15.737 ( 0.000 4.976 -22.413) 22.959 15.765 ( 0.000 -12.581 -2.749) 12.877 16.076 ( 0.000 4.645 -14.693) 15.410 16.158 ( 0.000 0.571 -20.115) 20.123 16.234 ( 0.000 -1.154 -20.293) 20.325 17.237 ( 0.000 -3.898 26.181) 26.469 17.282 ( 0.000 4.578 16.644) 17.262 17.367 ( 0.000 4.242 14.449) 15.059 17.970 ( 0.000 -7.091 -4.161) 8.222 18.694 ( 0.000 12.659 2.805) 12.966 18.931 ( 0.000 -0.846 19.998) 20.016 19.507 ( 0.000 -9.461 -17.436) 19.838 19.823 ( 0.000 -16.836 -2.186) 16.978 22.188 ( 0.000 -3.798 0.920) 3.907 22.319 ( 0.000 -5.695 -2.813) 6.352 22.722 ( 0.000 -5.959 2.197) 6.351 22.834 ( 0.000 -4.499 -1.001) 4.609 24.119 ( 0.000 -4.301 1.245) 4.478 24.212 ( 0.000 -7.473 -1.316) 7.588 24.254 ( 0.000 -1.653 0.553) 1.743 24.267 ( 0.000 -0.295 0.021) 0.295 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -4.287 7.885 -0.371) 8.982 2.721 ( -4.951 12.720 1.498) 13.732 2.801 ( 1.584 13.883 -1.179) 14.022 2.905 ( 1.172 5.987 -7.087) 9.351 2.990 ( -2.303 7.552 0.980) 7.956 3.129 ( -2.476 5.460 -1.729) 6.240 3.149 ( 0.796 6.646 1.541) 6.868 3.256 ( 0.905 5.098 1.047) 5.282 3.332 ( 6.072 -0.511 4.820) 7.769 3.443 ( -1.961 4.552 -0.300) 4.966 3.452 ( 0.197 0.581 -2.930) 2.994 3.514 ( 1.184 5.533 0.525) 5.683 3.660 ( 3.802 4.462 -0.942) 5.938 3.678 ( 1.881 0.737 0.099) 2.023 3.878 ( 5.185 -1.539 8.877) 10.395 4.028 ( -1.789 -0.204 2.641) 3.197 4.168 ( -3.428 8.300 1.649) 9.130 4.288 ( -3.726 10.723 3.632) 11.919 4.327 ( -1.502 11.990 5.833) 13.418 4.614 ( -5.178 8.301 7.014) 12.039 4.827 ( 3.330 6.998 -7.159) 10.550 5.014 ( 5.457 5.328 -5.361) 9.322 5.128 ( -0.429 7.197 -3.503) 8.016 5.170 ( 1.621 6.859 -6.755) 9.763 5.832 ( -0.184 3.160 2.794) 4.222 5.937 ( -2.377 0.700 0.503) 2.529 6.073 ( 0.448 -0.230 -2.908) 2.951 6.154 ( -2.247 0.519 -5.273) 5.755 7.023 ( 4.741 4.016 -0.078) 6.213 7.091 ( -0.467 5.832 1.843) 6.134 7.150 ( -2.733 6.361 4.144) 8.069 7.247 ( 4.030 4.284 0.774) 5.932 7.393 ( 10.974 4.074 -3.906) 12.341 7.621 ( 1.334 6.192 7.936) 10.154 7.705 ( -4.900 6.616 -6.156) 10.281 7.804 ( 5.508 5.377 10.339) 12.890 8.014 ( -7.470 4.817 8.889) 12.571 8.183 ( -4.524 3.822 -1.818) 6.195 8.589 ( 8.627 13.575 -5.454) 16.984 8.727 ( 3.416 11.986 -4.177) 13.145 8.867 ( 0.036 8.796 -5.349) 10.295 8.972 ( 4.254 10.589 -0.892) 11.446 9.119 ( -3.702 5.831 8.114) 10.656 9.380 ( 4.280 11.958 -2.640) 12.972 9.679 ( 5.991 4.969 -2.172) 8.081 9.703 ( 3.526 -7.487 -6.691) 10.642 9.885 ( -2.486 -10.448 0.109) 10.740 9.938 ( 6.174 0.441 2.347) 6.620 9.990 ( -1.388 -11.124 -5.294) 12.398 10.068 ( 0.546 -14.157 -3.770) 14.661 10.218 ( -1.684 -4.766 -2.015) 5.442 10.269 ( 1.005 -10.876 -4.773) 11.920 10.535 ( -10.328 8.873 2.767) 13.894 10.646 ( -9.911 -1.339 5.970) 11.647 10.804 ( -7.176 -4.374 -0.735) 8.435 11.028 ( 1.314 10.996 -2.212) 11.293 11.104 ( -2.450 6.644 1.542) 7.248 11.216 ( 1.345 14.355 4.691) 15.162 11.342 ( -1.566 12.221 4.183) 13.012 11.638 ( -4.246 9.738 6.431) 12.419 11.827 ( 3.076 9.658 6.543) 12.065 11.972 ( 0.256 11.466 -13.308) 17.568 12.172 ( -5.202 10.512 -8.790) 14.657 12.391 ( -4.253 1.449 -0.195) 4.497 12.669 ( 5.595 0.086 2.626) 6.181 12.719 ( -2.354 4.773 7.905) 9.529 12.888 ( -3.260 8.871 6.978) 11.748 12.992 ( -8.600 4.477 2.913) 10.124 13.410 ( 8.747 1.738 -0.388) 8.927 13.623 ( -1.155 -3.290 2.472) 4.274 13.828 ( 7.053 -8.179 4.521) 11.708 14.021 ( 0.642 -4.180 -2.620) 4.975 15.021 ( 0.703 -0.186 5.049) 5.102 15.066 ( 6.241 -2.682 -0.772) 6.837 15.119 ( 2.382 -2.604 4.061) 5.380 15.710 ( -5.441 -11.753 -2.930) 13.279 15.772 ( 3.358 5.029 -21.964) 22.781 16.048 ( -2.835 4.624 -16.087) 16.977 16.165 ( 0.761 0.557 -19.951) 19.973 16.229 ( -0.523 -0.740 -20.035) 20.055 17.273 ( 3.212 -3.108 23.055) 23.484 17.290 ( 0.976 4.136 17.331) 17.844 17.366 ( 0.154 3.455 15.276) 15.663 17.875 ( -9.242 -7.576 1.032) 11.995 18.700 ( 0.628 12.476 3.399) 12.946 18.864 ( -5.245 3.860 15.817) 17.105 19.564 ( 4.764 -11.428 -15.366) 19.734 19.806 ( -1.818 -16.573 -4.020) 17.150 22.231 ( 4.226 -3.935 1.099) 5.878 22.367 ( 4.568 -5.676 -2.902) 7.842 22.665 ( -5.319 -5.586 2.553) 8.125 22.786 ( -4.660 -4.870 -1.028) 6.819 24.111 ( -0.157 -3.057 1.051) 3.236 24.185 ( -2.159 0.067 -0.882) 2.334 24.285 ( 3.764 -8.148 0.688) 9.001 24.325 ( 3.225 -3.613 -0.373) 4.857 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -0.941 10.169 2.037) 10.413 2.630 ( -3.504 14.030 2.204) 14.628 2.842 ( 2.378 12.566 -0.771) 12.813 2.890 ( -2.263 9.067 -2.184) 9.597 2.996 ( 2.432 5.931 -4.572) 7.874 3.059 ( -3.701 3.880 -3.798) 6.571 3.187 ( 2.712 8.928 -0.009) 9.331 3.242 ( -2.248 8.200 -0.762) 8.537 3.398 ( 0.845 1.015 0.855) 1.573 3.413 ( -0.969 3.724 0.585) 3.892 3.487 ( 2.733 -0.588 0.465) 2.834 3.522 ( -0.660 3.721 0.678) 3.840 3.732 ( 3.593 3.170 1.219) 4.944 3.752 ( 3.353 2.885 0.428) 4.444 3.923 ( -0.320 -2.569 1.307) 2.900 3.979 ( -4.204 -1.241 0.981) 4.491 4.199 ( 8.489 7.744 6.618) 13.260 4.250 ( 0.459 8.480 6.251) 10.544 4.284 ( -2.407 9.235 6.577) 11.590 4.427 ( -11.837 4.546 6.817) 14.396 4.955 ( 7.217 11.087 -5.029) 14.153 5.063 ( -2.718 9.760 -4.798) 11.210 5.140 ( 3.215 7.203 -5.802) 9.792 5.188 ( -0.677 7.018 -7.162) 10.050 5.839 ( 1.124 1.273 2.164) 2.751 5.881 ( -2.932 0.197 1.000) 3.105 6.083 ( 0.700 -1.665 -3.525) 3.961 6.108 ( -1.970 -0.983 -4.035) 4.597 7.024 ( -0.176 6.763 3.979) 7.848 7.057 ( -3.420 6.849 4.933) 9.107 7.268 ( 10.124 0.813 -2.933) 10.571 7.364 ( 3.621 0.924 -0.214) 3.744 7.527 ( 1.796 8.185 -2.321) 8.695 7.600 ( -1.711 9.055 -3.328) 9.797 7.731 ( 5.733 3.466 6.568) 9.382 7.850 ( -4.756 -0.418 10.948) 11.943 7.918 ( 2.942 9.136 4.052) 10.418 8.050 ( -7.953 8.653 1.266) 11.821 8.679 ( 3.147 12.870 -11.687) 17.667 8.747 ( -2.808 15.054 -7.284) 16.957 8.916 ( 3.628 5.142 6.557) 9.088 8.994 ( -4.067 4.183 8.264) 10.116 9.189 ( 12.321 10.940 -2.819) 16.717 9.386 ( -5.298 7.116 -4.058) 9.756 9.800 ( 2.132 -5.872 -6.087) 8.723 9.814 ( 6.025 7.789 -4.285) 10.740 9.883 ( -0.689 1.018 -6.240) 6.360 9.947 ( 9.716 -6.875 1.522) 11.999 10.067 ( -4.562 -8.206 -2.576) 9.736 10.093 ( 4.116 -9.923 3.703) 11.363 10.180 ( -5.794 2.876 3.903) 7.555 10.306 ( 4.495 -2.316 -1.015) 5.157 10.349 ( -6.270 -4.571 -0.802) 7.800 10.461 ( -4.626 -7.244 -4.474) 9.690 10.655 ( -2.684 -8.480 -4.613) 10.019 10.833 ( -15.994 1.148 -7.494) 17.700 11.153 ( 5.034 8.527 7.467) 12.402 11.235 ( -2.290 6.003 11.601) 13.261 11.383 ( 5.989 20.787 6.952) 22.722 11.518 ( -6.980 16.998 5.288) 19.121 11.906 ( 4.605 12.861 0.132) 13.661 12.018 ( -4.694 9.372 -5.909) 12.033 12.074 ( 5.974 5.423 -11.655) 14.175 12.263 ( -9.570 3.588 -5.453) 11.585 12.692 ( 2.316 6.346 12.185) 13.932 12.766 ( -2.183 4.172 6.193) 7.780 12.812 ( 1.404 4.976 5.377) 7.460 12.884 ( -3.813 4.615 4.843) 7.700 13.545 ( 4.884 -1.476 -0.878) 5.177 13.605 ( -1.467 -2.804 0.058) 3.165 13.954 ( 5.138 -5.933 1.318) 7.958 14.018 ( -1.382 -4.641 -1.464) 5.059 15.041 ( 1.372 -0.006 5.693) 5.856 15.071 ( -1.502 0.386 5.320) 5.541 15.318 ( 12.630 -8.013 -1.301) 15.014 15.551 ( -10.380 -10.254 -2.042) 14.733 15.863 ( 5.430 5.455 -21.410) 22.751 15.969 ( -4.982 5.002 -18.933) 20.206 16.186 ( 1.316 0.341 -19.806) 19.853 16.212 ( -1.182 -0.100 -19.825) 19.860 17.305 ( 1.046 4.052 15.272) 15.835 17.321 ( -0.131 3.284 15.725) 16.065 17.434 ( 8.201 -4.137 19.703) 21.739 17.648 ( -12.433 -6.805 11.874) 18.490 18.722 ( 1.718 11.713 5.351) 12.992 18.773 ( -3.606 9.393 9.420) 13.783 19.663 ( 4.923 -13.778 -12.129) 19.005 19.750 ( -3.790 -15.508 -8.105) 17.904 22.345 ( 6.981 -4.186 1.057) 8.208 22.455 ( 0.267 -4.993 -2.610) 5.640 22.563 ( -0.902 -5.511 2.707) 6.206 22.666 ( -7.024 -5.525 -0.808) 8.973 24.121 ( 1.066 -0.927 0.560) 1.520 24.148 ( -1.631 0.589 -0.109) 1.738 24.353 ( 2.469 -8.897 0.197) 9.236 24.369 ( 0.888 -7.145 -0.193) 7.202 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 0.000 -0.063 0.256) 0.263 2.830 ( 0.000 -1.565 -3.550) 3.880 3.045 ( 0.000 10.193 -1.168) 10.260 3.075 ( 0.000 8.096 3.241) 8.721 3.103 ( 0.000 2.645 3.328) 4.251 3.183 ( 0.000 3.444 -0.970) 3.578 3.239 ( 0.000 0.707 -0.788) 1.059 3.261 ( 0.000 0.904 -2.602) 2.754 3.373 ( 0.000 6.306 2.068) 6.637 3.460 ( 0.000 2.208 -2.833) 3.592 3.564 ( 0.000 3.464 0.329) 3.480 3.579 ( 0.000 1.930 1.609) 2.512 3.637 ( 0.000 -4.099 3.510) 5.397 3.656 ( 0.000 0.206 1.124) 1.142 3.859 ( 0.000 2.787 5.227) 5.924 3.988 ( 0.000 -4.229 1.245) 4.408 4.342 ( 0.000 5.928 1.939) 6.237 4.436 ( 0.000 2.483 0.417) 2.517 4.679 ( 0.000 12.882 5.266) 13.917 4.780 ( 0.000 6.288 3.451) 7.172 4.928 ( 0.000 0.439 -5.046) 5.066 4.952 ( 0.000 1.392 -4.972) 5.163 5.220 ( 0.000 3.992 -2.946) 4.962 5.260 ( 0.000 2.837 -4.310) 5.160 5.961 ( 0.000 7.599 0.309) 7.605 5.989 ( 0.000 1.799 0.553) 1.882 6.070 ( 0.000 -1.191 -1.643) 2.029 6.176 ( 0.000 -1.852 -4.920) 5.258 7.061 ( 0.000 6.845 1.147) 6.940 7.225 ( 0.000 0.059 -1.811) 1.812 7.291 ( 0.000 6.431 -0.390) 6.443 7.320 ( 0.000 6.092 0.278) 6.098 7.365 ( 0.000 9.433 6.940) 11.711 7.795 ( 0.000 2.589 -1.437) 2.961 7.823 ( 0.000 1.795 1.105) 2.108 7.845 ( 0.000 8.698 12.640) 15.344 8.184 ( 0.000 -1.574 -5.693) 5.907 8.277 ( 0.000 8.455 5.109) 9.878 8.600 ( 0.000 0.865 7.033) 7.086 8.655 ( 0.000 -14.297 -4.453) 14.975 9.074 ( 0.000 5.092 2.087) 5.503 9.075 ( 0.000 -1.695 -9.730) 9.876 9.297 ( 0.000 6.374 -2.275) 6.768 9.434 ( 0.000 6.361 4.144) 7.592 9.454 ( 0.000 2.947 -7.013) 7.607 9.553 ( 0.000 -9.739 -4.550) 10.749 9.751 ( 0.000 -1.879 -0.878) 2.074 9.805 ( 0.000 0.189 -0.510) 0.544 9.928 ( 0.000 -12.195 -7.858) 14.508 9.989 ( 0.000 0.261 -3.233) 3.243 10.033 ( 0.000 0.167 -12.414) 12.415 10.188 ( 0.000 -6.094 -10.275) 11.946 10.804 ( 0.000 3.618 6.949) 7.835 10.815 ( 0.000 -0.452 6.240) 6.256 10.939 ( 0.000 15.719 12.291) 19.953 11.189 ( 0.000 4.224 8.504) 9.495 11.242 ( 0.000 6.942 -1.175) 7.041 11.450 ( 0.000 -1.270 4.940) 5.101 11.470 ( 0.000 7.648 9.687) 12.342 11.577 ( 0.000 -10.587 -0.544) 10.600 12.004 ( 0.000 10.595 -5.732) 12.046 12.334 ( 0.000 -10.369 -13.876) 17.322 12.422 ( 0.000 13.439 7.231) 15.261 12.438 ( 0.000 18.953 -9.512) 21.206 12.648 ( 0.000 6.137 -2.198) 6.519 12.806 ( 0.000 0.476 7.290) 7.306 13.042 ( 0.000 -4.853 8.276) 9.594 13.089 ( 0.000 3.445 7.513) 8.265 13.468 ( 0.000 9.797 5.582) 11.275 13.565 ( 0.000 -4.639 4.360) 6.366 13.607 ( 0.000 -2.189 3.552) 4.172 13.885 ( 0.000 -8.489 2.175) 8.764 14.905 ( 0.000 -2.206 2.963) 3.694 14.948 ( 0.000 -4.284 8.494) 9.513 15.164 ( 0.000 4.648 6.175) 7.729 15.520 ( 0.000 -11.786 0.749) 11.809 15.912 ( 0.000 10.631 -33.704) 35.341 16.164 ( 0.000 -1.016 -27.996) 28.015 16.178 ( 0.000 4.888 -23.405) 23.910 16.235 ( 0.000 1.046 -25.341) 25.362 17.238 ( 0.000 2.916 28.240) 28.390 17.340 ( 0.000 0.663 20.731) 20.741 17.463 ( 0.000 5.411 17.255) 18.084 17.775 ( 0.000 -10.649 11.810) 15.903 18.937 ( 0.000 11.589 -0.792) 11.616 19.028 ( 0.000 8.813 4.440) 9.868 19.326 ( 0.000 -8.801 -11.688) 14.631 19.508 ( 0.000 -14.819 -2.975) 15.115 22.134 ( 0.000 -1.398 0.700) 1.564 22.209 ( 0.000 -4.851 -1.299) 5.021 22.594 ( 0.000 -5.212 1.400) 5.396 22.685 ( 0.000 -8.511 -1.004) 8.570 24.059 ( 0.000 -1.769 0.568) 1.858 24.094 ( 0.000 -3.862 -0.304) 3.874 24.243 ( 0.000 -0.418 0.326) 0.530 24.257 ( 0.000 -0.809 -0.030) 0.810 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( -0.102 3.715 0.965) 3.839 2.897 ( 4.226 -0.613 -4.629) 6.298 2.995 ( -4.216 8.542 0.257) 9.530 3.059 ( 0.076 8.827 0.142) 8.828 3.134 ( 0.572 5.945 1.730) 6.218 3.153 ( -2.957 1.222 -0.487) 3.236 3.243 ( 3.037 1.082 -1.166) 3.429 3.327 ( 4.010 -0.587 0.623) 4.100 3.359 ( -0.459 5.423 1.815) 5.737 3.436 ( -2.193 1.233 -3.196) 4.068 3.536 ( -3.015 1.464 1.258) 3.580 3.579 ( -1.400 -0.382 1.681) 2.221 3.662 ( 4.412 -0.115 2.516) 5.081 3.710 ( 4.197 0.074 0.100) 4.199 3.872 ( 0.932 1.336 4.630) 4.908 3.977 ( -1.305 -3.857 1.106) 4.219 4.319 ( -1.352 6.577 2.209) 7.069 4.407 ( -2.411 2.918 0.974) 3.909 4.554 ( -7.240 9.084 6.318) 13.224 4.706 ( -9.762 1.414 4.774) 10.958 4.982 ( 9.290 7.790 -5.980) 13.519 5.102 ( 7.870 2.560 -4.635) 9.485 5.241 ( 1.560 4.433 -3.115) 5.638 5.274 ( 1.283 3.262 -5.040) 6.139 5.940 ( -1.906 6.316 0.271) 6.602 5.964 ( -2.367 2.258 0.835) 3.376 6.049 ( -1.552 -2.107 -2.017) 3.304 6.142 ( -3.046 -1.940 -4.554) 5.812 7.129 ( 5.381 5.684 -0.480) 7.841 7.193 ( -1.058 3.593 -1.034) 3.886 7.288 ( -3.860 8.101 5.166) 10.354 7.339 ( 2.016 4.641 2.720) 5.745 7.460 ( 10.829 3.104 3.075) 11.677 7.719 ( -3.596 -1.079 -4.479) 5.844 7.837 ( 3.287 10.369 4.438) 11.748 7.912 ( 2.395 7.248 7.137) 10.450 8.152 ( -5.573 4.978 1.937) 7.719 8.235 ( -1.030 4.453 4.886) 6.690 8.650 ( 0.162 -13.833 -4.302) 14.488 8.739 ( 7.564 -9.853 2.024) 12.586 9.022 ( -0.438 7.235 -3.605) 8.095 9.147 ( 4.001 4.971 -2.544) 6.869 9.256 ( -3.421 7.717 -1.067) 8.508 9.437 ( -0.282 -2.521 -5.492) 6.050 9.518 ( 4.333 2.592 0.437) 5.068 9.600 ( 6.007 -3.267 -7.026) 9.805 9.806 ( 1.752 -8.516 -8.039) 11.841 9.821 ( 3.402 2.100 -1.226) 4.182 9.957 ( 5.984 -0.244 0.218) 5.993 10.006 ( 1.500 -5.404 -11.505) 12.799 10.061 ( 3.440 -1.667 -4.407) 5.834 10.184 ( 0.189 -3.846 -6.940) 7.936 10.646 ( -12.520 1.970 5.623) 13.866 10.698 ( -10.444 1.465 6.136) 12.202 10.846 ( -11.749 12.461 10.401) 20.038 11.133 ( -8.125 3.430 -2.901) 9.285 11.248 ( 0.669 6.063 2.384) 6.549 11.357 ( -3.932 1.483 12.157) 12.863 11.551 ( 4.184 3.882 11.360) 12.713 11.615 ( 3.175 -7.980 1.039) 8.651 12.035 ( 3.588 10.240 -6.507) 12.652 12.271 ( -4.757 -3.573 -13.660) 14.900 12.274 ( -7.049 13.414 -0.068) 15.153 12.518 ( -1.414 13.295 -8.665) 15.932 12.686 ( 3.516 1.016 6.938) 7.844 12.808 ( 1.931 4.719 6.562) 8.310 12.980 ( -4.475 0.715 9.203) 10.258 13.060 ( -3.017 3.346 5.994) 7.499 13.519 ( 3.600 7.200 5.344) 9.663 13.568 ( 0.940 -1.258 4.020) 4.316 13.688 ( 6.504 -6.080 2.948) 9.379 13.891 ( 0.315 -8.672 2.009) 8.907 14.970 ( 2.395 -3.102 8.018) 8.925 14.986 ( 7.324 -3.575 2.737) 8.597 15.146 ( -1.796 4.116 6.333) 7.764 15.477 ( -4.335 -11.182 0.836) 12.023 15.940 ( 2.720 9.933 -32.851) 34.428 16.148 ( -2.058 4.063 -25.286) 25.693 16.176 ( 0.499 0.447 -26.860) 26.868 16.232 ( -0.420 0.679 -25.677) 25.689 17.268 ( 3.082 2.337 27.217) 27.490 17.349 ( 0.896 0.948 20.330) 20.372 17.450 ( -1.204 4.622 17.565) 18.202 17.701 ( -7.012 -8.711 14.253) 18.116 18.942 ( 0.504 11.695 -0.607) 11.722 19.012 ( -1.401 9.871 3.149) 10.455 19.353 ( 2.450 -9.928 -10.563) 14.702 19.496 ( -1.166 -14.530 -3.924) 15.096 22.172 ( 3.751 -1.598 0.783) 4.152 22.253 ( 4.242 -5.209 -1.430) 6.868 22.545 ( -4.682 -4.876 1.530) 6.931 22.637 ( -4.629 -8.301 -0.957) 9.552 24.072 ( 1.490 -0.920 0.725) 1.895 24.130 ( 2.821 -3.860 -0.917) 4.868 24.222 ( -1.336 -0.278 1.040) 1.716 24.267 ( 0.287 -2.399 -0.293) 2.434 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 3.954 8.475 1.024) 9.408 2.881 ( -5.265 10.379 0.369) 11.644 2.993 ( 3.483 0.766 -5.327) 6.411 3.051 ( -1.803 5.821 -2.531) 6.598 3.110 ( -0.528 4.325 -0.364) 4.372 3.124 ( -1.182 7.280 1.200) 7.473 3.314 ( 3.307 2.983 -0.292) 4.463 3.363 ( -0.169 4.284 0.594) 4.329 3.383 ( 0.464 -1.527 -0.369) 1.638 3.420 ( 1.507 -3.257 0.442) 3.616 3.472 ( -1.547 -0.560 1.984) 2.578 3.526 ( -3.623 -2.716 2.410) 5.129 3.769 ( 5.441 1.533 0.353) 5.664 3.808 ( 4.824 0.702 -0.818) 4.943 3.866 ( -1.589 -0.984 1.333) 2.296 3.925 ( -4.151 -3.064 0.116) 5.160 4.342 ( 4.557 5.889 5.299) 9.140 4.380 ( 0.506 4.356 3.951) 5.903 4.435 ( -4.597 5.923 6.889) 10.182 4.503 ( -9.975 2.644 6.096) 11.986 5.152 ( 6.896 8.036 -5.549) 11.955 5.220 ( 1.897 5.618 -5.269) 7.932 5.260 ( 1.456 4.494 -4.692) 6.658 5.294 ( -0.073 3.478 -6.368) 7.256 5.903 ( -1.205 4.133 0.766) 4.372 5.912 ( -2.144 3.254 1.020) 4.029 6.036 ( 0.661 -2.969 -2.403) 3.877 6.076 ( -3.140 -2.467 -3.375) 5.228 7.161 ( 0.133 6.163 1.670) 6.386 7.189 ( -2.633 6.342 3.928) 7.911 7.279 ( 4.684 0.258 -2.037) 5.114 7.356 ( -2.200 -1.247 1.867) 3.143 7.656 ( 9.447 5.946 3.879) 11.817 7.767 ( 3.017 6.697 -3.790) 8.265 7.910 ( 4.069 13.811 7.339) 16.161 7.931 ( 1.067 5.878 4.951) 7.759 8.042 ( -3.274 5.513 4.593) 7.887 8.148 ( -8.309 2.391 3.793) 9.441 8.674 ( 3.084 -15.116 -2.596) 15.644 8.758 ( -4.073 -16.048 -3.219) 16.867 9.092 ( 5.230 12.193 -1.210) 13.322 9.175 ( -3.212 11.850 -1.356) 12.352 9.256 ( 5.531 0.270 -2.180) 5.951 9.371 ( -5.356 -3.630 -3.794) 7.501 9.634 ( 5.268 -0.865 -7.427) 9.147 9.687 ( 0.498 -2.506 -10.322) 10.634 9.852 ( 4.560 -6.469 -9.482) 12.351 9.926 ( -0.882 -6.271 -7.711) 9.978 10.039 ( 13.688 4.254 -0.535) 14.344 10.142 ( 5.236 -0.443 -1.306) 5.414 10.171 ( 4.871 3.479 2.631) 6.538 10.286 ( 10.346 -0.079 -0.502) 10.359 10.368 ( -14.635 3.356 3.490) 15.415 10.514 ( -13.691 2.234 3.518) 14.311 10.538 ( -4.361 3.410 2.640) 6.133 10.825 ( -20.270 -2.141 -5.834) 21.201 11.278 ( 2.049 6.373 7.888) 10.346 11.316 ( -1.608 4.873 13.249) 14.208 11.622 ( 3.035 -0.529 9.111) 9.618 11.655 ( 0.136 -3.156 7.140) 7.807 12.144 ( 4.778 6.535 -6.171) 10.179 12.177 ( -2.522 9.754 -4.672) 11.106 12.213 ( 1.905 6.096 -11.655) 13.290 12.378 ( -10.142 6.764 -7.930) 14.542 12.780 ( 5.190 5.000 10.709) 12.908 12.862 ( -0.654 5.821 8.446) 10.278 12.911 ( 0.662 4.332 6.891) 8.166 12.986 ( -4.266 4.493 5.032) 7.982 13.574 ( 1.763 3.892 4.309) 6.068 13.587 ( 0.432 1.080 3.430) 3.622 13.813 ( 5.314 -8.094 2.285) 9.949 13.882 ( -1.700 -8.797 1.901) 9.159 15.028 ( 3.412 -0.184 7.507) 8.248 15.095 ( -3.059 2.567 6.690) 7.791 15.168 ( 9.941 -6.690 1.895) 12.131 15.352 ( -8.175 -9.420 1.190) 12.529 16.010 ( 4.126 8.249 -30.421) 31.789 16.090 ( -3.694 6.369 -27.168) 28.148 16.194 ( 1.133 -0.284 -27.083) 27.108 16.217 ( -1.084 0.051 -26.480) 26.502 17.356 ( 4.919 1.408 22.699) 23.269 17.374 ( 1.552 1.803 19.731) 19.874 17.426 ( -0.291 1.867 19.393) 19.485 17.535 ( -8.778 -4.436 19.648) 21.973 18.957 ( 1.043 11.761 0.017) 11.807 18.982 ( -1.454 11.254 1.254) 11.416 19.409 ( 2.929 -11.878 -8.475) 14.882 19.462 ( -2.315 -13.527 -6.111) 15.022 22.274 ( 6.282 -2.167 0.707) 6.683 22.354 ( 3.793 -4.619 -1.989) 6.299 22.437 ( -3.995 -5.440 2.089) 7.066 22.519 ( -6.834 -7.794 -0.684) 10.388 24.114 ( 2.493 0.284 0.544) 2.568 24.156 ( -1.201 0.343 -0.688) 1.426 24.221 ( 1.937 -4.685 0.900) 5.149 24.259 ( -1.282 -4.336 -0.207) 4.526 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 0.000 -1.969 -0.067) 1.970 2.784 ( 0.000 1.969 -0.067) 1.970 3.135 ( 0.000 -0.191 4.059) 4.064 3.135 ( 0.000 0.191 4.059) 4.064 3.194 ( 0.000 -4.742 -2.679) 5.446 3.194 ( 0.000 4.742 -2.679) 5.446 3.255 ( 0.000 -1.812 -3.808) 4.217 3.255 ( 0.000 1.813 -3.808) 4.217 3.489 ( 0.000 -4.046 2.990) 5.031 3.489 ( 0.000 4.046 2.990) 5.031 3.562 ( 0.000 -1.860 0.524) 1.932 3.562 ( 0.000 1.860 0.524) 1.932 3.634 ( 0.000 -2.196 1.824) 2.855 3.634 ( 0.000 2.197 1.824) 2.855 3.913 ( 0.000 -2.990 2.015) 3.605 3.913 ( 0.000 2.990 2.015) 3.605 4.432 ( 0.000 -2.719 1.526) 3.118 4.432 ( 0.000 2.719 1.526) 3.118 4.841 ( 0.000 -2.130 5.842) 6.219 4.841 ( 0.000 2.130 5.842) 6.219 4.935 ( 0.000 -1.223 -7.280) 7.382 4.935 ( 0.000 1.223 -7.280) 7.382 5.274 ( 0.000 -1.195 -3.080) 3.303 5.274 ( 0.000 1.195 -3.080) 3.303 6.031 ( 0.000 -2.257 -0.069) 2.258 6.031 ( 0.000 2.257 -0.069) 2.258 6.100 ( 0.000 -5.717 -2.607) 6.284 6.100 ( 0.000 5.717 -2.607) 6.284 7.182 ( 0.000 -4.437 0.166) 4.440 7.182 ( 0.000 4.437 0.166) 4.440 7.371 ( 0.000 -0.974 -0.173) 0.989 7.371 ( 0.000 0.974 -0.173) 0.989 7.622 ( 0.000 -13.824 3.064) 14.159 7.622 ( 0.000 13.824 3.064) 14.160 7.931 ( 0.000 -2.961 2.172) 3.672 7.931 ( 0.000 2.961 2.172) 3.672 8.299 ( 0.000 -16.003 1.090) 16.040 8.299 ( 0.000 16.003 1.090) 16.040 8.460 ( 0.000 -10.052 3.476) 10.636 8.460 ( 0.000 10.052 3.476) 10.636 9.080 ( 0.000 -2.862 2.174) 3.594 9.080 ( 0.000 2.862 2.174) 3.594 9.449 ( 0.000 -3.191 -3.856) 5.005 9.449 ( 0.000 3.191 -3.856) 5.005 9.571 ( 0.000 -10.985 -9.935) 14.811 9.571 ( 0.000 10.985 -9.935) 14.811 9.673 ( 0.000 -12.826 -0.342) 12.830 9.673 ( 0.000 12.826 -0.342) 12.830 9.909 ( 0.000 -7.599 -7.258) 10.508 9.909 ( 0.000 7.599 -7.258) 10.508 10.089 ( 0.000 -3.264 -10.036) 10.553 10.089 ( 0.000 3.264 -10.036) 10.553 10.829 ( 0.000 -0.721 10.521) 10.546 10.829 ( 0.000 0.721 10.521) 10.546 11.263 ( 0.000 -11.227 3.135) 11.656 11.263 ( 0.000 11.227 3.135) 11.656 11.322 ( 0.000 -8.711 1.179) 8.791 11.322 ( 0.000 8.712 1.179) 8.791 11.446 ( 0.000 -4.047 12.520) 13.158 11.446 ( 0.000 4.047 12.520) 13.158 12.180 ( 0.000 -7.020 -11.722) 13.664 12.180 ( 0.000 7.020 -11.722) 13.664 12.664 ( 0.000 -4.389 -2.788) 5.200 12.664 ( 0.000 4.390 -2.788) 5.200 12.690 ( 0.000 -11.488 6.953) 13.428 12.690 ( 0.000 11.488 6.953) 13.429 13.062 ( 0.000 -4.677 7.911) 9.190 13.062 ( 0.000 4.678 7.911) 9.190 13.538 ( 0.000 -0.786 1.948) 2.101 13.538 ( 0.000 0.786 1.948) 2.101 13.694 ( 0.000 -9.881 5.770) 11.443 13.694 ( 0.000 9.882 5.770) 11.443 14.892 ( 0.000 -0.991 6.197) 6.275 14.892 ( 0.000 0.992 6.197) 6.276 15.307 ( 0.000 -9.437 3.676) 10.128 15.307 ( 0.000 9.437 3.676) 10.128 16.091 ( 0.000 -6.561 -32.850) 33.498 16.091 ( 0.000 6.561 -32.850) 33.498 16.242 ( 0.000 -1.226 -26.614) 26.642 16.242 ( 0.000 1.226 -26.614) 26.642 17.309 ( 0.000 -3.291 24.890) 25.107 17.309 ( 0.000 3.292 24.890) 25.106 17.590 ( 0.000 -7.748 17.698) 19.320 17.590 ( 0.000 7.748 17.698) 19.320 19.147 ( 0.000 -9.629 -5.592) 11.135 19.147 ( 0.000 9.629 -5.592) 11.135 19.240 ( 0.000 -12.210 -1.540) 12.307 19.240 ( 0.000 12.210 -1.540) 12.307 22.140 ( 0.000 -1.984 0.134) 1.989 22.140 ( 0.000 1.985 0.134) 1.989 22.564 ( 0.000 -2.664 -0.158) 2.668 22.564 ( 0.000 2.664 -0.158) 2.669 24.049 ( 0.000 -0.793 0.142) 0.805 24.049 ( 0.000 0.793 0.142) 0.806 24.242 ( 0.000 -0.438 0.144) 0.461 24.242 ( 0.000 0.438 0.144) 0.461 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 4.181 -4.613 -0.677) 6.263 2.828 ( 4.181 4.613 -0.677) 6.263 3.106 ( -2.813 -2.985 1.421) 4.341 3.106 ( -2.813 2.986 1.421) 4.341 3.205 ( 1.433 -4.498 -1.289) 4.894 3.205 ( 1.433 4.499 -1.289) 4.894 3.274 ( 1.408 -4.716 -2.275) 5.422 3.274 ( 1.408 4.716 -2.275) 5.422 3.460 ( -2.205 -3.419 2.390) 4.719 3.460 ( -2.205 3.419 2.390) 4.719 3.527 ( -3.255 -2.546 0.974) 4.246 3.527 ( -3.255 2.546 0.974) 4.246 3.690 ( 4.785 -1.782 1.335) 5.278 3.690 ( 4.785 1.782 1.335) 5.278 3.911 ( -0.443 -2.517 1.628) 3.031 3.911 ( -0.443 2.517 1.628) 3.031 4.411 ( -1.445 -2.437 1.859) 3.389 4.411 ( -1.445 2.437 1.859) 3.389 4.682 ( -9.414 -3.864 4.665) 11.195 4.682 ( -9.414 3.864 4.665) 11.195 5.096 ( 9.488 -3.219 -5.364) 11.365 5.096 ( 9.488 3.219 -5.364) 11.365 5.297 ( 1.884 -0.978 -3.485) 4.081 5.297 ( 1.884 0.978 -3.485) 4.081 6.001 ( -2.386 -2.365 -0.135) 3.362 6.001 ( -2.386 2.366 -0.135) 3.362 6.070 ( -2.781 -5.293 -2.320) 6.413 6.070 ( -2.781 5.293 -2.320) 6.413 7.208 ( 1.659 -1.922 -2.098) 3.293 7.208 ( 1.659 1.922 -2.098) 3.293 7.395 ( -0.544 -0.756 5.469) 5.548 7.395 ( -0.544 0.756 5.469) 5.548 7.587 ( 2.441 -9.978 -0.305) 10.277 7.587 ( 2.441 9.978 -0.305) 10.277 8.012 ( 5.548 -3.889 2.527) 7.231 8.012 ( 5.548 3.889 2.527) 7.231 8.278 ( -2.153 -16.805 2.519) 17.129 8.278 ( -2.153 16.806 2.519) 17.129 8.442 ( -2.221 -14.501 3.246) 15.025 8.442 ( -2.221 14.501 3.246) 15.025 9.148 ( 5.723 -4.018 1.039) 7.069 9.148 ( 5.723 4.019 1.039) 7.070 9.408 ( -3.309 -2.919 -3.141) 5.416 9.408 ( -3.309 2.920 -3.141) 5.417 9.605 ( 3.343 -8.154 -12.587) 15.366 9.605 ( 3.343 8.154 -12.587) 15.366 9.735 ( 4.114 -8.425 -4.935) 10.595 9.735 ( 4.114 8.425 -4.935) 10.595 9.941 ( 4.971 -0.766 -3.262) 5.995 9.941 ( 4.971 0.766 -3.262) 5.995 10.103 ( 2.322 -3.316 -7.207) 8.266 10.103 ( 2.322 3.316 -7.207) 8.266 10.689 ( -12.168 -1.797 10.274) 16.026 10.689 ( -12.168 1.798 10.274) 16.026 11.100 ( -14.392 -8.822 -0.569) 16.890 11.100 ( -14.392 8.822 -0.569) 16.890 11.388 ( 3.582 -7.680 3.128) 9.033 11.388 ( 3.582 7.680 3.128) 9.033 11.470 ( 1.965 -8.043 12.891) 15.321 11.470 ( 1.965 8.043 12.891) 15.321 12.187 ( 1.206 -4.975 -10.208) 11.420 12.187 ( 1.206 4.975 -10.208) 11.420 12.515 ( -8.303 -9.466 0.589) 12.605 12.515 ( -8.303 9.466 0.589) 12.605 12.807 ( 5.691 -6.185 4.152) 9.374 12.807 ( 5.691 6.186 4.152) 9.374 13.044 ( -1.831 -4.589 7.548) 9.021 13.044 ( -1.831 4.589 7.548) 9.021 13.583 ( 3.904 -3.208 2.215) 5.517 13.583 ( 3.904 3.208 2.215) 5.517 13.700 ( 0.415 -9.580 5.216) 10.916 13.700 ( 0.415 9.580 5.216) 10.916 14.942 ( 4.816 -0.583 5.757) 7.528 14.942 ( 4.816 0.583 5.757) 7.528 15.277 ( -3.063 -8.774 3.767) 10.028 15.277 ( -3.063 8.775 3.767) 10.029 16.106 ( 1.456 -5.960 -32.291) 32.868 16.106 ( 1.456 5.960 -32.290) 32.868 16.229 ( -1.335 -1.733 -27.232) 27.319 16.229 ( -1.335 1.733 -27.232) 27.319 17.327 ( 1.856 -2.716 24.329) 24.550 17.327 ( 1.856 2.716 24.329) 24.550 17.553 ( -3.504 -6.097 18.496) 19.787 17.553 ( -3.504 6.097 18.496) 19.787 19.158 ( 1.016 -10.048 -5.222) 11.369 19.158 ( 1.016 10.048 -5.222) 11.369 19.232 ( -0.743 -12.100 -1.986) 12.284 19.232 ( -0.743 12.100 -1.986) 12.284 22.177 ( 3.710 -2.191 0.114) 4.310 22.177 ( 3.710 2.191 0.114) 4.310 22.518 ( -4.366 -2.675 -0.122) 5.122 22.518 ( -4.366 2.675 -0.122) 5.122 24.076 ( 2.546 -1.451 0.141) 2.934 24.076 ( 2.546 1.451 0.141) 2.934 24.231 ( -1.180 -1.193 0.143) 1.684 24.231 ( -1.180 1.193 0.143) 1.684 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.930 ( 5.662 -5.821 -1.760) 8.309 2.930 ( 5.662 5.821 -1.760) 8.309 3.033 ( -4.540 -4.595 -1.316) 6.592 3.033 ( -4.540 4.595 -1.316) 6.592 3.250 ( 2.808 -6.807 0.511) 7.381 3.250 ( 2.808 6.807 0.511) 7.381 3.289 ( -0.485 -7.731 -0.215) 7.749 3.289 ( -0.485 7.731 -0.215) 7.749 3.426 ( -0.594 -2.066 1.429) 2.581 3.426 ( -0.594 2.066 1.429) 2.581 3.455 ( -3.315 -3.098 1.385) 4.744 3.455 ( -3.315 3.098 1.385) 4.744 3.795 ( 5.330 -1.121 0.014) 5.447 3.795 ( 5.330 1.122 0.014) 5.447 3.881 ( -3.018 -1.539 0.221) 3.395 3.881 ( -3.018 1.539 0.221) 3.395 4.413 ( 2.443 -1.045 4.268) 5.028 4.413 ( 2.443 1.045 4.268) 5.028 4.513 ( -7.301 -1.772 6.136) 9.700 4.513 ( -7.301 1.772 6.136) 9.700 5.255 ( 6.024 -2.066 -6.064) 8.794 5.255 ( 6.024 2.066 -6.064) 8.794 5.319 ( -0.522 -1.092 -4.893) 5.041 5.319 ( -0.522 1.092 -4.893) 5.041 5.970 ( -0.045 -3.442 -0.376) 3.463 5.970 ( -0.045 3.443 -0.376) 3.463 6.006 ( -3.199 -4.554 -1.272) 5.709 6.006 ( -3.199 4.554 -1.272) 5.709 7.242 ( 2.317 -1.892 -0.803) 3.097 7.242 ( 2.317 1.892 -0.803) 3.097 7.314 ( -4.955 -3.237 2.635) 6.479 7.314 ( -4.955 3.237 2.635) 6.479 7.787 ( 13.964 -5.673 2.723) 15.316 7.787 ( 13.964 5.673 2.723) 15.316 8.023 ( -7.317 -5.114 1.847) 9.116 8.023 ( -7.317 5.114 1.847) 9.117 8.269 ( 3.479 -18.886 4.066) 19.630 8.269 ( 3.479 18.886 4.066) 19.630 8.367 ( -5.047 -17.245 2.564) 18.151 8.367 ( -5.047 17.245 2.564) 18.151 9.256 ( 4.750 -3.256 -1.112) 5.865 9.256 ( 4.750 3.257 -1.112) 5.865 9.338 ( -3.762 -2.885 -2.563) 5.389 9.338 ( -3.762 2.886 -2.563) 5.389 9.686 ( 4.339 -7.075 -14.648) 16.836 9.686 ( 4.339 7.075 -14.648) 16.836 9.754 ( -1.977 -7.905 -12.374) 14.816 9.754 ( -1.977 7.905 -12.374) 14.816 10.129 ( 10.785 -2.596 3.167) 11.537 10.129 ( 10.785 2.596 3.167) 11.537 10.234 ( 9.207 -3.373 -0.490) 9.817 10.234 ( 9.207 3.373 -0.491) 9.817 10.451 ( -6.301 -3.731 6.696) 9.923 10.451 ( -6.301 3.731 6.696) 9.923 10.728 ( -21.716 -8.064 -2.079) 23.258 10.728 ( -21.716 8.064 -2.079) 23.258 11.451 ( 2.815 -10.552 5.896) 12.411 11.451 ( 2.815 10.553 5.896) 12.411 11.488 ( -0.584 -11.129 9.945) 14.937 11.488 ( -0.584 11.129 9.945) 14.937 12.243 ( 4.598 -2.634 -6.143) 8.113 12.243 ( 4.598 2.635 -6.143) 8.113 12.361 ( -7.128 -6.897 -1.943) 10.107 12.361 ( -7.128 6.897 -1.943) 10.107 12.909 ( 4.713 -4.745 5.965) 8.962 12.909 ( 4.713 4.745 5.965) 8.962 12.991 ( -3.528 -4.449 6.946) 8.971 12.991 ( -3.528 4.449 6.946) 8.971 13.659 ( 3.195 -6.309 2.935) 7.657 13.659 ( 3.195 6.309 2.935) 7.657 13.699 ( -0.844 -8.498 4.029) 9.442 13.699 ( -0.844 8.498 4.029) 9.442 15.062 ( 6.789 -3.742 4.857) 9.148 15.062 ( 6.789 3.743 4.857) 9.148 15.189 ( -5.710 -6.801 4.127) 9.792 15.189 ( -5.710 6.801 4.127) 9.793 16.145 ( 2.357 -4.482 -30.784) 31.198 16.145 ( 2.357 4.482 -30.784) 31.198 16.192 ( -2.285 -2.894 -28.842) 29.077 16.192 ( -2.285 2.894 -28.842) 29.077 17.383 ( 3.706 -0.828 22.726) 23.041 17.383 ( 3.706 0.829 22.726) 23.041 17.468 ( -4.710 -2.485 20.488) 21.169 17.468 ( -4.710 2.485 20.488) 21.169 19.183 ( 1.474 -10.917 -4.272) 11.815 19.183 ( 1.474 10.917 -4.272) 11.815 19.212 ( -1.317 -11.682 -3.061) 12.148 19.212 ( -1.317 11.682 -3.061) 12.148 22.277 ( 6.172 -2.511 0.055) 6.664 22.277 ( 6.172 2.511 0.055) 6.664 22.407 ( -6.553 -2.663 -0.036) 7.073 22.407 ( -6.553 2.663 -0.036) 7.073 24.137 ( 3.281 -2.031 0.141) 3.861 24.137 ( 3.281 2.032 0.141) 3.862 24.195 ( -2.464 -1.917 0.142) 3.126 24.195 ( -2.464 1.918 0.142) 3.126 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.000 0.000 27.384) 27.384 1.272 ( 0.000 0.000 31.522) 31.522 1.479 ( 0.000 0.000 -26.395) 26.395 1.791 ( 0.000 0.000 -25.842) 25.842 1.975 ( 0.000 0.000 46.445) 46.445 2.522 ( 0.000 0.000 -5.477) 5.477 2.543 ( 0.000 0.000 7.871) 7.871 2.579 ( 0.000 0.000 8.803) 8.803 2.736 ( 0.000 0.000 -7.710) 7.710 2.765 ( 0.000 0.000 -24.546) 24.546 2.896 ( 0.000 0.000 6.137) 6.137 2.959 ( 0.000 0.000 6.200) 6.200 3.030 ( 0.000 0.000 -8.895) 8.895 3.059 ( 0.000 0.000 -4.531) 4.531 3.212 ( 0.000 0.000 2.638) 2.638 3.252 ( 0.000 0.000 -1.745) 1.745 3.422 ( 0.000 0.000 9.306) 9.306 3.582 ( 0.000 0.000 -7.578) 7.578 3.814 ( 0.000 0.000 9.523) 9.523 3.990 ( 0.000 0.000 -9.049) 9.049 4.371 ( 0.000 0.000 9.854) 9.854 4.571 ( 0.000 0.000 -11.422) 11.422 4.859 ( 0.000 0.000 8.091) 8.091 4.938 ( 0.000 0.000 0.215) 0.215 4.943 ( 0.000 0.000 -0.348) 0.348 5.029 ( 0.000 0.000 -9.330) 9.330 5.235 ( 0.000 0.000 1.791) 1.791 5.267 ( 0.000 0.000 -1.636) 1.636 5.777 ( 0.000 0.000 4.195) 4.195 5.876 ( 0.000 0.000 -5.949) 5.949 6.607 ( 0.000 0.000 3.107) 3.107 6.653 ( 0.000 0.000 -1.028) 1.028 7.041 ( 0.000 0.000 3.278) 3.278 7.106 ( 0.000 0.000 -3.252) 3.252 7.335 ( 0.000 0.000 -0.225) 0.225 7.335 ( 0.000 0.000 0.314) 0.314 7.649 ( 0.000 0.000 2.003) 2.003 7.756 ( 0.000 0.000 -10.491) 10.491 8.073 ( 0.000 0.000 10.218) 10.218 8.084 ( 0.000 0.000 2.186) 2.186 8.127 ( 0.000 0.000 -2.412) 2.412 8.268 ( 0.000 0.000 -10.854) 10.854 8.471 ( 0.000 0.000 6.135) 6.135 8.564 ( 0.000 0.000 -3.824) 3.824 8.832 ( 0.000 0.000 5.495) 5.495 8.916 ( 0.000 0.000 -2.779) 2.779 9.026 ( 0.000 0.000 2.435) 2.435 9.108 ( 0.000 0.000 -5.834) 5.834 9.736 ( 0.000 0.000 15.833) 15.833 9.738 ( 0.000 0.000 6.768) 6.768 9.848 ( 0.000 0.000 -5.190) 5.190 9.965 ( 0.000 0.000 -9.679) 9.679 10.316 ( 0.000 0.000 4.033) 4.033 10.401 ( 0.000 0.000 -5.437) 5.437 10.673 ( 0.000 0.000 16.154) 16.154 11.011 ( 0.000 0.000 -20.619) 20.619 11.230 ( 0.000 0.000 18.443) 18.443 11.236 ( 0.000 0.000 9.040) 9.040 11.441 ( 0.000 0.000 -13.340) 13.340 11.524 ( 0.000 0.000 -10.652) 10.652 11.688 ( 0.000 0.000 1.352) 1.352 11.773 ( 0.000 0.000 -9.550) 9.550 12.223 ( 0.000 0.000 4.109) 4.109 12.265 ( 0.000 0.000 -0.321) 0.321 12.675 ( 0.000 0.000 18.408) 18.408 13.077 ( 0.000 0.000 -25.602) 25.602 13.575 ( 0.000 0.000 3.505) 3.505 13.639 ( 0.000 0.000 20.260) 20.260 13.657 ( 0.000 0.000 -5.680) 5.680 13.720 ( 0.000 0.000 18.756) 18.756 13.975 ( 0.000 0.000 -16.241) 16.241 14.032 ( 0.000 0.000 -15.136) 15.136 14.649 ( 0.000 0.000 1.664) 1.664 14.696 ( 0.000 0.000 -3.759) 3.759 15.211 ( 0.000 0.000 7.248) 7.248 15.332 ( 0.000 0.000 -5.850) 5.850 15.517 ( 0.000 0.000 5.934) 5.934 15.603 ( 0.000 0.000 -3.416) 3.416 16.124 ( 0.000 0.000 17.767) 17.767 16.404 ( 0.000 0.000 -12.808) 12.808 18.067 ( 0.000 0.000 25.822) 25.822 18.532 ( 0.000 0.000 -24.071) 24.071 19.215 ( 0.000 0.000 2.335) 2.335 19.220 ( 0.000 0.000 2.299) 2.299 19.258 ( 0.000 0.000 -2.257) 2.257 19.262 ( 0.000 0.000 -2.206) 2.206 20.187 ( 0.000 0.000 6.840) 6.840 20.316 ( 0.000 0.000 -7.060) 7.060 21.178 ( 0.000 0.000 4.797) 4.797 21.281 ( 0.000 0.000 -6.410) 6.410 21.773 ( 0.000 0.000 4.557) 4.557 21.839 ( 0.000 0.000 -2.658) 2.658 24.114 ( 0.000 0.000 9.736) 9.736 24.322 ( 0.000 0.000 -13.036) 13.036 25.481 ( 0.000 0.000 14.457) 14.457 25.716 ( 0.000 0.000 -11.333) 11.333 ======================= Grid point 151 (50/72) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 13.734 0.000 21.624) 25.616 1.383 ( 10.572 0.000 27.717) 29.665 1.568 ( 7.369 0.000 -23.212) 24.353 1.843 ( 4.581 0.000 -22.446) 22.909 2.148 ( 15.311 0.000 39.023) 41.919 2.398 ( -7.770 0.000 12.081) 14.364 2.447 ( -11.009 0.000 9.034) 14.241 2.471 ( -7.762 0.000 -4.071) 8.765 2.630 ( -9.570 0.000 -10.262) 14.031 2.814 ( 3.080 0.000 -11.964) 12.354 2.890 ( -2.947 0.000 1.143) 3.161 2.968 ( 2.786 0.000 -14.963) 15.220 2.985 ( 2.011 0.000 6.280) 6.594 3.065 ( -0.048 0.000 -2.259) 2.259 3.249 ( 3.025 0.000 1.291) 3.289 3.278 ( 2.152 0.000 -1.661) 2.718 3.510 ( 5.391 0.000 5.417) 7.643 3.653 ( 3.570 0.000 -9.153) 9.825 3.782 ( -4.878 0.000 11.274) 12.284 3.987 ( -3.900 0.000 -9.905) 10.645 4.309 ( -2.441 0.000 10.602) 10.879 4.476 ( -4.836 0.000 -4.860) 6.857 4.878 ( 0.164 0.000 3.158) 3.162 4.969 ( 3.019 0.000 0.415) 3.047 4.977 ( 3.317 0.000 -0.524) 3.359 5.012 ( -1.680 0.000 -8.700) 8.861 5.210 ( -2.536 0.000 1.662) 3.032 5.239 ( -2.764 0.000 -1.518) 3.153 5.852 ( 6.725 0.000 3.199) 7.447 5.942 ( 5.254 0.000 -6.464) 8.330 6.505 ( -7.929 0.000 4.329) 9.034 6.538 ( -6.164 0.000 0.584) 6.191 7.145 ( 6.397 0.000 4.069) 7.582 7.244 ( 4.984 0.000 -6.144) 7.911 7.425 ( 8.133 0.000 2.742) 8.582 7.501 ( 13.740 0.000 -5.822) 14.923 7.714 ( 6.564 0.000 4.481) 7.947 7.855 ( 9.657 0.000 -10.264) 14.092 8.062 ( 0.929 0.000 8.118) 8.171 8.092 ( 0.686 0.000 1.795) 1.922 8.126 ( -0.118 0.000 -1.917) 1.921 8.187 ( -2.371 0.000 -4.050) 4.693 8.489 ( -1.344 0.000 -2.676) 2.995 8.509 ( -3.645 0.000 -2.593) 4.474 8.882 ( 4.727 0.000 5.176) 7.010 8.960 ( 4.128 0.000 -2.016) 4.594 9.026 ( 0.084 0.000 1.615) 1.617 9.101 ( -0.667 0.000 -5.333) 5.374 9.640 ( -8.270 0.000 13.265) 15.631 9.673 ( -5.973 0.000 5.190) 7.912 9.748 ( -8.728 0.000 -2.945) 9.211 9.847 ( -12.525 0.000 -9.143) 15.507 10.194 ( -9.174 0.000 5.192) 10.542 10.307 ( -8.617 0.000 -7.366) 11.336 10.760 ( 7.601 0.000 13.799) 15.754 11.055 ( 3.553 0.000 -17.028) 17.395 11.171 ( -3.877 0.000 14.110) 14.633 11.212 ( -1.966 0.000 7.108) 7.375 11.383 ( -9.755 0.000 -8.908) 13.210 11.412 ( -2.862 0.000 -13.529) 13.828 11.783 ( 9.852 0.000 9.864) 13.941 11.984 ( 11.629 0.000 -10.167) 15.447 12.220 ( 1.263 0.000 9.496) 9.579 12.360 ( 6.985 0.000 -5.104) 8.651 12.765 ( 7.499 0.000 10.217) 12.674 13.059 ( -1.722 0.000 -20.438) 20.511 13.593 ( 1.874 0.000 1.957) 2.709 13.647 ( 0.778 0.000 20.103) 20.118 13.666 ( 0.763 0.000 -6.120) 6.168 13.712 ( -0.743 0.000 18.886) 18.900 13.980 ( 0.547 0.000 -16.127) 16.136 14.027 ( -0.530 0.000 -15.235) 15.244 14.662 ( 1.190 0.000 2.323) 2.610 14.716 ( 1.734 0.000 -3.093) 3.546 15.192 ( -2.690 0.000 8.871) 9.270 15.322 ( -2.303 0.000 -5.661) 6.112 15.525 ( 2.682 0.000 6.053) 6.620 15.614 ( 1.612 0.000 -3.662) 4.001 16.070 ( -4.330 0.000 15.690) 16.276 16.313 ( -8.643 0.000 -10.661) 13.725 18.107 ( 4.113 0.000 26.446) 26.764 18.514 ( -2.464 0.000 -14.063) 14.278 19.215 ( 0.016 0.000 2.301) 2.302 19.219 ( -0.072 0.000 2.261) 2.262 19.259 ( 0.066 0.000 -2.211) 2.212 19.262 ( -0.007 0.000 -2.180) 2.180 20.058 ( -12.846 0.000 10.014) 16.288 20.252 ( -7.606 0.000 -10.231) 12.749 21.098 ( -12.671 0.000 10.680) 16.571 21.235 ( -4.024 0.000 -1.047) 4.158 21.278 ( -22.760 0.000 7.759) 24.046 21.495 ( -22.612 0.000 -9.297) 24.449 24.304 ( 13.951 0.000 11.447) 18.047 24.558 ( 10.749 0.000 -16.333) 19.553 25.677 ( 15.508 0.000 5.813) 16.562 25.831 ( 9.558 0.000 -10.061) 13.877 ======================= Grid point 152 (51/72) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 14.576 0.000 11.083) 18.311 1.647 ( 14.938 0.000 18.761) 23.982 1.652 ( -2.646 0.000 -10.237) 10.574 1.881 ( -5.002 0.000 -2.146) 5.443 2.150 ( -2.629 0.000 6.654) 7.155 2.260 ( -10.792 0.000 -3.830) 11.452 2.280 ( -1.065 0.000 -2.677) 2.881 2.414 ( -11.000 0.000 -12.519) 16.665 2.741 ( 29.615 0.000 26.956) 40.046 2.810 ( -0.270 0.000 5.273) 5.280 2.839 ( -0.077 0.000 1.391) 1.393 3.022 ( 1.713 0.000 4.281) 4.611 3.051 ( -1.199 0.000 1.215) 1.707 3.222 ( 17.384 0.000 -20.821) 27.124 3.301 ( 1.790 0.000 -0.215) 1.803 3.311 ( 0.756 0.000 -1.182) 1.403 3.390 ( -27.643 0.000 11.685) 30.011 3.523 ( -8.913 0.000 -2.907) 9.375 3.743 ( 4.031 0.000 -3.919) 5.622 3.850 ( -7.110 0.000 -11.464) 13.489 4.379 ( 5.806 0.000 6.544) 8.749 4.444 ( -0.307 0.000 1.869) 1.894 4.880 ( 1.647 0.000 -0.459) 1.710 4.953 ( -4.342 0.000 -6.426) 7.756 5.046 ( 4.477 0.000 0.780) 4.544 5.061 ( 4.696 0.000 -0.842) 4.770 5.142 ( -3.997 0.000 1.287) 4.199 5.165 ( -4.546 0.000 -1.170) 4.694 5.989 ( 5.729 0.000 0.556) 5.756 6.028 ( 2.164 0.000 -3.844) 4.411 6.397 ( -2.187 0.000 4.441) 4.951 6.430 ( -4.548 0.000 0.750) 4.610 7.236 ( 3.496 0.000 0.472) 3.528 7.284 ( -0.571 0.000 -4.038) 4.078 7.520 ( 1.103 0.000 1.539) 1.894 7.562 ( -3.366 0.000 -2.906) 4.447 7.951 ( 13.824 0.000 5.964) 15.056 8.071 ( 10.488 0.000 -4.912) 11.581 8.108 ( 0.835 0.000 0.729) 1.108 8.121 ( -0.466 0.000 -0.688) 0.831 8.172 ( -3.363 0.000 2.177) 4.006 8.189 ( 2.388 0.000 2.044) 3.143 8.473 ( 3.076 0.000 -2.537) 3.987 8.512 ( 5.738 0.000 -6.433) 8.621 8.984 ( 4.281 0.000 4.004) 5.862 9.022 ( -0.099 0.000 2.981) 2.983 9.056 ( 3.736 0.000 -3.207) 4.923 9.089 ( -0.350 0.000 -3.865) 3.880 9.450 ( -8.569 0.000 1.609) 8.718 9.525 ( -15.523 0.000 -5.201) 16.372 9.553 ( -4.239 0.000 2.304) 4.824 9.577 ( -6.637 0.000 -0.221) 6.641 10.076 ( -1.614 0.000 0.781) 1.793 10.133 ( -6.980 0.000 -5.710) 9.018 10.925 ( 8.305 0.000 10.490) 13.379 11.060 ( -4.582 0.000 4.191) 6.210 11.138 ( 1.161 0.000 6.407) 6.511 11.217 ( -6.602 0.000 -2.359) 7.011 11.227 ( 4.597 0.000 -10.903) 11.832 11.332 ( -5.093 0.000 -13.881) 14.786 11.969 ( 7.972 0.000 12.048) 14.446 12.077 ( -2.196 0.000 4.246) 4.780 12.329 ( 8.692 0.000 3.026) 9.203 12.440 ( -0.754 0.000 -5.575) 5.625 12.911 ( 6.494 0.000 -1.363) 6.636 13.009 ( -3.547 0.000 -11.085) 11.639 13.640 ( 2.431 0.000 -0.845) 2.574 13.667 ( 1.240 0.000 19.706) 19.745 13.672 ( -0.563 0.000 -4.256) 4.293 13.692 ( -1.218 0.000 19.240) 19.279 13.995 ( 0.876 0.000 -15.839) 15.863 14.012 ( -0.865 0.000 -15.499) 15.524 14.696 ( 2.376 0.000 4.769) 5.328 14.737 ( -0.641 0.000 2.433) 2.516 15.141 ( 0.421 0.000 1.548) 1.605 15.230 ( -6.447 0.000 -6.561) 9.198 15.620 ( 5.392 0.000 3.944) 6.680 15.665 ( 1.775 0.000 -1.150) 2.115 16.010 ( -0.054 0.000 8.307) 8.307 16.114 ( -9.645 0.000 -3.077) 10.124 18.230 ( 8.202 0.000 25.488) 26.776 18.406 ( -8.413 0.000 11.884) 14.561 19.216 ( 0.050 0.000 2.239) 2.239 19.217 ( -0.083 0.000 2.218) 2.219 19.260 ( 0.072 0.000 -2.146) 2.147 19.261 ( -0.037 0.000 -2.140) 2.140 19.861 ( -1.553 0.000 -2.459) 2.909 20.014 ( -13.903 0.000 -15.063) 20.498 20.907 ( -1.256 0.000 9.412) 9.496 20.996 ( -9.873 0.000 1.281) 9.955 21.197 ( -0.020 0.000 -3.059) 3.060 21.244 ( -5.262 0.000 -6.363) 8.257 24.533 ( 8.460 0.000 5.289) 9.977 24.633 ( -1.531 0.000 -5.305) 5.521 25.925 ( 8.144 0.000 -0.746) 8.179 25.977 ( 3.058 0.000 -6.162) 6.879 ======================= Grid point 155 (52/72) ======================= q-point: ( 0.00 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( 0.000 15.188 22.844) 27.432 1.232 ( 0.000 3.146 28.835) 29.006 1.587 ( 0.000 10.550 -23.772) 26.008 1.746 ( 0.000 -1.144 -26.402) 26.426 2.331 ( 0.000 27.690 35.361) 44.913 2.517 ( 0.000 2.743 8.094) 8.546 2.546 ( 0.000 1.554 -1.062) 1.882 2.754 ( 0.000 12.316 6.664) 14.004 2.846 ( 0.000 10.217 -6.296) 12.001 2.918 ( 0.000 2.770 6.914) 7.448 2.926 ( 0.000 12.767 -15.154) 19.815 3.008 ( 0.000 5.119 0.709) 5.168 3.064 ( 0.000 0.873 -2.056) 2.234 3.072 ( 0.000 5.437 -11.329) 12.566 3.312 ( 0.000 9.390 1.324) 9.482 3.322 ( 0.000 5.897 0.562) 5.924 3.478 ( 0.000 4.291 5.459) 6.944 3.585 ( 0.000 -0.055 -6.385) 6.386 3.751 ( 0.000 -2.341 9.241) 9.533 3.938 ( 0.000 -2.056 -10.127) 10.334 4.357 ( 0.000 -0.340 10.517) 10.522 4.564 ( 0.000 -0.097 -11.470) 11.470 4.777 ( 0.000 -2.474 9.666) 9.978 4.967 ( 0.000 -0.988 -10.267) 10.314 5.295 ( 0.000 25.607 1.878) 25.675 5.329 ( 0.000 28.043 -1.831) 28.103 5.494 ( 0.000 24.180 2.555) 24.315 5.541 ( 0.000 25.469 -2.505) 25.592 5.824 ( 0.000 5.435 3.592) 6.515 5.905 ( 0.000 3.480 -4.743) 5.883 6.547 ( 0.000 -6.474 3.065) 7.163 6.555 ( 0.000 -3.632 0.971) 3.759 7.038 ( 0.000 0.040 3.058) 3.058 7.103 ( 0.000 -0.235 -3.511) 3.519 7.348 ( 0.000 1.442 -0.131) 1.448 7.354 ( 0.000 2.529 -0.516) 2.581 7.604 ( 0.000 -2.362 3.574) 4.284 7.710 ( 0.000 -3.948 -8.891) 9.728 8.072 ( 0.000 2.831 10.358) 10.738 8.224 ( 0.000 3.881 -5.103) 6.411 8.365 ( 0.000 -1.509 2.061) 2.554 8.369 ( 0.000 13.426 -4.079) 14.032 8.400 ( 0.000 15.530 -4.742) 16.238 8.462 ( 0.000 -7.357 -5.767) 9.348 8.956 ( 0.000 8.063 3.825) 8.924 9.026 ( 0.000 2.602 -2.984) 3.959 9.046 ( 0.000 7.818 4.225) 8.887 9.130 ( 0.000 3.820 -4.575) 5.960 9.685 ( 0.000 -0.816 10.557) 10.588 9.716 ( 0.000 -1.116 5.444) 5.557 9.956 ( 0.000 4.998 1.511) 5.222 10.032 ( 0.000 1.663 -3.821) 4.167 10.180 ( 0.000 5.930 5.537) 8.114 10.291 ( 0.000 3.626 -4.694) 5.931 11.037 ( 0.000 -8.862 4.918) 10.135 11.040 ( 0.000 -8.266 2.561) 8.654 11.207 ( 0.000 8.218 -2.097) 8.481 11.289 ( 0.000 22.222 -12.776) 25.633 11.478 ( 0.000 3.075 -2.482) 3.951 11.568 ( 0.000 5.639 -8.633) 10.311 11.843 ( 0.000 11.532 3.430) 12.031 11.942 ( 0.000 13.124 -7.672) 15.202 12.268 ( 0.000 4.412 5.913) 7.378 12.357 ( 0.000 7.955 -4.431) 9.106 12.660 ( 0.000 -1.794 17.896) 17.986 13.022 ( 0.000 -7.163 -20.377) 21.599 13.190 ( 0.000 -26.299 10.832) 28.442 13.327 ( 0.000 -25.927 17.263) 31.148 13.389 ( 0.000 -19.591 -12.985) 23.504 13.637 ( 0.000 -25.718 -16.433) 30.520 13.864 ( 0.000 4.973 10.419) 11.545 14.079 ( 0.000 2.341 -12.740) 12.954 14.683 ( 0.000 1.114 3.277) 3.462 14.750 ( 0.000 3.562 -4.414) 5.672 15.458 ( 0.000 19.927 8.373) 21.614 15.537 ( 0.000 8.149 3.219) 8.762 15.669 ( 0.000 19.246 -4.052) 19.668 15.692 ( 0.000 8.487 -3.263) 9.093 16.113 ( 0.000 -0.460 16.850) 16.857 16.378 ( 0.000 -2.325 -12.045) 12.267 17.970 ( 0.000 -9.266 17.159) 19.501 18.248 ( 0.000 -22.326 -12.729) 25.700 18.494 ( 0.000 -45.740 8.816) 46.582 18.609 ( 0.000 -43.641 -4.747) 43.899 19.121 ( 0.000 -8.072 12.199) 14.628 19.380 ( 0.000 6.908 -15.589) 17.051 20.625 ( 0.000 19.942 4.515) 20.447 20.664 ( 0.000 9.271 1.432) 9.381 21.429 ( 0.000 22.623 2.643) 22.777 21.487 ( 0.000 19.775 -3.734) 20.125 21.852 ( 0.000 9.972 5.278) 11.283 21.959 ( 0.000 13.066 -7.077) 14.859 24.076 ( 0.000 -2.587 8.807) 9.179 24.270 ( 0.000 -4.530 -12.438) 13.237 25.366 ( 0.000 -11.043 13.030) 17.080 25.568 ( 0.000 -13.652 -8.775) 16.229 ======================= Grid point 156 (53/72) ======================= q-point: ( 0.20 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 10.707 11.646 18.747) 24.530 1.378 ( 13.959 4.392 24.878) 28.863 1.651 ( 5.439 8.162 -20.347) 22.588 1.841 ( 8.385 1.865 -23.666) 25.177 2.341 ( -8.548 6.905 11.453) 15.872 2.451 ( -1.054 8.051 6.938) 10.681 2.515 ( 1.181 12.885 16.059) 20.623 2.586 ( -11.921 9.934 8.911) 17.894 2.745 ( -8.620 9.831 -6.754) 14.716 2.877 ( -1.465 3.855 1.592) 4.420 2.915 ( -4.110 3.573 0.981) 5.534 3.025 ( 4.231 6.598 1.276) 7.941 3.108 ( 6.722 11.559 -12.818) 18.523 3.131 ( 1.000 6.510 -6.810) 9.474 3.327 ( 2.450 6.614 2.142) 7.371 3.356 ( 2.412 6.948 -0.547) 7.375 3.525 ( 3.198 1.672 3.945) 5.347 3.644 ( 2.997 -0.261 -8.118) 8.657 3.760 ( -1.354 0.197 9.526) 9.623 3.944 ( -1.250 -1.231 -8.842) 9.015 4.315 ( -2.360 1.025 9.885) 10.215 4.473 ( -6.000 0.498 -4.591) 7.572 4.807 ( 2.246 -2.417 3.903) 5.111 4.948 ( -1.619 -1.500 -9.024) 9.290 5.311 ( 1.636 26.567 2.233) 26.711 5.356 ( 2.326 27.852 -2.675) 28.077 5.485 ( -1.211 25.647 2.094) 25.761 5.526 ( -1.677 26.531 -2.239) 26.678 5.878 ( 5.084 3.089 2.954) 6.641 5.957 ( 4.191 1.976 -5.383) 7.103 6.467 ( -5.487 -2.544 4.365) 7.458 6.503 ( -4.568 -2.608 0.138) 5.262 7.125 ( 6.164 -1.373 3.280) 7.116 7.199 ( 5.228 -3.012 -4.298) 7.408 7.417 ( 5.991 0.354 1.631) 6.219 7.446 ( 8.695 -1.794 -1.916) 9.082 7.679 ( 7.242 -2.314 3.267) 8.275 7.780 ( 6.686 -5.092 -8.030) 11.624 8.036 ( -2.285 1.713 7.012) 7.571 8.119 ( -7.734 -0.207 -1.613) 7.903 8.324 ( 0.304 6.047 0.777) 6.104 8.363 ( -3.658 4.737 -4.069) 7.237 8.473 ( 4.847 5.651 -1.225) 7.545 8.541 ( 8.435 13.251 -9.295) 18.252 8.982 ( 1.712 2.900 3.636) 4.956 9.031 ( 0.068 1.594 0.524) 1.680 9.086 ( 4.101 10.900 0.204) 11.648 9.134 ( 0.641 6.793 -3.516) 7.676 9.558 ( -9.287 -2.490 10.364) 14.137 9.674 ( -6.776 -0.298 -1.665) 6.984 9.862 ( -7.836 6.928 4.520) 11.395 9.974 ( -7.686 9.357 -6.969) 13.971 10.184 ( 1.499 2.497 6.061) 6.725 10.257 ( -3.885 7.704 -1.832) 8.820 10.996 ( -2.613 -5.707 4.572) 7.765 11.045 ( 0.135 -7.886 1.871) 8.107 11.141 ( -6.968 5.712 -3.588) 9.698 11.151 ( -6.040 7.244 -6.996) 11.743 11.463 ( -3.812 9.654 -4.361) 11.258 11.495 ( -6.388 8.302 -6.990) 12.593 11.890 ( 6.034 7.554 8.322) 12.757 12.054 ( 5.907 5.597 -7.344) 10.962 12.304 ( 4.532 7.235 8.618) 12.131 12.444 ( 6.989 5.817 -5.143) 10.447 12.751 ( 7.152 -1.716 8.554) 11.281 13.005 ( -1.578 -6.630 -15.504) 16.935 13.197 ( 0.741 -26.897 9.312) 28.473 13.281 ( -2.590 -27.052 8.211) 28.389 13.460 ( 4.741 -18.030 -3.626) 18.992 13.629 ( -1.053 -23.019 -10.880) 25.482 13.885 ( 2.274 3.073 4.641) 6.013 14.061 ( -1.711 1.378 -12.319) 12.513 14.725 ( 3.907 3.439 3.670) 6.369 14.802 ( 4.663 6.086 -4.677) 8.981 15.417 ( -5.187 16.037 10.694) 19.961 15.568 ( 0.289 11.945 -2.505) 12.208 15.613 ( -2.332 14.124 2.264) 14.494 15.696 ( 1.469 9.697 -3.693) 10.480 16.074 ( -3.169 0.865 14.413) 14.783 16.294 ( -7.913 -1.572 -9.547) 12.499 17.994 ( 2.464 -10.451 17.309) 20.369 18.229 ( -2.173 -22.168 -5.000) 22.829 18.502 ( 0.964 -44.415 4.265) 44.630 18.600 ( -0.949 -43.411 -4.928) 43.700 19.146 ( 2.512 -6.582 12.365) 14.231 19.382 ( -0.301 6.886 -11.466) 13.378 20.478 ( -13.085 11.843 10.396) 20.483 20.643 ( -5.013 12.807 -6.285) 15.121 21.366 ( -11.543 25.915 5.259) 28.853 21.444 ( -3.054 20.174 0.149) 20.405 21.474 ( -20.405 21.634 4.362) 30.057 21.642 ( -18.733 17.582 -9.009) 27.226 24.247 ( 13.128 -5.013 10.902) 17.786 24.484 ( 10.563 -6.791 -14.996) 19.560 25.532 ( 13.872 -13.821 6.297) 20.570 25.664 ( 8.223 -15.113 -7.214) 18.657 ======================= Grid point 157 (54/72) ======================= q-point: ( 0.40 0.07 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 13.742 9.136 10.083) 19.338 1.672 ( 10.803 4.530 9.943) 15.365 1.740 ( 3.088 7.551 -2.967) 8.681 1.916 ( -6.062 4.921 -2.049) 8.072 2.231 ( 4.745 4.888 -2.129) 7.137 2.307 ( -7.102 5.111 -2.726) 9.164 2.337 ( -8.511 5.454 -2.146) 10.334 2.446 ( -12.173 5.019 -8.506) 15.676 2.836 ( 1.289 4.129 6.996) 8.225 2.857 ( -1.883 3.322 4.288) 5.742 2.943 ( 20.155 15.063 18.662) 31.327 3.094 ( 4.403 7.254 3.981) 9.373 3.108 ( -1.762 5.042 1.351) 5.509 3.325 ( 10.921 9.481 -12.810) 19.320 3.366 ( -0.556 6.135 1.498) 6.340 3.399 ( 2.126 7.562 -2.252) 8.172 3.485 ( -16.200 8.796 7.502) 19.902 3.544 ( -7.016 2.448 -0.333) 7.438 3.734 ( 4.285 1.326 -4.699) 6.496 3.855 ( -6.986 2.398 -11.177) 13.397 4.345 ( 3.937 -1.670 6.232) 7.558 4.403 ( -1.856 -2.117 1.763) 3.322 4.856 ( 2.861 -1.378 -1.149) 3.377 4.911 ( -2.310 -1.841 -5.736) 6.452 5.359 ( 3.090 26.907 2.194) 27.173 5.400 ( 1.090 27.739 -1.597) 27.806 5.447 ( -1.582 28.154 0.580) 28.205 5.478 ( -2.861 28.562 -2.159) 28.786 5.987 ( 4.787 0.158 0.592) 4.826 6.024 ( 1.471 0.023 -3.530) 3.824 6.387 ( -1.786 -0.833 3.941) 4.406 6.413 ( -3.854 -1.424 0.938) 4.214 7.215 ( 2.957 -1.242 0.298) 3.222 7.245 ( 0.027 -2.111 -2.706) 3.432 7.516 ( 2.813 -0.220 2.136) 3.539 7.545 ( 0.285 -0.757 -1.009) 1.294 7.870 ( 9.370 -5.645 1.239) 11.009 7.914 ( 4.016 -7.849 -2.795) 9.249 8.031 ( 1.129 -1.255 2.071) 2.672 8.061 ( 3.337 -2.695 -1.696) 4.612 8.238 ( -5.774 1.145 1.334) 6.036 8.285 ( -5.910 -0.488 -3.102) 6.692 8.668 ( 13.982 18.028 1.787) 22.885 8.755 ( 9.864 19.332 -6.966) 22.793 8.986 ( -0.703 -3.714 1.546) 4.084 9.020 ( -1.913 -0.068 -1.427) 2.388 9.166 ( 2.697 9.971 0.439) 10.339 9.170 ( 2.395 10.961 0.925) 11.258 9.364 ( -8.180 -2.437 2.908) 9.017 9.436 ( -13.897 -0.835 -4.220) 14.547 9.751 ( -1.968 12.630 1.762) 12.903 9.806 ( -7.128 14.131 -3.736) 16.262 10.181 ( -1.615 10.691 0.331) 10.817 10.188 ( -1.663 7.486 -0.549) 7.688 10.956 ( -0.182 -1.691 6.013) 6.249 11.006 ( -4.897 -2.315 3.989) 6.727 11.080 ( 2.659 -7.252 -1.846) 7.942 11.112 ( -0.278 -6.278 -9.023) 10.996 11.365 ( -3.464 10.669 -2.459) 11.484 11.384 ( -4.478 9.748 -5.653) 12.126 12.015 ( 5.586 3.119 9.109) 11.132 12.091 ( -1.718 1.630 3.337) 4.092 12.443 ( 7.694 7.491 2.043) 10.931 12.531 ( 0.080 5.344 -5.247) 7.490 12.883 ( 5.641 -3.179 -0.450) 6.491 12.964 ( -2.756 -4.896 -7.463) 9.341 13.217 ( 1.089 -28.014 6.747) 28.836 13.241 ( -1.535 -28.366 6.007) 29.036 13.543 ( 3.367 -16.732 0.259) 17.069 13.595 ( -2.176 -18.708 -1.497) 18.894 13.948 ( 3.686 0.340 -5.034) 6.248 14.015 ( -2.928 -0.040 -10.311) 10.719 14.818 ( 4.989 8.430 4.953) 10.977 14.877 ( 0.776 10.798 0.068) 10.826 15.320 ( -0.552 11.370 3.522) 11.916 15.432 ( -9.108 13.353 -7.218) 17.702 15.695 ( 5.465 8.946 4.818) 11.537 15.744 ( 1.421 9.782 -0.861) 9.922 16.028 ( -0.124 1.835 8.208) 8.411 16.116 ( -8.402 0.482 -1.681) 8.582 18.064 ( 4.536 -14.157 16.132) 21.938 18.160 ( -4.634 -19.365 8.987) 21.846 18.533 ( 2.012 -42.794 -2.779) 42.931 18.572 ( -1.806 -42.880 -5.039) 43.212 19.223 ( 5.301 -2.019 11.794) 13.087 19.335 ( -4.889 4.181 3.287) 7.224 20.277 ( -1.819 11.402 -1.741) 11.676 20.430 ( -13.907 12.169 -14.525) 23.505 21.166 ( -2.160 28.873 7.402) 29.885 21.226 ( -7.656 25.947 1.706) 27.107 21.415 ( -0.136 21.035 -2.347) 21.166 21.451 ( -4.076 20.473 -5.373) 21.555 24.467 ( 8.286 -6.174 5.171) 11.555 24.563 ( -1.246 -6.607 -5.046) 8.406 25.762 ( 7.422 -15.637 -0.554) 17.318 25.800 ( 3.458 -16.458 -4.274) 17.352 ======================= Grid point 160 (55/72) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.000 20.184 14.029) 24.581 1.533 ( 0.000 21.557 14.665) 26.072 1.841 ( 0.000 11.232 -19.935) 22.882 1.872 ( 0.000 17.335 -18.356) 25.248 2.596 ( 0.000 7.540 1.618) 7.711 2.613 ( 0.000 5.543 -0.366) 5.555 2.952 ( 0.000 28.354 24.284) 37.332 3.009 ( 0.000 11.352 5.957) 12.820 3.021 ( 0.000 8.972 7.543) 11.722 3.038 ( 0.000 7.273 2.602) 7.725 3.098 ( 0.000 7.903 -2.650) 8.336 3.113 ( 0.000 5.243 1.408) 5.429 3.145 ( 0.000 8.362 -5.411) 9.960 3.346 ( 0.000 16.262 -10.185) 19.188 3.393 ( 0.000 0.423 5.979) 5.994 3.492 ( 0.000 4.665 -4.819) 6.707 3.586 ( 0.000 8.414 0.246) 8.417 3.638 ( 0.000 10.402 -8.381) 13.358 3.832 ( 0.000 9.201 7.597) 11.932 3.989 ( 0.000 7.390 -7.739) 10.700 4.378 ( 0.000 2.500 10.118) 10.422 4.586 ( 0.000 2.579 -11.687) 11.968 4.746 ( 0.000 -0.715 9.499) 9.525 4.940 ( 0.000 -1.452 -10.704) 10.802 5.710 ( 0.000 11.195 1.562) 11.304 5.759 ( 0.000 10.280 -3.471) 10.850 6.007 ( 0.000 14.379 3.949) 14.911 6.044 ( 0.000 8.327 0.038) 8.327 6.141 ( 0.000 34.045 1.170) 34.065 6.170 ( 0.000 34.462 -2.140) 34.529 6.535 ( 0.000 8.480 2.649) 8.884 6.575 ( 0.000 9.331 -1.825) 9.507 7.051 ( 0.000 1.554 2.551) 2.987 7.103 ( 0.000 0.750 -2.896) 2.991 7.399 ( 0.000 3.832 2.686) 4.680 7.458 ( 0.000 8.327 -3.643) 9.089 7.594 ( 0.000 2.078 -1.350) 2.478 7.630 ( 0.000 -3.449 -5.634) 6.606 8.168 ( 0.000 6.897 7.769) 10.389 8.264 ( 0.000 1.159 -2.577) 2.825 8.278 ( 0.000 -1.211 2.142) 2.460 8.360 ( 0.000 -0.720 -6.679) 6.718 8.720 ( 0.000 17.692 -0.584) 17.701 8.788 ( 0.000 16.321 -7.492) 17.958 9.009 ( 0.000 -0.397 3.267) 3.291 9.032 ( 0.000 4.227 -0.671) 4.280 9.294 ( 0.000 15.068 2.237) 15.233 9.331 ( 0.000 14.621 -1.380) 14.686 9.743 ( 0.000 6.002 7.882) 9.907 9.748 ( 0.000 4.646 6.129) 7.691 10.040 ( 0.000 6.412 4.648) 7.919 10.174 ( 0.000 12.531 -8.444) 15.111 10.428 ( 0.000 13.144 4.046) 13.752 10.499 ( 0.000 13.646 -3.159) 14.007 10.866 ( 0.000 -6.465 1.080) 6.555 10.884 ( 0.000 -3.688 -1.486) 3.976 11.307 ( 0.000 1.264 4.468) 4.644 11.425 ( 0.000 -1.786 -7.366) 7.579 11.505 ( 0.000 -4.810 5.435) 7.258 11.733 ( 0.000 0.305 -19.101) 19.103 12.041 ( 0.000 6.418 7.775) 10.082 12.188 ( 0.000 8.574 -7.673) 11.506 12.374 ( 0.000 4.394 5.882) 7.342 12.419 ( 0.000 -5.036 -0.826) 5.103 12.574 ( 0.000 -7.578 13.628) 15.593 12.644 ( 0.000 -23.427 16.548) 28.682 12.678 ( 0.000 -21.807 -2.580) 21.959 12.916 ( 0.000 -10.212 16.452) 19.363 13.121 ( 0.000 -8.693 -30.776) 31.980 13.325 ( 0.000 0.150 -27.650) 27.650 13.893 ( 0.000 -1.095 8.265) 8.338 14.082 ( 0.000 -1.515 -12.708) 12.798 14.682 ( 0.000 -0.736 6.934) 6.973 14.812 ( 0.000 2.768 -7.597) 8.086 15.601 ( 0.000 -1.195 11.043) 11.107 15.757 ( 0.000 6.877 -4.535) 8.237 15.944 ( 0.000 15.536 4.368) 16.139 16.018 ( 0.000 10.410 0.268) 10.413 16.141 ( 0.000 3.341 10.717) 11.225 16.333 ( 0.000 -1.791 -8.725) 8.907 17.709 ( 0.000 -16.747 3.779) 17.168 17.793 ( 0.000 -23.944 -4.641) 24.390 17.837 ( 0.000 -16.961 0.383) 16.966 17.858 ( 0.000 -27.281 -1.901) 27.347 18.950 ( 0.000 -8.370 26.718) 27.999 19.439 ( 0.000 -0.865 -26.200) 26.214 20.539 ( 0.000 -17.124 16.566) 23.825 20.709 ( 0.000 -8.414 -3.264) 9.025 21.947 ( 0.000 27.104 0.599) 27.110 21.960 ( 0.000 24.640 -0.731) 24.651 22.166 ( 0.000 18.224 3.886) 18.634 22.243 ( 0.000 11.941 -4.470) 12.751 24.062 ( 0.000 1.706 4.008) 4.356 24.182 ( 0.000 -3.312 -8.978) 9.570 25.074 ( 0.000 -17.544 10.262) 20.324 25.228 ( 0.000 -19.726 -6.425) 20.746 ======================= Grid point 161 (56/72) ======================= q-point: ( 0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.575 ( 9.431 17.882 13.833) 24.496 1.631 ( 8.691 18.814 11.823) 23.859 1.878 ( 4.075 14.481 -14.300) 20.756 1.976 ( 8.672 11.806 -19.760) 24.598 2.488 ( -9.601 9.622 4.126) 14.205 2.558 ( -5.536 6.782 -3.326) 9.365 2.756 ( -14.949 8.127 6.180) 18.103 2.853 ( -12.872 8.717 -2.025) 15.677 2.988 ( -1.320 9.133 5.679) 10.835 3.002 ( -1.673 12.265 4.416) 13.143 3.122 ( 4.457 19.060 11.212) 22.558 3.176 ( 4.383 10.613 7.106) 13.503 3.238 ( 1.105 5.309 -1.714) 5.687 3.408 ( 6.130 7.352 -3.571) 10.217 3.446 ( 4.178 9.072 -1.311) 10.074 3.502 ( 3.448 8.488 -3.059) 9.659 3.623 ( 1.573 9.042 0.730) 9.207 3.710 ( 4.922 8.965 -9.379) 13.877 3.847 ( 0.609 8.296 8.392) 11.816 4.008 ( 1.034 7.564 -6.690) 10.151 4.360 ( -1.347 3.495 8.659) 9.434 4.516 ( -6.044 4.053 -4.932) 8.791 4.772 ( 2.395 -1.248 3.317) 4.277 4.919 ( -1.911 -1.492 -9.739) 10.036 5.763 ( 4.654 11.729 1.265) 12.682 5.802 ( 4.166 10.021 -2.851) 11.221 6.026 ( 1.421 11.720 2.030) 11.979 6.043 ( -0.722 12.230 -0.029) 12.251 6.148 ( 1.155 31.911 1.326) 31.959 6.178 ( 0.760 35.522 -2.033) 35.588 6.494 ( -3.883 8.758 2.604) 9.928 6.529 ( -4.375 10.075 -1.336) 11.065 7.118 ( 5.812 0.970 2.585) 6.434 7.168 ( 5.240 -0.031 -2.453) 5.786 7.444 ( 4.162 1.213 1.791) 4.690 7.479 ( 2.297 6.268 -1.969) 6.960 7.654 ( 5.745 -0.129 -1.569) 5.956 7.691 ( 5.558 -2.599 -5.653) 8.342 8.120 ( -3.693 6.854 3.879) 8.698 8.148 ( -6.688 4.340 0.204) 7.976 8.311 ( -0.387 -1.820 0.134) 1.865 8.356 ( -0.992 1.886 -4.541) 5.017 8.776 ( 5.616 14.553 1.023) 15.632 8.861 ( 5.706 12.315 -7.479) 15.498 8.996 ( 0.348 4.213 3.902) 5.753 9.057 ( 1.763 4.353 -2.482) 5.311 9.326 ( 2.484 12.277 3.700) 13.061 9.379 ( 4.111 14.270 -1.797) 14.959 9.593 ( -9.649 6.585 10.602) 15.775 9.743 ( -5.232 8.106 -4.783) 10.768 10.006 ( -2.015 9.360 8.367) 12.715 10.160 ( -2.158 11.290 -7.867) 13.929 10.404 ( -1.329 12.304 5.333) 13.476 10.503 ( -1.629 13.774 -4.608) 14.615 10.839 ( -1.050 -5.421 3.982) 6.807 10.894 ( 1.190 -3.150 -2.366) 4.115 11.211 ( -8.067 2.037 1.081) 8.390 11.255 ( -10.970 1.628 -4.087) 11.820 11.540 ( -0.871 -4.290 2.171) 4.886 11.685 ( -5.053 1.002 -13.790) 14.721 12.042 ( 0.693 6.067 9.407) 11.215 12.198 ( -0.612 7.817 -3.832) 8.727 12.356 ( -1.214 -8.912 2.730) 9.400 12.415 ( 2.077 -8.944 -0.831) 9.220 12.631 ( 1.297 -19.719 5.975) 20.645 12.676 ( 1.260 -23.277 4.622) 23.765 12.710 ( 6.105 -6.836 9.264) 13.032 12.877 ( -1.690 -7.036 7.490) 10.414 13.205 ( 6.187 -7.049 -18.450) 20.697 13.353 ( 1.946 0.288 -22.864) 22.949 13.894 ( 0.471 -1.803 4.851) 5.197 14.048 ( -3.046 -2.159 -11.824) 12.400 14.765 ( 7.695 0.877 7.197) 10.572 14.905 ( 8.519 4.133 -8.049) 12.427 15.548 ( -5.897 -0.765 11.748) 13.167 15.734 ( -3.423 4.406 -7.000) 8.952 15.923 ( -0.958 15.611 5.840) 16.695 15.999 ( -0.426 11.561 0.130) 11.569 16.121 ( -2.023 3.626 10.079) 10.901 16.274 ( -5.468 0.024 -5.933) 8.068 17.719 ( 0.961 -17.564 3.919) 18.022 17.805 ( 0.988 -25.529 -4.873) 26.009 17.820 ( -1.335 -17.064 1.473) 17.180 17.860 ( -0.053 -25.229 -2.797) 25.383 18.996 ( 4.725 -7.814 26.344) 27.882 19.432 ( -1.532 -1.638 -18.331) 18.468 20.381 ( -12.314 -14.837 15.722) 24.879 20.630 ( -8.747 -10.481 -9.484) 16.623 21.901 ( -5.788 24.969 3.399) 25.856 21.934 ( -1.362 26.959 0.611) 27.000 22.012 ( -10.030 27.048 1.416) 28.882 22.096 ( -10.199 21.662 -6.432) 24.792 24.153 ( 8.712 -3.371 8.238) 12.455 24.333 ( 8.133 -7.307 -11.370) 15.774 25.182 ( 9.701 -20.096 6.940) 23.369 25.296 ( 5.860 -20.939 -5.293) 22.378 ======================= Grid point 162 (57/72) ======================= q-point: ( 0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 10.782 17.341 5.082) 21.042 1.834 ( 11.451 11.442 9.303) 18.671 1.950 ( 1.792 13.281 -1.930) 13.540 2.095 ( -3.667 12.485 -5.440) 14.104 2.333 ( 0.542 6.881 -2.719) 7.419 2.437 ( -4.969 8.389 -8.242) 12.767 2.504 ( -7.909 10.174 1.967) 13.036 2.588 ( -12.590 8.026 -6.963) 16.475 2.965 ( -0.861 8.835 3.488) 9.538 2.967 ( -1.023 7.974 2.667) 8.471 3.177 ( 1.912 7.188 5.806) 9.435 3.217 ( -2.006 5.351 0.948) 5.793 3.377 ( 13.448 18.900 11.859) 26.052 3.514 ( 2.552 8.298 2.536) 9.044 3.534 ( 3.327 8.719 -4.585) 10.398 3.561 ( 1.337 9.741 -1.683) 9.975 3.635 ( 0.163 8.736 4.732) 9.937 3.722 ( -7.200 13.328 6.959) 16.670 3.865 ( 5.146 11.612 -6.901) 14.454 3.982 ( -4.379 9.918 -8.117) 13.543 4.356 ( 1.348 3.066 4.841) 5.887 4.407 ( -3.986 3.135 1.243) 5.221 4.828 ( 2.875 -1.535 -2.516) 4.117 4.877 ( -2.200 -1.661 -6.660) 7.207 5.864 ( 5.442 13.031 2.097) 14.276 5.912 ( 5.599 6.138 -2.850) 8.783 5.983 ( -3.945 20.615 1.258) 21.027 6.027 ( -2.973 12.178 -3.134) 12.921 6.194 ( 3.114 33.064 0.930) 33.223 6.212 ( 1.965 33.484 -1.143) 33.561 6.408 ( -3.402 6.547 2.492) 7.787 6.427 ( -4.799 7.841 0.384) 9.201 7.224 ( 3.845 2.340 1.418) 4.719 7.247 ( 1.739 2.103 -0.806) 2.845 7.523 ( 2.713 -0.996 0.657) 2.964 7.531 ( 1.903 0.929 -0.249) 2.132 7.791 ( 6.449 -1.507 -2.016) 6.923 7.808 ( 4.813 -2.745 -3.750) 6.690 8.038 ( -3.207 2.139 -0.007) 3.855 8.054 ( -3.413 1.987 -1.579) 4.253 8.291 ( -0.383 5.814 1.326) 5.975 8.318 ( -2.462 7.256 -1.520) 7.812 8.885 ( 2.935 1.287 1.114) 3.393 8.907 ( -0.486 -1.638 -0.169) 1.717 9.106 ( 10.239 14.753 0.386) 17.962 9.149 ( 8.627 13.066 -4.185) 16.207 9.331 ( -4.031 5.362 4.901) 8.308 9.377 ( -10.186 4.527 2.845) 11.504 9.470 ( 3.042 18.408 1.953) 18.759 9.576 ( -8.754 15.768 -6.429) 19.146 10.015 ( 2.993 14.564 3.920) 15.377 10.092 ( -4.121 15.334 -4.049) 16.386 10.385 ( -0.173 7.850 2.178) 8.148 10.427 ( -4.262 9.200 -1.898) 10.315 10.858 ( 2.694 -1.882 5.449) 6.364 10.917 ( -0.947 -0.948 -0.953) 1.644 11.071 ( -3.415 2.715 -2.705) 5.133 11.093 ( -4.620 2.252 -5.698) 7.674 11.503 ( -0.673 0.153 0.189) 0.716 11.562 ( -6.062 2.430 -6.512) 9.223 12.079 ( 2.995 1.781 11.009) 11.547 12.148 ( -3.577 2.360 7.728) 8.837 12.387 ( 2.755 -16.120 -5.623) 17.293 12.428 ( -0.971 -16.468 -6.476) 17.722 12.651 ( 1.050 -23.276 5.698) 23.986 12.671 ( -0.938 -24.709 3.553) 24.980 12.838 ( 4.848 -0.833 4.762) 6.847 12.876 ( 0.422 -1.224 3.216) 3.467 13.312 ( 4.222 -3.984 -10.063) 11.618 13.365 ( -1.078 -0.776 -12.997) 13.064 13.922 ( 2.314 -2.919 -2.862) 4.698 13.980 ( -3.463 -3.061 -8.839) 9.974 14.947 ( 9.806 4.223 7.934) 13.302 15.060 ( 2.586 6.627 -1.930) 7.371 15.431 ( -0.811 0.922 3.180) 3.409 15.582 ( -11.076 2.878 -10.693) 15.662 15.956 ( 3.965 12.468 7.803) 15.234 16.024 ( 0.535 13.629 0.087) 13.640 16.070 ( -0.885 1.643 9.296) 9.481 16.151 ( -6.100 3.499 -0.022) 7.032 17.746 ( 1.755 -18.971 3.758) 19.419 17.784 ( -1.941 -20.365 2.681) 20.632 17.832 ( 1.270 -22.694 -4.538) 23.178 17.853 ( -0.743 -24.022 -3.951) 24.356 19.136 ( 9.256 -6.390 23.255) 25.832 19.331 ( -8.991 -4.235 7.699) 12.571 20.239 ( 0.930 -10.088 -3.859) 10.841 20.397 ( -12.617 -10.017 -15.501) 22.356 21.807 ( -1.599 29.780 6.310) 30.483 21.847 ( -5.163 30.675 4.786) 31.473 21.929 ( 0.042 27.471 -4.728) 27.875 21.963 ( -3.665 27.318 -6.005) 28.209 24.319 ( 6.862 -7.767 4.500) 11.299 24.400 ( -0.924 -9.008 -4.072) 9.929 25.361 ( 6.310 -23.001 0.711) 23.861 25.395 ( 2.627 -22.869 -2.688) 23.175 ======================= Grid point 165 (58/72) ======================= q-point: ( 0.00 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.000 24.052 4.076) 24.395 1.972 ( 0.000 22.328 6.502) 23.255 2.157 ( 0.000 18.939 -9.244) 21.075 2.238 ( 0.000 18.570 -12.412) 22.336 2.755 ( 0.000 8.310 0.305) 8.316 2.767 ( 0.000 9.151 -0.934) 9.198 3.150 ( 0.000 5.065 5.245) 7.291 3.162 ( 0.000 5.866 3.002) 6.590 3.191 ( 0.000 3.301 4.923) 5.927 3.196 ( 0.000 9.415 4.026) 10.240 3.245 ( 0.000 6.882 -1.785) 7.109 3.313 ( 0.000 6.383 -5.524) 8.442 3.422 ( 0.000 4.092 1.986) 4.548 3.477 ( 0.000 1.627 -5.776) 6.001 3.563 ( 0.000 26.924 16.312) 31.480 3.664 ( 0.000 11.611 2.024) 11.786 3.808 ( 0.000 13.786 2.500) 14.011 3.945 ( 0.000 15.974 -7.790) 17.772 4.025 ( 0.000 8.861 7.231) 11.437 4.203 ( 0.000 13.207 -10.804) 17.063 4.457 ( 0.000 5.731 11.253) 12.628 4.666 ( 0.000 5.183 -11.119) 12.268 4.757 ( 0.000 2.204 5.911) 6.308 4.917 ( 0.000 -0.583 -9.848) 9.865 5.845 ( 0.000 4.654 -0.486) 4.679 5.854 ( 0.000 2.057 -1.286) 2.426 6.076 ( 0.000 -2.486 2.079) 3.241 6.104 ( 0.000 -1.025 -0.809) 1.306 6.737 ( 0.000 17.882 0.618) 17.892 6.754 ( 0.000 20.986 -1.242) 21.023 6.836 ( 0.000 15.323 1.017) 15.356 6.855 ( 0.000 13.364 -0.951) 13.397 7.143 ( 0.000 10.655 2.168) 10.873 7.177 ( 0.000 8.392 -1.646) 8.552 7.509 ( 0.000 7.404 7.484) 10.528 7.600 ( 0.000 1.525 1.979) 2.499 7.686 ( 0.000 13.319 -9.887) 16.587 7.713 ( 0.000 10.155 -8.088) 12.983 8.313 ( 0.000 4.192 3.394) 5.394 8.316 ( 0.000 5.485 3.495) 6.504 8.362 ( 0.000 11.426 0.493) 11.436 8.418 ( 0.000 5.422 -5.099) 7.443 8.906 ( 0.000 4.743 4.646) 6.640 8.963 ( 0.000 5.704 -2.063) 6.066 9.196 ( 0.000 16.874 4.005) 17.343 9.286 ( 0.000 17.497 -5.994) 18.495 9.648 ( 0.000 19.639 4.062) 20.055 9.693 ( 0.000 21.882 -0.637) 21.891 9.875 ( 0.000 6.704 2.564) 7.178 9.876 ( 0.000 7.741 2.812) 8.236 10.251 ( 0.000 14.210 11.298) 18.154 10.454 ( 0.000 13.554 -10.254) 16.996 10.597 ( 0.000 6.676 5.930) 8.929 10.714 ( 0.000 6.320 -0.498) 6.339 10.802 ( 0.000 0.456 -1.785) 1.842 10.911 ( 0.000 1.805 -8.557) 8.746 11.182 ( 0.000 -24.927 5.865) 25.608 11.284 ( 0.000 -4.168 3.743) 5.602 11.310 ( 0.000 -17.833 -7.395) 19.306 11.439 ( 0.000 -16.842 -12.032) 20.698 11.921 ( 0.000 -13.238 3.759) 13.761 11.979 ( 0.000 -20.965 -2.535) 21.117 12.399 ( 0.000 8.491 0.823) 8.531 12.419 ( 0.000 6.465 2.950) 7.106 12.434 ( 0.000 -6.134 22.776) 23.588 12.588 ( 0.000 9.959 5.908) 11.579 12.615 ( 0.000 5.693 -0.347) 5.703 12.917 ( 0.000 7.595 26.289) 27.364 12.991 ( 0.000 -3.828 -31.799) 32.028 13.482 ( 0.000 10.736 -33.336) 35.022 13.850 ( 0.000 -2.733 7.664) 8.137 14.035 ( 0.000 -3.089 -12.671) 13.042 14.681 ( 0.000 1.483 8.197) 8.330 14.862 ( 0.000 2.237 -10.695) 10.926 15.515 ( 0.000 -6.308 14.637) 15.938 15.785 ( 0.000 -2.534 -14.417) 14.638 16.086 ( 0.000 -1.468 6.624) 6.784 16.112 ( 0.000 -8.545 10.139) 13.259 16.132 ( 0.000 1.417 -0.315) 1.452 16.280 ( 0.000 -5.412 -6.560) 8.505 17.417 ( 0.000 -8.349 4.803) 9.632 17.543 ( 0.000 -8.137 5.110) 9.608 17.551 ( 0.000 1.726 -10.024) 10.172 17.641 ( 0.000 -5.255 -5.876) 7.883 18.811 ( 0.000 -5.187 31.125) 31.554 19.369 ( 0.000 -5.503 -29.393) 29.903 20.122 ( 0.000 -22.962 24.326) 33.452 20.426 ( 0.000 -18.066 -9.508) 20.416 22.311 ( 0.000 8.122 0.116) 8.123 22.316 ( 0.000 4.044 -0.435) 4.067 22.497 ( 0.000 18.772 1.236) 18.813 22.519 ( 0.000 17.582 -1.059) 17.614 24.130 ( 0.000 4.342 0.098) 4.343 24.161 ( 0.000 1.033 -3.472) 3.622 24.708 ( 0.000 -18.454 7.301) 19.846 24.819 ( 0.000 -20.678 -4.852) 21.240 ======================= Grid point 166 (59/72) ======================= q-point: ( 0.20 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 4.307 20.849 7.924) 22.716 2.041 ( 5.724 21.478 2.726) 22.394 2.208 ( 4.075 17.947 -7.692) 19.947 2.264 ( 2.960 15.834 -12.170) 20.189 2.701 ( -6.660 10.779 1.045) 12.713 2.720 ( -3.656 9.124 -1.209) 9.904 2.902 ( -13.057 7.151 5.759) 15.962 2.991 ( -12.296 6.697 -2.863) 14.292 3.170 ( -1.457 9.758 2.945) 10.296 3.229 ( -3.524 10.019 -2.365) 10.881 3.301 ( -0.978 6.082 1.782) 6.413 3.325 ( 0.095 3.409 -0.121) 3.413 3.460 ( 7.188 3.513 2.815) 8.482 3.514 ( 6.981 5.321 -1.559) 8.915 3.674 ( 6.408 21.326 11.922) 25.259 3.758 ( 6.019 13.118 1.686) 14.531 3.840 ( 0.953 12.676 2.708) 12.997 3.963 ( 2.500 12.458 -1.818) 12.836 4.035 ( 1.583 9.433 4.648) 10.634 4.218 ( 1.184 13.137 -9.886) 16.484 4.453 ( -0.284 6.052 9.747) 11.477 4.634 ( -3.611 7.595 -6.567) 10.670 4.764 ( 1.151 0.833 0.877) 1.670 4.894 ( -2.041 -0.558 -9.590) 9.820 5.873 ( 2.375 2.526 -0.550) 3.511 5.878 ( 2.250 1.372 -1.005) 2.821 6.092 ( 1.364 -2.368 1.265) 3.012 6.111 ( 0.593 -1.381 -0.706) 1.661 6.730 ( -1.690 19.048 0.883) 19.143 6.736 ( -2.244 17.052 0.113) 17.199 6.866 ( 3.762 22.256 1.372) 22.613 6.895 ( 2.855 20.280 -1.794) 20.558 7.172 ( 3.609 5.143 1.702) 6.510 7.204 ( 3.120 4.852 -1.750) 6.028 7.506 ( -0.264 6.206 6.858) 9.253 7.647 ( 1.533 4.447 -4.282) 6.361 7.663 ( 1.049 8.485 -2.455) 8.895 7.757 ( 4.213 8.738 -8.229) 12.721 8.251 ( -6.214 3.835 2.806) 7.823 8.281 ( -6.061 7.479 -0.821) 9.661 8.393 ( 5.930 11.760 4.650) 13.967 8.477 ( 5.574 10.839 -4.542) 13.008 8.933 ( 1.582 5.720 3.933) 7.120 8.973 ( 0.136 5.008 0.061) 5.010 9.254 ( 5.479 16.564 0.975) 17.474 9.292 ( 1.093 15.060 -2.940) 15.384 9.595 ( -4.594 15.819 3.035) 16.750 9.638 ( -5.441 11.991 -1.390) 13.241 9.830 ( 0.739 15.852 7.845) 17.702 9.952 ( 2.276 10.875 -4.262) 11.899 10.255 ( 0.364 15.229 10.531) 18.519 10.424 ( -1.295 14.453 -6.813) 16.031 10.546 ( -4.610 6.066 3.375) 8.333 10.666 ( -7.911 2.946 -8.353) 11.875 10.813 ( 3.772 1.670 7.193) 8.292 10.939 ( 2.575 0.757 -6.625) 7.148 11.178 ( -2.317 -15.192 2.514) 15.572 11.228 ( -3.939 -4.185 1.422) 5.920 11.279 ( -3.202 -13.690 -3.046) 14.385 11.395 ( -2.932 -24.061 -11.819) 26.967 11.912 ( -0.688 -13.149 4.147) 13.805 11.977 ( -0.072 -19.614 -2.404) 19.760 12.220 ( -9.228 -1.846 10.023) 13.748 12.323 ( -8.259 0.485 -1.882) 8.484 12.532 ( 1.945 8.885 11.509) 14.669 12.588 ( -1.001 11.034 8.059) 13.701 12.692 ( 6.554 1.098 3.010) 7.295 12.841 ( 0.034 -0.678 1.819) 1.941 13.169 ( 10.382 3.480 -9.143) 14.265 13.489 ( 0.036 9.392 -28.118) 29.645 13.841 ( -0.274 -2.843 4.056) 4.960 13.994 ( -3.655 -2.998 -12.073) 12.965 14.784 ( 9.379 1.676 8.737) 12.927 14.970 ( 9.830 2.558 -10.643) 14.712 15.477 ( -3.967 -5.356 13.874) 15.392 15.745 ( -4.570 -2.499 -14.732) 15.625 16.063 ( -1.950 -1.821 6.050) 6.612 16.085 ( -1.909 -4.338 9.732) 10.825 16.137 ( 0.294 -1.902 0.781) 2.077 16.255 ( -2.306 -4.416 -5.562) 7.467 17.420 ( 0.347 -8.144 4.521) 9.321 17.499 ( -2.400 -4.418 0.446) 5.048 17.587 ( 1.667 -3.114 -4.712) 5.889 17.639 ( -0.260 -4.923 -6.043) 7.799 18.858 ( 4.770 -5.580 30.571) 31.440 19.345 ( -3.375 -6.376 -18.071) 19.458 20.024 ( -6.932 -19.629 17.084) 26.930 20.338 ( -8.494 -17.471 -13.357) 23.575 22.269 ( -1.695 10.487 3.376) 11.147 22.336 ( 0.607 8.373 -3.798) 9.214 22.453 ( -4.414 19.606 1.737) 20.172 22.483 ( -2.695 18.814 -1.478) 19.064 24.132 ( 2.155 0.976 4.132) 4.761 24.225 ( 2.884 -3.345 -6.017) 7.464 24.783 ( 6.842 -19.065 5.489) 20.986 24.872 ( 4.460 -20.935 -4.124) 21.799 ======================= Grid point 167 (60/72) ======================= q-point: ( 0.40 0.21 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 7.375 14.745 7.813) 18.244 2.170 ( 4.812 17.562 -0.423) 18.215 2.240 ( 1.726 15.457 2.278) 15.719 2.366 ( 1.673 13.886 -8.612) 16.425 2.519 ( -5.131 11.504 1.690) 12.710 2.635 ( -5.891 10.729 -7.427) 14.317 2.729 ( -4.580 12.694 -0.597) 13.509 2.758 ( -8.273 9.685 -4.157) 13.399 3.156 ( -0.044 10.606 2.052) 10.802 3.170 ( -1.640 11.099 0.684) 11.240 3.288 ( 0.342 4.548 1.870) 4.930 3.308 ( -1.419 3.841 -0.370) 4.111 3.620 ( 7.846 6.163 2.707) 10.338 3.664 ( 6.782 5.315 -1.653) 8.774 3.742 ( -1.896 11.662 2.026) 11.987 3.759 ( -3.749 9.653 0.256) 10.359 3.901 ( 5.519 17.261 12.071) 21.774 3.985 ( -1.688 12.533 10.471) 16.419 4.121 ( 6.157 11.807 -2.336) 13.519 4.215 ( -2.467 12.734 -5.098) 13.936 4.463 ( 1.921 7.600 3.437) 8.559 4.537 ( -5.233 9.551 -1.600) 11.007 4.802 ( 2.374 -0.520 -5.037) 5.592 4.849 ( -2.382 -0.674 -8.251) 8.614 5.918 ( 1.856 -0.820 -0.202) 2.039 5.924 ( 1.515 -0.653 -0.835) 1.849 6.115 ( 0.689 -1.999 -0.128) 2.119 6.119 ( 0.146 -1.647 -0.557) 1.745 6.682 ( -1.876 17.862 1.423) 18.017 6.686 ( -2.075 16.676 1.012) 16.835 6.929 ( 1.692 30.770 -0.436) 30.820 6.935 ( 0.919 28.601 -1.139) 28.639 7.282 ( 5.777 2.807 1.406) 6.575 7.298 ( 4.607 2.377 -0.333) 5.194 7.501 ( 0.473 1.685 3.072) 3.536 7.572 ( -5.402 3.519 -4.460) 7.840 7.800 ( 8.283 2.703 0.785) 8.748 7.859 ( 4.466 7.339 -5.021) 9.951 8.101 ( -6.805 3.085 0.541) 7.491 8.131 ( -7.825 7.189 -2.381) 10.890 8.543 ( 7.575 18.286 3.526) 20.105 8.592 ( 3.778 18.752 -1.944) 19.227 8.928 ( -1.519 5.039 2.764) 5.945 8.944 ( -2.812 5.178 1.358) 6.047 9.329 ( 3.533 9.153 3.348) 10.367 9.371 ( 2.649 10.601 -1.650) 11.051 9.505 ( -2.290 12.660 1.393) 12.940 9.544 ( -3.533 11.410 -2.572) 12.219 9.877 ( 3.672 20.737 5.265) 21.708 9.952 ( -2.430 20.058 -2.140) 20.318 10.273 ( 2.621 5.767 4.566) 7.809 10.385 ( -6.169 7.148 -6.787) 11.628 10.477 ( -0.125 10.902 1.248) 10.974 10.515 ( -4.066 9.526 -2.915) 10.760 10.898 ( 4.317 1.020 7.145) 8.410 10.968 ( -1.258 -1.465 -0.086) 1.933 11.100 ( -2.468 -3.512 -0.999) 4.407 11.123 ( -5.193 0.882 -3.720) 6.449 11.277 ( 2.661 -21.524 -3.077) 21.905 11.341 ( -3.086 -24.267 -9.472) 26.233 11.916 ( 1.680 -11.887 5.629) 13.259 11.967 ( -1.918 -13.615 2.292) 13.939 12.095 ( -1.731 -8.435 3.414) 9.263 12.160 ( -6.981 -5.842 -1.637) 9.249 12.544 ( 0.175 9.109 9.039) 12.834 12.556 ( -1.294 9.244 9.151) 13.072 12.821 ( 5.290 -0.846 2.748) 6.021 12.870 ( 0.471 -0.876 0.245) 1.024 13.350 ( 7.610 5.794 -10.151) 13.947 13.459 ( -3.405 7.355 -17.646) 19.419 13.857 ( 1.932 -2.837 -3.773) 5.100 13.915 ( -3.813 -2.915 -9.349) 10.509 15.001 ( 11.425 1.858 9.716) 15.113 15.143 ( 1.902 2.297 -0.964) 3.134 15.411 ( 2.196 -2.257 1.012) 3.308 15.590 ( -10.764 -1.445 -13.997) 17.716 16.037 ( -0.205 -3.275 8.777) 9.371 16.052 ( -1.411 -4.681 10.414) 11.504 16.154 ( 1.731 -1.265 -1.972) 2.914 16.202 ( -2.844 -2.344 -3.874) 5.347 17.432 ( 0.890 -7.376 3.709) 8.304 17.457 ( -1.711 -5.921 2.315) 6.584 17.613 ( 1.080 -3.914 -5.466) 6.809 17.630 ( -0.636 -4.384 -6.038) 7.489 18.998 ( 9.311 -6.669 27.012) 29.340 19.204 ( -10.356 -7.612 11.956) 17.554 19.979 ( 3.583 -14.998 -6.952) 16.915 20.134 ( -10.684 -15.373 -16.734) 25.110 22.270 ( 1.965 15.841 4.425) 16.564 22.333 ( -2.905 15.411 0.147) 15.683 22.380 ( -0.055 18.159 -1.030) 18.188 22.423 ( -3.116 18.231 -3.209) 18.772 24.194 ( 3.343 -4.324 2.818) 6.149 24.241 ( -1.088 -6.328 -2.199) 6.787 24.914 ( 4.878 -20.878 1.186) 21.473 24.945 ( 1.753 -21.482 -1.987) 21.645 ======================= Grid point 170 (61/72) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 0.000 20.966 0.939) 20.987 2.403 ( 0.000 20.718 2.561) 20.875 2.516 ( 0.000 15.673 -4.634) 16.344 2.562 ( 0.000 13.032 -6.662) 14.636 2.926 ( 0.000 8.817 0.460) 8.829 2.950 ( 0.000 9.420 -2.162) 9.665 3.204 ( 0.000 -0.015 8.641) 8.641 3.240 ( 0.000 3.076 2.018) 3.679 3.258 ( 0.000 3.339 0.755) 3.423 3.343 ( 0.000 1.574 -6.406) 6.597 3.385 ( 0.000 9.070 4.058) 9.937 3.402 ( 0.000 4.751 2.265) 5.263 3.524 ( 0.000 5.434 -1.288) 5.585 3.541 ( 0.000 4.991 -4.298) 6.586 3.884 ( 0.000 9.687 7.630) 12.331 3.974 ( 0.000 12.859 -1.403) 12.936 4.134 ( 0.000 13.278 3.336) 13.691 4.154 ( 0.000 5.423 0.183) 5.426 4.181 ( 0.000 12.577 14.979) 19.559 4.467 ( 0.000 11.522 -12.909) 17.303 4.631 ( 0.000 12.289 10.113) 15.915 4.769 ( 0.000 4.692 -6.937) 8.375 4.841 ( 0.000 5.999 -1.791) 6.261 4.936 ( 0.000 2.902 -8.739) 9.208 5.881 ( 0.000 1.189 3.367) 3.570 5.925 ( 0.000 3.613 -1.264) 3.827 6.028 ( 0.000 -1.572 0.041) 1.572 6.062 ( 0.000 -2.091 -4.048) 4.556 6.909 ( 0.000 3.869 2.196) 4.448 6.969 ( 0.000 5.321 -4.062) 6.694 7.033 ( 0.000 7.052 -0.552) 7.073 7.036 ( 0.000 6.662 -0.728) 6.702 7.363 ( 0.000 6.543 5.325) 8.436 7.436 ( 0.000 13.567 -1.608) 13.662 7.675 ( 0.000 8.476 8.791) 12.211 7.720 ( 0.000 10.541 8.688) 13.660 7.921 ( 0.000 9.089 -11.150) 14.385 7.981 ( 0.000 15.881 -12.787) 20.390 8.394 ( 0.000 2.672 13.641) 13.900 8.456 ( 0.000 8.910 2.712) 9.313 8.556 ( 0.000 9.313 -5.055) 10.597 8.596 ( 0.000 10.503 -5.418) 11.818 9.092 ( 0.000 13.143 3.697) 13.653 9.116 ( 0.000 9.562 0.971) 9.611 9.485 ( 0.000 10.486 3.765) 11.141 9.562 ( 0.000 7.763 -5.490) 9.508 9.921 ( 0.000 5.717 5.029) 7.614 9.986 ( 0.000 4.023 -1.848) 4.427 10.028 ( 0.000 6.390 6.028) 8.785 10.157 ( 0.000 16.577 -6.216) 17.704 10.459 ( 0.000 -8.117 7.276) 10.901 10.586 ( 0.000 -1.543 -1.170) 1.936 10.622 ( 0.000 -28.575 -4.888) 28.990 10.676 ( 0.000 -7.828 -1.914) 8.058 10.792 ( 0.000 6.254 -1.384) 6.405 10.812 ( 0.000 3.379 -3.027) 4.536 10.977 ( 0.000 11.415 -0.114) 11.416 10.982 ( 0.000 14.814 0.905) 14.842 11.176 ( 0.000 -4.288 3.964) 5.840 11.369 ( 0.000 5.367 -11.301) 12.511 11.758 ( 0.000 -2.422 2.000) 3.141 11.826 ( 0.000 3.391 -2.756) 4.370 12.282 ( 0.000 -9.151 19.156) 21.230 12.540 ( 0.000 5.511 5.890) 8.066 12.568 ( 0.000 -1.349 -4.910) 5.092 12.617 ( 0.000 2.515 -6.828) 7.276 12.866 ( 0.000 14.979 5.092) 15.821 13.030 ( 0.000 6.363 -15.251) 16.526 13.146 ( 0.000 14.333 27.802) 31.279 13.673 ( 0.000 7.945 -26.974) 28.120 13.798 ( 0.000 -2.485 7.453) 7.857 13.958 ( 0.000 -4.738 -8.420) 9.661 14.771 ( 0.000 7.980 2.040) 8.237 14.901 ( 0.000 1.849 -9.424) 9.603 15.389 ( 0.000 -5.700 15.993) 16.978 15.707 ( 0.000 -4.398 -18.023) 18.552 15.859 ( 0.000 -14.657 9.098) 17.251 15.998 ( 0.000 -6.759 2.512) 7.210 16.032 ( 0.000 -9.355 -8.515) 12.650 16.094 ( 0.000 -11.905 -8.454) 14.601 17.435 ( 0.000 6.756 13.557) 15.147 17.501 ( 0.000 2.658 8.622) 9.023 17.576 ( 0.000 -0.239 1.324) 1.345 17.693 ( 0.000 8.253 -14.647) 16.812 18.760 ( 0.000 0.319 24.391) 24.393 19.248 ( 0.000 -6.084 -27.371) 28.039 19.682 ( 0.000 -20.502 26.671) 33.640 20.046 ( 0.000 -19.484 -13.288) 23.584 22.297 ( 0.000 -3.569 2.098) 4.140 22.345 ( 0.000 -2.619 -3.094) 4.054 22.771 ( 0.000 6.340 0.948) 6.410 22.786 ( 0.000 8.147 -0.681) 8.176 24.195 ( 0.000 1.319 0.034) 1.320 24.204 ( 0.000 2.617 -0.843) 2.750 24.387 ( 0.000 -12.694 3.766) 13.240 24.448 ( 0.000 -15.746 -2.842) 16.000 ======================= Grid point 171 (62/72) ======================= q-point: ( 0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -0.088 19.369 4.932) 19.987 2.449 ( 3.186 19.173 -1.176) 19.472 2.532 ( -0.711 12.908 -2.323) 13.134 2.558 ( 1.820 13.304 -7.326) 15.296 2.876 ( -5.672 7.807 1.641) 9.789 2.914 ( -3.087 9.380 -2.604) 10.212 3.053 ( -6.433 8.025 5.248) 11.547 3.131 ( -7.774 7.257 -2.462) 10.915 3.342 ( -0.551 5.495 1.812) 5.812 3.367 ( 1.837 1.701 -0.120) 2.506 3.393 ( 0.063 6.742 0.439) 6.756 3.410 ( -1.005 5.052 -2.106) 5.565 3.540 ( 5.640 5.451 2.512) 8.236 3.595 ( 5.788 3.739 -3.096) 7.554 3.979 ( 5.274 10.559 5.260) 12.922 4.017 ( 1.627 9.054 1.586) 9.335 4.090 ( -2.973 6.081 4.100) 7.914 4.141 ( 2.113 6.725 2.207) 7.386 4.219 ( 2.509 14.310 13.283) 19.685 4.488 ( 0.849 11.948 -13.410) 17.981 4.609 ( -1.110 9.552 11.827) 15.243 4.780 ( 0.844 6.270 -8.193) 10.352 4.838 ( -0.538 7.513 -2.152) 7.834 4.923 ( -1.265 3.901 -8.901) 9.800 5.883 ( 0.263 0.200 2.994) 3.012 5.920 ( -0.442 1.855 -0.942) 2.127 6.042 ( 1.122 -1.916 -0.763) 2.348 6.064 ( 0.173 -2.246 -3.383) 4.064 6.942 ( 1.030 6.095 0.993) 6.261 6.965 ( 1.029 7.186 -1.118) 7.345 7.093 ( 7.779 5.689 3.045) 10.107 7.160 ( 8.865 7.990 -3.838) 12.536 7.274 ( -4.427 4.536 6.154) 8.834 7.405 ( -4.106 10.279 -6.935) 13.062 7.695 ( 1.627 9.373 9.759) 13.628 7.760 ( 3.241 10.151 7.035) 12.768 7.899 ( -2.626 12.143 -6.775) 14.151 8.005 ( 2.214 14.746 -12.346) 19.359 8.301 ( -6.178 2.023 9.749) 11.717 8.451 ( -4.838 9.725 -4.931) 11.929 8.637 ( 10.771 10.717 3.984) 15.708 8.723 ( 9.616 12.105 -3.530) 15.858 9.109 ( 0.079 9.762 3.292) 10.303 9.126 ( 1.609 11.595 2.171) 11.906 9.512 ( 2.209 8.621 0.383) 8.908 9.553 ( 0.288 9.454 -3.172) 9.976 9.862 ( -7.285 9.202 3.775) 12.329 9.917 ( -3.248 11.374 -0.468) 11.838 10.074 ( 3.770 1.133 1.176) 4.109 10.101 ( -3.745 10.344 -0.815) 11.032 10.498 ( 1.072 -6.524 5.823) 8.811 10.566 ( -0.810 -8.676 0.505) 8.728 10.601 ( -1.547 -24.721 -4.211) 25.125 10.696 ( -3.320 -5.809 -10.617) 12.549 10.782 ( -0.429 2.692 4.170) 4.983 10.845 ( 2.689 6.820 -1.827) 7.555 10.891 ( -6.939 6.808 -1.238) 9.800 10.921 ( -1.883 9.655 -3.499) 10.440 11.168 ( -0.409 2.538 7.926) 8.332 11.346 ( -3.240 9.114 -7.730) 12.382 11.782 ( 2.697 -2.485 -1.002) 3.801 11.809 ( -0.947 2.087 -1.875) 2.961 12.169 ( -9.145 -4.570 14.191) 17.490 12.358 ( -10.877 0.514 -4.375) 11.735 12.679 ( 5.588 5.068 3.768) 8.433 12.728 ( 6.424 -0.506 0.220) 6.448 12.849 ( -2.073 12.933 3.708) 13.613 12.892 ( -5.943 8.907 5.340) 11.966 13.311 ( 9.907 9.585 6.394) 15.195 13.651 ( -2.180 5.872 -15.829) 17.024 13.808 ( 1.216 0.222 -2.804) 3.064 13.935 ( -2.128 -3.021 -9.900) 10.567 14.858 ( 8.210 6.418 4.681) 11.423 15.011 ( 9.851 1.700 -9.466) 13.767 15.368 ( -2.049 -4.908 14.947) 15.865 15.671 ( -3.850 -4.196 -16.866) 17.801 15.863 ( 0.248 -13.819 8.276) 16.110 15.967 ( -2.843 -7.505 2.956) 8.552 16.025 ( -0.565 -8.931 -7.970) 11.983 16.077 ( -1.475 -11.761 -9.406) 15.132 17.437 ( 0.294 6.521 12.914) 14.470 17.491 ( -0.970 3.157 9.061) 9.644 17.584 ( 0.817 0.389 -0.198) 0.926 17.679 ( -1.376 7.142 -13.133) 15.012 18.795 ( 3.538 -0.438 24.512) 24.770 19.210 ( -4.581 -6.603 -12.681) 15.013 19.648 ( -1.634 -17.554 13.966) 22.492 19.977 ( -6.528 -18.302 -15.363) 24.771 22.333 ( 3.562 -1.943 2.460) 4.745 22.386 ( 3.846 -1.714 -3.213) 5.297 22.722 ( -4.588 6.228 1.748) 7.930 22.750 ( -3.613 7.109 -1.268) 8.074 24.164 ( -1.688 1.438 1.051) 2.454 24.183 ( -1.576 -1.690 -1.012) 2.523 24.467 ( 6.093 -12.015 2.137) 13.640 24.506 ( 4.610 -15.076 -2.054) 15.898 ======================= Grid point 172 (63/72) ======================= q-point: ( 0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 2.456 14.937 6.012) 16.287 2.461 ( -3.437 12.253 1.123) 12.775 2.545 ( 4.690 14.490 0.205) 15.232 2.616 ( 0.857 10.909 -6.909) 12.941 2.759 ( -2.295 12.033 1.087) 12.298 2.833 ( -5.582 9.180 -6.061) 12.336 2.977 ( -1.608 12.280 0.254) 12.387 2.999 ( -4.139 13.188 -1.966) 13.962 3.343 ( 0.859 5.834 1.833) 6.175 3.368 ( -1.223 3.550 0.859) 3.852 3.383 ( -0.397 8.480 -1.684) 8.654 3.387 ( -0.482 7.202 -0.401) 7.229 3.700 ( 8.285 2.666 2.311) 9.005 3.731 ( 6.335 1.838 -1.029) 6.676 3.929 ( -6.028 6.280 1.112) 8.775 3.931 ( -6.165 7.038 0.476) 9.369 4.188 ( 5.235 9.076 8.462) 13.468 4.221 ( 2.466 11.425 9.144) 14.840 4.282 ( 6.094 5.734 7.482) 11.225 4.430 ( -6.484 7.543 -1.148) 10.013 4.652 ( 4.985 11.180 1.380) 12.319 4.754 ( -4.261 11.506 -4.322) 13.009 4.846 ( 1.998 5.994 -7.513) 9.817 4.890 ( -2.050 5.421 -9.242) 10.909 5.894 ( 0.799 -1.162 1.845) 2.322 5.909 ( -0.676 -0.718 0.182) 1.003 6.060 ( 0.604 -2.711 -1.752) 3.284 6.066 ( -0.050 -2.635 -2.442) 3.593 6.943 ( 0.220 9.887 2.993) 10.333 6.965 ( -1.606 11.174 1.373) 11.372 7.219 ( 3.109 1.823 0.838) 3.700 7.282 ( -1.920 5.666 -4.884) 7.723 7.333 ( 9.848 4.820 2.042) 11.152 7.382 ( 5.146 6.859 -3.373) 9.214 7.691 ( -1.623 14.252 3.814) 14.843 7.750 ( -6.685 12.484 -2.293) 14.346 7.903 ( 6.472 7.977 8.380) 13.257 8.030 ( -2.871 8.144 0.710) 8.665 8.211 ( 0.378 8.606 -2.407) 8.945 8.318 ( -7.678 11.068 -8.313) 15.829 8.879 ( 11.503 12.125 4.747) 17.374 8.928 ( 10.445 13.628 -0.201) 17.172 9.059 ( -4.675 6.874 6.264) 10.409 9.125 ( -4.610 12.395 -0.882) 13.254 9.543 ( 2.396 12.197 1.180) 12.486 9.586 ( -0.059 10.000 -3.806) 10.700 9.754 ( -1.253 11.038 2.336) 11.352 9.823 ( -5.680 15.616 -3.796) 17.045 10.106 ( 7.077 0.598 6.626) 9.713 10.214 ( 9.540 1.053 -4.788) 10.725 10.359 ( -12.264 6.684 7.002) 15.624 10.480 ( -12.578 2.862 -4.808) 13.766 10.603 ( 1.235 -16.983 -2.405) 17.197 10.613 ( 0.129 -18.768 -4.120) 19.215 10.731 ( -1.725 -20.419 -2.944) 20.702 10.755 ( -3.948 -17.314 -4.590) 18.342 10.972 ( 5.909 16.522 -0.126) 17.547 10.985 ( 5.160 20.001 -1.821) 20.736 11.150 ( -0.707 8.867 7.040) 11.344 11.233 ( -7.408 11.027 -1.097) 13.329 11.817 ( 3.059 -0.519 1.998) 3.690 11.869 ( 2.854 -0.399 -3.119) 4.246 12.009 ( -3.330 -2.230 6.762) 7.861 12.136 ( -11.028 0.520 -5.481) 12.326 12.744 ( 1.136 7.655 10.043) 12.679 12.773 ( -2.506 10.701 10.831) 15.431 12.832 ( 3.719 1.519 1.627) 4.334 12.869 ( 0.026 3.158 0.056) 3.159 13.482 ( 7.173 6.792 -1.131) 9.943 13.591 ( -4.017 5.173 -6.338) 9.115 13.841 ( 1.988 1.632 -10.306) 10.622 13.886 ( -2.540 0.051 -11.179) 11.464 15.049 ( 9.831 3.631 8.664) 13.597 15.176 ( 0.819 1.655 2.420) 3.044 15.357 ( 5.455 -2.985 -0.849) 6.276 15.542 ( -9.257 -3.016 -13.937) 17.001 15.871 ( 0.840 -11.765 7.203) 13.820 15.906 ( -2.762 -9.239 4.948) 10.838 16.023 ( 0.615 -9.715 -9.023) 13.273 16.046 ( -1.522 -10.970 -10.085) 14.978 17.448 ( 0.788 5.766 11.460) 12.853 17.468 ( -1.195 4.474 10.054) 11.069 17.608 ( 1.584 2.020 -4.071) 4.813 17.644 ( -1.966 4.543 -9.036) 10.303 18.900 ( 7.122 -2.643 23.194) 24.406 19.065 ( -8.983 -5.604 13.690) 17.306 19.679 ( 4.981 -14.588 -9.502) 18.108 19.820 ( -8.477 -15.753 -16.911) 24.617 22.425 ( 5.137 0.864 2.371) 5.723 22.468 ( 2.818 0.417 -2.269) 3.642 22.624 ( -3.536 5.303 1.966) 6.671 22.658 ( -4.968 5.209 -1.723) 7.402 24.148 ( 0.028 -0.746 0.815) 1.105 24.158 ( -0.903 -2.281 -0.243) 2.466 24.568 ( 3.283 -13.740 0.434) 14.134 24.580 ( 2.013 -14.823 -0.849) 14.983 ======================= Grid point 175 (64/72) ======================= q-point: ( 0.00 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( 0.000 6.910 -0.364) 6.920 2.720 ( 0.000 7.100 -0.955) 7.164 2.783 ( 0.000 14.201 -1.043) 14.240 2.793 ( 0.000 16.223 -2.552) 16.423 3.094 ( 0.000 7.265 0.638) 7.293 3.122 ( 0.000 6.158 -1.556) 6.351 3.197 ( 0.000 0.411 5.829) 5.843 3.280 ( 0.000 -1.569 -0.915) 1.816 3.299 ( 0.000 3.465 1.964) 3.983 3.351 ( 0.000 1.615 -4.743) 5.011 3.510 ( 0.000 5.400 3.968) 6.701 3.539 ( 0.000 6.097 2.093) 6.447 3.621 ( 0.000 3.990 -0.439) 4.014 3.641 ( 0.000 4.069 -1.920) 4.500 3.989 ( 0.000 0.334 8.285) 8.292 4.071 ( 0.000 -1.464 -0.564) 1.569 4.256 ( 0.000 6.544 2.164) 6.892 4.301 ( 0.000 8.577 -2.579) 8.956 4.516 ( 0.000 14.419 9.216) 17.113 4.644 ( 0.000 7.168 -4.864) 8.663 4.853 ( 0.000 4.201 1.257) 4.385 4.865 ( 0.000 8.623 7.264) 11.275 4.985 ( 0.000 8.595 -10.413) 13.502 5.026 ( 0.000 5.534 -8.136) 9.840 5.919 ( 0.000 2.834 5.984) 6.621 5.979 ( 0.000 1.585 1.367) 2.093 6.022 ( 0.000 0.665 -2.519) 2.605 6.049 ( 0.000 1.053 -7.502) 7.575 6.988 ( 0.000 5.001 3.769) 6.262 7.076 ( 0.000 5.885 -5.419) 8.000 7.157 ( 0.000 6.028 -0.268) 6.034 7.167 ( 0.000 6.832 -1.251) 6.946 7.450 ( 0.000 3.856 12.237) 12.830 7.633 ( 0.000 6.899 -6.606) 9.552 7.816 ( 0.000 5.466 8.612) 10.200 7.950 ( 0.000 11.242 9.951) 15.014 8.032 ( 0.000 2.469 -5.520) 6.047 8.287 ( 0.000 13.536 -17.771) 22.339 8.414 ( 0.000 0.201 18.732) 18.734 8.658 ( 0.000 9.787 6.402) 11.695 8.749 ( 0.000 5.624 -14.880) 15.907 8.800 ( 0.000 14.486 -6.917) 16.053 9.308 ( 0.000 8.400 5.537) 10.060 9.316 ( 0.000 6.204 1.788) 6.456 9.557 ( 0.000 -6.694 -1.870) 6.950 9.624 ( 0.000 6.345 -4.638) 7.860 9.912 ( 0.000 -24.245 2.131) 24.339 9.952 ( 0.000 -4.431 3.362) 5.562 9.994 ( 0.000 -7.730 2.991) 8.288 9.996 ( 0.000 -8.237 -2.287) 8.548 10.033 ( 0.000 -19.396 -6.578) 20.481 10.174 ( 0.000 -9.888 -9.802) 13.923 10.763 ( 0.000 9.199 2.382) 9.502 10.784 ( 0.000 13.439 -0.155) 13.440 11.023 ( 0.000 9.653 3.745) 10.354 11.029 ( 0.000 10.010 16.791) 19.548 11.132 ( 0.000 3.713 -6.770) 7.722 11.221 ( 0.000 15.673 -2.870) 15.933 11.390 ( 0.000 19.191 7.524) 20.613 11.619 ( 0.000 6.342 -16.478) 17.657 11.859 ( 0.000 19.608 7.524) 21.002 11.979 ( 0.000 6.827 2.159) 7.160 12.117 ( 0.000 -1.758 3.056) 3.526 12.346 ( 0.000 -13.991 -14.727) 20.313 12.659 ( 0.000 6.507 9.956) 11.893 12.772 ( 0.000 7.255 -1.922) 7.505 13.095 ( 0.000 7.613 3.893) 8.551 13.132 ( 0.000 2.932 -1.769) 3.424 13.434 ( 0.000 12.997 19.269) 23.242 13.748 ( 0.000 -2.680 -8.880) 9.276 13.748 ( 0.000 -2.702 6.618) 7.148 13.883 ( 0.000 -0.857 -8.941) 8.982 14.946 ( 0.000 3.009 -0.734) 3.098 14.991 ( 0.000 13.448 -5.745) 14.624 15.305 ( 0.000 -3.142 16.520) 16.816 15.585 ( 0.000 -11.906 6.636) 13.631 15.632 ( 0.000 -3.301 -15.595) 15.941 15.841 ( 0.000 -8.927 -14.857) 17.332 15.861 ( 0.000 -6.050 -6.839) 9.131 15.864 ( 0.000 -10.004 -12.939) 16.356 17.578 ( 0.000 5.788 12.776) 14.025 17.592 ( 0.000 1.583 9.990) 10.114 17.599 ( 0.000 6.685 11.414) 13.228 17.832 ( 0.000 4.846 -10.951) 11.975 18.822 ( 0.000 5.474 13.070) 14.170 19.148 ( 0.000 -3.684 -20.948) 21.270 19.342 ( 0.000 -13.166 22.581) 26.139 19.679 ( 0.000 -17.077 -13.781) 21.944 22.215 ( 0.000 -4.078 2.062) 4.570 22.262 ( 0.000 -4.765 -3.111) 5.691 22.767 ( 0.000 -5.571 2.539) 6.122 22.808 ( 0.000 -4.993 -1.920) 5.349 24.148 ( 0.000 -5.138 1.911) 5.482 24.183 ( 0.000 -6.194 -1.847) 6.464 24.263 ( 0.000 -1.496 0.350) 1.536 24.267 ( 0.000 -0.820 -0.104) 0.826 ======================= Grid point 176 (65/72) ======================= q-point: ( 0.20 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.679 ( -1.657 7.904 2.521) 8.460 2.736 ( -1.166 9.022 -1.435) 9.210 2.771 ( 0.445 11.775 -1.130) 11.838 2.797 ( 0.212 14.823 -3.294) 15.186 3.020 ( -4.278 6.269 2.101) 7.875 3.071 ( -4.049 5.955 -3.543) 8.026 3.207 ( -0.467 6.884 4.389) 8.177 3.266 ( -1.457 6.368 -0.970) 6.604 3.361 ( 2.986 -0.566 -0.610) 3.099 3.372 ( 2.902 -1.924 -2.824) 4.483 3.504 ( -0.529 5.057 3.922) 6.422 3.538 ( -0.146 5.713 0.644) 5.751 3.654 ( 3.244 4.732 -0.029) 5.738 3.664 ( 3.206 3.110 -1.195) 4.624 4.024 ( 0.836 -3.838 6.027) 7.194 4.069 ( -1.235 -2.536 0.773) 2.925 4.226 ( -0.151 9.019 4.713) 10.178 4.297 ( 0.711 8.510 -1.622) 8.692 4.497 ( -1.922 10.923 9.778) 14.785 4.660 ( -1.910 5.801 -8.748) 10.669 4.791 ( 0.577 8.962 10.391) 13.734 4.942 ( 3.069 8.852 -1.459) 9.482 4.999 ( 1.435 7.608 -9.474) 12.235 5.033 ( 0.172 6.557 -7.350) 9.852 5.904 ( -1.154 2.169 4.776) 5.371 5.953 ( -2.478 1.651 0.786) 3.079 6.015 ( -0.162 -0.885 -2.770) 2.912 6.046 ( -0.604 0.225 -5.580) 5.617 7.040 ( 4.158 4.817 1.886) 6.637 7.080 ( 2.027 4.950 -2.174) 5.774 7.222 ( 6.217 7.757 3.662) 10.594 7.303 ( 9.240 7.405 -5.260) 12.957 7.356 ( -4.902 4.073 10.245) 12.065 7.550 ( -7.044 4.814 -10.296) 13.372 7.840 ( 3.065 6.330 14.244) 15.886 7.986 ( 2.167 10.323 5.517) 11.903 8.083 ( 1.259 5.578 -0.086) 5.719 8.274 ( -3.087 9.931 -1.007) 10.448 8.354 ( -1.154 5.131 -0.099) 5.260 8.643 ( -5.864 7.678 -15.494) 18.260 8.816 ( 12.190 8.234 6.577) 16.114 8.935 ( 8.338 9.889 -4.767) 13.785 9.275 ( -2.866 6.372 7.325) 10.123 9.345 ( 1.317 6.679 -1.290) 6.929 9.587 ( 4.157 -4.270 -1.889) 6.252 9.642 ( 2.672 4.307 -5.102) 7.192 9.866 ( -2.981 -14.320 0.812) 14.650 9.936 ( -2.389 -5.169 -2.280) 6.134 9.994 ( 0.836 -18.314 1.002) 18.361 10.033 ( 5.559 -8.408 3.641) 10.717 10.120 ( 5.628 -13.520 -5.372) 15.599 10.173 ( 0.832 -6.027 -6.662) 9.022 10.591 ( -13.515 11.526 3.130) 18.036 10.639 ( -12.022 4.914 -2.612) 13.247 10.909 ( -12.662 2.565 5.803) 14.163 11.002 ( -11.315 1.584 -3.849) 12.056 11.167 ( 8.906 16.118 10.496) 21.196 11.289 ( 7.069 21.103 0.453) 22.260 11.437 ( 3.641 19.077 6.580) 20.506 11.657 ( 3.475 9.247 -17.561) 20.148 11.787 ( -5.458 9.019 9.440) 14.151 11.939 ( -3.881 9.614 -3.755) 11.027 12.076 ( -4.212 -1.055 6.328) 7.674 12.285 ( -5.903 -6.533 -11.483) 14.470 12.743 ( 6.757 3.510 5.372) 9.319 12.793 ( 2.311 5.928 0.606) 6.392 13.044 ( -6.260 5.354 4.303) 9.294 13.054 ( -3.528 6.811 3.561) 8.457 13.513 ( 5.703 9.733 13.467) 17.568 13.698 ( -1.704 -0.323 4.198) 4.542 13.824 ( 3.787 -2.320 -6.976) 8.270 13.886 ( 0.345 -0.205 -9.710) 9.718 15.030 ( 6.767 6.605 -0.704) 9.482 15.057 ( 7.198 6.862 -2.758) 10.320 15.299 ( -0.665 -2.338 15.903) 16.088 15.577 ( -1.525 -7.903 -3.238) 8.676 15.620 ( -0.712 -7.068 -4.655) 8.493 15.810 ( -3.099 -7.318 -9.300) 12.233 15.844 ( -1.267 -8.835 -10.420) 13.720 15.857 ( -0.611 -8.437 -17.197) 19.165 17.574 ( -0.292 5.628 13.328) 14.470 17.582 ( -0.481 4.761 9.854) 10.954 17.621 ( 1.719 3.694 9.047) 9.922 17.804 ( -2.731 4.410 -8.622) 10.062 18.842 ( 2.044 4.822 13.537) 14.515 19.106 ( -4.214 -3.414 -5.189) 7.506 19.356 ( 1.848 -11.484 6.785) 13.466 19.635 ( -4.213 -15.838 -14.577) 21.933 22.261 ( 4.457 -4.284 2.231) 6.572 22.310 ( 4.513 -4.909 -3.134) 7.368 22.715 ( -4.856 -5.482 2.741) 7.820 22.759 ( -4.697 -5.172 -2.005) 7.268 24.135 ( -0.620 -2.859 1.579) 3.325 24.164 ( -1.315 -1.913 -1.456) 2.740 24.300 ( 3.355 -5.684 0.893) 6.661 24.315 ( 3.224 -4.194 -0.718) 5.339 ======================= Grid point 177 (66/72) ======================= q-point: ( 0.40 0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( 0.128 10.060 4.344) 10.959 2.688 ( -2.456 12.087 3.391) 12.792 2.795 ( 1.011 7.482 -5.186) 9.159 2.801 ( 0.168 11.152 -4.372) 11.980 2.970 ( -0.496 8.918 0.744) 8.963 2.998 ( -2.993 7.314 -2.398) 8.259 3.196 ( 0.123 9.025 1.105) 9.093 3.223 ( -2.341 8.861 -1.495) 9.286 3.402 ( 1.548 0.768 0.469) 1.791 3.415 ( 0.574 2.210 -0.608) 2.363 3.505 ( 0.719 3.017 1.371) 3.391 3.525 ( -1.063 4.405 -0.582) 4.569 3.751 ( 5.440 2.638 0.785) 6.097 3.758 ( 5.142 1.484 0.019) 5.352 3.961 ( -4.622 -2.751 2.035) 5.751 3.983 ( -6.142 -1.759 -0.418) 6.403 4.335 ( 8.654 6.666 6.546) 12.735 4.358 ( 5.312 6.079 4.257) 9.127 4.439 ( -3.920 7.657 8.875) 12.360 4.533 ( -9.086 4.125 1.316) 10.065 4.882 ( 6.017 11.144 0.242) 12.667 4.970 ( -1.507 9.983 -4.718) 11.145 5.016 ( 0.438 9.192 -6.506) 11.270 5.029 ( -0.196 7.220 -7.995) 10.774 5.889 ( -0.095 0.928 2.890) 3.037 5.906 ( -1.855 0.602 1.270) 2.327 6.017 ( 0.344 -1.629 -2.774) 3.235 6.029 ( -0.873 -1.205 -3.831) 4.110 7.099 ( 2.595 6.151 4.040) 7.804 7.146 ( 0.039 7.159 1.392) 7.293 7.231 ( 1.600 1.112 2.013) 2.801 7.324 ( -4.191 1.803 -4.783) 6.610 7.497 ( 7.923 9.804 0.061) 12.605 7.531 ( 5.591 8.665 -3.289) 10.824 7.899 ( 2.142 6.962 8.173) 10.948 7.963 ( -4.642 8.725 0.373) 9.890 8.080 ( 1.350 7.413 11.882) 14.069 8.166 ( -6.318 6.388 13.676) 16.364 8.406 ( 4.976 9.185 -15.636) 18.804 8.523 ( -6.377 8.166 -16.637) 19.600 9.036 ( 8.696 5.445 6.125) 11.949 9.117 ( 9.773 5.944 -1.290) 11.511 9.187 ( -5.161 4.950 7.085) 10.067 9.305 ( -6.088 4.064 -4.979) 8.853 9.712 ( 3.687 -1.309 -2.170) 4.474 9.731 ( 4.266 2.481 -3.696) 6.165 9.839 ( 3.666 -5.736 2.014) 7.099 9.953 ( -0.259 -8.672 -8.793) 12.353 10.019 ( 6.902 -7.813 6.442) 12.255 10.139 ( 6.274 -10.699 -3.429) 12.868 10.230 ( 0.781 -4.804 4.104) 6.367 10.263 ( 5.606 -0.635 -0.586) 5.673 10.309 ( -9.674 2.647 -2.061) 10.239 10.378 ( -12.985 -2.388 -6.496) 14.715 10.635 ( -9.996 -0.369 3.401) 10.565 10.720 ( -14.555 1.663 -5.255) 15.564 11.350 ( 8.802 13.795 12.097) 20.350 11.424 ( 4.212 17.870 5.719) 19.230 11.501 ( 2.534 23.778 6.469) 24.772 11.601 ( -7.413 21.851 1.394) 23.116 11.810 ( 4.833 -2.432 -7.881) 9.559 11.870 ( -2.287 3.517 -9.173) 10.087 11.995 ( -0.624 2.045 4.216) 4.727 12.123 ( -9.729 -0.759 -8.845) 13.170 12.857 ( 3.777 5.215 4.676) 7.958 12.873 ( 5.778 3.401 2.740) 7.243 12.938 ( -4.281 6.002 7.286) 10.365 12.975 ( -4.380 5.072 3.427) 7.527 13.611 ( 3.905 5.914 9.342) 11.726 13.666 ( -1.936 2.682 6.988) 7.731 13.880 ( 1.662 -0.422 -10.331) 10.472 13.893 ( 0.103 0.517 -10.933) 10.945 15.157 ( 5.850 6.934 6.525) 11.174 15.221 ( 2.918 2.573 5.614) 6.831 15.303 ( 5.516 -2.205 4.009) 7.167 15.479 ( -8.172 -3.383 -7.255) 11.439 15.643 ( 3.043 -9.811 0.065) 10.272 15.727 ( -4.883 -7.485 -5.205) 10.342 15.831 ( 0.093 -8.762 -16.120) 18.348 15.842 ( -0.816 -8.418 -18.256) 20.120 17.571 ( -0.015 5.622 12.229) 13.460 17.574 ( -0.327 5.444 10.603) 11.924 17.667 ( 2.993 3.193 4.162) 6.039 17.736 ( -3.799 3.588 -2.602) 5.838 18.903 ( 4.155 2.773 13.942) 14.810 19.002 ( -5.656 -0.581 10.395) 11.848 19.422 ( 4.718 -11.057 -9.755) 15.481 19.530 ( -5.882 -13.127 -14.723) 20.583 22.372 ( 5.950 -4.562 1.837) 7.719 22.410 ( 3.875 -4.890 -2.329) 6.660 22.609 ( -4.162 -5.479 2.312) 7.259 22.644 ( -6.011 -5.503 -1.607) 8.307 24.133 ( 0.286 -0.689 0.699) 1.023 24.143 ( -0.753 -0.111 -0.420) 0.869 24.358 ( 1.928 -8.060 0.335) 8.294 24.364 ( 1.316 -7.393 -0.334) 7.516 ======================= Grid point 180 (67/72) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 0.000 1.204 0.359) 1.256 2.786 ( 0.000 0.899 -1.403) 1.667 3.038 ( 0.000 9.955 0.722) 9.982 3.069 ( 0.000 10.539 -2.269) 10.781 3.160 ( 0.000 0.407 2.246) 2.283 3.180 ( 0.000 1.354 -0.295) 1.385 3.227 ( 0.000 -1.970 -0.513) 2.036 3.228 ( 0.000 -0.047 -0.756) 0.757 3.403 ( 0.000 6.642 1.404) 6.788 3.427 ( 0.000 5.575 -1.327) 5.731 3.594 ( 0.000 2.206 2.374) 3.240 3.611 ( 0.000 0.705 0.972) 1.201 3.674 ( 0.000 1.397 0.755) 1.588 3.676 ( 0.000 -0.395 0.859) 0.945 3.955 ( 0.000 -1.983 4.543) 4.957 4.000 ( 0.000 -4.238 -0.453) 4.263 4.390 ( 0.000 5.954 3.238) 6.777 4.436 ( 0.000 4.401 -1.076) 4.531 4.725 ( 0.000 6.949 -0.879) 7.004 4.761 ( 0.000 4.374 -4.871) 6.547 4.933 ( 0.000 3.372 7.330) 8.068 4.964 ( 0.000 2.302 6.105) 6.524 5.131 ( 0.000 4.457 -6.492) 7.875 5.136 ( 0.000 5.306 -8.525) 10.041 5.990 ( 0.000 3.970 3.016) 4.986 6.005 ( 0.000 1.380 1.166) 1.807 6.037 ( 0.000 0.454 -1.717) 1.776 6.075 ( 0.000 0.600 -5.507) 5.540 7.104 ( 0.000 5.873 3.471) 6.822 7.173 ( 0.000 3.076 -3.740) 4.843 7.287 ( 0.000 6.679 0.212) 6.682 7.301 ( 0.000 6.109 -1.225) 6.231 7.547 ( 0.000 6.017 10.995) 12.534 7.716 ( 0.000 1.092 -7.043) 7.127 7.896 ( 0.000 3.066 6.390) 7.088 8.025 ( 0.000 -2.335 -5.293) 5.785 8.153 ( 0.000 9.029 14.142) 16.778 8.435 ( 0.000 2.529 12.725) 12.974 8.449 ( 0.000 1.069 -15.850) 15.886 8.671 ( 0.000 -6.564 -7.676) 10.100 8.952 ( 0.000 12.593 3.545) 13.082 9.086 ( 0.000 12.665 -3.948) 13.266 9.319 ( 0.000 -3.040 -3.712) 4.798 9.330 ( 0.000 -3.062 2.116) 3.722 9.439 ( 0.000 -11.122 0.951) 11.163 9.589 ( 0.000 4.608 8.887) 10.010 9.616 ( 0.000 -16.065 -12.956) 20.638 9.787 ( 0.000 7.130 -11.670) 13.676 9.827 ( 0.000 -8.099 4.714) 9.371 9.910 ( 0.000 -3.977 1.851) 4.387 9.939 ( 0.000 -3.470 -2.691) 4.391 9.986 ( 0.000 -7.757 -10.160) 12.783 10.957 ( 0.000 8.356 9.082) 12.341 10.966 ( 0.000 5.760 8.699) 10.433 11.142 ( 0.000 6.109 1.544) 6.301 11.168 ( 0.000 6.080 -6.492) 8.894 11.248 ( 0.000 3.637 7.004) 7.892 11.445 ( 0.000 -0.843 -9.309) 9.348 11.650 ( 0.000 6.058 13.215) 14.537 11.695 ( 0.000 7.790 7.738) 10.980 11.940 ( 0.000 -0.252 -1.127) 1.155 12.072 ( 0.000 -11.166 -14.298) 18.141 12.322 ( 0.000 19.045 -1.714) 19.122 12.374 ( 0.000 15.674 -6.200) 16.855 12.781 ( 0.000 5.407 9.932) 11.309 12.878 ( 0.000 3.283 -0.264) 3.293 13.160 ( 0.000 0.504 4.135) 4.166 13.181 ( 0.000 1.559 1.996) 2.533 13.595 ( 0.000 1.922 6.393) 6.676 13.638 ( 0.000 -5.420 1.894) 5.741 13.716 ( 0.000 1.380 8.750) 8.858 13.866 ( 0.000 -2.537 -5.448) 6.010 15.014 ( 0.000 3.397 10.233) 10.782 15.195 ( 0.000 -4.298 18.812) 19.297 15.268 ( 0.000 8.776 -7.795) 11.738 15.457 ( 0.000 0.123 -0.936) 0.944 15.543 ( 0.000 -6.126 -3.269) 6.943 15.672 ( 0.000 -7.113 -18.781) 20.083 15.768 ( 0.000 -0.680 -24.309) 24.319 15.787 ( 0.000 -1.444 -17.012) 17.074 17.630 ( 0.000 1.988 12.960) 13.112 17.653 ( 0.000 1.929 10.750) 10.921 17.728 ( 0.000 5.855 11.639) 13.028 17.873 ( 0.000 -0.523 -2.244) 2.304 18.951 ( 0.000 6.726 3.784) 7.717 19.100 ( 0.000 -1.674 -11.963) 12.080 19.176 ( 0.000 -3.525 11.363) 11.897 19.384 ( 0.000 -12.357 -10.206) 16.027 22.153 ( 0.000 -1.932 1.339) 2.351 22.181 ( 0.000 -3.148 -1.688) 3.572 22.625 ( 0.000 -6.724 1.971) 7.007 22.660 ( 0.000 -7.895 -1.747) 8.086 24.072 ( 0.000 -2.402 0.786) 2.527 24.085 ( 0.000 -3.200 -0.623) 3.260 24.250 ( 0.000 -0.542 0.375) 0.659 24.255 ( 0.000 -0.689 -0.193) 0.715 ======================= Grid point 181 (68/72) ======================= q-point: ( 0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( 1.007 3.219 2.183) 4.018 2.823 ( 2.820 1.593 -3.520) 4.783 3.008 ( -3.770 9.127 1.574) 10.000 3.048 ( -2.041 9.234 -2.095) 9.686 3.121 ( -1.179 4.270 0.307) 4.440 3.145 ( -1.932 2.491 -1.802) 3.631 3.265 ( 4.040 -1.283 2.765) 5.062 3.313 ( 4.279 -3.267 -2.186) 5.810 3.389 ( -0.754 5.996 1.181) 6.157 3.404 ( -1.901 5.262 -0.727) 5.642 3.572 ( -2.235 0.926 2.441) 3.436 3.598 ( -1.617 -0.210 0.056) 1.632 3.702 ( 3.173 1.101 1.500) 3.678 3.714 ( 3.252 1.185 0.005) 3.461 3.949 ( -1.250 -2.637 3.500) 4.557 3.987 ( -1.756 -4.307 -0.520) 4.681 4.384 ( 0.632 6.245 4.380) 7.654 4.428 ( 0.018 4.315 0.262) 4.323 4.659 ( -4.452 6.000 4.399) 8.671 4.736 ( -4.747 2.134 -3.775) 6.429 4.956 ( 4.644 6.821 6.213) 10.329 5.050 ( 5.339 2.273 0.082) 5.803 5.138 ( 0.598 5.655 -8.263) 10.030 5.153 ( 1.286 4.720 -6.475) 8.116 5.962 ( -2.203 3.053 2.130) 4.326 5.988 ( -2.466 1.903 1.746) 3.571 6.008 ( -1.534 -0.023 -2.076) 2.581 6.053 ( -1.992 0.015 -4.687) 5.092 7.134 ( 2.794 4.078 0.977) 5.039 7.160 ( 0.772 2.863 -1.897) 3.520 7.388 ( 7.276 8.172 4.158) 11.705 7.437 ( -7.747 4.886 7.683) 11.954 7.460 ( 12.924 6.817 -1.877) 14.731 7.601 ( -6.497 0.243 -8.264) 10.515 7.952 ( 4.375 5.111 9.705) 11.809 8.110 ( 2.928 -0.474 -5.238) 6.019 8.164 ( 0.909 6.681 15.753) 17.136 8.394 ( -3.657 5.152 12.248) 13.781 8.459 ( 1.116 0.348 -15.364) 15.408 8.652 ( -2.919 -6.203 -13.289) 14.953 9.012 ( 5.594 10.795 6.221) 13.658 9.135 ( 4.114 9.717 -3.060) 10.987 9.301 ( -1.684 -1.982 3.194) 4.119 9.340 ( 0.103 -3.746 -2.212) 4.352 9.479 ( 3.681 -11.512 -1.433) 12.171 9.565 ( -0.511 1.440 5.034) 5.261 9.625 ( 0.946 -14.815 -10.673) 18.284 9.737 ( -2.668 0.343 -13.424) 13.691 9.875 ( 4.208 -4.195 5.580) 8.151 9.988 ( 3.211 0.551 -3.718) 4.943 9.996 ( 8.641 -2.970 0.215) 9.140 10.044 ( 7.269 -4.089 -5.714) 10.110 10.779 ( -14.880 7.983 7.767) 18.587 10.824 ( -12.015 7.536 5.370) 15.165 10.967 ( -16.386 4.182 1.393) 16.968 11.032 ( -12.512 1.927 -6.229) 14.109 11.345 ( 6.508 4.017 9.655) 12.317 11.530 ( 6.312 -2.462 -6.810) 9.606 11.663 ( 0.325 2.450 14.688) 14.895 11.757 ( 5.671 10.270 9.173) 14.892 11.926 ( -0.221 4.364 -5.656) 7.147 12.013 ( -4.462 -5.301 -14.062) 15.677 12.266 ( -5.083 15.893 1.630) 16.766 12.359 ( -3.154 12.228 -7.967) 14.932 12.836 ( 4.957 5.025 7.638) 10.400 12.897 ( 2.360 4.351 1.342) 5.128 13.117 ( -3.534 2.645 4.977) 6.652 13.144 ( -3.253 2.701 2.065) 4.706 13.635 ( 3.116 0.455 6.566) 7.283 13.682 ( 2.699 -0.065 5.454) 6.086 13.739 ( 2.898 -2.840 3.796) 5.556 13.870 ( 0.201 -2.878 -5.482) 6.195 15.081 ( 6.356 1.818 9.113) 11.258 15.210 ( 1.465 -3.464 18.327) 18.709 15.284 ( 1.042 6.758 -0.329) 6.845 15.465 ( 0.788 -0.109 -6.500) 6.548 15.518 ( -2.358 -5.283 -0.041) 5.786 15.674 ( 0.403 -5.925 -21.879) 22.670 15.747 ( -2.551 -0.794 -20.111) 20.288 15.766 ( -1.563 -1.542 -21.866) 21.976 17.640 ( 0.975 2.187 12.086) 12.321 17.655 ( 0.311 2.247 10.468) 10.711 17.720 ( -0.718 4.937 11.407) 12.450 17.842 ( -3.007 -0.414 -0.216) 3.043 18.962 ( 1.109 6.532 4.119) 7.801 19.081 ( -1.758 0.718 -3.149) 3.677 19.194 ( 1.788 -5.141 1.737) 5.713 19.362 ( -2.155 -11.496 -10.286) 15.576 22.192 ( 3.873 -2.228 1.454) 4.699 22.222 ( 4.022 -3.484 -1.811) 5.621 22.578 ( -4.502 -6.488 2.022) 8.152 22.613 ( -4.523 -7.677 -1.711) 9.073 24.089 ( 1.653 -1.555 1.132) 2.536 24.110 ( 2.042 -2.544 -1.179) 3.469 24.242 ( -0.471 -1.327 1.099) 1.786 24.259 ( 0.031 -2.002 -0.709) 2.124 ======================= Grid point 182 (69/72) ======================= q-point: ( 0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.819 ( 3.705 6.362 2.992) 7.947 2.886 ( 2.343 5.148 -3.175) 6.486 2.917 ( -3.555 6.459 0.894) 7.427 2.978 ( -4.427 5.557 -4.454) 8.385 3.120 ( 0.833 6.928 0.986) 7.047 3.133 ( -0.317 6.972 -0.287) 6.985 3.315 ( 0.935 2.174 0.649) 2.454 3.341 ( -1.704 1.894 -2.045) 3.267 3.400 ( 3.191 0.682 1.907) 3.780 3.426 ( 2.674 -0.482 -0.571) 2.777 3.518 ( -2.210 -1.170 2.532) 3.559 3.547 ( -3.305 -1.916 -0.321) 3.834 3.782 ( 4.575 1.053 0.970) 4.794 3.797 ( 4.634 1.015 -0.637) 4.787 3.892 ( -3.928 -2.405 1.654) 4.894 3.918 ( -4.886 -3.198 -1.001) 5.925 4.454 ( 6.366 4.736 5.323) 9.554 4.466 ( 3.861 4.149 3.924) 6.893 4.562 ( -5.281 4.732 5.993) 9.284 4.604 ( -7.907 2.627 2.672) 8.750 5.066 ( 5.420 7.088 -1.369) 9.027 5.132 ( 1.333 5.159 -2.792) 6.016 5.143 ( 0.145 4.629 -7.813) 9.083 5.163 ( -0.287 5.168 -5.834) 7.799 5.926 ( -0.939 2.292 1.591) 2.944 5.935 ( -1.900 2.302 1.175) 3.208 5.992 ( -0.013 -1.016 -1.695) 1.977 6.011 ( -1.823 -0.838 -3.200) 3.777 7.192 ( 3.513 3.340 1.923) 5.215 7.229 ( 5.343 1.524 -1.889) 5.869 7.288 ( -6.051 3.989 4.766) 8.674 7.359 ( -7.156 1.067 -2.176) 7.556 7.698 ( 10.908 9.759 1.140) 14.681 7.723 ( 10.054 9.841 -1.617) 14.161 8.010 ( 1.161 4.088 6.271) 7.576 8.073 ( -5.449 2.109 0.110) 5.844 8.186 ( 2.151 4.978 16.433) 17.305 8.284 ( -7.052 5.495 12.066) 15.017 8.497 ( 2.835 -1.849 -15.771) 16.130 8.571 ( -4.461 -4.545 -16.226) 17.431 9.126 ( 5.565 4.894 4.925) 8.899 9.212 ( 1.058 1.704 -2.296) 3.048 9.245 ( -1.252 5.258 5.467) 7.688 9.312 ( -3.384 -1.159 -2.144) 4.170 9.541 ( 2.308 -11.228 -1.739) 11.594 9.570 ( -0.440 -6.445 -1.370) 6.604 9.674 ( 3.283 -10.976 -8.233) 14.108 9.712 ( -0.752 -9.545 -11.606) 15.046 10.070 ( 16.169 3.670 2.575) 16.779 10.116 ( 11.660 3.010 -2.016) 12.210 10.200 ( 7.980 3.072 1.287) 8.647 10.239 ( 11.238 -0.570 -3.190) 11.696 10.449 ( -16.729 8.256 5.455) 19.437 10.537 ( -18.884 9.335 -3.117) 21.294 10.619 ( -11.439 -1.056 6.090) 13.002 10.719 ( -16.632 -1.110 -5.380) 17.516 11.475 ( 6.794 2.181 12.853) 14.701 11.599 ( -4.480 2.038 15.658) 16.414 11.675 ( 6.048 -6.716 -4.652) 10.165 11.799 ( -4.412 -3.382 3.290) 6.460 11.970 ( 4.982 12.944 -9.119) 16.599 12.012 ( 4.488 13.279 -6.545) 15.470 12.154 ( -4.228 11.617 0.816) 12.389 12.237 ( -8.249 9.638 -7.133) 14.554 12.944 ( 5.353 4.275 5.974) 9.089 12.971 ( 4.639 5.194 2.886) 7.539 13.041 ( -4.087 4.565 5.336) 8.125 13.067 ( -4.376 4.422 2.439) 6.682 13.688 ( 1.897 0.944 7.889) 8.169 13.706 ( 0.044 2.476 8.933) 9.270 13.816 ( 3.667 -5.060 -3.083) 6.968 13.863 ( -1.162 -3.876 -5.061) 6.479 15.236 ( 8.020 -1.067 7.422) 10.979 15.248 ( 2.395 -1.095 16.331) 16.542 15.286 ( -0.667 1.575 11.828) 11.951 15.401 ( -6.876 -4.503 3.896) 9.096 15.547 ( 4.988 1.316 -15.762) 16.584 15.655 ( -4.845 0.286 -18.254) 18.888 15.703 ( 0.900 -4.153 -24.235) 24.605 15.734 ( -1.718 -2.681 -24.756) 24.960 17.659 ( 0.708 3.269 10.656) 11.168 17.666 ( 0.316 3.588 9.721) 10.367 17.716 ( 1.181 1.677 9.816) 10.028 17.771 ( -3.712 0.017 4.600) 5.911 18.993 ( 2.023 5.740 4.599) 7.628 19.038 ( -2.410 3.868 3.488) 5.739 19.243 ( 3.028 -7.289 -6.805) 10.421 19.307 ( -3.252 -9.475 -9.756) 13.983 22.292 ( 5.631 -2.671 1.290) 6.365 22.320 ( 4.633 -3.455 -1.726) 6.032 22.472 ( -4.889 -6.645 1.831) 8.450 22.501 ( -6.023 -7.390 -1.319) 9.624 24.127 ( 1.769 0.142 0.826) 1.957 24.142 ( 0.562 0.068 -0.845) 1.017 24.238 ( 0.319 -4.301 0.913) 4.408 24.252 ( -0.706 -4.264 -0.555) 4.358 ======================= Grid point 185 (70/72) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 0.000 -0.450 0.187) 0.487 2.786 ( 0.000 0.450 0.187) 0.487 3.158 ( 0.000 -2.701 -0.811) 2.821 3.158 ( 0.000 2.702 -0.811) 2.821 3.181 ( 0.000 -0.857 -1.047) 1.353 3.181 ( 0.000 0.857 -1.047) 1.353 3.210 ( 0.000 -1.997 0.680) 2.109 3.210 ( 0.000 1.997 0.680) 2.109 3.521 ( 0.000 -1.621 0.728) 1.777 3.521 ( 0.000 1.621 0.728) 1.777 3.572 ( 0.000 -1.088 0.406) 1.161 3.572 ( 0.000 1.088 0.406) 1.161 3.680 ( 0.000 -0.638 2.245) 2.334 3.680 ( 0.000 0.638 2.245) 2.334 3.944 ( 0.000 -1.065 1.000) 1.461 3.944 ( 0.000 1.065 1.000) 1.461 4.466 ( 0.000 -1.344 1.715) 2.179 4.466 ( 0.000 1.344 1.715) 2.179 4.801 ( 0.000 -0.757 -5.538) 5.590 4.801 ( 0.000 0.757 -5.538) 5.590 4.976 ( 0.000 -0.894 7.779) 7.830 4.976 ( 0.000 0.894 7.779) 7.830 5.183 ( 0.000 -0.417 -6.296) 6.310 5.183 ( 0.000 0.417 -6.296) 6.310 6.031 ( 0.000 -1.011 0.159) 1.023 6.031 ( 0.000 1.011 0.159) 1.023 6.057 ( 0.000 -2.401 -1.611) 2.891 6.057 ( 0.000 2.401 -1.611) 2.891 7.186 ( 0.000 -1.888 0.211) 1.899 7.186 ( 0.000 1.888 0.211) 1.899 7.369 ( 0.000 -0.334 -0.087) 0.346 7.369 ( 0.000 0.334 -0.087) 0.346 7.669 ( 0.000 -5.282 1.549) 5.504 7.669 ( 0.000 5.282 1.549) 5.504 7.959 ( 0.000 -3.588 0.672) 3.650 7.959 ( 0.000 3.588 0.672) 3.650 8.338 ( 0.000 -9.575 2.304) 9.849 8.338 ( 0.000 9.576 2.304) 9.849 8.523 ( 0.000 -6.378 2.518) 6.857 8.523 ( 0.000 6.378 2.518) 6.857 9.153 ( 0.000 -6.278 6.464) 9.011 9.153 ( 0.000 6.279 6.464) 9.011 9.323 ( 0.000 -2.505 -10.667) 10.957 9.323 ( 0.000 2.505 -10.667) 10.957 9.377 ( 0.000 -7.263 -6.154) 9.519 9.377 ( 0.000 7.263 -6.154) 9.519 9.703 ( 0.000 -4.056 2.184) 4.606 9.703 ( 0.000 4.056 2.184) 4.606 9.831 ( 0.000 -0.638 -1.429) 1.565 9.831 ( 0.000 0.638 -1.429) 1.565 9.919 ( 0.000 -3.379 -6.778) 7.574 9.919 ( 0.000 3.379 -6.778) 7.574 11.038 ( 0.000 -0.684 11.577) 11.597 11.038 ( 0.000 0.684 11.577) 11.597 11.235 ( 0.000 -0.006 -7.526) 7.526 11.235 ( 0.000 0.006 -7.526) 7.526 11.327 ( 0.000 -7.195 1.153) 7.287 11.327 ( 0.000 7.195 1.153) 7.287 11.725 ( 0.000 -4.000 15.719) 16.219 11.725 ( 0.000 4.000 15.719) 16.220 11.974 ( 0.000 -1.045 -11.948) 11.994 11.974 ( 0.000 1.045 -11.948) 11.994 12.530 ( 0.000 -1.506 -4.481) 4.728 12.530 ( 0.000 1.507 -4.481) 4.728 12.881 ( 0.000 -3.793 6.277) 7.334 12.881 ( 0.000 3.793 6.277) 7.334 13.173 ( 0.000 -1.374 3.601) 3.854 13.173 ( 0.000 1.374 3.601) 3.854 13.586 ( 0.000 -0.074 2.370) 2.371 13.586 ( 0.000 0.074 2.370) 2.371 13.788 ( 0.000 -4.557 3.356) 5.660 13.788 ( 0.000 4.557 3.356) 5.660 15.083 ( 0.000 -4.302 15.356) 15.947 15.083 ( 0.000 4.302 15.356) 15.947 15.417 ( 0.000 -6.036 4.319) 7.422 15.417 ( 0.000 6.036 4.320) 7.423 15.546 ( 0.000 -6.365 -20.477) 21.443 15.546 ( 0.000 6.366 -20.478) 21.444 15.776 ( 0.000 -0.469 -22.395) 22.400 15.776 ( 0.000 0.469 -22.395) 22.400 17.661 ( 0.000 -0.864 11.956) 11.987 17.661 ( 0.000 0.864 11.956) 11.987 17.826 ( 0.000 -3.905 6.570) 7.643 17.826 ( 0.000 3.905 6.570) 7.643 19.057 ( 0.000 -3.407 -3.273) 4.725 19.057 ( 0.000 3.407 -3.273) 4.725 19.200 ( 0.000 -5.796 -1.908) 6.102 19.200 ( 0.000 5.796 -1.908) 6.102 22.142 ( 0.000 -0.771 0.083) 0.776 22.142 ( 0.000 0.771 0.083) 0.776 22.561 ( 0.000 -1.031 -0.099) 1.036 22.561 ( 0.000 1.031 -0.099) 1.036 24.051 ( 0.000 -0.303 0.088) 0.316 24.051 ( 0.000 0.303 0.088) 0.316 24.245 ( 0.000 -0.167 0.089) 0.189 24.245 ( 0.000 0.167 0.089) 0.189 ======================= Grid point 187 (71/72) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.820 ( 3.327 -1.579 -0.138) 3.685 2.820 ( 3.327 1.579 -0.138) 3.685 3.106 ( -4.285 -1.706 -0.623) 4.654 3.106 ( -4.285 1.706 -0.623) 4.654 3.199 ( 2.264 -2.590 -0.139) 3.443 3.199 ( 2.264 2.590 -0.139) 3.443 3.244 ( 2.063 -3.114 -0.597) 3.783 3.244 ( 2.063 3.115 -0.597) 3.783 3.492 ( -2.370 -1.315 0.944) 2.870 3.492 ( -2.370 1.315 0.944) 2.870 3.547 ( -2.550 -1.401 0.861) 3.034 3.547 ( -2.550 1.401 0.861) 3.034 3.719 ( 3.386 -0.563 1.301) 3.671 3.719 ( 3.386 0.563 1.301) 3.671 3.933 ( -1.383 -0.932 0.591) 1.769 3.933 ( -1.383 0.932 0.591) 1.769 4.460 ( 0.230 -1.196 2.634) 2.902 4.460 ( 0.230 1.196 2.634) 2.902 4.739 ( -5.141 -1.962 0.379) 5.516 4.739 ( -5.141 1.962 0.379) 5.516 5.048 ( 5.674 -2.405 1.770) 6.412 5.048 ( 5.674 2.405 1.770) 6.412 5.199 ( 1.268 -0.343 -6.369) 6.503 5.199 ( 1.268 0.343 -6.369) 6.503 5.999 ( -2.567 -0.878 -0.055) 2.714 5.999 ( -2.567 0.878 -0.055) 2.714 6.034 ( -2.128 -1.963 -1.245) 3.151 6.034 ( -2.128 1.963 -1.245) 3.151 7.183 ( 0.882 -0.708 -0.644) 1.301 7.183 ( 0.882 0.708 -0.644) 1.302 7.493 ( 2.085 -1.233 4.930) 5.493 7.493 ( 2.085 1.233 4.930) 5.493 7.563 ( 1.653 -3.688 -2.622) 4.817 7.563 ( 1.653 3.688 -2.622) 4.818 8.048 ( 4.762 -4.567 1.044) 6.680 8.048 ( 4.762 4.567 1.044) 6.680 8.334 ( -0.254 -10.000 2.675) 10.355 8.334 ( -0.254 10.000 2.675) 10.355 8.507 ( -2.401 -6.614 2.867) 7.598 8.507 ( -2.401 6.614 2.867) 7.598 9.190 ( 3.027 -6.087 4.245) 8.015 9.190 ( 3.027 6.087 4.245) 8.015 9.318 ( -0.810 -3.737 -8.062) 8.923 9.318 ( -0.810 3.737 -8.062) 8.923 9.396 ( 2.445 -6.421 -6.035) 9.145 9.396 ( 2.445 6.421 -6.035) 9.145 9.644 ( -4.204 -5.450 -3.554) 7.747 9.644 ( -4.204 5.451 -3.554) 7.747 9.887 ( 6.383 -3.704 -2.383) 7.755 9.887 ( 6.383 3.705 -2.382) 7.755 10.026 ( 9.565 -0.872 -1.207) 9.680 10.026 ( 9.565 0.873 -1.207) 9.680 10.878 ( -13.658 -1.596 9.662) 16.806 10.878 ( -13.658 1.596 9.662) 16.806 11.045 ( -16.024 -1.927 -5.619) 17.090 11.045 ( -16.024 1.927 -5.619) 17.090 11.421 ( 5.887 -5.165 0.778) 7.871 11.421 ( 5.887 5.165 0.778) 7.871 11.733 ( -0.812 -5.717 13.724) 14.889 11.733 ( -0.812 5.717 13.724) 14.889 12.006 ( 4.110 -1.089 -10.045) 10.908 12.006 ( 4.110 1.089 -10.045) 10.908 12.463 ( -6.240 -3.003 -2.928) 7.519 12.463 ( -6.240 3.003 -2.928) 7.519 12.928 ( 4.193 -2.642 5.106) 7.115 12.928 ( 4.193 2.642 5.106) 7.115 13.156 ( -1.729 -1.338 3.779) 4.366 13.156 ( -1.729 1.338 3.779) 4.366 13.634 ( 4.163 -1.780 2.394) 5.122 13.634 ( 4.163 1.780 2.394) 5.122 13.787 ( -0.223 -4.526 3.190) 5.541 13.787 ( -0.223 4.526 3.190) 5.542 15.122 ( 3.742 -3.073 14.560) 15.344 15.122 ( 3.742 3.074 14.559) 15.344 15.394 ( -2.426 -4.973 7.305) 9.164 15.394 ( -2.426 4.974 7.306) 9.165 15.566 ( 2.061 -5.764 -22.687) 23.498 15.566 ( 2.061 5.765 -22.687) 23.499 15.755 ( -2.093 -0.500 -22.641) 22.743 15.755 ( -2.093 0.500 -22.641) 22.743 17.670 ( 0.929 -0.618 11.515) 11.569 17.670 ( 0.929 0.618 11.515) 11.569 17.802 ( -2.264 -3.268 7.146) 8.177 17.802 ( -2.264 3.268 7.146) 8.177 19.071 ( 1.424 -3.789 -3.188) 5.152 19.071 ( 1.424 3.789 -3.188) 5.152 19.186 ( -1.316 -5.660 -2.094) 6.177 19.186 ( -1.316 5.660 -2.094) 6.177 22.179 ( 3.676 -0.848 0.071) 3.773 22.179 ( 3.676 0.848 0.071) 3.773 22.516 ( -4.308 -1.034 -0.076) 4.431 22.516 ( -4.308 1.035 -0.076) 4.431 24.078 ( 2.545 -0.554 0.087) 2.606 24.078 ( 2.545 0.554 0.087) 2.606 24.233 ( -1.181 -0.455 0.088) 1.269 24.233 ( -1.181 0.455 0.088) 1.269 ======================= Grid point 189 (72/72) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.906 ( 5.085 -2.084 -0.706) 5.541 2.906 ( 5.085 2.084 -0.706) 5.541 3.010 ( -5.240 -1.871 -0.815) 5.624 3.010 ( -5.240 1.871 -0.815) 5.624 3.255 ( 2.723 -4.793 0.076) 5.513 3.255 ( 2.723 4.794 0.076) 5.514 3.276 ( 0.767 -5.050 -0.731) 5.160 3.276 ( 0.767 5.050 -0.731) 5.160 3.454 ( -0.787 -0.651 1.071) 1.480 3.454 ( -0.787 0.651 1.071) 1.480 3.482 ( -3.303 -1.719 1.186) 3.908 3.482 ( -3.303 1.719 1.186) 3.908 3.797 ( 4.354 -0.531 0.161) 4.389 3.797 ( 4.354 0.531 0.161) 4.389 3.881 ( -3.808 -0.731 -0.102) 3.879 3.881 ( -3.808 0.731 -0.102) 3.879 4.506 ( 4.571 -0.303 4.364) 6.326 4.506 ( 4.571 0.303 4.364) 6.326 4.621 ( -6.473 -1.069 4.123) 7.749 4.621 ( -6.473 1.069 4.123) 7.749 5.155 ( 4.524 -1.793 -3.151) 5.797 5.155 ( 4.524 1.793 -3.151) 5.797 5.209 ( -0.837 -0.677 -5.699) 5.800 5.209 ( -0.837 0.677 -5.699) 5.800 5.964 ( -0.403 -1.293 -0.220) 1.372 5.964 ( -0.403 1.293 -0.220) 1.372 5.986 ( -2.274 -1.666 -0.655) 2.894 5.986 ( -2.274 1.666 -0.655) 2.894 7.234 ( 4.257 -0.949 -0.149) 4.364 7.234 ( 4.257 0.949 -0.149) 4.364 7.350 ( -7.463 -1.969 1.134) 7.802 7.350 ( -7.463 1.969 1.134) 7.802 7.833 ( 15.348 -1.439 1.723) 15.512 7.833 ( 15.348 1.439 1.723) 15.512 8.056 ( -5.417 -2.144 1.197) 5.947 8.056 ( -5.417 2.144 1.197) 5.947 8.343 ( 1.723 -10.231 2.896) 10.772 8.343 ( 1.723 10.231 2.896) 10.772 8.418 ( -5.555 -7.998 2.175) 9.978 8.418 ( -5.555 7.999 2.175) 9.978 9.244 ( 2.356 -5.208 0.541) 5.742 9.244 ( 2.356 5.208 0.541) 5.742 9.288 ( -2.080 -3.763 -3.098) 5.299 9.288 ( -2.080 3.763 -3.098) 5.299 9.474 ( 4.678 -4.264 -6.385) 8.990 9.474 ( 4.678 4.264 -6.385) 8.990 9.561 ( -4.215 -3.076 -7.165) 8.864 9.561 ( -4.215 3.076 -7.165) 8.864 10.121 ( 16.530 -1.674 -1.598) 16.691 10.121 ( 16.530 1.675 -1.598) 16.691 10.251 ( 10.984 -1.092 1.203) 11.104 10.251 ( 10.984 1.092 1.203) 11.104 10.575 ( -14.720 -3.866 6.139) 16.410 10.575 ( -14.720 3.866 6.139) 16.410 10.672 ( -19.099 -4.193 -4.061) 19.971 10.672 ( -19.099 4.193 -4.061) 19.971 11.541 ( 6.363 -5.415 3.048) 8.894 11.541 ( 6.363 5.415 3.048) 8.894 11.664 ( -5.596 -5.979 7.028) 10.792 11.664 ( -5.596 5.980 7.028) 10.792 12.139 ( 8.494 -1.606 -4.355) 9.679 12.139 ( 8.494 1.606 -4.355) 9.679 12.312 ( -8.602 -2.935 -2.210) 9.354 12.312 ( -8.602 2.936 -2.210) 9.354 13.021 ( 4.817 -1.644 4.359) 6.702 13.021 ( 4.817 1.644 4.360) 6.702 13.104 ( -3.477 -1.342 4.099) 5.540 13.104 ( -3.477 1.342 4.099) 5.540 13.718 ( 3.735 -3.345 2.532) 5.617 13.718 ( 3.735 3.345 2.532) 5.617 13.771 ( -1.614 -4.238 2.836) 5.348 13.771 ( -1.614 4.238 2.836) 5.349 15.217 ( 5.512 -0.224 12.739) 13.882 15.217 ( 5.512 0.225 12.739) 13.882 15.322 ( -4.758 -2.778 10.564) 11.914 15.322 ( -4.758 2.779 10.564) 11.914 15.624 ( 3.606 -4.089 -23.870) 24.485 15.624 ( 3.606 4.089 -23.870) 24.485 15.697 ( -3.554 -1.947 -23.307) 23.657 15.697 ( -3.554 1.947 -23.307) 23.657 17.699 ( 2.040 -0.551 10.277) 10.492 17.699 ( 2.040 0.551 10.277) 10.492 17.748 ( -2.851 -1.840 8.600) 9.245 17.748 ( -2.851 1.840 8.600) 9.245 19.108 ( 2.174 -4.550 -2.926) 5.830 19.108 ( 2.174 4.550 -2.926) 5.830 19.152 ( -2.118 -5.234 -2.516) 6.181 19.152 ( -2.118 5.234 -2.516) 6.181 22.278 ( 6.104 -0.968 0.034) 6.181 22.278 ( 6.104 0.968 0.034) 6.181 22.406 ( -6.470 -1.028 -0.023) 6.551 22.406 ( -6.470 1.028 -0.023) 6.551 24.139 ( 3.281 -0.775 0.087) 3.373 24.139 ( 3.281 0.775 0.087) 3.373 24.197 ( -2.466 -0.732 0.088) 2.573 24.197 ( -2.466 0.732 0.088) 2.573 =================== 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 3/33600 10.0 5371.137 7409.576 7276.051 0.000 0.000 0.000 3/33600 20.0 899.260 1510.963 1160.124 0.000 0.000 0.000 3/33600 30.0 276.572 524.602 369.754 0.000 0.000 0.000 3/33600 40.0 129.602 260.019 174.397 0.000 0.000 0.000 3/33600 50.0 75.755 155.641 101.870 0.000 0.000 0.000 3/33600 60.0 50.248 104.361 67.489 0.000 0.000 0.000 3/33600 70.0 36.154 75.528 48.510 0.000 0.000 0.000 3/33600 80.0 27.546 57.768 36.926 0.000 0.000 0.000 3/33600 90.0 21.905 46.075 29.335 0.000 0.000 0.000 3/33600 100.0 18.004 37.968 24.087 0.000 0.000 0.000 3/33600 110.0 15.190 32.110 20.304 0.000 0.000 0.000 3/33600 120.0 13.089 27.729 17.481 0.000 0.000 0.000 3/33600 130.0 11.473 24.358 15.314 0.000 0.000 0.000 3/33600 140.0 10.200 21.700 13.609 0.000 0.000 0.000 3/33600 150.0 9.175 19.560 12.240 0.000 0.000 0.000 3/33600 160.0 8.336 17.806 11.121 0.000 0.000 0.000 3/33600 170.0 7.637 16.345 10.192 0.000 0.000 0.000 3/33600 180.0 7.048 15.112 9.408 0.000 0.000 0.000 3/33600 190.0 6.544 14.059 8.741 0.000 0.000 0.000 3/33600 200.0 6.109 13.149 8.165 0.000 0.000 0.000 3/33600 210.0 5.730 12.355 7.664 0.000 0.000 0.000 3/33600 220.0 5.397 11.657 7.223 0.000 0.000 0.000 3/33600 230.0 5.102 11.038 6.833 0.000 0.000 0.000 3/33600 240.0 4.839 10.486 6.486 0.000 0.000 0.000 3/33600 250.0 4.603 9.990 6.174 0.000 0.000 0.000 3/33600 260.0 4.390 9.542 5.892 0.000 0.000 0.000 3/33600 270.0 4.196 9.135 5.636 0.000 0.000 0.000 3/33600 280.0 4.020 8.764 5.403 0.000 0.000 0.000 3/33600 290.0 3.859 8.423 5.190 0.000 0.000 0.000 3/33600 300.0 3.710 8.110 4.993 0.000 0.000 0.000 3/33600 310.0 3.573 7.821 4.812 0.000 0.000 0.000 3/33600 320.0 3.447 7.553 4.644 0.000 0.000 0.000 3/33600 330.0 3.329 7.304 4.488 0.000 0.000 0.000 3/33600 340.0 3.220 7.071 4.343 0.000 0.000 0.000 3/33600 350.0 3.118 6.854 4.207 0.000 0.000 0.000 3/33600 360.0 3.022 6.650 4.080 0.000 0.000 0.000 3/33600 370.0 2.933 6.459 3.961 0.000 0.000 0.000 3/33600 380.0 2.848 6.279 3.848 0.000 0.000 0.000 3/33600 390.0 2.769 6.110 3.742 0.000 0.000 0.000 3/33600 400.0 2.694 5.949 3.643 0.000 0.000 0.000 3/33600 410.0 2.623 5.797 3.548 0.000 0.000 0.000 3/33600 420.0 2.556 5.653 3.458 0.000 0.000 0.000 3/33600 430.0 2.493 5.517 3.373 0.000 0.000 0.000 3/33600 440.0 2.432 5.387 3.292 0.000 0.000 0.000 3/33600 450.0 2.375 5.263 3.216 0.000 0.000 0.000 3/33600 460.0 2.320 5.145 3.142 0.000 0.000 0.000 3/33600 470.0 2.268 5.032 3.072 0.000 0.000 0.000 3/33600 480.0 2.218 4.924 3.005 0.000 0.000 0.000 3/33600 490.0 2.171 4.821 2.942 0.000 0.000 0.000 3/33600 500.0 2.125 4.722 2.880 0.000 0.000 0.000 3/33600 510.0 2.081 4.628 2.822 0.000 0.000 0.000 3/33600 520.0 2.040 4.537 2.766 0.000 0.000 0.000 3/33600 530.0 1.999 4.449 2.712 0.000 0.000 0.000 3/33600 540.0 1.961 4.365 2.660 0.000 0.000 0.000 3/33600 550.0 1.924 4.285 2.610 0.000 0.000 0.000 3/33600 560.0 1.888 4.207 2.562 0.000 0.000 0.000 3/33600 570.0 1.854 4.132 2.516 0.000 0.000 0.000 3/33600 580.0 1.821 4.060 2.471 0.000 0.000 0.000 3/33600 590.0 1.789 3.990 2.428 0.000 0.000 0.000 3/33600 600.0 1.758 3.923 2.386 0.000 0.000 0.000 3/33600 610.0 1.728 3.858 2.346 0.000 0.000 0.000 3/33600 620.0 1.700 3.795 2.308 0.000 0.000 0.000 3/33600 630.0 1.672 3.734 2.270 0.000 0.000 0.000 3/33600 640.0 1.645 3.675 2.234 0.000 0.000 0.000 3/33600 650.0 1.619 3.618 2.199 0.000 0.000 0.000 3/33600 660.0 1.594 3.562 2.165 0.000 0.000 0.000 3/33600 670.0 1.570 3.509 2.132 0.000 0.000 0.000 3/33600 680.0 1.546 3.457 2.100 0.000 0.000 0.000 3/33600 690.0 1.523 3.406 2.069 0.000 0.000 0.000 3/33600 700.0 1.501 3.357 2.039 0.000 0.000 0.000 3/33600 710.0 1.479 3.310 2.010 0.000 0.000 0.000 3/33600 720.0 1.458 3.263 1.981 0.000 0.000 0.000 3/33600 730.0 1.438 3.218 1.954 0.000 0.000 0.000 3/33600 740.0 1.418 3.175 1.927 0.000 0.000 0.000 3/33600 750.0 1.399 3.132 1.901 0.000 0.000 0.000 3/33600 760.0 1.380 3.091 1.875 0.000 0.000 0.000 3/33600 770.0 1.362 3.050 1.851 0.000 0.000 0.000 3/33600 780.0 1.344 3.011 1.827 0.000 0.000 0.000 3/33600 790.0 1.327 2.973 1.803 0.000 0.000 0.000 3/33600 800.0 1.310 2.935 1.780 0.000 0.000 0.000 3/33600 810.0 1.293 2.899 1.758 0.000 0.000 0.000 3/33600 820.0 1.277 2.863 1.736 0.000 0.000 0.000 3/33600 830.0 1.262 2.829 1.715 0.000 0.000 0.000 3/33600 840.0 1.246 2.795 1.695 0.000 0.000 0.000 3/33600 850.0 1.232 2.762 1.674 0.000 0.000 0.000 3/33600 860.0 1.217 2.730 1.655 0.000 0.000 0.000 3/33600 870.0 1.203 2.698 1.635 0.000 0.000 0.000 3/33600 880.0 1.189 2.668 1.617 0.000 0.000 0.000 3/33600 890.0 1.175 2.637 1.598 0.000 0.000 0.000 3/33600 900.0 1.162 2.608 1.580 0.000 0.000 0.000 3/33600 910.0 1.149 2.579 1.563 0.000 0.000 0.000 3/33600 920.0 1.137 2.551 1.546 0.000 0.000 0.000 3/33600 930.0 1.124 2.524 1.529 0.000 0.000 0.000 3/33600 940.0 1.112 2.497 1.513 0.000 0.000 0.000 3/33600 950.0 1.100 2.470 1.496 0.000 0.000 0.000 3/33600 960.0 1.089 2.445 1.481 0.000 0.000 0.000 3/33600 970.0 1.077 2.419 1.465 0.000 0.000 0.000 3/33600 980.0 1.066 2.395 1.450 0.000 0.000 0.000 3/33600 990.0 1.055 2.370 1.436 0.000 0.000 0.000 3/33600 1000.0 1.045 2.347 1.421 0.000 0.000 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:53:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|