----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:06:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.015497800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.929088719999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.514068299999999 Atomic positions (fractional): *1 Si 0.36974689161850 0.10730116715129 0.10614147672101 28.085 2 Si 0.13025310838150 0.39269883284871 0.60614147672102 28.085 3 Si 0.63025310838150 0.10730116715129 0.39385852327899 28.085 4 Si 0.86974689161850 0.39269883284871 0.89385852327898 28.085 5 Si 0.63025310838150 0.89269883284871 0.89385852327898 28.085 6 Si 0.86974689161850 0.60730116715129 0.39385852327899 28.085 7 Si 0.36974689161850 0.89269883284871 0.60614147672102 28.085 8 Si 0.13025310838150 0.60730116715129 0.10614147672101 28.085 *9 Si 0.18027531295719 0.06304233341597 0.41350068464894 28.085 10 Si 0.31972468704281 0.43695766658403 0.91350068464894 28.085 11 Si 0.81972468704281 0.06304233341597 0.08649931535106 28.085 12 Si 0.68027531295719 0.43695766658403 0.58649931535106 28.085 13 Si 0.81972468704281 0.93695766658403 0.58649931535106 28.085 14 Si 0.68027531295719 0.56304233341597 0.08649931535106 28.085 15 Si 0.18027531295719 0.93695766658403 0.91350068464894 28.085 16 Si 0.31972468704281 0.56304233341597 0.41350068464894 28.085 *17 Si 0.42657360586554 0.70733237982737 0.05589186292347 28.085 18 Si 0.07342639413446 0.79266762017263 0.55589186292347 28.085 19 Si 0.57342639413446 0.70733237982737 0.44410813707653 28.085 20 Si 0.92657360586554 0.79266762017263 0.94410813707653 28.085 21 Si 0.57342639413446 0.29266762017263 0.94410813707653 28.085 22 Si 0.92657360586554 0.20733237982737 0.44410813707653 28.085 23 Si 0.42657360586554 0.29266762017263 0.55589186292347 28.085 24 Si 0.07342639413446 0.20733237982737 0.05589186292347 28.085 *25 Ru 0.50000000000000 0.92497432279076 0.25000000000000 101.070 26 Ru 0.00000000000000 0.57502567720924 0.75000000000000 101.070 27 Ru 0.50000000000000 0.07502567720924 0.75000000000000 101.070 28 Ru 0.00000000000000 0.42497432279076 0.25000000000000 101.070 *29 Ru 0.50000000000000 0.45913290372138 0.25000000000000 101.070 30 Ru 0.00000000000000 0.04086709627862 0.75000000000000 101.070 31 Ru 0.50000000000000 0.54086709627862 0.75000000000000 101.070 32 Ru 0.00000000000000 0.95913290372138 0.25000000000000 101.070 *33 Ru 0.25387499948432 0.31271866029117 0.26455521517572 101.070 34 Ru 0.24612500051568 0.18728133970883 0.76455521517572 101.070 35 Ru 0.74612500051568 0.31271866029117 0.23544478482428 101.070 36 Ru 0.75387499948432 0.18728133970883 0.73544478482428 101.070 37 Ru 0.74612500051568 0.68728133970883 0.73544478482428 101.070 38 Ru 0.75387499948432 0.81271866029117 0.23544478482428 101.070 39 Ru 0.25387499948432 0.68728133970883 0.76455521517572 101.070 40 Ru 0.24612500051568 0.81271866029117 0.26455521517572 101.070 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.015497800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.929088719999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.514068299999999 Atomic positions (fractional): *1 Si 0.36974689161850 0.10730116715129 0.10614147672101 28.085 > 1 2 Si 0.13025310838150 0.39269883284871 0.60614147672102 28.085 > 2 3 Si 0.63025310838150 0.10730116715129 0.39385852327899 28.085 > 3 4 Si 0.86974689161850 0.39269883284871 0.89385852327898 28.085 > 4 5 Si 0.63025310838150 0.89269883284871 0.89385852327898 28.085 > 5 6 Si 0.86974689161850 0.60730116715129 0.39385852327899 28.085 > 6 7 Si 0.36974689161850 0.89269883284871 0.60614147672102 28.085 > 7 8 Si 0.13025310838150 0.60730116715129 0.10614147672101 28.085 > 8 *9 Si 0.18027531295719 0.06304233341597 0.41350068464894 28.085 > 9 10 Si 0.31972468704281 0.43695766658403 0.91350068464894 28.085 > 10 11 Si 0.81972468704281 0.06304233341597 0.08649931535106 28.085 > 11 12 Si 0.68027531295719 0.43695766658403 0.58649931535106 28.085 > 12 13 Si 0.81972468704281 0.93695766658403 0.58649931535106 28.085 > 13 14 Si 0.68027531295719 0.56304233341597 0.08649931535106 28.085 > 14 15 Si 0.18027531295719 0.93695766658403 0.91350068464894 28.085 > 15 16 Si 0.31972468704281 0.56304233341597 0.41350068464894 28.085 > 16 *17 Si 0.42657360586554 0.70733237982737 0.05589186292347 28.085 > 17 18 Si 0.07342639413446 0.79266762017263 0.55589186292347 28.085 > 18 19 Si 0.57342639413446 0.70733237982737 0.44410813707653 28.085 > 19 20 Si 0.92657360586554 0.79266762017263 0.94410813707653 28.085 > 20 21 Si 0.57342639413446 0.29266762017263 0.94410813707653 28.085 > 21 22 Si 0.92657360586554 0.20733237982737 0.44410813707653 28.085 > 22 23 Si 0.42657360586554 0.29266762017263 0.55589186292347 28.085 > 23 24 Si 0.07342639413446 0.20733237982737 0.05589186292347 28.085 > 24 *25 Ru 0.50000000000000 0.92497432279076 0.25000000000000 101.070 > 25 26 Ru 0.00000000000000 0.57502567720924 0.75000000000000 101.070 > 26 27 Ru 0.50000000000000 0.07502567720924 0.75000000000000 101.070 > 27 28 Ru 0.00000000000000 0.42497432279076 0.25000000000000 101.070 > 28 *29 Ru 0.50000000000000 0.45913290372138 0.25000000000000 101.070 > 29 30 Ru 0.00000000000000 0.04086709627862 0.75000000000000 101.070 > 30 31 Ru 0.50000000000000 0.54086709627862 0.75000000000000 101.070 > 31 32 Ru 0.00000000000000 0.95913290372138 0.25000000000000 101.070 > 32 *33 Ru 0.25387499948432 0.31271866029117 0.26455521517572 101.070 > 33 34 Ru 0.24612500051568 0.18728133970883 0.76455521517572 101.070 > 34 35 Ru 0.74612500051568 0.31271866029117 0.23544478482428 101.070 > 35 36 Ru 0.75387499948432 0.18728133970883 0.73544478482428 101.070 > 36 37 Ru 0.74612500051568 0.68728133970883 0.73544478482428 101.070 > 37 38 Ru 0.75387499948432 0.81271866029117 0.23544478482428 101.070 > 38 39 Ru 0.25387499948432 0.68728133970883 0.76455521517572 101.070 > 39 40 Ru 0.24612500051568 0.81271866029117 0.26455521517572 101.070 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.015497800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.929088719999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.028136599999998 Atomic positions (fractional): *1 Si 0.36974689161850 0.10730116715129 0.05307073836051 28.085 > 1 2 Si 0.36974689161850 0.10730116715129 0.55307073836051 28.085 > 1 3 Si 0.13025310838150 0.39269883284871 0.30307073836051 28.085 > 2 4 Si 0.13025310838150 0.39269883284871 0.80307073836051 28.085 > 2 5 Si 0.63025310838150 0.10730116715129 0.19692926163949 28.085 > 3 6 Si 0.63025310838150 0.10730116715129 0.69692926163949 28.085 > 3 7 Si 0.86974689161850 0.39269883284871 0.44692926163949 28.085 > 4 8 Si 0.86974689161850 0.39269883284871 0.94692926163949 28.085 > 4 9 Si 0.63025310838150 0.89269883284871 0.44692926163949 28.085 > 5 10 Si 0.63025310838150 0.89269883284871 0.94692926163949 28.085 > 5 11 Si 0.86974689161850 0.60730116715129 0.19692926163949 28.085 > 6 12 Si 0.86974689161850 0.60730116715129 0.69692926163949 28.085 > 6 13 Si 0.36974689161850 0.89269883284871 0.30307073836051 28.085 > 7 14 Si 0.36974689161850 0.89269883284871 0.80307073836051 28.085 > 7 15 Si 0.13025310838150 0.60730116715129 0.05307073836051 28.085 > 8 16 Si 0.13025310838150 0.60730116715129 0.55307073836051 28.085 > 8 *17 Si 0.18027531295719 0.06304233341597 0.20675034232447 28.085 > 9 18 Si 0.18027531295719 0.06304233341597 0.70675034232447 28.085 > 9 19 Si 0.31972468704281 0.43695766658403 0.45675034232447 28.085 > 10 20 Si 0.31972468704281 0.43695766658403 0.95675034232447 28.085 > 10 21 Si 0.81972468704281 0.06304233341597 0.04324965767553 28.085 > 11 22 Si 0.81972468704281 0.06304233341597 0.54324965767553 28.085 > 11 23 Si 0.68027531295719 0.43695766658403 0.29324965767553 28.085 > 12 24 Si 0.68027531295719 0.43695766658403 0.79324965767553 28.085 > 12 25 Si 0.81972468704281 0.93695766658403 0.29324965767553 28.085 > 13 26 Si 0.81972468704281 0.93695766658403 0.79324965767553 28.085 > 13 27 Si 0.68027531295719 0.56304233341597 0.04324965767553 28.085 > 14 28 Si 0.68027531295719 0.56304233341597 0.54324965767553 28.085 > 14 29 Si 0.18027531295719 0.93695766658403 0.45675034232447 28.085 > 15 30 Si 0.18027531295719 0.93695766658403 0.95675034232447 28.085 > 15 31 Si 0.31972468704281 0.56304233341597 0.20675034232447 28.085 > 16 32 Si 0.31972468704281 0.56304233341597 0.70675034232447 28.085 > 16 *33 Si 0.42657360586554 0.70733237982737 0.02794593146173 28.085 > 17 34 Si 0.42657360586554 0.70733237982737 0.52794593146173 28.085 > 17 35 Si 0.07342639413446 0.79266762017263 0.27794593146173 28.085 > 18 36 Si 0.07342639413446 0.79266762017263 0.77794593146173 28.085 > 18 37 Si 0.57342639413446 0.70733237982737 0.22205406853827 28.085 > 19 38 Si 0.57342639413446 0.70733237982737 0.72205406853827 28.085 > 19 39 Si 0.92657360586554 0.79266762017263 0.47205406853827 28.085 > 20 40 Si 0.92657360586554 0.79266762017263 0.97205406853827 28.085 > 20 41 Si 0.57342639413446 0.29266762017263 0.47205406853827 28.085 > 21 42 Si 0.57342639413446 0.29266762017263 0.97205406853827 28.085 > 21 43 Si 0.92657360586554 0.20733237982737 0.22205406853827 28.085 > 22 44 Si 0.92657360586554 0.20733237982737 0.72205406853827 28.085 > 22 45 Si 0.42657360586554 0.29266762017263 0.27794593146173 28.085 > 23 46 Si 0.42657360586554 0.29266762017263 0.77794593146173 28.085 > 23 47 Si 0.07342639413446 0.20733237982737 0.02794593146173 28.085 > 24 48 Si 0.07342639413446 0.20733237982737 0.52794593146173 28.085 > 24 *49 Ru 0.50000000000000 0.92497432279076 0.12500000000000 101.070 > 25 50 Ru 0.50000000000000 0.92497432279076 0.62500000000000 101.070 > 25 51 Ru 0.00000000000000 0.57502567720924 0.37500000000000 101.070 > 26 52 Ru 0.00000000000000 0.57502567720924 0.87500000000000 101.070 > 26 53 Ru 0.50000000000000 0.07502567720924 0.37500000000000 101.070 > 27 54 Ru 0.50000000000000 0.07502567720924 0.87500000000000 101.070 > 27 55 Ru 0.00000000000000 0.42497432279076 0.12500000000000 101.070 > 28 56 Ru 0.00000000000000 0.42497432279076 0.62500000000000 101.070 > 28 *57 Ru 0.50000000000000 0.45913290372138 0.12500000000000 101.070 > 29 58 Ru 0.50000000000000 0.45913290372138 0.62500000000000 101.070 > 29 59 Ru 0.00000000000000 0.04086709627862 0.37500000000000 101.070 > 30 60 Ru 0.00000000000000 0.04086709627862 0.87500000000000 101.070 > 30 61 Ru 0.50000000000000 0.54086709627862 0.37500000000000 101.070 > 31 62 Ru 0.50000000000000 0.54086709627862 0.87500000000000 101.070 > 31 63 Ru 0.00000000000000 0.95913290372138 0.12500000000000 101.070 > 32 64 Ru 0.00000000000000 0.95913290372138 0.62500000000000 101.070 > 32 *65 Ru 0.25387499948432 0.31271866029117 0.13227760758786 101.070 > 33 66 Ru 0.25387499948432 0.31271866029117 0.63227760758786 101.070 > 33 67 Ru 0.24612500051568 0.18728133970883 0.38227760758786 101.070 > 34 68 Ru 0.24612500051568 0.18728133970883 0.88227760758786 101.070 > 34 69 Ru 0.74612500051568 0.31271866029117 0.11772239241214 101.070 > 35 70 Ru 0.74612500051568 0.31271866029117 0.61772239241214 101.070 > 35 71 Ru 0.75387499948432 0.18728133970883 0.36772239241214 101.070 > 36 72 Ru 0.75387499948432 0.18728133970883 0.86772239241214 101.070 > 36 73 Ru 0.74612500051568 0.68728133970883 0.36772239241214 101.070 > 37 74 Ru 0.74612500051568 0.68728133970883 0.86772239241214 101.070 > 37 75 Ru 0.75387499948432 0.81271866029117 0.11772239241214 101.070 > 38 76 Ru 0.75387499948432 0.81271866029117 0.61772239241214 101.070 > 38 77 Ru 0.25387499948432 0.68728133970883 0.38227760758786 101.070 > 39 78 Ru 0.25387499948432 0.68728133970883 0.88227760758786 101.070 > 39 79 Ru 0.24612500051568 0.81271866029117 0.13227760758786 101.070 > 40 80 Ru 0.24612500051568 0.81271866029117 0.63227760758786 101.070 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.9468897 0.0000000 0.0000000 0.0000000 20.7156432 0.0000000 0.0000000 0.0000000 20.6086942 -------------------------- Born effective charges -------------------------- 1 Si 4.1213196 -0.2716857 -0.0160424 -0.5251185 4.3869014 -0.1495748 -0.2450865 -0.2436070 4.1592688 2 Si 4.1213196 -0.2716857 0.0160424 -0.5251185 4.3869014 0.1495748 0.2450865 0.2436070 4.1592688 3 Si 4.1213196 0.2716857 -0.0160424 0.5251185 4.3869014 0.1495748 -0.2450865 0.2436070 4.1592688 4 Si 4.1213196 0.2716857 0.0160424 0.5251185 4.3869014 -0.1495748 0.2450865 -0.2436070 4.1592688 5 Si 4.1213196 -0.2716857 -0.0160424 -0.5251185 4.3869014 -0.1495748 -0.2450865 -0.2436070 4.1592688 6 Si 4.1213196 -0.2716857 0.0160424 -0.5251185 4.3869014 0.1495748 0.2450865 0.2436070 4.1592688 7 Si 4.1213196 0.2716857 -0.0160424 0.5251185 4.3869014 0.1495748 -0.2450865 0.2436070 4.1592688 8 Si 4.1213196 0.2716857 0.0160424 0.5251185 4.3869014 -0.1495748 0.2450865 -0.2436070 4.1592688 9 Si 3.8885630 0.4737519 -0.1919713 0.4592891 4.2118650 0.2468792 -0.3166484 0.1646374 3.8625819 10 Si 3.8885630 0.4737519 0.1919713 0.4592891 4.2118650 -0.2468792 0.3166484 -0.1646374 3.8625819 11 Si 3.8885630 -0.4737519 -0.1919713 -0.4592891 4.2118650 -0.2468792 -0.3166484 -0.1646374 3.8625819 12 Si 3.8885630 -0.4737519 0.1919713 -0.4592891 4.2118650 0.2468792 0.3166484 0.1646374 3.8625819 13 Si 3.8885630 0.4737519 -0.1919713 0.4592891 4.2118650 0.2468792 -0.3166484 0.1646374 3.8625819 14 Si 3.8885630 0.4737519 0.1919713 0.4592891 4.2118650 -0.2468792 0.3166484 -0.1646374 3.8625819 15 Si 3.8885630 -0.4737519 -0.1919713 -0.4592891 4.2118650 -0.2468792 -0.3166484 -0.1646374 3.8625819 16 Si 3.8885630 -0.4737519 0.1919713 -0.4592891 4.2118650 0.2468792 0.3166484 0.1646374 3.8625819 17 Si 3.9822956 -0.3697411 0.2974414 -0.5741716 4.2842762 0.6030846 0.2155767 0.3006637 3.9282683 18 Si 3.9822956 -0.3697411 -0.2974414 -0.5741716 4.2842762 -0.6030846 -0.2155767 -0.3006637 3.9282683 19 Si 3.9822956 0.3697411 0.2974414 0.5741716 4.2842762 -0.6030846 0.2155767 -0.3006637 3.9282683 20 Si 3.9822956 0.3697411 -0.2974414 0.5741716 4.2842762 0.6030846 -0.2155767 0.3006637 3.9282683 21 Si 3.9822956 -0.3697411 0.2974414 -0.5741716 4.2842762 0.6030846 0.2155767 0.3006637 3.9282683 22 Si 3.9822956 -0.3697411 -0.2974414 -0.5741716 4.2842762 -0.6030846 -0.2155767 -0.3006637 3.9282683 23 Si 3.9822956 0.3697411 0.2974414 0.5741716 4.2842762 -0.6030846 0.2155767 -0.3006637 3.9282683 24 Si 3.9822956 0.3697411 -0.2974414 0.5741716 4.2842762 0.6030846 -0.2155767 0.3006637 3.9282683 25 Ru -6.2331612 0.0000000 0.5101763 0.0000000 -5.7057798 0.0000000 0.2412825 0.0000000 -6.0842523 26 Ru -6.2331612 0.0000000 -0.5101763 0.0000000 -5.7057798 0.0000000 -0.2412825 0.0000000 -6.0842523 27 Ru -6.2331612 0.0000000 0.5101763 0.0000000 -5.7057798 0.0000000 0.2412825 0.0000000 -6.0842523 28 Ru -6.2331612 0.0000000 -0.5101763 0.0000000 -5.7057798 0.0000000 -0.2412825 0.0000000 -6.0842523 29 Ru -5.3456451 0.0000000 -0.6010931 0.0000000 -6.3049336 0.0000000 -0.7719543 0.0000000 -6.0538066 30 Ru -5.3456451 0.0000000 0.6010931 0.0000000 -6.3049336 0.0000000 0.7719543 0.0000000 -6.0538066 31 Ru -5.3456451 0.0000000 -0.6010931 0.0000000 -6.3049336 0.0000000 -0.7719543 0.0000000 -6.0538066 32 Ru -5.3456451 0.0000000 0.6010931 0.0000000 -6.3049336 0.0000000 0.7719543 0.0000000 -6.0538066 33 Ru -6.2027751 -0.4993539 -0.1516594 0.0072786 -6.8776859 -0.0402691 -0.3635387 -0.1146011 -5.8810894 34 Ru -6.2027751 -0.4993539 0.1516594 0.0072786 -6.8776859 0.0402691 0.3635387 0.1146011 -5.8810894 35 Ru -6.2027751 0.4993539 -0.1516594 -0.0072786 -6.8776859 0.0402691 -0.3635387 0.1146011 -5.8810894 36 Ru -6.2027751 0.4993539 0.1516594 -0.0072786 -6.8776859 -0.0402691 0.3635387 -0.1146011 -5.8810894 37 Ru -6.2027751 -0.4993539 -0.1516594 0.0072786 -6.8776859 -0.0402691 -0.3635387 -0.1146011 -5.8810894 38 Ru -6.2027751 -0.4993539 0.1516594 0.0072786 -6.8776859 0.0402691 0.3635387 0.1146011 -5.8810894 39 Ru -6.2027751 0.4993539 -0.1516594 -0.0072786 -6.8776859 0.0402691 -0.3635387 0.1146011 -5.8810894 40 Ru -6.2027751 0.4993539 0.1516594 -0.0072786 -6.8776859 -0.0402691 0.3635387 -0.1146011 -5.8810894 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1848), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 396), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.179 Solver_block: 200 / 640 - Time: 2.179 Solver_block: 300 / 640 - Time: 2.175 Solver_block: 400 / 640 - Time: 2.176 Solver_block: 500 / 640 - Time: 2.180 Solver_block: 600 / 640 - Time: 2.182 Solver_block: 640 / 640 - Time: 0.933 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.051 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1894 Number of blocks in projector: 1894 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: 408 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 392 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 234 Use standard eigh solver. Tree of FC basis block matrices: - (1894, 1848), data: False |-- (234, 228), data: True |-- (234, 228), data: True |-- (234, 228), data: True |-- (392, 384), data: True |-- (392, 384), data: True |-- (408, 396), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:07:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:07:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.015497800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.929088719999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.514068299999999 Atomic positions (fractional): 1 Si 0.36974689161850 0.10730116715129 0.10614147672101 28.085 2 Si 0.13025310838150 0.39269883284871 0.60614147672102 28.085 3 Si 0.63025310838150 0.10730116715129 0.39385852327899 28.085 4 Si 0.86974689161850 0.39269883284871 0.89385852327898 28.085 5 Si 0.63025310838150 0.89269883284871 0.89385852327898 28.085 6 Si 0.86974689161850 0.60730116715129 0.39385852327899 28.085 7 Si 0.36974689161850 0.89269883284871 0.60614147672102 28.085 8 Si 0.13025310838150 0.60730116715129 0.10614147672101 28.085 9 Si 0.18027531295719 0.06304233341597 0.41350068464894 28.085 10 Si 0.31972468704281 0.43695766658403 0.91350068464894 28.085 11 Si 0.81972468704281 0.06304233341597 0.08649931535106 28.085 12 Si 0.68027531295719 0.43695766658403 0.58649931535106 28.085 13 Si 0.81972468704281 0.93695766658403 0.58649931535106 28.085 14 Si 0.68027531295719 0.56304233341597 0.08649931535106 28.085 15 Si 0.18027531295719 0.93695766658403 0.91350068464894 28.085 16 Si 0.31972468704281 0.56304233341597 0.41350068464894 28.085 17 Si 0.42657360586554 0.70733237982737 0.05589186292347 28.085 18 Si 0.07342639413446 0.79266762017263 0.55589186292347 28.085 19 Si 0.57342639413446 0.70733237982737 0.44410813707653 28.085 20 Si 0.92657360586554 0.79266762017263 0.94410813707653 28.085 21 Si 0.57342639413446 0.29266762017263 0.94410813707653 28.085 22 Si 0.92657360586554 0.20733237982737 0.44410813707653 28.085 23 Si 0.42657360586554 0.29266762017263 0.55589186292347 28.085 24 Si 0.07342639413446 0.20733237982737 0.05589186292347 28.085 25 Ru 0.50000000000000 0.92497432279076 0.25000000000000 101.070 26 Ru 0.00000000000000 0.57502567720924 0.75000000000000 101.070 27 Ru 0.50000000000000 0.07502567720924 0.75000000000000 101.070 28 Ru 0.00000000000000 0.42497432279076 0.25000000000000 101.070 29 Ru 0.50000000000000 0.45913290372138 0.25000000000000 101.070 30 Ru 0.00000000000000 0.04086709627862 0.75000000000000 101.070 31 Ru 0.50000000000000 0.54086709627862 0.75000000000000 101.070 32 Ru 0.00000000000000 0.95913290372138 0.25000000000000 101.070 33 Ru 0.25387499948432 0.31271866029117 0.26455521517572 101.070 34 Ru 0.24612500051568 0.18728133970883 0.76455521517572 101.070 35 Ru 0.74612500051568 0.31271866029117 0.23544478482428 101.070 36 Ru 0.75387499948432 0.18728133970883 0.73544478482428 101.070 37 Ru 0.74612500051568 0.68728133970883 0.73544478482428 101.070 38 Ru 0.75387499948432 0.81271866029117 0.23544478482428 101.070 39 Ru 0.25387499948432 0.68728133970883 0.76455521517572 101.070 40 Ru 0.24612500051568 0.81271866029117 0.26455521517572 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.015497800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.929088719999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.028136599999998 Atomic positions (fractional): 1 Si 0.36974689161850 0.10730116715129 0.05307073836051 28.085 > 1 2 Si 0.36974689161850 0.10730116715129 0.55307073836051 28.085 > 1 3 Si 0.13025310838150 0.39269883284871 0.30307073836051 28.085 > 3 4 Si 0.13025310838150 0.39269883284871 0.80307073836051 28.085 > 3 5 Si 0.63025310838150 0.10730116715129 0.19692926163949 28.085 > 5 6 Si 0.63025310838150 0.10730116715129 0.69692926163949 28.085 > 5 7 Si 0.86974689161850 0.39269883284871 0.44692926163949 28.085 > 7 8 Si 0.86974689161850 0.39269883284871 0.94692926163949 28.085 > 7 9 Si 0.63025310838150 0.89269883284871 0.44692926163949 28.085 > 9 10 Si 0.63025310838150 0.89269883284871 0.94692926163949 28.085 > 9 11 Si 0.86974689161850 0.60730116715129 0.19692926163949 28.085 > 11 12 Si 0.86974689161850 0.60730116715129 0.69692926163949 28.085 > 11 13 Si 0.36974689161850 0.89269883284871 0.30307073836051 28.085 > 13 14 Si 0.36974689161850 0.89269883284871 0.80307073836051 28.085 > 13 15 Si 0.13025310838150 0.60730116715129 0.05307073836051 28.085 > 15 16 Si 0.13025310838150 0.60730116715129 0.55307073836051 28.085 > 15 17 Si 0.18027531295719 0.06304233341597 0.20675034232447 28.085 > 17 18 Si 0.18027531295719 0.06304233341597 0.70675034232447 28.085 > 17 19 Si 0.31972468704281 0.43695766658403 0.45675034232447 28.085 > 19 20 Si 0.31972468704281 0.43695766658403 0.95675034232447 28.085 > 19 21 Si 0.81972468704281 0.06304233341597 0.04324965767553 28.085 > 21 22 Si 0.81972468704281 0.06304233341597 0.54324965767553 28.085 > 21 23 Si 0.68027531295719 0.43695766658403 0.29324965767553 28.085 > 23 24 Si 0.68027531295719 0.43695766658403 0.79324965767553 28.085 > 23 25 Si 0.81972468704281 0.93695766658403 0.29324965767553 28.085 > 25 26 Si 0.81972468704281 0.93695766658403 0.79324965767553 28.085 > 25 27 Si 0.68027531295719 0.56304233341597 0.04324965767553 28.085 > 27 28 Si 0.68027531295719 0.56304233341597 0.54324965767553 28.085 > 27 29 Si 0.18027531295719 0.93695766658403 0.45675034232447 28.085 > 29 30 Si 0.18027531295719 0.93695766658403 0.95675034232447 28.085 > 29 31 Si 0.31972468704281 0.56304233341597 0.20675034232447 28.085 > 31 32 Si 0.31972468704281 0.56304233341597 0.70675034232447 28.085 > 31 33 Si 0.42657360586554 0.70733237982737 0.02794593146173 28.085 > 33 34 Si 0.42657360586554 0.70733237982737 0.52794593146173 28.085 > 33 35 Si 0.07342639413446 0.79266762017263 0.27794593146173 28.085 > 35 36 Si 0.07342639413446 0.79266762017263 0.77794593146173 28.085 > 35 37 Si 0.57342639413446 0.70733237982737 0.22205406853827 28.085 > 37 38 Si 0.57342639413446 0.70733237982737 0.72205406853827 28.085 > 37 39 Si 0.92657360586554 0.79266762017263 0.47205406853827 28.085 > 39 40 Si 0.92657360586554 0.79266762017263 0.97205406853827 28.085 > 39 41 Si 0.57342639413446 0.29266762017263 0.47205406853827 28.085 > 41 42 Si 0.57342639413446 0.29266762017263 0.97205406853827 28.085 > 41 43 Si 0.92657360586554 0.20733237982737 0.22205406853827 28.085 > 43 44 Si 0.92657360586554 0.20733237982737 0.72205406853827 28.085 > 43 45 Si 0.42657360586554 0.29266762017263 0.27794593146173 28.085 > 45 46 Si 0.42657360586554 0.29266762017263 0.77794593146173 28.085 > 45 47 Si 0.07342639413446 0.20733237982737 0.02794593146173 28.085 > 47 48 Si 0.07342639413446 0.20733237982737 0.52794593146173 28.085 > 47 49 Ru 0.50000000000000 0.92497432279076 0.12500000000000 101.070 > 49 50 Ru 0.50000000000000 0.92497432279076 0.62500000000000 101.070 > 49 51 Ru 0.00000000000000 0.57502567720924 0.37500000000000 101.070 > 51 52 Ru 0.00000000000000 0.57502567720924 0.87500000000000 101.070 > 51 53 Ru 0.50000000000000 0.07502567720924 0.37500000000000 101.070 > 53 54 Ru 0.50000000000000 0.07502567720924 0.87500000000000 101.070 > 53 55 Ru 0.00000000000000 0.42497432279076 0.12500000000000 101.070 > 55 56 Ru 0.00000000000000 0.42497432279076 0.62500000000000 101.070 > 55 57 Ru 0.50000000000000 0.45913290372138 0.12500000000000 101.070 > 57 58 Ru 0.50000000000000 0.45913290372138 0.62500000000000 101.070 > 57 59 Ru 0.00000000000000 0.04086709627862 0.37500000000000 101.070 > 59 60 Ru 0.00000000000000 0.04086709627862 0.87500000000000 101.070 > 59 61 Ru 0.50000000000000 0.54086709627862 0.37500000000000 101.070 > 61 62 Ru 0.50000000000000 0.54086709627862 0.87500000000000 101.070 > 61 63 Ru 0.00000000000000 0.95913290372138 0.12500000000000 101.070 > 63 64 Ru 0.00000000000000 0.95913290372138 0.62500000000000 101.070 > 63 65 Ru 0.25387499948432 0.31271866029117 0.13227760758786 101.070 > 65 66 Ru 0.25387499948432 0.31271866029117 0.63227760758786 101.070 > 65 67 Ru 0.24612500051568 0.18728133970883 0.38227760758786 101.070 > 67 68 Ru 0.24612500051568 0.18728133970883 0.88227760758786 101.070 > 67 69 Ru 0.74612500051568 0.31271866029117 0.11772239241214 101.070 > 69 70 Ru 0.74612500051568 0.31271866029117 0.61772239241214 101.070 > 69 71 Ru 0.75387499948432 0.18728133970883 0.36772239241214 101.070 > 71 72 Ru 0.75387499948432 0.18728133970883 0.86772239241214 101.070 > 71 73 Ru 0.74612500051568 0.68728133970883 0.36772239241214 101.070 > 73 74 Ru 0.74612500051568 0.68728133970883 0.86772239241214 101.070 > 73 75 Ru 0.75387499948432 0.81271866029117 0.11772239241214 101.070 > 75 76 Ru 0.75387499948432 0.81271866029117 0.61772239241214 101.070 > 75 77 Ru 0.25387499948432 0.68728133970883 0.38227760758786 101.070 > 77 78 Ru 0.25387499948432 0.68728133970883 0.88227760758786 101.070 > 77 79 Ru 0.24612500051568 0.81271866029117 0.13227760758786 101.070 > 79 80 Ru 0.24612500051568 0.81271866029117 0.63227760758786 101.070 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 19.9468897 0.0000000 0.0000000 0.0000000 20.7156432 0.0000000 0.0000000 0.0000000 20.6086942 -------------------------- Born effective charges -------------------------- 1 Si 4.1213196 -0.2716857 -0.0160424 -0.5251185 4.3869014 -0.1495748 -0.2450865 -0.2436070 4.1592688 2 Si 4.1213196 -0.2716857 0.0160424 -0.5251185 4.3869014 0.1495748 0.2450865 0.2436070 4.1592688 3 Si 4.1213196 0.2716857 -0.0160424 0.5251185 4.3869014 0.1495748 -0.2450865 0.2436070 4.1592688 4 Si 4.1213196 0.2716857 0.0160424 0.5251185 4.3869014 -0.1495748 0.2450865 -0.2436070 4.1592688 5 Si 4.1213196 -0.2716857 -0.0160424 -0.5251185 4.3869014 -0.1495748 -0.2450865 -0.2436070 4.1592688 6 Si 4.1213196 -0.2716857 0.0160424 -0.5251185 4.3869014 0.1495748 0.2450865 0.2436070 4.1592688 7 Si 4.1213196 0.2716857 -0.0160424 0.5251185 4.3869014 0.1495748 -0.2450865 0.2436070 4.1592688 8 Si 4.1213196 0.2716857 0.0160424 0.5251185 4.3869014 -0.1495748 0.2450865 -0.2436070 4.1592688 9 Si 3.8885630 0.4737519 -0.1919713 0.4592891 4.2118650 0.2468792 -0.3166484 0.1646374 3.8625819 10 Si 3.8885630 0.4737519 0.1919713 0.4592891 4.2118650 -0.2468792 0.3166484 -0.1646374 3.8625819 11 Si 3.8885630 -0.4737519 -0.1919713 -0.4592891 4.2118650 -0.2468792 -0.3166484 -0.1646374 3.8625819 12 Si 3.8885630 -0.4737519 0.1919713 -0.4592891 4.2118650 0.2468792 0.3166484 0.1646374 3.8625819 13 Si 3.8885630 0.4737519 -0.1919713 0.4592891 4.2118650 0.2468792 -0.3166484 0.1646374 3.8625819 14 Si 3.8885630 0.4737519 0.1919713 0.4592891 4.2118650 -0.2468792 0.3166484 -0.1646374 3.8625819 15 Si 3.8885630 -0.4737519 -0.1919713 -0.4592891 4.2118650 -0.2468792 -0.3166484 -0.1646374 3.8625819 16 Si 3.8885630 -0.4737519 0.1919713 -0.4592891 4.2118650 0.2468792 0.3166484 0.1646374 3.8625819 17 Si 3.9822956 -0.3697411 0.2974414 -0.5741716 4.2842762 0.6030846 0.2155767 0.3006637 3.9282683 18 Si 3.9822956 -0.3697411 -0.2974414 -0.5741716 4.2842762 -0.6030846 -0.2155767 -0.3006637 3.9282683 19 Si 3.9822956 0.3697411 0.2974414 0.5741716 4.2842762 -0.6030846 0.2155767 -0.3006637 3.9282683 20 Si 3.9822956 0.3697411 -0.2974414 0.5741716 4.2842762 0.6030846 -0.2155767 0.3006637 3.9282683 21 Si 3.9822956 -0.3697411 0.2974414 -0.5741716 4.2842762 0.6030846 0.2155767 0.3006637 3.9282683 22 Si 3.9822956 -0.3697411 -0.2974414 -0.5741716 4.2842762 -0.6030846 -0.2155767 -0.3006637 3.9282683 23 Si 3.9822956 0.3697411 0.2974414 0.5741716 4.2842762 -0.6030846 0.2155767 -0.3006637 3.9282683 24 Si 3.9822956 0.3697411 -0.2974414 0.5741716 4.2842762 0.6030846 -0.2155767 0.3006637 3.9282683 25 Ru -6.2331612 0.0000000 0.5101763 0.0000000 -5.7057798 0.0000000 0.2412825 0.0000000 -6.0842523 26 Ru -6.2331612 0.0000000 -0.5101763 0.0000000 -5.7057798 0.0000000 -0.2412825 0.0000000 -6.0842523 27 Ru -6.2331612 0.0000000 0.5101763 0.0000000 -5.7057798 0.0000000 0.2412825 0.0000000 -6.0842523 28 Ru -6.2331612 0.0000000 -0.5101763 0.0000000 -5.7057798 0.0000000 -0.2412825 0.0000000 -6.0842523 29 Ru -5.3456451 0.0000000 -0.6010931 0.0000000 -6.3049336 0.0000000 -0.7719543 0.0000000 -6.0538066 30 Ru -5.3456451 0.0000000 0.6010931 0.0000000 -6.3049336 0.0000000 0.7719543 0.0000000 -6.0538066 31 Ru -5.3456451 0.0000000 -0.6010931 0.0000000 -6.3049336 0.0000000 -0.7719543 0.0000000 -6.0538066 32 Ru -5.3456451 0.0000000 0.6010931 0.0000000 -6.3049336 0.0000000 0.7719543 0.0000000 -6.0538066 33 Ru -6.2027751 -0.4993539 -0.1516594 0.0072786 -6.8776859 -0.0402691 -0.3635387 -0.1146011 -5.8810894 34 Ru -6.2027751 -0.4993539 0.1516594 0.0072786 -6.8776859 0.0402691 0.3635387 0.1146011 -5.8810894 35 Ru -6.2027751 0.4993539 -0.1516594 -0.0072786 -6.8776859 0.0402691 -0.3635387 0.1146011 -5.8810894 36 Ru -6.2027751 0.4993539 0.1516594 -0.0072786 -6.8776859 -0.0402691 0.3635387 -0.1146011 -5.8810894 37 Ru -6.2027751 -0.4993539 -0.1516594 0.0072786 -6.8776859 -0.0402691 -0.3635387 -0.1146011 -5.8810894 38 Ru -6.2027751 -0.4993539 0.1516594 0.0072786 -6.8776859 0.0402691 0.3635387 0.1146011 -5.8810894 39 Ru -6.2027751 0.4993539 -0.1516594 -0.0072786 -6.8776859 0.0402691 -0.3635387 0.1146011 -5.8810894 40 Ru -6.2027751 0.4993539 0.1516594 -0.0072786 -6.8776859 -0.0402691 0.3635387 -0.1146011 -5.8810894 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, 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[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:07:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:07:25]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.015497800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.929088719999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.514068299999999 Atomic positions (fractional): 1 Si 0.36974689161850 0.10730116715129 0.10614147672101 28.085 2 Si 0.13025310838150 0.39269883284871 0.60614147672102 28.085 3 Si 0.63025310838150 0.10730116715129 0.39385852327899 28.085 4 Si 0.86974689161850 0.39269883284871 0.89385852327898 28.085 5 Si 0.63025310838150 0.89269883284871 0.89385852327898 28.085 6 Si 0.86974689161850 0.60730116715129 0.39385852327899 28.085 7 Si 0.36974689161850 0.89269883284871 0.60614147672102 28.085 8 Si 0.13025310838150 0.60730116715129 0.10614147672101 28.085 9 Si 0.18027531295719 0.06304233341597 0.41350068464894 28.085 10 Si 0.31972468704281 0.43695766658403 0.91350068464894 28.085 11 Si 0.81972468704281 0.06304233341597 0.08649931535106 28.085 12 Si 0.68027531295719 0.43695766658403 0.58649931535106 28.085 13 Si 0.81972468704281 0.93695766658403 0.58649931535106 28.085 14 Si 0.68027531295719 0.56304233341597 0.08649931535106 28.085 15 Si 0.18027531295719 0.93695766658403 0.91350068464894 28.085 16 Si 0.31972468704281 0.56304233341597 0.41350068464894 28.085 17 Si 0.42657360586554 0.70733237982737 0.05589186292347 28.085 18 Si 0.07342639413446 0.79266762017263 0.55589186292347 28.085 19 Si 0.57342639413446 0.70733237982737 0.44410813707653 28.085 20 Si 0.92657360586554 0.79266762017263 0.94410813707653 28.085 21 Si 0.57342639413446 0.29266762017263 0.94410813707653 28.085 22 Si 0.92657360586554 0.20733237982737 0.44410813707653 28.085 23 Si 0.42657360586554 0.29266762017263 0.55589186292347 28.085 24 Si 0.07342639413446 0.20733237982737 0.05589186292347 28.085 25 Ru 0.50000000000000 0.92497432279076 0.25000000000000 101.070 26 Ru 0.00000000000000 0.57502567720924 0.75000000000000 101.070 27 Ru 0.50000000000000 0.07502567720924 0.75000000000000 101.070 28 Ru 0.00000000000000 0.42497432279076 0.25000000000000 101.070 29 Ru 0.50000000000000 0.45913290372138 0.25000000000000 101.070 30 Ru 0.00000000000000 0.04086709627862 0.75000000000000 101.070 31 Ru 0.50000000000000 0.54086709627862 0.75000000000000 101.070 32 Ru 0.00000000000000 0.95913290372138 0.25000000000000 101.070 33 Ru 0.25387499948432 0.31271866029117 0.26455521517572 101.070 34 Ru 0.24612500051568 0.18728133970883 0.76455521517572 101.070 35 Ru 0.74612500051568 0.31271866029117 0.23544478482428 101.070 36 Ru 0.75387499948432 0.18728133970883 0.73544478482428 101.070 37 Ru 0.74612500051568 0.68728133970883 0.73544478482428 101.070 38 Ru 0.75387499948432 0.81271866029117 0.23544478482428 101.070 39 Ru 0.25387499948432 0.68728133970883 0.76455521517572 101.070 40 Ru 0.24612500051568 0.81271866029117 0.26455521517572 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.015497800000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.929088719999998 0.000000000000000 c 0.000000000000000 0.000000000000000 11.028136599999998 Atomic positions (fractional): 1 Si 0.36974689161850 0.10730116715129 0.05307073836051 28.085 > 1 2 Si 0.36974689161850 0.10730116715129 0.55307073836051 28.085 > 1 3 Si 0.13025310838150 0.39269883284871 0.30307073836051 28.085 > 3 4 Si 0.13025310838150 0.39269883284871 0.80307073836051 28.085 > 3 5 Si 0.63025310838150 0.10730116715129 0.19692926163949 28.085 > 5 6 Si 0.63025310838150 0.10730116715129 0.69692926163949 28.085 > 5 7 Si 0.86974689161850 0.39269883284871 0.44692926163949 28.085 > 7 8 Si 0.86974689161850 0.39269883284871 0.94692926163949 28.085 > 7 9 Si 0.63025310838150 0.89269883284871 0.44692926163949 28.085 > 9 10 Si 0.63025310838150 0.89269883284871 0.94692926163949 28.085 > 9 11 Si 0.86974689161850 0.60730116715129 0.19692926163949 28.085 > 11 12 Si 0.86974689161850 0.60730116715129 0.69692926163949 28.085 > 11 13 Si 0.36974689161850 0.89269883284871 0.30307073836051 28.085 > 13 14 Si 0.36974689161850 0.89269883284871 0.80307073836051 28.085 > 13 15 Si 0.13025310838150 0.60730116715129 0.05307073836051 28.085 > 15 16 Si 0.13025310838150 0.60730116715129 0.55307073836051 28.085 > 15 17 Si 0.18027531295719 0.06304233341597 0.20675034232447 28.085 > 17 18 Si 0.18027531295719 0.06304233341597 0.70675034232447 28.085 > 17 19 Si 0.31972468704281 0.43695766658403 0.45675034232447 28.085 > 19 20 Si 0.31972468704281 0.43695766658403 0.95675034232447 28.085 > 19 21 Si 0.81972468704281 0.06304233341597 0.04324965767553 28.085 > 21 22 Si 0.81972468704281 0.06304233341597 0.54324965767553 28.085 > 21 23 Si 0.68027531295719 0.43695766658403 0.29324965767553 28.085 > 23 24 Si 0.68027531295719 0.43695766658403 0.79324965767553 28.085 > 23 25 Si 0.81972468704281 0.93695766658403 0.29324965767553 28.085 > 25 26 Si 0.81972468704281 0.93695766658403 0.79324965767553 28.085 > 25 27 Si 0.68027531295719 0.56304233341597 0.04324965767553 28.085 > 27 28 Si 0.68027531295719 0.56304233341597 0.54324965767553 28.085 > 27 29 Si 0.18027531295719 0.93695766658403 0.45675034232447 28.085 > 29 30 Si 0.18027531295719 0.93695766658403 0.95675034232447 28.085 > 29 31 Si 0.31972468704281 0.56304233341597 0.20675034232447 28.085 > 31 32 Si 0.31972468704281 0.56304233341597 0.70675034232447 28.085 > 31 33 Si 0.42657360586554 0.70733237982737 0.02794593146173 28.085 > 33 34 Si 0.42657360586554 0.70733237982737 0.52794593146173 28.085 > 33 35 Si 0.07342639413446 0.79266762017263 0.27794593146173 28.085 > 35 36 Si 0.07342639413446 0.79266762017263 0.77794593146173 28.085 > 35 37 Si 0.57342639413446 0.70733237982737 0.22205406853827 28.085 > 37 38 Si 0.57342639413446 0.70733237982737 0.72205406853827 28.085 > 37 39 Si 0.92657360586554 0.79266762017263 0.47205406853827 28.085 > 39 40 Si 0.92657360586554 0.79266762017263 0.97205406853827 28.085 > 39 41 Si 0.57342639413446 0.29266762017263 0.47205406853827 28.085 > 41 42 Si 0.57342639413446 0.29266762017263 0.97205406853827 28.085 > 41 43 Si 0.92657360586554 0.20733237982737 0.22205406853827 28.085 > 43 44 Si 0.92657360586554 0.20733237982737 0.72205406853827 28.085 > 43 45 Si 0.42657360586554 0.29266762017263 0.27794593146173 28.085 > 45 46 Si 0.42657360586554 0.29266762017263 0.77794593146173 28.085 > 45 47 Si 0.07342639413446 0.20733237982737 0.02794593146173 28.085 > 47 48 Si 0.07342639413446 0.20733237982737 0.52794593146173 28.085 > 47 49 Ru 0.50000000000000 0.92497432279076 0.12500000000000 101.070 > 49 50 Ru 0.50000000000000 0.92497432279076 0.62500000000000 101.070 > 49 51 Ru 0.00000000000000 0.57502567720924 0.37500000000000 101.070 > 51 52 Ru 0.00000000000000 0.57502567720924 0.87500000000000 101.070 > 51 53 Ru 0.50000000000000 0.07502567720924 0.37500000000000 101.070 > 53 54 Ru 0.50000000000000 0.07502567720924 0.87500000000000 101.070 > 53 55 Ru 0.00000000000000 0.42497432279076 0.12500000000000 101.070 > 55 56 Ru 0.00000000000000 0.42497432279076 0.62500000000000 101.070 > 55 57 Ru 0.50000000000000 0.45913290372138 0.12500000000000 101.070 > 57 58 Ru 0.50000000000000 0.45913290372138 0.62500000000000 101.070 > 57 59 Ru 0.00000000000000 0.04086709627862 0.37500000000000 101.070 > 59 60 Ru 0.00000000000000 0.04086709627862 0.87500000000000 101.070 > 59 61 Ru 0.50000000000000 0.54086709627862 0.37500000000000 101.070 > 61 62 Ru 0.50000000000000 0.54086709627862 0.87500000000000 101.070 > 61 63 Ru 0.00000000000000 0.95913290372138 0.12500000000000 101.070 > 63 64 Ru 0.00000000000000 0.95913290372138 0.62500000000000 101.070 > 63 65 Ru 0.25387499948432 0.31271866029117 0.13227760758786 101.070 > 65 66 Ru 0.25387499948432 0.31271866029117 0.63227760758786 101.070 > 65 67 Ru 0.24612500051568 0.18728133970883 0.38227760758786 101.070 > 67 68 Ru 0.24612500051568 0.18728133970883 0.88227760758786 101.070 > 67 69 Ru 0.74612500051568 0.31271866029117 0.11772239241214 101.070 > 69 70 Ru 0.74612500051568 0.31271866029117 0.61772239241214 101.070 > 69 71 Ru 0.75387499948432 0.18728133970883 0.36772239241214 101.070 > 71 72 Ru 0.75387499948432 0.18728133970883 0.86772239241214 101.070 > 71 73 Ru 0.74612500051568 0.68728133970883 0.36772239241214 101.070 > 73 74 Ru 0.74612500051568 0.68728133970883 0.86772239241214 101.070 > 73 75 Ru 0.75387499948432 0.81271866029117 0.11772239241214 101.070 > 75 76 Ru 0.75387499948432 0.81271866029117 0.61772239241214 101.070 > 75 77 Ru 0.25387499948432 0.68728133970883 0.38227760758786 101.070 > 77 78 Ru 0.25387499948432 0.68728133970883 0.88227760758786 101.070 > 77 79 Ru 0.24612500051568 0.81271866029117 0.13227760758786 101.070 > 79 80 Ru 0.24612500051568 0.81271866029117 0.63227760758786 101.070 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 19.9468897 0.0000000 0.0000000 0.0000000 20.7156432 0.0000000 0.0000000 0.0000000 20.6086942 -------------------------- Born effective charges -------------------------- 1 Si 4.1213196 -0.2716857 -0.0160424 -0.5251185 4.3869014 -0.1495748 -0.2450865 -0.2436070 4.1592688 2 Si 4.1213196 -0.2716857 0.0160424 -0.5251185 4.3869014 0.1495748 0.2450865 0.2436070 4.1592688 3 Si 4.1213196 0.2716857 -0.0160424 0.5251185 4.3869014 0.1495748 -0.2450865 0.2436070 4.1592688 4 Si 4.1213196 0.2716857 0.0160424 0.5251185 4.3869014 -0.1495748 0.2450865 -0.2436070 4.1592688 5 Si 4.1213196 -0.2716857 -0.0160424 -0.5251185 4.3869014 -0.1495748 -0.2450865 -0.2436070 4.1592688 6 Si 4.1213196 -0.2716857 0.0160424 -0.5251185 4.3869014 0.1495748 0.2450865 0.2436070 4.1592688 7 Si 4.1213196 0.2716857 -0.0160424 0.5251185 4.3869014 0.1495748 -0.2450865 0.2436070 4.1592688 8 Si 4.1213196 0.2716857 0.0160424 0.5251185 4.3869014 -0.1495748 0.2450865 -0.2436070 4.1592688 9 Si 3.8885630 0.4737519 -0.1919713 0.4592891 4.2118650 0.2468792 -0.3166484 0.1646374 3.8625819 10 Si 3.8885630 0.4737519 0.1919713 0.4592891 4.2118650 -0.2468792 0.3166484 -0.1646374 3.8625819 11 Si 3.8885630 -0.4737519 -0.1919713 -0.4592891 4.2118650 -0.2468792 -0.3166484 -0.1646374 3.8625819 12 Si 3.8885630 -0.4737519 0.1919713 -0.4592891 4.2118650 0.2468792 0.3166484 0.1646374 3.8625819 13 Si 3.8885630 0.4737519 -0.1919713 0.4592891 4.2118650 0.2468792 -0.3166484 0.1646374 3.8625819 14 Si 3.8885630 0.4737519 0.1919713 0.4592891 4.2118650 -0.2468792 0.3166484 -0.1646374 3.8625819 15 Si 3.8885630 -0.4737519 -0.1919713 -0.4592891 4.2118650 -0.2468792 -0.3166484 -0.1646374 3.8625819 16 Si 3.8885630 -0.4737519 0.1919713 -0.4592891 4.2118650 0.2468792 0.3166484 0.1646374 3.8625819 17 Si 3.9822956 -0.3697411 0.2974414 -0.5741716 4.2842762 0.6030846 0.2155767 0.3006637 3.9282683 18 Si 3.9822956 -0.3697411 -0.2974414 -0.5741716 4.2842762 -0.6030846 -0.2155767 -0.3006637 3.9282683 19 Si 3.9822956 0.3697411 0.2974414 0.5741716 4.2842762 -0.6030846 0.2155767 -0.3006637 3.9282683 20 Si 3.9822956 0.3697411 -0.2974414 0.5741716 4.2842762 0.6030846 -0.2155767 0.3006637 3.9282683 21 Si 3.9822956 -0.3697411 0.2974414 -0.5741716 4.2842762 0.6030846 0.2155767 0.3006637 3.9282683 22 Si 3.9822956 -0.3697411 -0.2974414 -0.5741716 4.2842762 -0.6030846 -0.2155767 -0.3006637 3.9282683 23 Si 3.9822956 0.3697411 0.2974414 0.5741716 4.2842762 -0.6030846 0.2155767 -0.3006637 3.9282683 24 Si 3.9822956 0.3697411 -0.2974414 0.5741716 4.2842762 0.6030846 -0.2155767 0.3006637 3.9282683 25 Ru -6.2331612 0.0000000 0.5101763 0.0000000 -5.7057798 0.0000000 0.2412825 0.0000000 -6.0842523 26 Ru -6.2331612 0.0000000 -0.5101763 0.0000000 -5.7057798 0.0000000 -0.2412825 0.0000000 -6.0842523 27 Ru -6.2331612 0.0000000 0.5101763 0.0000000 -5.7057798 0.0000000 0.2412825 0.0000000 -6.0842523 28 Ru -6.2331612 0.0000000 -0.5101763 0.0000000 -5.7057798 0.0000000 -0.2412825 0.0000000 -6.0842523 29 Ru -5.3456451 0.0000000 -0.6010931 0.0000000 -6.3049336 0.0000000 -0.7719543 0.0000000 -6.0538066 30 Ru -5.3456451 0.0000000 0.6010931 0.0000000 -6.3049336 0.0000000 0.7719543 0.0000000 -6.0538066 31 Ru -5.3456451 0.0000000 -0.6010931 0.0000000 -6.3049336 0.0000000 -0.7719543 0.0000000 -6.0538066 32 Ru -5.3456451 0.0000000 0.6010931 0.0000000 -6.3049336 0.0000000 0.7719543 0.0000000 -6.0538066 33 Ru -6.2027751 -0.4993539 -0.1516594 0.0072786 -6.8776859 -0.0402691 -0.3635387 -0.1146011 -5.8810894 34 Ru -6.2027751 -0.4993539 0.1516594 0.0072786 -6.8776859 0.0402691 0.3635387 0.1146011 -5.8810894 35 Ru -6.2027751 0.4993539 -0.1516594 -0.0072786 -6.8776859 0.0402691 -0.3635387 0.1146011 -5.8810894 36 Ru -6.2027751 0.4993539 0.1516594 -0.0072786 -6.8776859 -0.0402691 0.3635387 -0.1146011 -5.8810894 37 Ru -6.2027751 -0.4993539 -0.1516594 0.0072786 -6.8776859 -0.0402691 -0.3635387 -0.1146011 -5.8810894 38 Ru -6.2027751 -0.4993539 0.1516594 0.0072786 -6.8776859 0.0402691 0.3635387 0.1146011 -5.8810894 39 Ru -6.2027751 0.4993539 -0.1516594 -0.0072786 -6.8776859 0.0402691 -0.3635387 0.1146011 -5.8810894 40 Ru -6.2027751 0.4993539 0.1516594 -0.0072786 -6.8776859 -0.0402691 0.3635387 -0.1146011 -5.8810894 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 6 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 307, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.188 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.704 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.077 ( 0.000 0.000 0.000) 0.000 4.088 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.900 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.558 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 5.745 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.952 ( 0.000 0.000 0.000) 0.000 5.977 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 6.105 ( 0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 6.558 ( 0.000 0.000 0.000) 0.000 6.582 ( 0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 0.000) 0.000 6.700 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.719 ( 0.000 0.000 0.000) 0.000 6.763 ( 0.000 0.000 0.000) 0.000 6.966 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.606 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.689 ( 0.000 0.000 0.000) 0.000 7.691 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 7.914 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.109 ( 0.000 0.000 0.000) 0.000 8.184 ( 0.000 0.000 0.000) 0.000 8.253 ( 0.000 0.000 0.000) 0.000 8.424 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.549 ( 0.000 0.000 0.000) 0.000 8.584 ( 0.000 0.000 0.000) 0.000 8.654 ( 0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 8.726 ( 0.000 0.000 0.000) 0.000 8.851 ( 0.000 0.000 0.000) 0.000 9.134 ( 0.000 0.000 0.000) 0.000 9.176 ( 0.000 0.000 0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 9.597 ( 0.000 0.000 0.000) 0.000 9.764 ( 0.000 0.000 0.000) 0.000 9.772 ( 0.000 0.000 0.000) 0.000 9.789 ( 0.000 0.000 0.000) 0.000 9.846 ( 0.000 0.000 0.000) 0.000 10.107 ( 0.000 0.000 0.000) 0.000 10.241 ( 0.000 0.000 0.000) 0.000 10.399 ( 0.000 0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 10.511 ( 0.000 0.000 0.000) 0.000 10.561 ( 0.000 0.000 0.000) 0.000 10.610 ( 0.000 0.000 0.000) 0.000 10.665 ( 0.000 0.000 0.000) 0.000 10.975 ( 0.000 0.000 0.000) 0.000 11.144 ( 0.000 0.000 0.000) 0.000 11.308 ( 0.000 0.000 0.000) 0.000 11.418 ( 0.000 0.000 0.000) 0.000 11.431 ( 0.000 0.000 0.000) 0.000 11.445 ( 0.000 0.000 0.000) 0.000 12.490 ( 0.000 0.000 0.000) 0.000 12.690 ( 0.000 0.000 0.000) 0.000 12.744 ( 0.000 0.000 0.000) 0.000 12.806 ( 0.000 0.000 0.000) 0.000 12.964 ( 0.000 0.000 0.000) 0.000 13.001 ( 0.000 0.000 0.000) 0.000 13.319 ( 0.000 0.000 0.000) 0.000 13.348 ( 0.000 0.000 0.000) 0.000 13.477 ( 0.000 0.000 0.000) 0.000 13.490 ( 0.000 0.000 0.000) 0.000 13.569 ( 0.000 0.000 0.000) 0.000 13.588 ( 0.000 0.000 0.000) 0.000 13.610 ( 0.000 0.000 0.000) 0.000 13.711 ( 0.000 0.000 0.000) 0.000 13.859 ( 0.000 0.000 0.000) 0.000 13.973 ( 0.000 0.000 0.000) 0.000 14.670 ( 0.000 0.000 0.000) 0.000 14.718 ( 0.000 0.000 0.000) 0.000 14.776 ( 0.000 0.000 0.000) 0.000 14.778 ( 0.000 0.000 0.000) 0.000 15.054 ( 0.000 0.000 0.000) 0.000 15.073 ( 0.000 0.000 0.000) 0.000 15.092 ( 0.000 0.000 0.000) 0.000 15.471 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 38.522 0.000 0.000) 38.522 0.804 ( 43.095 0.000 0.000) 43.095 1.299 ( 69.922 0.000 0.000) 69.922 2.231 ( 4.708 0.000 0.000) 4.708 2.346 ( -9.957 0.000 0.000) 9.957 2.532 ( 1.480 0.000 0.000) 1.480 2.582 ( -25.224 0.000 0.000) 25.224 2.788 ( 1.832 0.000 0.000) 1.832 2.997 ( -1.570 0.000 0.000) 1.570 3.064 ( -1.312 0.000 0.000) 1.312 3.451 ( -27.853 0.000 0.000) 27.853 3.643 ( 15.790 0.000 0.000) 15.790 3.981 ( -6.845 0.000 0.000) 6.845 4.040 ( 1.803 0.000 0.000) 1.803 4.121 ( 9.505 0.000 0.000) 9.505 4.227 ( 2.924 0.000 0.000) 2.924 4.439 ( 20.345 0.000 0.000) 20.345 4.485 ( 4.413 0.000 0.000) 4.413 4.776 ( -9.545 0.000 0.000) 9.545 4.781 ( 4.158 0.000 0.000) 4.158 4.784 ( 3.063 0.000 0.000) 3.063 4.903 ( -1.214 0.000 0.000) 1.214 4.959 ( -43.999 0.000 0.000) 43.999 5.085 ( -6.902 0.000 0.000) 6.902 5.132 ( -4.899 0.000 0.000) 4.899 5.360 ( -0.362 0.000 0.000) 0.362 5.522 ( -6.158 0.000 0.000) 6.158 5.528 ( -5.650 0.000 0.000) 5.650 5.551 ( 5.065 0.000 0.000) 5.065 5.736 ( 3.419 0.000 0.000) 3.419 5.908 ( -0.980 0.000 0.000) 0.980 5.939 ( -4.182 0.000 0.000) 4.182 6.047 ( 4.624 0.000 0.000) 4.624 6.057 ( -4.574 0.000 0.000) 4.574 6.078 ( -4.203 0.000 0.000) 4.203 6.234 ( -0.446 0.000 0.000) 0.446 6.364 ( -6.672 0.000 0.000) 6.672 6.393 ( 0.940 0.000 0.000) 0.940 6.548 ( -1.403 0.000 0.000) 1.403 6.600 ( -2.471 0.000 0.000) 2.471 6.684 ( 7.074 0.000 0.000) 7.074 6.715 ( -0.432 0.000 0.000) 0.432 6.731 ( -2.156 0.000 0.000) 2.156 6.755 ( 27.648 0.000 0.000) 27.648 6.782 ( 8.291 0.000 0.000) 8.291 6.962 ( -0.172 0.000 0.000) 0.172 6.978 ( -4.554 0.000 0.000) 4.554 6.984 ( -2.036 0.000 0.000) 2.036 6.990 ( 1.136 0.000 0.000) 1.136 7.099 ( 1.740 0.000 0.000) 1.740 7.184 ( 5.942 0.000 0.000) 5.942 7.201 ( 7.332 0.000 0.000) 7.332 7.237 ( 6.192 0.000 0.000) 6.192 7.459 ( 0.051 0.000 0.000) 0.051 7.492 ( -11.929 0.000 0.000) 11.929 7.588 ( -6.550 0.000 0.000) 6.550 7.739 ( -7.474 0.000 0.000) 7.474 7.757 ( 6.652 0.000 0.000) 6.652 7.862 ( -5.342 0.000 0.000) 5.342 8.014 ( -0.368 0.000 0.000) 0.368 8.041 ( 9.316 0.000 0.000) 9.316 8.134 ( 2.746 0.000 0.000) 2.746 8.240 ( 5.088 0.000 0.000) 5.088 8.305 ( 4.554 0.000 0.000) 4.554 8.419 ( -0.605 0.000 0.000) 0.605 8.426 ( 0.034 0.000 0.000) 0.034 8.513 ( -3.513 0.000 0.000) 3.513 8.577 ( -0.600 0.000 0.000) 0.600 8.612 ( -4.507 0.000 0.000) 4.507 8.686 ( -4.135 0.000 0.000) 4.135 8.723 ( 0.331 0.000 0.000) 0.331 8.827 ( -2.402 0.000 0.000) 2.402 9.116 ( -1.612 0.000 0.000) 1.612 9.159 ( -1.821 0.000 0.000) 1.821 9.459 ( 0.514 0.000 0.000) 0.514 9.553 ( 4.197 0.000 0.000) 4.197 9.566 ( -1.184 0.000 0.000) 1.184 9.599 ( 0.279 0.000 0.000) 0.279 9.777 ( 1.855 0.000 0.000) 1.855 9.791 ( 1.768 0.000 0.000) 1.768 9.845 ( -0.079 0.000 0.000) 0.079 10.067 ( -4.222 0.000 0.000) 4.222 10.234 ( -0.418 0.000 0.000) 0.418 10.402 ( -6.672 0.000 0.000) 6.672 10.412 ( 1.808 0.000 0.000) 1.808 10.507 ( -0.518 0.000 0.000) 0.518 10.597 ( 3.819 0.000 0.000) 3.819 10.641 ( 3.041 0.000 0.000) 3.041 10.723 ( 3.436 0.000 0.000) 3.436 10.931 ( -5.159 0.000 0.000) 5.159 11.000 ( 3.174 0.000 0.000) 3.174 11.186 ( 4.223 0.000 0.000) 4.223 11.332 ( 2.223 0.000 0.000) 2.223 11.363 ( -5.324 0.000 0.000) 5.324 11.425 ( -0.685 0.000 0.000) 0.685 11.433 ( -1.948 0.000 0.000) 1.948 12.515 ( 2.617 0.000 0.000) 2.617 12.700 ( 1.005 0.000 0.000) 1.005 12.722 ( -2.511 0.000 0.000) 2.511 12.793 ( -1.405 0.000 0.000) 1.405 12.966 ( 0.231 0.000 0.000) 0.231 12.995 ( -0.635 0.000 0.000) 0.635 13.322 ( 0.340 0.000 0.000) 0.340 13.346 ( -0.250 0.000 0.000) 0.250 13.480 ( 0.389 0.000 0.000) 0.389 13.508 ( -0.316 0.000 0.000) 0.316 13.569 ( 0.033 0.000 0.000) 0.033 13.584 ( -0.370 0.000 0.000) 0.370 13.715 ( 0.466 0.000 0.000) 0.466 13.803 ( -3.519 0.000 0.000) 3.519 14.090 ( 9.813 0.000 0.000) 9.813 14.648 ( -6.540 0.000 0.000) 6.540 14.690 ( 1.981 0.000 0.000) 1.981 14.773 ( -0.535 0.000 0.000) 0.535 14.821 ( 3.745 0.000 0.000) 3.745 14.904 ( 1.409 0.000 0.000) 1.409 15.038 ( -1.691 0.000 0.000) 1.691 15.065 ( -2.895 0.000 0.000) 2.895 15.108 ( 3.772 0.000 0.000) 3.772 15.431 ( -4.236 0.000 0.000) 4.236 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 36.396 0.000 0.000) 36.396 1.536 ( 36.379 0.000 0.000) 36.379 2.009 ( -29.398 0.000 0.000) 29.398 2.072 ( -21.705 0.000 0.000) 21.705 2.355 ( 8.666 0.000 0.000) 8.666 2.504 ( -5.588 0.000 0.000) 5.588 2.531 ( 53.483 0.000 0.000) 53.483 2.840 ( 4.464 0.000 0.000) 4.464 2.954 ( -4.027 0.000 0.000) 4.027 3.015 ( -17.265 0.000 0.000) 17.265 3.092 ( 8.692 0.000 0.000) 8.692 3.713 ( -36.176 0.000 0.000) 36.176 3.885 ( 9.892 0.000 0.000) 9.892 4.088 ( -20.686 0.000 0.000) 20.686 4.111 ( 6.556 0.000 0.000) 6.556 4.257 ( -10.831 0.000 0.000) 10.831 4.326 ( 12.021 0.000 0.000) 12.021 4.541 ( -10.965 0.000 0.000) 10.965 4.623 ( 10.184 0.000 0.000) 10.184 4.739 ( 3.964 0.000 0.000) 3.964 4.857 ( 2.952 0.000 0.000) 2.952 4.862 ( -1.311 0.000 0.000) 1.311 4.864 ( 5.564 0.000 0.000) 5.564 4.977 ( -6.581 0.000 0.000) 6.581 5.173 ( 6.356 0.000 0.000) 6.356 5.303 ( -6.231 0.000 0.000) 6.231 5.378 ( -6.552 0.000 0.000) 6.552 5.391 ( -6.584 0.000 0.000) 6.584 5.676 ( 8.243 0.000 0.000) 8.243 5.827 ( 6.393 0.000 0.000) 6.393 5.828 ( -7.787 0.000 0.000) 7.787 5.950 ( -6.711 0.000 0.000) 6.711 5.968 ( 6.300 0.000 0.000) 6.300 6.046 ( 1.758 0.000 0.000) 1.758 6.083 ( -3.906 0.000 0.000) 3.906 6.137 ( -7.143 0.000 0.000) 7.143 6.312 ( 4.659 0.000 0.000) 4.659 6.435 ( 3.690 0.000 0.000) 3.690 6.471 ( -9.974 0.000 0.000) 9.974 6.503 ( -3.402 0.000 0.000) 3.402 6.704 ( -0.492 0.000 0.000) 0.492 6.706 ( -0.433 0.000 0.000) 0.433 6.830 ( 7.905 0.000 0.000) 7.905 6.921 ( 0.130 0.000 0.000) 0.130 6.938 ( -3.409 0.000 0.000) 3.409 6.942 ( -2.162 0.000 0.000) 2.162 7.000 ( 12.608 0.000 0.000) 12.608 7.005 ( 0.840 0.000 0.000) 0.840 7.020 ( 0.185 0.000 0.000) 0.185 7.248 ( -14.011 0.000 0.000) 14.011 7.300 ( 18.775 0.000 0.000) 18.775 7.311 ( 7.634 0.000 0.000) 7.634 7.352 ( 5.545 0.000 0.000) 5.545 7.412 ( 15.461 0.000 0.000) 15.461 7.438 ( -2.601 0.000 0.000) 2.601 7.460 ( -7.404 0.000 0.000) 7.404 7.560 ( -11.736 0.000 0.000) 11.736 7.700 ( -13.053 0.000 0.000) 13.053 7.892 ( 7.194 0.000 0.000) 7.194 7.988 ( -3.062 0.000 0.000) 3.062 8.190 ( 6.187 0.000 0.000) 6.187 8.200 ( 3.840 0.000 0.000) 3.840 8.306 ( 0.689 0.000 0.000) 0.689 8.335 ( -2.410 0.000 0.000) 2.410 8.433 ( 2.447 0.000 0.000) 2.447 8.440 ( 1.952 0.000 0.000) 1.952 8.459 ( -1.283 0.000 0.000) 1.283 8.511 ( -5.629 0.000 0.000) 5.629 8.574 ( 0.646 0.000 0.000) 0.646 8.611 ( -3.411 0.000 0.000) 3.411 8.734 ( 1.187 0.000 0.000) 1.187 8.774 ( -3.028 0.000 0.000) 3.028 9.096 ( -0.086 0.000 0.000) 0.086 9.118 ( -2.220 0.000 0.000) 2.220 9.489 ( 2.402 0.000 0.000) 2.402 9.534 ( -2.298 0.000 0.000) 2.298 9.604 ( 1.127 0.000 0.000) 1.127 9.607 ( 0.428 0.000 0.000) 0.428 9.823 ( 1.463 0.000 0.000) 1.463 9.840 ( -0.527 0.000 0.000) 0.527 9.847 ( 5.771 0.000 0.000) 5.771 9.965 ( -6.575 0.000 0.000) 6.575 10.241 ( 1.506 0.000 0.000) 1.506 10.296 ( -4.605 0.000 0.000) 4.605 10.452 ( 2.328 0.000 0.000) 2.328 10.489 ( -1.579 0.000 0.000) 1.579 10.692 ( 6.360 0.000 0.000) 6.360 10.703 ( 3.252 0.000 0.000) 3.252 10.745 ( -0.976 0.000 0.000) 0.976 10.816 ( -6.975 0.000 0.000) 6.975 11.098 ( 7.253 0.000 0.000) 7.253 11.240 ( -7.806 0.000 0.000) 7.806 11.279 ( 5.578 0.000 0.000) 5.578 11.373 ( -4.444 0.000 0.000) 4.444 11.374 ( 2.149 0.000 0.000) 2.149 11.406 ( -1.413 0.000 0.000) 1.413 12.579 ( 4.238 0.000 0.000) 4.238 12.659 ( -4.208 0.000 0.000) 4.208 12.725 ( 1.757 0.000 0.000) 1.757 12.760 ( -1.994 0.000 0.000) 1.994 12.972 ( 0.440 0.000 0.000) 0.440 12.982 ( -0.645 0.000 0.000) 0.645 13.330 ( 0.514 0.000 0.000) 0.514 13.339 ( -0.460 0.000 0.000) 0.460 13.490 ( 0.593 0.000 0.000) 0.593 13.500 ( -0.548 0.000 0.000) 0.548 13.571 ( 0.208 0.000 0.000) 0.208 13.576 ( -0.401 0.000 0.000) 0.401 13.728 ( 0.996 0.000 0.000) 0.996 13.754 ( -1.946 0.000 0.000) 1.946 14.290 ( 11.628 0.000 0.000) 11.628 14.493 ( -10.275 0.000 0.000) 10.275 14.729 ( 1.973 0.000 0.000) 1.973 14.758 ( -1.173 0.000 0.000) 1.173 14.902 ( 5.003 0.000 0.000) 5.003 14.943 ( 2.734 0.000 0.000) 2.734 14.993 ( -4.770 0.000 0.000) 4.770 14.996 ( -2.827 0.000 0.000) 2.827 15.204 ( 6.448 0.000 0.000) 6.448 15.328 ( -6.734 0.000 0.000) 6.734 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.000 39.369 0.000) 39.369 0.848 ( 0.000 44.457 0.000) 44.457 1.392 ( 0.000 72.451 0.000) 72.451 2.178 ( 0.000 -0.404 0.000) 0.404 2.394 ( 0.000 -7.026 0.000) 7.026 2.489 ( 0.000 -0.166 0.000) 0.166 2.762 ( 0.000 6.073 0.000) 6.073 2.832 ( 0.000 -4.076 0.000) 4.076 2.876 ( 0.000 -12.183 0.000) 12.183 3.464 ( 0.000 5.277 0.000) 5.277 3.641 ( 0.000 -23.066 0.000) 23.066 3.656 ( 0.000 -6.323 0.000) 6.323 3.857 ( 0.000 -0.615 0.000) 0.615 3.982 ( 0.000 -12.506 0.000) 12.506 4.076 ( 0.000 -4.722 0.000) 4.722 4.216 ( 0.000 -3.495 0.000) 3.495 4.317 ( 0.000 -18.623 0.000) 18.623 4.436 ( 0.000 6.025 0.000) 6.025 4.743 ( 0.000 -14.148 0.000) 14.148 4.779 ( 0.000 0.464 0.000) 0.464 4.817 ( 0.000 -6.754 0.000) 6.754 4.840 ( 0.000 10.993 0.000) 10.993 4.942 ( 0.000 -10.037 0.000) 10.037 5.129 ( 0.000 -1.196 0.000) 1.196 5.191 ( 0.000 -1.420 0.000) 1.420 5.417 ( 0.000 -5.172 0.000) 5.172 5.590 ( 0.000 7.024 0.000) 7.024 5.686 ( 0.000 7.144 0.000) 7.144 5.733 ( 0.000 -1.141 0.000) 1.141 5.842 ( 0.000 2.731 0.000) 2.731 5.934 ( 0.000 1.607 0.000) 1.607 5.941 ( 0.000 -2.139 0.000) 2.139 5.988 ( 0.000 -1.272 0.000) 1.272 6.059 ( 0.000 24.009 0.000) 24.009 6.104 ( 0.000 6.399 0.000) 6.399 6.169 ( 0.000 9.781 0.000) 9.781 6.287 ( 0.000 -6.456 0.000) 6.456 6.380 ( 0.000 -8.092 0.000) 8.092 6.418 ( 0.000 -1.122 0.000) 1.122 6.541 ( 0.000 -0.357 0.000) 0.357 6.586 ( 0.000 -5.109 0.000) 5.109 6.591 ( 0.000 2.820 0.000) 2.820 6.663 ( 0.000 -4.790 0.000) 4.790 6.775 ( 0.000 9.110 0.000) 9.110 6.828 ( 0.000 6.425 0.000) 6.425 6.859 ( 0.000 6.597 0.000) 6.597 6.872 ( 0.000 -5.527 0.000) 5.527 6.950 ( 0.000 -1.628 0.000) 1.628 7.054 ( 0.000 4.602 0.000) 4.602 7.154 ( 0.000 4.168 0.000) 4.168 7.174 ( 0.000 3.619 0.000) 3.619 7.188 ( 0.000 2.725 0.000) 2.725 7.259 ( 0.000 -1.463 0.000) 1.463 7.474 ( 0.000 3.837 0.000) 3.837 7.557 ( 0.000 -8.526 0.000) 8.526 7.666 ( 0.000 -6.001 0.000) 6.001 7.716 ( 0.000 -2.043 0.000) 2.043 7.836 ( 0.000 11.454 0.000) 11.454 7.880 ( 0.000 -2.030 0.000) 2.030 7.959 ( 0.000 1.149 0.000) 1.149 8.004 ( 0.000 -1.838 0.000) 1.838 8.034 ( 0.000 -6.650 0.000) 6.650 8.207 ( 0.000 2.375 0.000) 2.375 8.232 ( 0.000 -2.051 0.000) 2.051 8.422 ( 0.000 -0.223 0.000) 0.223 8.490 ( 0.000 5.329 0.000) 5.329 8.503 ( 0.000 -6.374 0.000) 6.374 8.597 ( 0.000 1.345 0.000) 1.345 8.678 ( 0.000 1.244 0.000) 1.244 8.694 ( 0.000 -1.653 0.000) 1.653 8.727 ( 0.000 -0.653 0.000) 0.653 8.820 ( 0.000 -3.126 0.000) 3.126 9.117 ( 0.000 -1.601 0.000) 1.601 9.158 ( 0.000 -1.686 0.000) 1.686 9.491 ( 0.000 1.427 0.000) 1.427 9.514 ( 0.000 3.607 0.000) 3.607 9.558 ( 0.000 -1.349 0.000) 1.349 9.621 ( 0.000 2.408 0.000) 2.408 9.704 ( 0.000 -3.457 0.000) 3.457 9.817 ( 0.000 2.659 0.000) 2.659 9.841 ( 0.000 6.109 0.000) 6.109 9.940 ( 0.000 6.931 0.000) 6.931 10.046 ( 0.000 -5.703 0.000) 5.703 10.312 ( 0.000 -6.676 0.000) 6.676 10.364 ( 0.000 -11.955 0.000) 11.955 10.410 ( 0.000 -4.884 0.000) 4.884 10.508 ( 0.000 2.732 0.000) 2.732 10.660 ( 0.000 -1.649 0.000) 1.649 10.697 ( 0.000 6.910 0.000) 6.910 10.698 ( 0.000 10.262 0.000) 10.262 11.005 ( 0.000 1.033 0.000) 1.033 11.121 ( 0.000 -2.478 0.000) 2.478 11.196 ( 0.000 -9.052 0.000) 9.052 11.380 ( 0.000 -4.007 0.000) 4.007 11.451 ( 0.000 2.438 0.000) 2.438 11.510 ( 0.000 3.876 0.000) 3.876 12.509 ( 0.000 1.907 0.000) 1.907 12.675 ( 0.000 -1.175 0.000) 1.175 12.787 ( 0.000 3.778 0.000) 3.778 12.835 ( 0.000 2.851 0.000) 2.851 13.030 ( 0.000 6.823 0.000) 6.823 13.038 ( 0.000 3.846 0.000) 3.846 13.365 ( 0.000 1.433 0.000) 1.433 13.454 ( 0.000 -2.127 0.000) 2.127 13.471 ( 0.000 -1.791 0.000) 1.791 13.568 ( 0.000 -0.974 0.000) 0.974 13.574 ( 0.000 0.359 0.000) 0.359 13.653 ( 0.000 3.364 0.000) 3.364 13.671 ( 0.000 -2.884 0.000) 2.884 13.832 ( 0.000 -2.325 0.000) 2.325 13.954 ( 0.000 -2.062 0.000) 2.062 14.463 ( 0.000 -14.242 0.000) 14.242 14.785 ( 0.000 1.020 0.000) 1.020 14.790 ( 0.000 1.209 0.000) 1.209 14.810 ( 0.000 3.313 0.000) 3.313 15.023 ( 0.000 -3.154 0.000) 3.154 15.118 ( 0.000 2.590 0.000) 2.590 15.122 ( 0.000 4.390 0.000) 4.390 15.477 ( 0.000 0.591 0.000) 0.591 15.619 ( 0.000 -2.154 0.000) 2.154 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 23.979 33.501 0.000) 41.198 1.138 ( 31.411 27.823 0.000) 41.961 1.775 ( 31.888 37.594 0.000) 49.297 2.284 ( 15.360 9.441 0.000) 18.030 2.345 ( -6.199 -0.994 0.000) 6.278 2.491 ( 0.999 -5.429 0.000) 5.520 2.536 ( -15.814 2.922 0.000) 16.081 2.716 ( -10.730 -0.105 0.000) 10.731 2.833 ( -6.873 -11.459 0.000) 13.362 3.338 ( -19.305 -10.503 0.000) 21.977 3.418 ( -14.170 10.758 0.000) 17.792 3.680 ( 11.081 0.410 0.000) 11.088 3.925 ( -2.658 -4.218 0.000) 4.985 3.929 ( 3.824 -10.106 0.000) 10.805 4.186 ( 11.672 -9.584 0.000) 15.103 4.218 ( 0.393 -5.572 0.000) 5.586 4.312 ( 9.728 -3.526 0.000) 10.347 4.456 ( -0.797 -0.759 0.000) 1.101 4.570 ( -5.263 -5.799 0.000) 7.831 4.607 ( -11.345 -15.356 0.000) 19.092 4.813 ( -1.306 -5.249 0.000) 5.409 4.999 ( -2.068 -5.962 0.000) 6.311 5.002 ( 3.673 10.665 0.000) 11.280 5.080 ( -20.390 8.167 0.000) 21.965 5.144 ( -20.780 3.246 0.000) 21.032 5.330 ( 6.181 -4.374 0.000) 7.572 5.401 ( -1.592 -5.564 0.000) 5.787 5.636 ( 4.637 6.897 0.000) 8.311 5.636 ( -5.881 5.557 0.000) 8.091 5.866 ( 1.900 -5.575 0.000) 5.890 5.895 ( -6.861 1.289 0.000) 6.981 5.968 ( 0.595 -0.132 0.000) 0.610 6.069 ( 5.012 5.219 0.000) 7.236 6.079 ( 3.480 12.706 0.000) 13.174 6.110 ( -3.679 3.909 0.000) 5.367 6.261 ( -3.586 1.342 0.000) 3.829 6.321 ( -9.860 -1.761 0.000) 10.016 6.420 ( 3.986 -5.267 0.000) 6.605 6.437 ( 3.597 -2.494 0.000) 4.377 6.558 ( 2.142 -6.968 0.000) 7.290 6.633 ( 0.652 1.748 0.000) 1.866 6.700 ( 10.181 -2.884 0.000) 10.582 6.720 ( 12.174 -2.497 0.000) 12.427 6.766 ( 2.013 4.901 0.000) 5.298 6.875 ( 8.299 7.098 0.000) 10.920 6.901 ( 2.130 1.716 0.000) 2.736 6.941 ( 5.502 -2.255 0.000) 5.946 6.974 ( 2.226 -0.226 0.000) 2.237 7.039 ( -1.535 4.627 0.000) 4.875 7.078 ( -1.933 2.443 0.000) 3.115 7.164 ( -0.868 2.049 0.000) 2.226 7.292 ( 1.870 -3.898 0.000) 4.324 7.311 ( 8.988 4.897 0.000) 10.235 7.468 ( -6.177 -2.887 0.000) 6.819 7.474 ( -0.021 2.624 0.000) 2.624 7.535 ( -11.950 -2.382 0.000) 12.185 7.716 ( -3.417 -2.858 0.000) 4.455 7.803 ( -4.509 -6.037 0.000) 7.535 7.869 ( 3.587 8.677 0.000) 9.390 8.007 ( 0.489 -0.773 0.000) 0.914 8.071 ( 3.603 -5.060 0.000) 6.212 8.087 ( 7.609 3.322 0.000) 8.303 8.249 ( 3.803 0.783 0.000) 3.882 8.277 ( 4.062 -2.230 0.000) 4.633 8.416 ( -0.751 -0.332 0.000) 0.821 8.460 ( -3.287 -4.852 0.000) 5.861 8.492 ( 0.370 5.328 0.000) 5.340 8.592 ( -0.374 1.491 0.000) 1.537 8.633 ( -4.468 1.219 0.000) 4.632 8.680 ( -2.517 -0.368 0.000) 2.544 8.719 ( -0.038 -0.620 0.000) 0.621 8.801 ( -1.947 -2.653 0.000) 3.291 9.100 ( -1.542 -1.492 0.000) 2.146 9.143 ( -1.786 -1.523 0.000) 2.347 9.488 ( 0.810 2.798 0.000) 2.913 9.557 ( 3.542 0.837 0.000) 3.639 9.560 ( -0.005 -0.740 0.000) 0.740 9.616 ( -0.424 2.146 0.000) 2.187 9.713 ( 1.314 -3.748 0.000) 3.972 9.847 ( 0.470 4.880 0.000) 4.903 9.931 ( 0.076 5.672 0.000) 5.672 10.007 ( -3.780 -5.299 0.000) 6.509 10.059 ( 11.503 -11.541 0.000) 16.295 10.308 ( 0.175 -7.155 0.000) 7.157 10.358 ( -1.734 -10.311 0.000) 10.456 10.368 ( -3.110 -5.193 0.000) 6.053 10.599 ( 6.565 -3.293 0.000) 7.345 10.658 ( 1.107 4.258 0.000) 4.399 10.763 ( 4.819 3.380 0.000) 5.886 10.774 ( 6.804 4.159 0.000) 7.974 11.013 ( 1.369 -0.180 0.000) 1.381 11.163 ( 4.143 -1.963 0.000) 4.584 11.200 ( 0.648 -8.858 0.000) 8.882 11.340 ( -3.948 -3.600 0.000) 5.343 11.442 ( -0.959 2.071 0.000) 2.282 11.488 ( -2.275 3.712 0.000) 4.354 12.533 ( 2.592 1.875 0.000) 3.199 12.688 ( 1.035 -0.932 0.000) 1.393 12.765 ( -2.129 3.491 0.000) 4.089 12.820 ( -1.553 2.627 0.000) 3.052 13.030 ( 0.039 6.628 0.000) 6.628 13.035 ( -0.236 4.252 0.000) 4.259 13.368 ( 0.285 1.857 0.000) 1.879 13.453 ( -2.205 0.528 0.000) 2.267 13.459 ( 0.565 -1.962 0.000) 2.042 13.533 ( -3.164 2.017 0.000) 3.753 13.574 ( 0.060 0.466 0.000) 0.469 13.604 ( -1.753 2.651 0.000) 3.178 13.700 ( 1.264 -1.115 0.000) 1.686 13.789 ( -2.847 -1.110 0.000) 3.056 14.048 ( 8.205 -4.129 0.000) 9.186 14.444 ( -2.469 -13.860 0.000) 14.078 14.792 ( 0.303 1.871 0.000) 1.895 14.798 ( 1.034 2.947 0.000) 3.123 14.831 ( 2.543 2.166 0.000) 3.341 15.010 ( -1.357 -2.689 0.000) 3.012 15.092 ( -2.688 2.596 0.000) 3.737 15.138 ( 1.239 3.301 0.000) 3.526 15.267 ( -19.703 16.844 0.000) 25.922 15.436 ( -4.310 0.453 0.000) 4.334 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 29.541 20.550 0.000) 35.985 1.732 ( 30.551 19.073 0.000) 36.016 2.121 ( -11.352 6.729 0.000) 13.197 2.167 ( -13.936 8.074 0.000) 16.106 2.188 ( 0.501 -6.115 0.000) 6.136 2.496 ( -9.473 0.136 0.000) 9.474 2.545 ( -1.764 -4.161 0.000) 4.520 2.550 ( -13.184 -21.615 0.000) 25.318 2.985 ( 44.592 22.359 0.000) 49.884 3.156 ( -1.173 -0.956 0.000) 1.514 3.249 ( -1.613 7.579 0.000) 7.749 3.781 ( -18.867 2.435 0.000) 19.023 3.849 ( 7.961 -6.757 0.000) 10.442 4.101 ( 12.434 -2.118 0.000) 12.613 4.159 ( -37.370 3.982 0.000) 37.582 4.292 ( 6.921 -11.492 0.000) 13.415 4.312 ( -7.174 4.751 0.000) 8.605 4.398 ( 1.628 -28.531 0.000) 28.577 4.474 ( -10.310 -2.313 0.000) 10.566 4.496 ( -3.447 -13.191 0.000) 13.634 4.538 ( 13.321 -2.202 0.000) 13.502 4.744 ( -7.828 -4.583 0.000) 9.071 5.048 ( 1.627 8.490 0.000) 8.645 5.062 ( 0.269 2.653 0.000) 2.667 5.198 ( 8.535 1.211 0.000) 8.620 5.335 ( -5.014 -3.204 0.000) 5.950 5.425 ( 3.338 1.201 0.000) 3.547 5.509 ( -6.727 5.624 0.000) 8.768 5.722 ( 3.623 6.690 0.000) 7.608 5.784 ( -4.365 0.161 0.000) 4.368 5.870 ( 2.528 -2.496 0.000) 3.552 5.957 ( -3.926 -1.982 0.000) 4.398 6.052 ( -0.419 3.977 0.000) 3.999 6.091 ( -1.340 3.999 0.000) 4.218 6.129 ( -1.783 9.585 0.000) 9.749 6.168 ( -4.675 6.913 0.000) 8.345 6.258 ( 7.463 -0.681 0.000) 7.494 6.403 ( -5.410 -0.213 0.000) 5.414 6.510 ( 3.970 -6.098 0.000) 7.276 6.564 ( -1.626 -8.804 0.000) 8.953 6.632 ( -0.652 5.964 0.000) 5.999 6.648 ( -3.813 5.285 0.000) 6.517 6.842 ( 7.725 -2.389 0.000) 8.086 6.917 ( -0.595 -0.512 0.000) 0.785 6.954 ( 1.361 2.959 0.000) 3.258 6.994 ( -2.650 1.601 0.000) 3.096 7.012 ( 3.608 -2.511 0.000) 4.396 7.015 ( 1.184 3.744 0.000) 3.927 7.063 ( 10.505 5.598 0.000) 11.904 7.141 ( 4.028 -7.249 0.000) 8.293 7.252 ( -6.331 -13.369 0.000) 14.792 7.283 ( -13.111 2.618 0.000) 13.370 7.310 ( 18.276 -0.474 0.000) 18.283 7.434 ( 0.745 2.464 0.000) 2.574 7.466 ( -0.947 2.336 0.000) 2.520 7.489 ( 10.344 3.598 0.000) 10.952 7.588 ( -10.525 -1.065 0.000) 10.579 7.676 ( -9.521 -2.170 0.000) 9.765 7.950 ( 4.510 4.655 0.000) 6.481 8.006 ( -1.266 1.418 0.000) 1.901 8.149 ( 4.484 -3.791 0.000) 5.872 8.188 ( 2.223 -0.213 0.000) 2.233 8.294 ( 0.811 -0.741 0.000) 1.098 8.321 ( -0.567 -1.213 0.000) 1.339 8.409 ( 0.780 -1.484 0.000) 1.676 8.426 ( -0.413 -3.066 0.000) 3.094 8.508 ( 1.337 4.979 0.000) 5.156 8.548 ( -3.762 3.285 0.000) 4.995 8.594 ( 0.828 1.795 0.000) 1.976 8.625 ( -2.665 1.155 0.000) 2.904 8.726 ( 0.859 -0.830 0.000) 1.195 8.758 ( -2.481 -1.665 0.000) 2.988 9.080 ( -0.111 -1.458 0.000) 1.462 9.102 ( -2.245 -1.495 0.000) 2.697 9.517 ( 1.984 2.718 0.000) 3.365 9.549 ( -1.330 1.176 0.000) 1.775 9.602 ( 1.118 -0.004 0.000) 1.118 9.610 ( -0.170 0.866 0.000) 0.882 9.767 ( 4.498 -4.041 0.000) 6.047 9.839 ( -2.198 -0.182 0.000) 2.206 9.926 ( -0.252 4.620 0.000) 4.627 9.940 ( -2.501 -0.647 0.000) 2.584 10.186 ( 4.762 -6.274 0.000) 7.876 10.274 ( -5.091 -3.346 0.000) 6.092 10.324 ( 1.305 -9.438 0.000) 9.528 10.347 ( -1.126 -10.877 0.000) 10.935 10.682 ( 2.517 -1.770 0.000) 3.077 10.688 ( 1.460 1.881 0.000) 2.382 10.830 ( 2.069 4.194 0.000) 4.676 10.845 ( 0.668 3.992 0.000) 4.047 11.074 ( 5.470 -2.903 0.000) 6.192 11.182 ( -4.661 -5.936 0.000) 7.547 11.245 ( 4.016 -2.475 0.000) 4.717 11.284 ( -0.985 -4.342 0.000) 4.452 11.423 ( -0.735 1.699 0.000) 1.851 11.438 ( -2.524 3.032 0.000) 3.945 12.597 ( 4.198 1.800 0.000) 4.567 12.673 ( -3.455 1.257 0.000) 3.676 12.749 ( 1.286 1.859 0.000) 2.260 12.785 ( -2.185 2.082 0.000) 3.018 13.031 ( 0.037 6.030 0.000) 6.030 13.032 ( -0.117 5.134 0.000) 5.136 13.378 ( 0.921 3.094 0.000) 3.229 13.406 ( -2.267 4.183 0.000) 4.757 13.473 ( 0.937 -1.444 0.000) 1.721 13.493 ( -1.369 -0.101 0.000) 1.373 13.577 ( 0.289 0.752 0.000) 0.806 13.585 ( -0.637 1.220 0.000) 1.376 13.721 ( 1.221 -0.487 0.000) 1.315 13.748 ( -1.766 -0.432 0.000) 1.818 14.213 ( 9.253 -7.405 0.000) 11.851 14.362 ( -6.635 -11.276 0.000) 13.083 14.801 ( 0.657 3.761 0.000) 3.818 14.810 ( 0.028 4.977 0.000) 4.978 14.898 ( 4.431 0.620 0.000) 4.474 14.972 ( -3.096 -1.113 0.000) 3.290 15.036 ( -2.523 3.028 0.000) 3.941 15.041 ( -4.192 7.676 0.000) 8.746 15.222 ( 5.237 1.935 0.000) 5.583 15.333 ( -6.473 0.514 0.000) 6.493 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 0.000 27.168 0.000) 27.168 1.607 ( 0.000 32.336 0.000) 32.336 2.218 ( 0.000 6.164 0.000) 6.164 2.256 ( 0.000 -2.544 0.000) 2.544 2.468 ( 0.000 -1.662 0.000) 1.662 2.578 ( 0.000 24.406 0.000) 24.406 2.641 ( 0.000 -12.263 0.000) 12.263 2.764 ( 0.000 26.695 0.000) 26.695 2.918 ( 0.000 8.914 0.000) 8.914 3.324 ( 0.000 -26.588 0.000) 26.588 3.377 ( 0.000 -3.248 0.000) 3.248 3.673 ( 0.000 16.551 0.000) 16.551 3.774 ( 0.000 -20.365 0.000) 20.365 3.808 ( 0.000 -1.120 0.000) 1.120 3.873 ( 0.000 -3.448 0.000) 3.448 3.908 ( 0.000 -21.594 0.000) 21.594 4.249 ( 0.000 -23.045 0.000) 23.045 4.313 ( 0.000 8.650 0.000) 8.650 4.507 ( 0.000 -13.596 0.000) 13.596 4.680 ( 0.000 -9.231 0.000) 9.231 4.868 ( 0.000 3.294 0.000) 3.294 4.879 ( 0.000 9.695 0.000) 9.695 4.970 ( 0.000 3.421 0.000) 3.421 5.090 ( 0.000 -2.695 0.000) 2.695 5.138 ( 0.000 -4.496 0.000) 4.496 5.406 ( 0.000 4.036 0.000) 4.036 5.559 ( 0.000 -24.980 0.000) 24.980 5.727 ( 0.000 0.700 0.000) 0.700 5.743 ( 0.000 8.885 0.000) 8.885 5.752 ( 0.000 0.933 0.000) 0.933 5.855 ( 0.000 -13.943 0.000) 13.943 5.959 ( 0.000 -1.219 0.000) 1.219 5.969 ( 0.000 0.477 0.000) 0.477 6.079 ( 0.000 -9.284 0.000) 9.284 6.223 ( 0.000 7.447 0.000) 7.447 6.422 ( 0.000 0.904 0.000) 0.904 6.456 ( 0.000 18.466 0.000) 18.466 6.485 ( 0.000 10.041 0.000) 10.041 6.486 ( 0.000 19.447 0.000) 19.447 6.499 ( 0.000 -4.217 0.000) 4.217 6.527 ( 0.000 -1.304 0.000) 1.304 6.634 ( 0.000 2.087 0.000) 2.087 6.656 ( 0.000 8.549 0.000) 8.549 6.824 ( 0.000 1.476 0.000) 1.476 6.908 ( 0.000 -2.755 0.000) 2.755 6.926 ( 0.000 -0.481 0.000) 0.481 6.961 ( 0.000 5.171 0.000) 5.171 6.969 ( 0.000 7.519 0.000) 7.519 7.121 ( 0.000 0.809 0.000) 0.809 7.201 ( 0.000 -5.751 0.000) 5.751 7.205 ( 0.000 2.065 0.000) 2.065 7.227 ( 0.000 3.095 0.000) 3.095 7.299 ( 0.000 9.220 0.000) 9.220 7.391 ( 0.000 -8.089 0.000) 8.089 7.511 ( 0.000 -9.983 0.000) 9.983 7.590 ( 0.000 7.930 0.000) 7.930 7.635 ( 0.000 -5.912 0.000) 5.912 7.826 ( 0.000 -3.292 0.000) 3.292 7.902 ( 0.000 -6.715 0.000) 6.715 7.921 ( 0.000 -7.112 0.000) 7.112 7.999 ( 0.000 2.756 0.000) 2.756 8.022 ( 0.000 6.737 0.000) 6.737 8.199 ( 0.000 -0.262 0.000) 0.262 8.274 ( 0.000 4.640 0.000) 4.640 8.376 ( 0.000 -6.630 0.000) 6.630 8.411 ( 0.000 -1.282 0.000) 1.282 8.587 ( 0.000 4.499 0.000) 4.499 8.630 ( 0.000 2.001 0.000) 2.001 8.668 ( 0.000 -1.083 0.000) 1.083 8.686 ( 0.000 -0.405 0.000) 0.405 8.706 ( 0.000 -1.216 0.000) 1.216 8.748 ( 0.000 -3.971 0.000) 3.971 9.088 ( 0.000 -1.037 0.000) 1.037 9.121 ( 0.000 -2.107 0.000) 2.107 9.524 ( 0.000 1.545 0.000) 1.545 9.539 ( 0.000 -0.605 0.000) 0.605 9.602 ( 0.000 5.472 0.000) 5.472 9.678 ( 0.000 3.201 0.000) 3.201 9.678 ( 0.000 1.689 0.000) 1.689 9.860 ( 0.000 1.056 0.000) 1.056 9.915 ( 0.000 -1.882 0.000) 1.882 9.927 ( 0.000 -6.308 0.000) 6.308 10.074 ( 0.000 6.923 0.000) 6.923 10.183 ( 0.000 -4.048 0.000) 4.048 10.213 ( 0.000 -2.692 0.000) 2.692 10.316 ( 0.000 -5.160 0.000) 5.160 10.565 ( 0.000 2.654 0.000) 2.654 10.611 ( 0.000 -2.800 0.000) 2.800 10.828 ( 0.000 6.870 0.000) 6.870 10.901 ( 0.000 10.832 0.000) 10.832 10.978 ( 0.000 -3.185 0.000) 3.185 11.023 ( 0.000 -8.356 0.000) 8.356 11.056 ( 0.000 -4.168 0.000) 4.168 11.273 ( 0.000 -7.416 0.000) 7.416 11.514 ( 0.000 3.553 0.000) 3.553 11.561 ( 0.000 1.468 0.000) 1.468 12.555 ( 0.000 2.843 0.000) 2.843 12.649 ( 0.000 -1.746 0.000) 1.746 12.865 ( 0.000 4.047 0.000) 4.047 12.894 ( 0.000 2.800 0.000) 2.800 13.136 ( 0.000 6.325 0.000) 6.325 13.198 ( 0.000 9.837 0.000) 9.837 13.377 ( 0.000 -0.552 0.000) 0.552 13.412 ( 0.000 -1.889 0.000) 1.889 13.430 ( 0.000 -2.332 0.000) 2.332 13.559 ( 0.000 0.079 0.000) 0.079 13.576 ( 0.000 -0.211 0.000) 0.211 13.589 ( 0.000 -6.022 0.000) 6.022 13.726 ( 0.000 4.407 0.000) 4.407 13.815 ( 0.000 1.948 0.000) 1.948 13.898 ( 0.000 -3.927 0.000) 3.927 14.182 ( 0.000 -15.138 0.000) 15.138 14.816 ( 0.000 2.260 0.000) 2.260 14.817 ( 0.000 1.494 0.000) 1.494 14.842 ( 0.000 0.590 0.000) 0.590 14.948 ( 0.000 -4.399 0.000) 4.399 15.176 ( 0.000 3.207 0.000) 3.207 15.198 ( 0.000 2.988 0.000) 2.988 15.491 ( 0.000 1.008 0.000) 1.008 15.568 ( 0.000 -3.014 0.000) 3.014 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 20.189 20.135 0.000) 28.513 1.728 ( 12.454 27.571 0.000) 30.253 2.149 ( -4.209 8.729 0.000) 9.690 2.308 ( 4.460 1.029 0.000) 4.578 2.329 ( -10.149 -7.881 0.000) 12.850 2.566 ( -11.364 -0.407 0.000) 11.371 2.728 ( 4.845 -2.740 0.000) 5.566 2.743 ( -2.716 17.964 0.000) 18.168 2.974 ( 17.112 37.039 0.000) 40.801 3.193 ( -15.281 -0.434 0.000) 15.288 3.382 ( 5.900 -25.974 0.000) 26.636 3.566 ( -12.130 9.826 0.000) 15.611 3.763 ( -4.905 -25.123 0.000) 25.597 3.821 ( -1.729 -19.263 0.000) 19.340 3.881 ( 1.424 -8.141 0.000) 8.265 3.938 ( 9.391 3.384 0.000) 9.982 4.223 ( -3.039 -20.865 0.000) 21.085 4.387 ( 7.257 6.699 0.000) 9.876 4.442 ( -5.441 -7.486 0.000) 9.254 4.681 ( -8.749 11.221 0.000) 14.229 4.698 ( 1.302 -7.509 0.000) 7.621 4.957 ( 7.551 1.489 0.000) 7.696 5.106 ( 2.824 -2.030 0.000) 3.478 5.144 ( 6.312 4.406 0.000) 7.698 5.213 ( 6.741 -6.909 0.000) 9.653 5.226 ( -30.525 -2.063 0.000) 30.594 5.363 ( -4.060 1.668 0.000) 4.390 5.673 ( -10.651 -1.750 0.000) 10.794 5.700 ( 0.694 -0.379 0.000) 0.791 5.814 ( 3.227 -10.072 0.000) 10.576 5.840 ( 5.507 4.119 0.000) 6.876 5.961 ( -2.808 -3.590 0.000) 4.558 6.067 ( 9.522 0.497 0.000) 9.535 6.136 ( -1.375 1.136 0.000) 1.783 6.216 ( 1.077 1.657 0.000) 1.976 6.313 ( -11.467 3.573 0.000) 12.011 6.384 ( -1.866 2.252 0.000) 2.925 6.429 ( -2.435 -3.365 0.000) 4.154 6.480 ( -0.889 15.470 0.000) 15.496 6.503 ( 0.340 3.825 0.000) 3.840 6.641 ( 8.293 -1.254 0.000) 8.387 6.699 ( 4.011 3.338 0.000) 5.219 6.739 ( 6.593 5.514 0.000) 8.595 6.879 ( -0.777 -4.867 0.000) 4.929 6.883 ( -4.825 4.813 0.000) 6.815 6.947 ( 9.988 4.575 0.000) 10.986 6.996 ( 3.958 -0.032 0.000) 3.958 7.035 ( 4.346 6.642 0.000) 7.937 7.090 ( -5.691 -9.375 0.000) 10.967 7.131 ( -3.378 0.272 0.000) 3.389 7.165 ( -0.688 6.153 0.000) 6.191 7.227 ( 0.113 4.537 0.000) 4.538 7.386 ( 6.857 4.224 0.000) 8.054 7.412 ( 1.813 -3.598 0.000) 4.028 7.482 ( -4.218 -5.090 0.000) 6.611 7.561 ( -2.314 6.384 0.000) 6.791 7.648 ( -0.585 -8.483 0.000) 8.503 7.683 ( -8.208 -0.820 0.000) 8.249 7.909 ( 2.064 -4.920 0.000) 5.335 7.949 ( 2.789 -5.876 0.000) 6.504 8.081 ( 4.131 6.104 0.000) 7.371 8.135 ( 7.916 1.502 0.000) 8.057 8.240 ( 4.053 -1.124 0.000) 4.206 8.283 ( 1.033 3.186 0.000) 3.349 8.359 ( -1.340 -5.367 0.000) 5.531 8.402 ( -1.092 -1.463 0.000) 1.825 8.586 ( 0.039 4.183 0.000) 4.183 8.626 ( -0.283 1.911 0.000) 1.932 8.645 ( -2.526 0.179 0.000) 2.532 8.674 ( -1.327 -0.419 0.000) 1.392 8.702 ( 0.001 -0.981 0.000) 0.981 8.741 ( -0.814 -3.308 0.000) 3.406 9.074 ( -1.345 -0.851 0.000) 1.591 9.109 ( -1.491 -1.983 0.000) 2.481 9.539 ( 1.816 1.780 0.000) 2.543 9.547 ( 0.772 -0.430 0.000) 0.883 9.602 ( 0.096 3.812 0.000) 3.813 9.672 ( -0.669 3.261 0.000) 3.329 9.680 ( 0.646 1.369 0.000) 1.514 9.857 ( -4.269 -5.692 0.000) 7.115 9.919 ( 4.972 -3.178 0.000) 5.901 9.951 ( 0.995 -1.210 0.000) 1.567 10.058 ( -1.732 4.740 0.000) 5.046 10.165 ( -1.970 -6.227 0.000) 6.531 10.210 ( 0.038 -2.038 0.000) 2.039 10.290 ( -2.311 -3.893 0.000) 4.527 10.615 ( 4.788 2.794 0.000) 5.543 10.670 ( 5.266 -1.677 0.000) 5.526 10.859 ( 2.083 2.622 0.000) 3.348 10.883 ( -1.579 6.872 0.000) 7.051 10.968 ( 0.099 -2.579 0.000) 2.581 11.052 ( 3.276 -5.106 0.000) 6.067 11.124 ( 5.681 -2.362 0.000) 6.152 11.241 ( -2.980 -6.780 0.000) 7.406 11.497 ( -1.849 3.140 0.000) 3.644 11.538 ( -2.483 1.428 0.000) 2.864 12.579 ( 2.478 2.758 0.000) 3.708 12.666 ( 1.759 -1.531 0.000) 2.332 12.835 ( -2.954 3.639 0.000) 4.687 12.871 ( -2.392 2.186 0.000) 3.240 13.143 ( 0.642 6.781 0.000) 6.811 13.191 ( -0.660 9.341 0.000) 9.364 13.383 ( 0.567 -1.273 0.000) 1.394 13.422 ( -0.765 -2.522 0.000) 2.635 13.428 ( 1.740 -0.190 0.000) 1.750 13.550 ( -1.029 0.776 0.000) 1.289 13.582 ( 0.571 0.095 0.000) 0.579 13.596 ( 0.561 -4.183 0.000) 4.220 13.726 ( 0.084 3.983 0.000) 3.984 13.787 ( -1.984 1.831 0.000) 2.700 13.953 ( 4.879 -5.385 0.000) 7.267 14.170 ( -1.345 -14.634 0.000) 14.695 14.832 ( 1.598 2.049 0.000) 2.599 14.835 ( 2.066 1.994 0.000) 2.872 14.865 ( 2.271 0.875 0.000) 2.434 14.948 ( -0.002 -3.634 0.000) 3.634 15.150 ( -2.665 3.242 0.000) 4.197 15.192 ( -0.705 1.937 0.000) 2.061 15.425 ( -12.442 2.981 0.000) 12.794 15.444 ( -4.828 0.355 0.000) 4.841 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 12.876 -1.391 0.000) 12.951 2.000 ( 14.747 13.144 0.000) 19.754 2.143 ( 4.840 8.674 0.000) 9.933 2.147 ( -7.521 -5.899 0.000) 9.559 2.383 ( -4.564 16.673 0.000) 17.286 2.408 ( 4.562 7.004 0.000) 8.359 2.597 ( -9.397 13.324 0.000) 16.304 2.642 ( -15.395 17.577 0.000) 23.366 3.066 ( 4.893 -5.045 0.000) 7.028 3.218 ( -6.931 3.613 0.000) 7.816 3.454 ( 12.767 -11.696 0.000) 17.315 3.637 ( -8.040 -21.660 0.000) 23.104 3.673 ( 23.692 10.374 0.000) 25.864 3.790 ( 1.539 -26.041 0.000) 26.086 3.843 ( -5.219 -27.148 0.000) 27.645 4.124 ( -11.942 -3.731 0.000) 12.511 4.128 ( 9.244 3.476 0.000) 9.876 4.300 ( -11.465 -1.820 0.000) 11.609 4.510 ( 4.588 5.098 0.000) 6.858 4.628 ( 3.445 8.909 0.000) 9.552 4.668 ( -13.902 5.451 0.000) 14.932 4.717 ( -9.365 6.821 0.000) 11.585 5.088 ( 6.494 3.010 0.000) 7.158 5.179 ( -2.406 7.072 0.000) 7.470 5.196 ( 5.695 -2.761 0.000) 6.329 5.271 ( -2.779 -5.899 0.000) 6.521 5.356 ( 6.522 -4.259 0.000) 7.789 5.498 ( -8.722 -2.914 0.000) 9.196 5.754 ( 4.682 -4.233 0.000) 6.312 5.826 ( -2.145 -7.185 0.000) 7.499 5.874 ( -1.848 3.742 0.000) 4.174 5.874 ( -3.914 1.971 0.000) 4.382 6.096 ( -1.101 2.413 0.000) 2.653 6.117 ( -4.231 1.052 0.000) 4.360 6.256 ( 4.908 2.095 0.000) 5.336 6.259 ( 2.470 -2.091 0.000) 3.236 6.389 ( 2.109 1.200 0.000) 2.427 6.413 ( 2.169 -0.282 0.000) 2.187 6.445 ( -2.628 10.793 0.000) 11.109 6.502 ( -2.655 4.961 0.000) 5.627 6.723 ( 1.099 -2.188 0.000) 2.448 6.735 ( -0.242 1.958 0.000) 1.973 6.804 ( 0.783 3.085 0.000) 3.182 6.863 ( -2.502 -5.684 0.000) 6.211 6.887 ( 6.225 -5.002 0.000) 7.986 6.967 ( -4.666 -10.359 0.000) 11.362 7.031 ( -0.580 3.862 0.000) 3.905 7.032 ( -0.395 1.900 0.000) 1.941 7.094 ( 3.120 1.762 0.000) 3.583 7.110 ( 0.289 3.501 0.000) 3.513 7.233 ( 3.645 7.813 0.000) 8.621 7.310 ( 10.837 0.868 0.000) 10.872 7.353 ( -8.571 2.872 0.000) 9.040 7.434 ( -0.690 -3.184 0.000) 3.258 7.489 ( 2.312 -0.017 0.000) 2.312 7.536 ( -6.035 -2.793 0.000) 6.650 7.549 ( 3.028 3.820 0.000) 4.874 7.628 ( -3.614 -2.080 0.000) 4.170 7.971 ( 3.602 -3.090 0.000) 4.746 7.996 ( 1.247 -3.317 0.000) 3.543 8.145 ( 3.231 3.706 0.000) 4.916 8.196 ( -1.247 1.215 0.000) 1.741 8.297 ( 0.720 1.232 0.000) 1.427 8.301 ( 1.471 -0.586 0.000) 1.583 8.363 ( 1.248 -3.288 0.000) 3.517 8.378 ( -1.033 -1.945 0.000) 2.202 8.594 ( 0.699 3.676 0.000) 3.742 8.608 ( -1.106 2.722 0.000) 2.938 8.627 ( 0.447 1.440 0.000) 1.508 8.641 ( -1.518 0.423 0.000) 1.576 8.707 ( 0.413 -0.953 0.000) 1.039 8.721 ( -1.143 -1.916 0.000) 2.231 9.054 ( -0.324 -0.951 0.000) 1.005 9.072 ( -2.033 -1.516 0.000) 2.536 9.562 ( 0.677 0.346 0.000) 0.760 9.567 ( 0.400 1.727 0.000) 1.773 9.618 ( 1.971 1.879 0.000) 2.723 9.652 ( -1.476 3.077 0.000) 3.412 9.711 ( 2.798 -0.886 0.000) 2.935 9.777 ( -4.247 -4.532 0.000) 6.211 9.969 ( 1.183 0.990 0.000) 1.543 9.988 ( 0.501 0.193 0.000) 0.537 10.042 ( 2.238 -6.370 0.000) 6.751 10.111 ( -3.842 -9.633 0.000) 10.371 10.221 ( 1.118 -0.795 0.000) 1.371 10.249 ( -1.986 -1.272 0.000) 2.359 10.705 ( 4.335 3.559 0.000) 5.609 10.743 ( 1.133 2.554 0.000) 2.794 10.865 ( 0.068 0.060 0.000) 0.091 10.874 ( -0.279 -2.037 0.000) 2.055 10.998 ( 3.590 -3.592 0.000) 5.078 11.077 ( -3.061 -4.118 0.000) 5.131 11.218 ( 3.437 -0.685 0.000) 3.504 11.219 ( 1.823 -2.363 0.000) 2.985 11.460 ( -1.309 1.974 0.000) 2.368 11.481 ( -3.158 1.331 0.000) 3.427 12.639 ( 3.845 2.414 0.000) 4.540 12.691 ( -0.475 0.290 0.000) 0.557 12.786 ( -0.873 2.060 0.000) 2.237 12.818 ( -3.078 1.089 0.000) 3.265 13.158 ( 0.949 7.600 0.000) 7.659 13.176 ( -0.991 8.434 0.000) 8.492 13.394 ( 0.666 -2.203 0.000) 2.301 13.407 ( -0.814 -2.563 0.000) 2.689 13.471 ( 2.765 2.121 0.000) 3.485 13.520 ( -2.329 2.235 0.000) 3.228 13.593 ( 0.627 0.267 0.000) 0.681 13.601 ( -0.122 -1.080 0.000) 1.087 13.734 ( 0.854 2.733 0.000) 2.863 13.756 ( -1.489 2.034 0.000) 2.521 14.049 ( 5.173 -9.123 0.000) 10.488 14.128 ( -3.383 -12.675 0.000) 13.119 14.868 ( 1.876 3.000 0.000) 3.538 14.874 ( 1.406 2.408 0.000) 2.789 14.915 ( 2.951 0.607 0.000) 3.013 14.947 ( -0.363 -1.538 0.000) 1.580 15.100 ( -1.601 3.371 0.000) 3.732 15.144 ( -5.457 2.444 0.000) 5.980 15.276 ( -0.543 3.476 0.000) 3.518 15.340 ( -5.743 0.023 0.000) 5.743 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.000 -10.246 0.000) 10.246 1.758 ( 0.000 10.246 0.000) 10.246 2.408 ( 0.000 -12.131 0.000) 12.131 2.408 ( 0.000 12.131 0.000) 12.131 2.487 ( 0.000 -5.190 0.000) 5.190 2.487 ( 0.000 5.190 0.000) 5.190 2.613 ( 0.000 -32.875 0.000) 32.875 2.613 ( 0.000 32.875 0.000) 32.875 3.329 ( 0.000 -21.712 0.000) 21.712 3.329 ( 0.000 21.712 0.000) 21.712 3.479 ( 0.000 -5.830 0.000) 5.830 3.479 ( 0.000 5.830 0.000) 5.830 3.705 ( 0.000 -30.765 0.000) 30.765 3.705 ( 0.000 30.765 0.000) 30.765 3.837 ( 0.000 -2.371 0.000) 2.371 3.837 ( 0.000 2.371 0.000) 2.371 4.111 ( 0.000 -26.231 0.000) 26.231 4.111 ( 0.000 26.231 0.000) 26.231 4.491 ( 0.000 -10.207 0.000) 10.207 4.491 ( 0.000 10.207 0.000) 10.207 4.973 ( 0.000 -4.547 0.000) 4.547 4.973 ( 0.000 4.547 0.000) 4.547 5.059 ( 0.000 -0.996 0.000) 0.996 5.059 ( 0.000 0.996 0.000) 0.996 5.131 ( 0.000 -18.005 0.000) 18.005 5.131 ( 0.000 18.005 0.000) 18.005 5.572 ( 0.000 -13.410 0.000) 13.410 5.572 ( 0.000 13.410 0.000) 13.410 5.748 ( 0.000 -1.051 0.000) 1.051 5.748 ( 0.000 1.051 0.000) 1.051 5.912 ( 0.000 -9.028 0.000) 9.028 5.912 ( 0.000 9.028 0.000) 9.028 5.957 ( 0.000 -0.886 0.000) 0.886 5.957 ( 0.000 0.886 0.000) 0.886 6.362 ( 0.000 -6.703 0.000) 6.703 6.362 ( 0.000 6.703 0.000) 6.703 6.491 ( 0.000 -2.221 0.000) 2.221 6.491 ( 0.000 2.221 0.000) 2.221 6.583 ( 0.000 -2.678 0.000) 2.678 6.583 ( 0.000 2.678 0.000) 2.678 6.785 ( 0.000 -14.587 0.000) 14.587 6.785 ( 0.000 14.587 0.000) 14.587 6.812 ( 0.000 -5.876 0.000) 5.876 6.812 ( 0.000 5.876 0.000) 5.876 6.860 ( 0.000 -0.532 0.000) 0.532 6.860 ( 0.000 0.532 0.000) 0.532 7.017 ( 0.000 -11.599 0.000) 11.599 7.017 ( 0.000 11.599 0.000) 11.599 7.079 ( 0.000 -4.183 0.000) 4.183 7.079 ( 0.000 4.183 0.000) 4.183 7.287 ( 0.000 -3.676 0.000) 3.676 7.287 ( 0.000 3.676 0.000) 3.676 7.326 ( 0.000 -9.244 0.000) 9.244 7.326 ( 0.000 9.244 0.000) 9.244 7.489 ( 0.000 -9.866 0.000) 9.866 7.489 ( 0.000 9.866 0.000) 9.866 7.756 ( 0.000 -9.573 0.000) 9.573 7.756 ( 0.000 9.573 0.000) 9.573 7.809 ( 0.000 -2.402 0.000) 2.402 7.809 ( 0.000 2.402 0.000) 2.402 8.050 ( 0.000 -2.105 0.000) 2.105 8.050 ( 0.000 2.105 0.000) 2.105 8.261 ( 0.000 -5.695 0.000) 5.695 8.261 ( 0.000 5.695 0.000) 5.695 8.362 ( 0.000 -4.101 0.000) 4.101 8.362 ( 0.000 4.101 0.000) 4.101 8.646 ( 0.000 -1.773 0.000) 1.773 8.646 ( 0.000 1.773 0.000) 1.773 8.666 ( 0.000 -1.662 0.000) 1.662 8.666 ( 0.000 1.662 0.000) 1.662 8.698 ( 0.000 -0.909 0.000) 0.909 8.698 ( 0.000 0.909 0.000) 0.909 9.088 ( 0.000 -1.078 0.000) 1.078 9.088 ( 0.000 1.078 0.000) 1.078 9.535 ( 0.000 -0.011 0.000) 0.011 9.535 ( 0.000 0.011 0.000) 0.011 9.694 ( 0.000 -2.958 0.000) 2.958 9.694 ( 0.000 2.958 0.000) 2.958 9.782 ( 0.000 -8.483 0.000) 8.483 9.782 ( 0.000 8.483 0.000) 8.483 9.855 ( 0.000 -0.217 0.000) 0.217 9.855 ( 0.000 0.217 0.000) 0.217 10.168 ( 0.000 -2.049 0.000) 2.049 10.168 ( 0.000 2.049 0.000) 2.049 10.228 ( 0.000 -3.663 0.000) 3.663 10.228 ( 0.000 3.663 0.000) 3.663 10.585 ( 0.000 -0.017 0.000) 0.017 10.585 ( 0.000 0.017 0.000) 0.017 10.936 ( 0.000 -0.265 0.000) 0.265 10.936 ( 0.000 0.265 0.000) 0.265 10.947 ( 0.000 -5.634 0.000) 5.634 10.947 ( 0.000 5.634 0.000) 5.634 11.110 ( 0.000 -9.613 0.000) 9.613 11.110 ( 0.000 9.613 0.000) 9.613 11.562 ( 0.000 -1.326 0.000) 1.326 11.562 ( 0.000 1.326 0.000) 1.326 12.608 ( 0.000 -2.610 0.000) 2.610 12.608 ( 0.000 2.610 0.000) 2.610 12.916 ( 0.000 -0.904 0.000) 0.904 12.916 ( 0.000 0.904 0.000) 0.904 13.252 ( 0.000 -4.867 0.000) 4.867 13.252 ( 0.000 4.867 0.000) 4.867 13.399 ( 0.000 -0.648 0.000) 0.648 13.399 ( 0.000 0.648 0.000) 0.648 13.447 ( 0.000 -8.632 0.000) 8.632 13.447 ( 0.000 8.632 0.000) 8.632 13.567 ( 0.000 -0.606 0.000) 0.606 13.567 ( 0.000 0.606 0.000) 0.606 13.814 ( 0.000 -4.812 0.000) 4.812 13.814 ( 0.000 4.812 0.000) 4.812 13.933 ( 0.000 -10.532 0.000) 10.532 13.933 ( 0.000 10.532 0.000) 10.532 14.839 ( 0.000 -0.782 0.000) 0.782 14.839 ( 0.000 0.782 0.000) 0.782 14.871 ( 0.000 -3.670 0.000) 3.670 14.871 ( 0.000 3.670 0.000) 3.670 15.219 ( 0.000 -0.870 0.000) 0.870 15.219 ( 0.000 0.870 0.000) 0.870 15.518 ( 0.000 -2.032 0.000) 2.032 15.518 ( 0.000 2.032 0.000) 2.032 ======================= Grid point 17 (11/60) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 9.597 -6.293 0.000) 11.476 1.861 ( 9.597 6.293 0.000) 11.476 2.249 ( -9.784 -1.807 0.000) 9.949 2.249 ( -9.784 1.807 0.000) 9.949 2.578 ( 3.444 -3.236 0.000) 4.726 2.578 ( 3.444 3.236 0.000) 4.726 2.725 ( 11.793 -19.410 0.000) 22.712 2.725 ( 11.793 19.410 0.000) 22.712 3.212 ( -9.738 -21.958 0.000) 24.020 3.212 ( -9.738 21.958 0.000) 24.020 3.401 ( -8.598 -13.564 0.000) 16.060 3.401 ( -8.598 13.564 0.000) 16.060 3.664 ( -9.150 -20.647 0.000) 22.584 3.664 ( -9.150 20.647 0.000) 22.584 3.849 ( 6.767 -17.259 0.000) 18.538 3.849 ( 6.767 17.259 0.000) 18.538 4.177 ( 5.115 -15.411 0.000) 16.238 4.177 ( 5.115 15.411 0.000) 16.238 4.536 ( 4.368 -8.869 0.000) 9.887 4.536 ( 4.368 8.869 0.000) 9.887 4.900 ( -5.890 -8.025 0.000) 9.954 4.900 ( -5.890 8.025 0.000) 9.954 5.098 ( 4.671 -2.859 0.000) 5.477 5.098 ( 4.671 2.859 0.000) 5.477 5.169 ( 1.003 -0.001 0.000) 1.003 5.169 ( 1.003 0.001 0.000) 1.003 5.498 ( -6.494 -11.246 0.000) 12.986 5.498 ( -6.494 11.246 0.000) 12.986 5.708 ( -1.825 -0.903 0.000) 2.036 5.708 ( -1.825 0.903 0.000) 2.036 5.907 ( 2.334 -1.173 0.000) 2.612 5.907 ( 2.334 1.173 0.000) 2.612 6.110 ( 7.830 -1.379 0.000) 7.950 6.110 ( 7.830 1.379 0.000) 7.950 6.299 ( -6.425 -5.049 0.000) 8.172 6.299 ( -6.425 5.049 0.000) 8.172 6.424 ( -3.182 -2.913 0.000) 4.314 6.424 ( -3.182 2.913 0.000) 4.314 6.630 ( -1.621 -11.300 0.000) 11.416 6.630 ( -1.621 11.300 0.000) 11.416 6.653 ( -2.718 -0.802 0.000) 2.834 6.653 ( -2.718 0.802 0.000) 2.834 6.836 ( 2.195 -1.221 0.000) 2.512 6.836 ( 2.195 1.221 0.000) 2.512 6.884 ( -2.345 -1.046 0.000) 2.568 6.884 ( -2.345 1.046 0.000) 2.568 7.028 ( 2.508 -0.385 0.000) 2.537 7.028 ( 2.508 0.385 0.000) 2.537 7.122 ( 2.155 -2.935 0.000) 3.641 7.122 ( 2.155 2.935 0.000) 3.641 7.314 ( 2.549 -6.571 0.000) 7.048 7.314 ( 2.549 6.571 0.000) 7.048 7.340 ( 0.930 -8.846 0.000) 8.895 7.340 ( 0.930 8.846 0.000) 8.895 7.491 ( 0.044 -3.664 0.000) 3.664 7.491 ( 0.044 3.664 0.000) 3.664 7.680 ( -5.662 -2.959 0.000) 6.389 7.680 ( -5.662 2.959 0.000) 6.389 7.845 ( 4.489 -0.255 0.000) 4.496 7.845 ( 4.489 0.255 0.000) 4.496 8.146 ( 6.435 -0.502 0.000) 6.455 8.146 ( 6.435 0.502 0.000) 6.455 8.269 ( 1.203 -4.010 0.000) 4.187 8.269 ( 1.203 4.010 0.000) 4.187 8.353 ( -0.850 -2.191 0.000) 2.350 8.353 ( -0.850 2.191 0.000) 2.350 8.637 ( -0.732 -0.755 0.000) 1.052 8.637 ( -0.732 0.755 0.000) 1.052 8.658 ( -0.747 -0.278 0.000) 0.798 8.658 ( -0.747 0.278 0.000) 0.798 8.698 ( 0.004 -0.912 0.000) 0.912 8.698 ( 0.004 0.912 0.000) 0.912 9.077 ( -1.247 -0.860 0.000) 1.515 9.077 ( -1.247 0.860 0.000) 1.515 9.546 ( 1.235 -0.036 0.000) 1.235 9.546 ( 1.235 0.036 0.000) 1.235 9.683 ( -1.207 -2.076 0.000) 2.401 9.683 ( -1.207 2.076 0.000) 2.401 9.754 ( -1.702 -2.738 0.000) 3.224 9.754 ( -1.702 2.738 0.000) 3.224 9.885 ( 2.423 -1.199 0.000) 2.704 9.885 ( 2.423 1.199 0.000) 2.704 10.115 ( -4.821 -1.821 0.000) 5.154 10.115 ( -4.821 1.821 0.000) 5.154 10.234 ( 0.498 -2.518 0.000) 2.567 10.234 ( 0.498 2.518 0.000) 2.567 10.649 ( 5.985 -0.175 0.000) 5.987 10.649 ( 5.985 0.175 0.000) 5.987 10.872 ( -2.599 -1.261 0.000) 2.889 10.872 ( -2.599 1.261 0.000) 2.889 11.038 ( 2.515 -0.194 0.000) 2.522 11.038 ( 2.515 0.194 0.000) 2.522 11.108 ( 2.317 -4.542 0.000) 5.099 11.108 ( 2.317 4.542 0.000) 5.099 11.540 ( -2.407 -1.152 0.000) 2.669 11.540 ( -2.407 1.152 0.000) 2.669 12.629 ( 2.219 -2.332 0.000) 3.219 12.629 ( 2.219 2.332 0.000) 3.219 12.883 ( -3.242 -0.778 0.000) 3.334 12.883 ( -3.242 0.778 0.000) 3.334 13.260 ( 0.733 -4.147 0.000) 4.211 13.260 ( 0.733 4.147 0.000) 4.211 13.374 ( -1.594 -2.357 0.000) 2.846 13.374 ( -1.594 2.357 0.000) 2.846 13.486 ( 3.067 -5.735 0.000) 6.504 13.486 ( 3.067 5.735 0.000) 6.504 13.571 ( 0.257 -0.448 0.000) 0.517 13.571 ( 0.257 0.448 0.000) 0.517 13.808 ( -0.557 -3.281 0.000) 3.328 13.808 ( -0.557 3.281 0.000) 3.328 13.940 ( 0.645 -8.107 0.000) 8.132 13.940 ( 0.645 8.107 0.000) 8.132 14.860 ( 2.272 -0.120 0.000) 2.275 14.860 ( 2.272 0.120 0.000) 2.275 14.885 ( 1.399 -2.860 0.000) 3.184 14.885 ( 1.399 2.860 0.000) 3.184 15.197 ( -2.263 -0.802 0.000) 2.401 15.197 ( -2.263 0.802 0.000) 2.401 15.447 ( -6.906 -0.008 0.000) 6.906 15.447 ( -6.906 0.008 0.000) 6.906 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 1.311 -1.367 0.000) 1.894 1.988 ( 1.311 1.367 0.000) 1.894 2.156 ( 0.943 -0.458 0.000) 1.048 2.156 ( 0.943 0.458 0.000) 1.048 2.622 ( 1.693 -1.777 0.000) 2.455 2.622 ( 1.693 1.777 0.000) 2.455 2.981 ( 14.219 -0.000 0.000) 14.219 2.981 ( 14.219 0.000 0.000) 14.219 3.052 ( -5.914 -0.779 0.000) 5.966 3.052 ( -5.914 0.779 0.000) 5.966 3.240 ( -7.669 -9.228 0.000) 11.999 3.240 ( -7.669 9.228 0.000) 11.999 3.433 ( -12.149 -14.454 0.000) 18.882 3.433 ( -12.149 14.454 0.000) 18.882 4.030 ( 9.651 -8.623 0.000) 12.942 4.030 ( 9.651 8.623 0.000) 12.942 4.224 ( -0.799 -2.493 0.000) 2.618 4.224 ( -0.799 2.493 0.000) 2.618 4.623 ( 4.342 -5.679 0.000) 7.148 4.623 ( 4.342 5.679 0.000) 7.148 4.773 ( -7.008 -4.739 0.000) 8.460 4.773 ( -7.008 4.739 0.000) 8.460 5.161 ( 1.544 -0.761 0.000) 1.721 5.161 ( 1.544 0.761 0.000) 1.721 5.235 ( 7.170 -7.972 0.000) 10.722 5.235 ( 7.170 7.972 0.000) 10.722 5.373 ( -7.356 -9.865 0.000) 12.306 5.373 ( -7.356 9.865 0.000) 12.306 5.709 ( 0.940 -0.203 0.000) 0.962 5.709 ( 0.940 0.203 0.000) 0.962 5.909 ( -2.171 -0.002 0.000) 2.171 5.909 ( -2.171 0.002 0.000) 2.171 6.133 ( -1.819 -0.017 0.000) 1.819 6.133 ( -1.819 0.017 0.000) 1.819 6.244 ( -0.606 -1.235 0.000) 1.376 6.244 ( -0.606 1.235 0.000) 1.376 6.406 ( 0.240 -0.284 0.000) 0.372 6.406 ( 0.240 0.284 0.000) 0.372 6.564 ( -0.661 -0.019 0.000) 0.661 6.564 ( -0.661 0.019 0.000) 0.661 6.691 ( 1.583 -1.073 0.000) 1.912 6.691 ( 1.583 1.073 0.000) 1.912 6.836 ( -1.766 -0.658 0.000) 1.885 6.836 ( -1.766 0.658 0.000) 1.885 6.871 ( 1.011 -0.242 0.000) 1.039 6.871 ( 1.011 0.242 0.000) 1.039 7.064 ( 1.395 -0.080 0.000) 1.397 7.064 ( 1.395 0.080 0.000) 1.397 7.132 ( -0.804 -0.256 0.000) 0.844 7.132 ( -0.804 0.256 0.000) 0.844 7.344 ( -0.105 -3.069 0.000) 3.071 7.344 ( -0.105 3.069 0.000) 3.071 7.353 ( 1.194 -3.355 0.000) 3.561 7.353 ( 1.194 3.355 0.000) 3.561 7.494 ( 0.277 -0.311 0.000) 0.416 7.494 ( 0.277 0.311 0.000) 0.416 7.614 ( -1.521 -1.145 0.000) 1.904 7.614 ( -1.521 1.145 0.000) 1.904 7.931 ( 3.492 -0.300 0.000) 3.505 7.931 ( 3.492 0.300 0.000) 3.505 8.203 ( 0.536 -1.095 0.000) 1.220 8.203 ( 0.536 1.095 0.000) 1.220 8.310 ( 2.114 -0.935 0.000) 2.312 8.310 ( 2.114 0.935 0.000) 2.312 8.337 ( -0.771 -0.733 0.000) 1.064 8.337 ( -0.771 0.733 0.000) 1.064 8.634 ( 0.384 -0.126 0.000) 0.404 8.634 ( 0.384 0.126 0.000) 0.404 8.641 ( -0.753 -0.007 0.000) 0.754 8.641 ( -0.753 0.007 0.000) 0.754 8.699 ( 0.037 -0.272 0.000) 0.274 8.699 ( 0.037 0.272 0.000) 0.274 9.051 ( -1.131 -0.431 0.000) 1.211 9.051 ( -1.131 0.431 0.000) 1.211 9.572 ( 1.121 -0.354 0.000) 1.176 9.572 ( 1.121 0.354 0.000) 1.176 9.658 ( -1.065 -2.012 0.000) 2.276 9.658 ( -1.065 2.012 0.000) 2.276 9.737 ( -0.375 -0.526 0.000) 0.646 9.737 ( -0.375 0.526 0.000) 0.646 9.936 ( 3.135 -0.101 0.000) 3.137 9.936 ( 3.135 0.101 0.000) 3.137 10.023 ( -4.697 -0.663 0.000) 4.743 10.023 ( -4.697 0.663 0.000) 4.743 10.242 ( 0.253 -0.832 0.000) 0.869 10.242 ( 0.253 0.832 0.000) 0.869 10.761 ( 5.201 -0.277 0.000) 5.208 10.761 ( 5.201 0.277 0.000) 5.208 10.837 ( -1.566 -1.160 0.000) 1.949 10.837 ( -1.566 1.160 0.000) 1.949 11.006 ( -2.638 -2.965 0.000) 3.969 11.006 ( -2.638 2.965 0.000) 3.969 11.206 ( 4.717 -0.187 0.000) 4.721 11.206 ( 4.717 0.187 0.000) 4.721 11.487 ( -2.627 -0.553 0.000) 2.685 11.487 ( -2.627 0.553 0.000) 2.685 12.678 ( 2.539 -1.348 0.000) 2.875 12.678 ( 2.539 1.348 0.000) 2.875 12.818 ( -3.064 -0.752 0.000) 3.155 12.818 ( -3.064 0.752 0.000) 3.155 13.272 ( 0.405 -1.851 0.000) 1.895 13.272 ( 0.405 1.851 0.000) 1.895 13.353 ( -0.639 -1.331 0.000) 1.477 13.353 ( -0.639 1.331 0.000) 1.477 13.538 ( 2.326 -3.173 0.000) 3.934 13.538 ( 2.326 3.173 0.000) 3.934 13.569 ( -0.641 -1.228 0.000) 1.386 13.569 ( -0.641 1.228 0.000) 1.386 13.798 ( -0.347 -0.984 0.000) 1.043 13.798 ( -0.347 0.984 0.000) 1.043 13.951 ( 0.383 -2.911 0.000) 2.937 13.951 ( 0.383 2.911 0.000) 2.937 14.908 ( 1.579 -0.609 0.000) 1.693 14.908 ( 1.579 0.609 0.000) 1.693 14.915 ( 2.075 -0.497 0.000) 2.134 14.915 ( 2.075 0.497 0.000) 2.134 15.148 ( -2.428 -0.699 0.000) 2.527 15.148 ( -2.428 0.699 0.000) 2.527 15.327 ( -4.477 -0.910 0.000) 4.569 15.327 ( -4.477 0.910 0.000) 4.569 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 0.000 0.000 36.516) 36.516 0.922 ( 0.000 0.000 44.871) 44.871 1.529 ( 0.000 0.000 74.550) 74.550 2.149 ( 0.000 0.000 -4.393) 4.393 2.490 ( 0.000 0.000 0.540) 0.540 2.537 ( 0.000 0.000 7.347) 7.347 2.793 ( 0.000 0.000 2.189) 2.189 2.845 ( 0.000 0.000 11.185) 11.185 2.861 ( 0.000 0.000 0.410) 0.410 3.152 ( 0.000 0.000 6.247) 6.247 3.535 ( 0.000 0.000 11.044) 11.044 3.680 ( 0.000 0.000 -3.439) 3.439 3.966 ( 0.000 0.000 9.078) 9.078 3.971 ( 0.000 0.000 -12.641) 12.641 4.007 ( 0.000 0.000 -2.151) 2.151 4.117 ( 0.000 0.000 3.999) 3.999 4.349 ( 0.000 0.000 11.017) 11.017 4.548 ( 0.000 0.000 8.913) 8.913 4.632 ( 0.000 0.000 0.894) 0.894 4.724 ( 0.000 0.000 -0.662) 0.662 4.932 ( 0.000 0.000 3.527) 3.527 4.981 ( 0.000 0.000 7.567) 7.567 5.136 ( 0.000 0.000 3.355) 3.355 5.190 ( 0.000 0.000 -2.131) 2.131 5.201 ( 0.000 0.000 -2.038) 2.038 5.543 ( 0.000 0.000 0.260) 0.260 5.563 ( 0.000 0.000 1.047) 1.047 5.591 ( 0.000 0.000 1.556) 1.556 5.656 ( 0.000 0.000 5.261) 5.261 5.667 ( 0.000 0.000 0.105) 0.105 5.958 ( 0.000 0.000 7.821) 7.821 5.961 ( 0.000 0.000 0.882) 0.882 5.998 ( 0.000 0.000 -0.493) 0.493 6.059 ( 0.000 0.000 3.429) 3.429 6.100 ( 0.000 0.000 -2.673) 2.673 6.213 ( 0.000 0.000 5.508) 5.508 6.275 ( 0.000 0.000 5.830) 5.830 6.298 ( 0.000 0.000 -14.916) 14.916 6.517 ( 0.000 0.000 -0.847) 0.847 6.551 ( 0.000 0.000 -0.660) 0.660 6.556 ( 0.000 0.000 -5.201) 5.201 6.578 ( 0.000 0.000 -4.234) 4.234 6.644 ( 0.000 0.000 -5.208) 5.208 6.679 ( 0.000 0.000 -8.630) 8.630 6.826 ( 0.000 0.000 5.336) 5.336 6.929 ( 0.000 0.000 -2.280) 2.280 6.975 ( 0.000 0.000 -0.016) 0.016 6.982 ( 0.000 0.000 -7.331) 7.331 7.039 ( 0.000 0.000 0.130) 0.130 7.104 ( 0.000 0.000 5.585) 5.585 7.221 ( 0.000 0.000 0.408) 0.408 7.294 ( 0.000 0.000 14.102) 14.102 7.299 ( 0.000 0.000 -2.557) 2.557 7.429 ( 0.000 0.000 -1.445) 1.445 7.497 ( 0.000 0.000 -9.496) 9.496 7.520 ( 0.000 0.000 -10.929) 10.929 7.674 ( 0.000 0.000 -1.953) 1.953 7.709 ( 0.000 0.000 1.571) 1.571 7.942 ( 0.000 0.000 2.720) 2.720 7.975 ( 0.000 0.000 -4.198) 4.198 8.035 ( 0.000 0.000 8.493) 8.493 8.113 ( 0.000 0.000 -0.920) 0.920 8.173 ( 0.000 0.000 -1.108) 1.108 8.301 ( 0.000 0.000 4.082) 4.082 8.380 ( 0.000 0.000 -5.269) 5.269 8.468 ( 0.000 0.000 -8.885) 8.885 8.551 ( 0.000 0.000 0.956) 0.956 8.602 ( 0.000 0.000 -3.116) 3.116 8.625 ( 0.000 0.000 -8.338) 8.338 8.742 ( 0.000 0.000 1.687) 1.687 8.815 ( 0.000 0.000 2.419) 2.419 8.821 ( 0.000 0.000 -3.602) 3.602 9.093 ( 0.000 0.000 -3.356) 3.356 9.145 ( 0.000 0.000 -2.636) 2.636 9.442 ( 0.000 0.000 -6.095) 6.095 9.510 ( 0.000 0.000 -0.168) 0.168 9.654 ( 0.000 0.000 6.159) 6.159 9.665 ( 0.000 0.000 -1.372) 1.372 9.789 ( 0.000 0.000 1.455) 1.455 9.815 ( 0.000 0.000 4.100) 4.100 9.863 ( 0.000 0.000 1.638) 1.638 10.005 ( 0.000 0.000 6.543) 6.543 10.255 ( 0.000 0.000 1.227) 1.227 10.450 ( 0.000 0.000 4.961) 4.961 10.501 ( 0.000 0.000 1.159) 1.159 10.546 ( 0.000 0.000 3.169) 3.169 10.571 ( 0.000 0.000 4.576) 4.576 10.595 ( 0.000 0.000 -1.458) 1.458 10.679 ( 0.000 0.000 1.234) 1.234 10.964 ( 0.000 0.000 -1.070) 1.070 11.083 ( 0.000 0.000 -2.026) 2.026 11.177 ( 0.000 0.000 3.241) 3.241 11.369 ( 0.000 0.000 -5.678) 5.678 11.381 ( 0.000 0.000 5.538) 5.538 11.391 ( 0.000 0.000 -2.616) 2.616 11.441 ( 0.000 0.000 -0.331) 0.331 12.545 ( 0.000 0.000 0.888) 0.888 12.691 ( 0.000 0.000 0.175) 0.175 12.768 ( 0.000 0.000 2.085) 2.085 12.797 ( 0.000 0.000 -0.933) 0.933 12.976 ( 0.000 0.000 1.262) 1.262 13.010 ( 0.000 0.000 0.832) 0.832 13.306 ( 0.000 0.000 -1.270) 1.270 13.342 ( 0.000 0.000 -0.678) 0.678 13.525 ( 0.000 0.000 2.922) 2.922 13.557 ( 0.000 0.000 -0.738) 0.738 13.579 ( 0.000 0.000 -0.688) 0.688 13.648 ( 0.000 0.000 3.939) 3.939 13.737 ( 0.000 0.000 2.317) 2.317 13.896 ( 0.000 0.000 3.431) 3.431 13.978 ( 0.000 0.000 0.718) 0.718 14.494 ( 0.000 0.000 -4.424) 4.424 14.629 ( 0.000 0.000 -2.632) 2.632 14.724 ( 0.000 0.000 -5.041) 5.041 14.743 ( 0.000 0.000 2.299) 2.299 14.752 ( 0.000 0.000 -2.383) 2.383 15.007 ( 0.000 0.000 -6.010) 6.010 15.055 ( 0.000 0.000 -3.508) 3.508 15.072 ( 0.000 0.000 -4.367) 4.367 15.410 ( 0.000 0.000 -5.886) 5.886 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 31.665 0.000 28.416) 42.546 1.211 ( 27.086 0.000 32.671) 42.439 1.896 ( 38.346 0.000 53.171) 65.556 2.201 ( 5.600 0.000 -3.192) 6.446 2.382 ( -8.902 0.000 3.002) 9.394 2.588 ( 2.349 0.000 5.743) 6.205 2.718 ( -15.977 0.000 13.799) 21.111 2.805 ( 1.276 0.000 1.807) 2.212 2.927 ( 1.788 0.000 -1.908) 2.615 3.156 ( -2.890 0.000 4.732) 5.545 3.519 ( -28.268 0.000 7.227) 29.178 3.572 ( 8.393 0.000 -9.290) 12.520 3.765 ( 4.399 0.000 -8.844) 9.878 3.998 ( 4.564 0.000 1.301) 4.746 4.128 ( 10.522 0.000 -0.091) 10.522 4.319 ( -2.514 0.000 9.696) 10.017 4.439 ( 16.409 0.000 2.928) 16.669 4.582 ( 4.192 0.000 6.971) 8.134 4.741 ( 7.289 0.000 -0.966) 7.353 4.784 ( 6.105 0.000 1.638) 6.321 4.865 ( -7.475 0.000 7.150) 10.344 4.940 ( -3.019 0.000 3.894) 4.928 5.001 ( -25.049 0.000 -2.342) 25.158 5.093 ( -19.814 0.000 8.089) 21.402 5.141 ( -2.214 0.000 1.857) 2.890 5.329 ( -3.370 0.000 1.533) 3.702 5.474 ( -7.788 0.000 -2.099) 8.066 5.606 ( -5.924 0.000 4.865) 7.666 5.611 ( 4.413 0.000 0.742) 4.475 5.697 ( 3.238 0.000 -0.283) 3.250 5.839 ( 1.446 0.000 1.614) 2.167 5.925 ( 0.275 0.000 1.747) 1.769 6.029 ( -5.030 0.000 -2.757) 5.736 6.067 ( 6.031 0.000 1.079) 6.127 6.145 ( 0.847 0.000 3.262) 3.370 6.260 ( -4.204 0.000 -10.998) 11.774 6.280 ( 1.073 0.000 2.401) 2.630 6.489 ( 1.142 0.000 -3.127) 3.329 6.516 ( -5.036 0.000 -7.463) 9.004 6.579 ( -1.349 0.000 5.297) 5.466 6.597 ( 0.111 0.000 -5.731) 5.732 6.607 ( 15.335 0.000 -2.430) 15.527 6.709 ( 7.647 0.000 -4.979) 9.126 6.727 ( 5.782 0.000 -3.392) 6.704 6.854 ( 0.421 0.000 7.963) 7.974 6.889 ( -6.134 0.000 -5.711) 8.381 6.901 ( 0.306 0.000 -2.666) 2.683 6.987 ( -2.056 0.000 -2.221) 3.027 7.034 ( 13.081 0.000 4.857) 13.953 7.081 ( -4.067 0.000 -1.365) 4.290 7.212 ( 0.967 0.000 1.173) 1.520 7.350 ( 4.105 0.000 8.677) 9.599 7.358 ( 4.808 0.000 3.373) 5.873 7.419 ( -1.137 0.000 -2.867) 3.085 7.458 ( -5.479 0.000 -4.615) 7.163 7.555 ( -10.150 0.000 -1.228) 10.224 7.610 ( 7.853 0.000 -8.269) 11.404 7.678 ( -1.862 0.000 -3.621) 4.072 7.944 ( -3.727 0.000 -1.863) 4.167 8.014 ( -2.312 0.000 4.679) 5.219 8.075 ( 9.370 0.000 3.119) 9.875 8.124 ( 1.438 0.000 -2.432) 2.825 8.200 ( 2.081 0.000 -2.822) 3.506 8.360 ( 5.613 0.000 3.702) 6.724 8.368 ( -1.432 0.000 -4.502) 4.724 8.466 ( -0.049 0.000 -8.051) 8.051 8.548 ( -0.210 0.000 3.034) 3.042 8.571 ( -3.455 0.000 -0.640) 3.514 8.585 ( -3.325 0.000 -7.113) 7.852 8.689 ( -9.747 0.000 9.739) 13.778 8.737 ( -0.405 0.000 0.440) 0.598 8.809 ( -1.210 0.000 -1.880) 2.236 9.077 ( -1.408 0.000 -3.211) 3.506 9.132 ( -1.528 0.000 -2.295) 2.757 9.360 ( -0.529 0.000 -7.395) 7.414 9.498 ( -1.781 0.000 -2.155) 2.796 9.669 ( 0.179 0.000 3.263) 3.268 9.678 ( 0.784 0.000 5.706) 5.760 9.803 ( 1.345 0.000 1.071) 1.719 9.846 ( 2.177 0.000 4.477) 4.978 9.860 ( -0.351 0.000 1.399) 1.442 10.007 ( -1.460 0.000 1.208) 1.895 10.249 ( -0.279 0.000 1.378) 1.406 10.419 ( -6.385 0.000 1.557) 6.572 10.457 ( 1.121 0.000 4.304) 4.448 10.535 ( -0.681 0.000 2.696) 2.781 10.632 ( 3.305 0.000 -1.035) 3.464 10.648 ( 6.231 0.000 5.045) 8.017 10.726 ( 2.907 0.000 0.365) 2.930 10.987 ( 2.964 0.000 -1.200) 3.197 11.062 ( -4.602 0.000 3.731) 5.924 11.213 ( 3.584 0.000 2.654) 4.460 11.303 ( -0.918 0.000 -0.490) 1.041 11.339 ( -5.118 0.000 -2.296) 5.609 11.398 ( -0.472 0.000 -1.442) 1.518 11.429 ( -1.687 0.000 -0.254) 1.706 12.553 ( 1.690 0.000 2.235) 2.802 12.700 ( 0.938 0.000 0.100) 0.943 12.746 ( -2.451 0.000 2.159) 3.266 12.785 ( -1.258 0.000 -0.784) 1.482 12.978 ( 0.122 0.000 1.167) 1.173 12.999 ( -0.789 0.000 0.708) 1.060 13.310 ( 0.424 0.000 -1.196) 1.269 13.339 ( -0.297 0.000 -0.713) 0.772 13.540 ( 1.283 0.000 4.232) 4.422 13.558 ( 0.135 0.000 -0.676) 0.689 13.576 ( -0.288 0.000 -0.662) 0.722 13.614 ( -2.089 0.000 7.668) 7.947 13.739 ( 0.236 0.000 2.185) 2.197 13.825 ( -3.972 0.000 2.205) 4.543 14.109 ( 10.270 0.000 1.931) 10.450 14.555 ( 3.268 0.000 -11.242) 11.708 14.638 ( 0.055 0.000 -8.266) 8.266 14.670 ( -6.279 0.000 1.926) 6.568 14.784 ( 5.434 0.000 -4.518) 7.067 14.798 ( 3.354 0.000 -2.120) 3.968 15.005 ( -1.616 0.000 -5.704) 5.929 15.029 ( -2.779 0.000 -3.400) 4.391 15.078 ( 2.558 0.000 -3.624) 4.436 15.379 ( -3.585 0.000 -5.410) 6.490 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 30.352 0.000 27.376) 40.874 1.743 ( 28.143 0.000 17.843) 33.322 2.150 ( -16.122 0.000 6.257) 17.294 2.263 ( -25.859 0.000 22.602) 34.344 2.367 ( 11.159 0.000 1.483) 11.257 2.565 ( -6.871 0.000 5.847) 9.022 2.732 ( 35.647 0.000 18.028) 39.946 2.853 ( 5.047 0.000 1.923) 5.401 2.950 ( 0.053 0.000 0.565) 0.568 3.058 ( -19.590 0.000 5.446) 20.333 3.154 ( 10.506 0.000 5.056) 11.659 3.589 ( -12.706 0.000 -15.152) 19.775 3.837 ( 4.995 0.000 -9.235) 10.500 4.099 ( -23.360 0.000 8.807) 24.965 4.166 ( 7.804 0.000 10.818) 13.339 4.365 ( 14.090 0.000 2.252) 14.269 4.382 ( -17.494 0.000 14.093) 22.465 4.588 ( -8.153 0.000 3.825) 9.006 4.654 ( 9.251 0.000 3.622) 9.935 4.780 ( -0.799 0.000 4.602) 4.671 4.851 ( 5.388 0.000 -0.341) 5.399 4.867 ( -1.050 0.000 1.488) 1.821 4.892 ( 0.228 0.000 2.821) 2.830 4.954 ( -5.933 0.000 -0.974) 6.012 5.158 ( 4.411 0.000 0.530) 4.443 5.263 ( -5.625 0.000 -0.744) 5.674 5.351 ( -1.204 0.000 -0.604) 1.347 5.455 ( -9.337 0.000 4.333) 10.293 5.717 ( 6.475 0.000 -0.724) 6.515 5.786 ( 5.618 0.000 -2.051) 5.981 5.823 ( -3.099 0.000 1.575) 3.476 5.916 ( -6.944 0.000 -1.099) 7.031 5.995 ( 6.285 0.000 1.852) 6.552 6.117 ( -5.518 0.000 1.727) 5.782 6.187 ( 4.864 0.000 8.135) 9.479 6.239 ( 7.081 0.000 -6.111) 9.353 6.291 ( -2.804 0.000 3.800) 4.723 6.393 ( -8.249 0.000 -6.443) 10.468 6.442 ( -3.651 0.000 1.526) 3.957 6.464 ( -4.077 0.000 0.679) 4.133 6.627 ( 3.231 0.000 -5.729) 6.577 6.703 ( -4.322 0.000 -1.789) 4.678 6.805 ( 7.682 0.000 -0.797) 7.723 6.837 ( 1.852 0.000 -6.790) 7.038 6.894 ( -0.844 0.000 -2.208) 2.364 6.895 ( -1.302 0.000 -3.989) 4.196 6.950 ( 3.440 0.000 -2.478) 4.240 6.981 ( 10.965 0.000 -1.544) 11.073 7.016 ( -2.838 0.000 -4.350) 5.194 7.219 ( -9.575 0.000 -2.830) 9.984 7.296 ( 0.103 0.000 -0.694) 0.701 7.354 ( 15.743 0.000 5.808) 16.780 7.371 ( -3.973 0.000 -3.988) 5.630 7.424 ( 2.432 0.000 4.314) 4.952 7.462 ( -2.061 0.000 -1.124) 2.348 7.490 ( 9.628 0.000 4.783) 10.751 7.576 ( -6.075 0.000 0.669) 6.112 7.717 ( -3.221 0.000 -0.298) 3.235 7.863 ( 0.013 0.000 -3.130) 3.130 7.949 ( -5.015 0.000 -2.906) 5.796 8.165 ( 2.953 0.000 -4.858) 5.685 8.209 ( -0.370 0.000 -6.808) 6.818 8.227 ( 5.803 0.000 2.748) 6.420 8.320 ( -3.791 0.000 -1.006) 3.922 8.471 ( 5.539 0.000 3.638) 6.627 8.475 ( 1.294 0.000 -6.671) 6.796 8.512 ( -2.331 0.000 -3.230) 3.983 8.531 ( -1.901 0.000 0.255) 1.918 8.537 ( -1.616 0.000 4.516) 4.797 8.555 ( -4.580 0.000 6.624) 8.053 8.741 ( 1.238 0.000 -0.157) 1.248 8.778 ( -2.251 0.000 0.330) 2.275 9.063 ( 0.413 0.000 -2.669) 2.700 9.093 ( -2.437 0.000 -2.025) 3.168 9.406 ( 3.641 0.000 -9.256) 9.946 9.461 ( -2.327 0.000 -6.346) 6.759 9.672 ( 0.324 0.000 6.012) 6.021 9.681 ( -0.423 0.000 6.146) 6.161 9.829 ( 1.370 0.000 0.645) 1.514 9.849 ( -0.830 0.000 0.869) 1.202 9.891 ( 2.984 0.000 3.845) 4.867 9.954 ( -3.694 0.000 1.466) 3.974 10.259 ( 1.645 0.000 1.658) 2.336 10.315 ( -4.595 0.000 1.808) 4.938 10.486 ( 1.834 0.000 3.302) 3.777 10.517 ( -1.377 0.000 2.699) 3.030 10.697 ( 3.411 0.000 -0.663) 3.475 10.742 ( -1.134 0.000 -0.280) 1.168 10.777 ( 7.926 0.000 6.646) 10.344 10.929 ( -8.526 0.000 7.464) 11.331 11.080 ( 6.892 0.000 -1.677) 7.093 11.215 ( -7.301 0.000 -2.186) 7.621 11.297 ( 4.543 0.000 1.655) 4.835 11.333 ( 2.631 0.000 -2.751) 3.806 11.375 ( -1.880 0.000 -2.216) 2.906 11.378 ( -3.842 0.000 0.494) 3.873 12.607 ( 3.926 0.000 2.314) 4.557 12.683 ( -4.142 0.000 2.225) 4.702 12.723 ( 1.620 0.000 -0.120) 1.624 12.755 ( -1.811 0.000 -0.451) 1.866 12.981 ( 0.254 0.000 0.928) 0.962 12.987 ( -0.473 0.000 0.675) 0.824 13.320 ( 0.637 0.000 -1.017) 1.200 13.331 ( -0.561 0.000 -0.829) 1.001 13.563 ( 0.321 0.000 -0.593) 0.674 13.563 ( 1.201 0.000 6.196) 6.311 13.569 ( -0.409 0.000 -0.603) 0.728 13.585 ( -1.282 0.000 7.633) 7.739 13.748 ( 0.784 0.000 1.951) 2.103 13.772 ( -1.975 0.000 1.894) 2.736 14.313 ( 11.770 0.000 2.259) 11.985 14.518 ( -10.243 0.000 2.294) 10.497 14.599 ( 1.909 0.000 -11.279) 11.439 14.627 ( -1.144 0.000 -10.714) 10.775 14.873 ( 4.747 0.000 -2.768) 5.495 14.877 ( 4.603 0.000 -5.207) 6.950 14.952 ( -3.650 0.000 -5.130) 6.296 14.961 ( -4.583 0.000 -3.136) 5.553 15.165 ( 6.280 0.000 -3.925) 7.406 15.285 ( -6.375 0.000 -4.446) 7.772 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.000 26.493 24.161) 35.855 1.260 ( 0.000 29.939 31.711) 43.611 1.997 ( 0.000 39.955 48.590) 62.908 2.151 ( 0.000 0.867 -4.173) 4.262 2.454 ( 0.000 -3.544 -0.969) 3.674 2.490 ( 0.000 -3.779 9.993) 10.684 2.731 ( 0.000 -7.770 -6.439) 10.092 2.902 ( 0.000 5.667 10.008) 11.501 2.936 ( 0.000 -8.085 3.164) 8.682 3.400 ( 0.000 20.633 -14.667) 25.315 3.556 ( 0.000 -13.510 -5.236) 14.489 3.658 ( 0.000 12.959 1.661) 13.065 3.752 ( 0.000 -10.176 5.841) 11.733 4.000 ( 0.000 -13.966 1.484) 14.045 4.007 ( 0.000 1.893 10.313) 10.485 4.139 ( 0.000 5.627 -6.153) 8.338 4.275 ( 0.000 -10.615 7.988) 13.285 4.399 ( 0.000 -2.781 0.969) 2.946 4.602 ( 0.000 -8.210 -0.274) 8.214 4.799 ( 0.000 -5.658 5.138) 7.643 4.857 ( 0.000 -6.412 2.928) 7.049 4.907 ( 0.000 3.760 5.953) 7.041 4.986 ( 0.000 -9.743 3.421) 10.326 5.204 ( 0.000 1.362 0.565) 1.474 5.206 ( 0.000 0.708 1.125) 1.329 5.428 ( 0.000 -4.778 1.004) 4.882 5.627 ( 0.000 3.823 2.886) 4.791 5.680 ( 0.000 4.986 1.143) 5.116 5.734 ( 0.000 9.376 3.399) 9.973 5.938 ( 0.000 -4.950 5.394) 7.321 5.962 ( 0.000 1.650 1.286) 2.092 5.993 ( 0.000 -1.843 1.203) 2.201 6.035 ( 0.000 21.014 -1.166) 21.046 6.117 ( 0.000 3.689 -2.985) 4.746 6.145 ( 0.000 -6.368 4.065) 7.555 6.165 ( 0.000 11.004 1.383) 11.090 6.203 ( 0.000 -4.254 -0.871) 4.342 6.295 ( 0.000 0.937 -9.317) 9.364 6.378 ( 0.000 -9.364 -0.196) 9.366 6.527 ( 0.000 -2.669 -1.209) 2.930 6.563 ( 0.000 -0.556 -3.072) 3.122 6.606 ( 0.000 -2.646 -5.543) 6.142 6.658 ( 0.000 2.236 -1.697) 2.807 6.698 ( 0.000 1.368 -6.509) 6.651 6.842 ( 0.000 3.281 0.639) 3.343 6.903 ( 0.000 -3.068 -0.418) 3.096 6.947 ( 0.000 1.229 0.581) 1.359 6.980 ( 0.000 -0.861 4.523) 4.604 7.039 ( 0.000 5.667 -4.770) 7.407 7.165 ( 0.000 5.441 7.639) 9.378 7.223 ( 0.000 1.345 1.921) 2.345 7.290 ( 0.000 0.728 -0.537) 0.905 7.293 ( 0.000 -0.887 9.413) 9.454 7.441 ( 0.000 2.655 -1.355) 2.980 7.528 ( 0.000 -0.408 -10.829) 10.836 7.559 ( 0.000 -7.381 -0.160) 7.383 7.657 ( 0.000 8.701 -8.834) 12.400 7.752 ( 0.000 1.381 0.164) 1.390 7.913 ( 0.000 -3.374 -4.021) 5.249 7.963 ( 0.000 -0.704 1.189) 1.382 7.981 ( 0.000 -4.670 5.077) 6.898 8.096 ( 0.000 -2.565 0.406) 2.596 8.179 ( 0.000 -0.340 -0.473) 0.583 8.307 ( 0.000 1.148 3.838) 4.006 8.337 ( 0.000 -4.904 -6.808) 8.391 8.479 ( 0.000 -3.179 0.853) 3.292 8.486 ( 0.000 1.690 -8.432) 8.599 8.635 ( 0.000 1.004 -6.505) 6.582 8.660 ( 0.000 1.736 -1.330) 2.187 8.705 ( 0.000 -4.663 4.016) 6.154 8.735 ( 0.000 -0.486 2.498) 2.545 8.831 ( 0.000 -1.921 0.145) 1.927 9.090 ( 0.000 -0.745 -2.516) 2.624 9.133 ( 0.000 -1.327 -2.363) 2.710 9.409 ( 0.000 -1.522 -6.648) 6.820 9.506 ( 0.000 -0.420 -1.165) 1.239 9.664 ( 0.000 0.765 1.840) 1.992 9.673 ( 0.000 2.141 7.219) 7.529 9.783 ( 0.000 0.367 -0.247) 0.443 9.856 ( 0.000 -3.230 6.685) 7.424 9.895 ( 0.000 6.546 3.939) 7.640 9.980 ( 0.000 1.587 4.665) 4.927 10.204 ( 0.000 -6.072 9.078) 10.922 10.376 ( 0.000 -6.908 5.788) 9.013 10.403 ( 0.000 -9.811 3.748) 10.503 10.462 ( 0.000 -3.382 3.906) 5.167 10.576 ( 0.000 -2.121 4.036) 4.559 10.618 ( 0.000 -0.008 -2.506) 2.506 10.738 ( 0.000 5.177 2.388) 5.701 10.802 ( 0.000 -3.047 10.233) 10.677 10.994 ( 0.000 1.009 -1.023) 1.437 11.149 ( 0.000 -3.678 2.433) 4.410 11.223 ( 0.000 -8.005 3.417) 8.704 11.352 ( 0.000 -3.067 -2.872) 4.201 11.399 ( 0.000 2.523 -4.565) 5.216 11.503 ( 0.000 2.936 -0.522) 2.982 12.530 ( 0.000 0.968 1.753) 2.002 12.680 ( 0.000 -0.918 0.555) 1.072 12.803 ( 0.000 3.321 1.557) 3.668 12.827 ( 0.000 2.951 -0.805) 3.059 13.039 ( 0.000 6.491 0.987) 6.565 13.040 ( 0.000 3.718 0.437) 3.744 13.362 ( 0.000 1.814 -0.381) 1.854 13.436 ( 0.000 2.515 -1.851) 3.123 13.503 ( 0.000 -1.824 2.477) 3.076 13.564 ( 0.000 0.484 -0.604) 0.774 13.590 ( 0.000 0.181 2.022) 2.030 13.651 ( 0.000 1.083 0.618) 1.247 13.698 ( 0.000 -3.087 2.256) 3.823 13.871 ( 0.000 -2.106 3.607) 4.177 13.952 ( 0.000 -2.504 0.112) 2.506 14.438 ( 0.000 -12.606 -3.181) 13.001 14.715 ( 0.000 -0.237 -5.396) 5.401 14.766 ( 0.000 1.107 -5.299) 5.413 14.782 ( 0.000 2.361 -2.093) 3.155 14.884 ( 0.000 9.044 -12.276) 15.248 15.077 ( 0.000 2.167 -3.932) 4.489 15.086 ( 0.000 3.146 -3.885) 5.000 15.166 ( 0.000 15.124 -17.526) 23.150 15.414 ( 0.000 0.340 -6.027) 6.036 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.20 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 28.177 18.942 20.130) 39.471 1.445 ( 18.361 23.188 26.908) 39.985 2.081 ( 6.190 7.468 15.776) 18.519 2.349 ( 2.031 6.096 4.494) 7.841 2.367 ( 11.034 7.202 9.080) 16.002 2.558 ( 5.069 2.672 10.206) 11.705 2.617 ( -7.112 -4.738 4.353) 9.590 2.777 ( -6.833 0.701 10.499) 12.547 2.915 ( -6.353 -4.059 7.754) 10.815 3.358 ( -14.147 -3.733 0.184) 14.632 3.405 ( -16.094 7.703 -0.892) 17.865 3.611 ( 10.483 5.711 -13.947) 18.358 3.839 ( 5.023 -2.953 10.160) 11.712 3.947 ( 1.034 -3.347 -9.496) 10.121 4.135 ( 5.569 -4.085 9.439) 11.696 4.258 ( 11.041 -4.609 -0.803) 11.991 4.282 ( 5.459 -9.413 5.058) 11.999 4.502 ( 4.109 -8.381 4.636) 10.422 4.553 ( -4.107 -14.060 1.788) 14.757 4.756 ( -9.048 -5.572 10.441) 14.897 4.832 ( -2.314 -4.955 1.665) 5.716 4.936 ( 5.817 7.685 -1.433) 9.745 5.014 ( 1.995 -7.444 1.588) 7.868 5.115 ( -11.536 5.804 -0.267) 12.917 5.175 ( -21.227 7.013 7.020) 23.432 5.385 ( -4.472 1.595 4.949) 6.858 5.408 ( -2.571 -3.387 1.738) 4.593 5.617 ( -3.536 6.460 -1.411) 7.498 5.708 ( 0.695 3.902 5.671) 6.919 5.816 ( -0.777 1.287 1.226) 1.940 5.976 ( -2.647 5.423 4.613) 7.596 5.995 ( -0.201 2.334 1.383) 2.720 6.042 ( 2.965 6.890 -1.889) 7.735 6.081 ( -2.991 6.332 -3.391) 7.780 6.131 ( 4.277 -0.918 3.027) 5.320 6.194 ( -1.497 -6.584 -9.541) 11.688 6.259 ( -3.070 3.058 -3.828) 5.782 6.390 ( 1.413 -10.536 -2.569) 10.936 6.487 ( 0.232 -2.807 -5.274) 5.979 6.561 ( 8.422 0.491 2.123) 8.699 6.625 ( -1.097 0.958 -3.053) 3.382 6.638 ( 4.945 1.832 -1.778) 5.565 6.674 ( 4.668 -4.905 -1.571) 6.951 6.715 ( 5.527 1.059 -6.932) 8.929 6.846 ( -5.265 0.544 1.411) 5.478 6.885 ( 0.237 4.979 -0.250) 4.991 6.974 ( 2.128 0.001 0.634) 2.220 7.024 ( 6.628 3.955 -0.368) 7.727 7.032 ( 6.527 3.699 -0.568) 7.523 7.163 ( -2.049 7.126 3.985) 8.418 7.183 ( -2.496 -4.860 5.478) 7.737 7.267 ( 3.775 1.931 0.769) 4.309 7.380 ( 0.653 -4.992 0.196) 5.039 7.435 ( -1.558 2.389 -1.675) 3.308 7.478 ( -0.344 1.278 0.201) 1.339 7.553 ( -8.342 -0.430 -0.865) 8.397 7.631 ( -2.184 -2.040 -4.363) 5.289 7.708 ( 3.695 5.704 -6.400) 9.336 7.896 ( -3.030 -4.674 -2.245) 6.005 7.977 ( -0.273 -3.421 1.175) 3.628 8.078 ( 6.363 -1.206 1.319) 6.610 8.115 ( 3.419 -0.010 -0.329) 3.435 8.195 ( 0.847 -0.866 -2.550) 2.823 8.327 ( -0.914 -4.175 -4.881) 6.488 8.351 ( 4.265 -0.494 2.721) 5.083 8.465 ( -0.459 -1.681 -3.763) 4.147 8.501 ( 0.846 0.738 -3.096) 3.293 8.599 ( -3.005 2.143 -3.455) 5.056 8.637 ( -2.821 -0.108 1.508) 3.201 8.680 ( -2.433 1.975 5.800) 6.592 8.733 ( -0.779 -0.281 1.146) 1.414 8.790 ( -2.476 -2.145 -0.805) 3.373 9.067 ( -1.796 -1.021 -2.732) 3.425 9.120 ( -1.651 -1.269 -2.048) 2.921 9.378 ( 0.065 1.807 -7.884) 8.089 9.493 ( -1.365 -0.424 -3.826) 4.085 9.658 ( -0.017 -0.742 2.245) 2.364 9.681 ( -0.068 0.850 7.801) 7.847 9.811 ( 2.009 -0.330 3.047) 3.665 9.853 ( 0.229 1.897 3.522) 4.007 9.922 ( 0.902 3.464 0.521) 3.617 9.971 ( -1.342 -0.376 2.939) 3.252 10.221 ( 1.360 -4.239 6.754) 8.089 10.369 ( -0.311 -6.581 5.647) 8.677 10.395 ( -0.415 -10.566 3.194) 11.046 10.411 ( -4.797 -1.982 3.631) 6.335 10.623 ( 5.039 -1.714 2.140) 5.736 10.715 ( 6.419 2.722 -2.226) 7.319 10.753 ( 1.712 0.832 5.652) 5.964 10.852 ( 3.715 -3.355 5.553) 7.477 11.015 ( 2.225 -0.246 0.359) 2.267 11.179 ( 2.766 -4.725 1.210) 5.607 11.219 ( 0.259 -5.464 2.768) 6.131 11.314 ( -3.810 -2.961 -2.368) 5.375 11.393 ( -0.610 2.085 -4.406) 4.913 11.482 ( -2.277 2.814 -0.501) 3.654 12.554 ( 2.592 1.108 1.790) 3.339 12.695 ( 1.342 -0.661 0.554) 1.595 12.778 ( -2.601 2.967 1.324) 4.162 12.813 ( -1.450 2.765 -0.634) 3.186 13.038 ( -0.170 4.415 0.496) 4.446 13.039 ( -0.056 6.094 0.889) 6.159 13.363 ( 0.119 2.163 -0.472) 2.217 13.411 ( -2.013 3.623 -2.080) 4.638 13.521 ( 1.460 -1.752 3.914) 4.530 13.559 ( -0.290 0.083 -0.315) 0.436 13.591 ( -0.194 0.944 1.349) 1.658 13.609 ( -2.625 -0.004 3.093) 4.056 13.724 ( 1.471 -1.415 2.163) 2.974 13.818 ( -3.108 -0.446 2.727) 4.159 14.057 ( 8.519 -4.792 1.046) 9.830 14.423 ( -1.816 -12.817 -2.765) 13.237 14.706 ( -0.979 1.462 -6.700) 6.927 14.749 ( -1.328 4.861 -6.391) 8.139 14.809 ( 2.007 1.345 -3.946) 4.627 14.867 ( -1.047 5.894 -9.657) 11.362 15.041 ( -3.352 2.196 -5.141) 6.518 15.086 ( -2.098 4.338 -5.464) 7.285 15.120 ( 0.180 7.755 -5.578) 9.555 15.385 ( -3.512 0.554 -5.488) 6.539 ======================= Grid point 42 (18/60) ======================= q-point: ( 0.40 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 22.277 12.309 16.824) 30.509 1.930 ( 29.456 14.459 17.448) 37.164 2.162 ( -11.171 1.106 3.128) 11.653 2.230 ( 6.621 -5.641 7.707) 11.621 2.409 ( -15.481 5.962 17.558) 24.156 2.523 ( -7.348 -4.110 3.080) 8.965 2.560 ( 0.639 -7.403 4.849) 8.873 2.660 ( -15.476 -12.172 8.602) 21.486 3.040 ( 16.292 9.514 4.197) 19.328 3.179 ( -7.246 5.356 -0.694) 9.037 3.313 ( 19.870 10.849 10.545) 24.974 3.677 ( -5.381 5.186 -12.654) 14.696 3.889 ( 4.953 0.642 -2.164) 5.443 4.083 ( 7.984 -9.213 2.713) 12.490 4.186 ( -4.857 4.827 7.441) 10.113 4.315 ( -25.986 -1.641 13.036) 29.118 4.417 ( 6.764 -2.076 3.362) 7.833 4.440 ( 3.435 -22.177 4.475) 22.883 4.509 ( -1.903 -14.544 4.100) 15.230 4.579 ( 2.890 -2.028 5.343) 6.405 4.630 ( -10.156 -1.601 11.987) 15.792 4.752 ( -8.619 -5.208 1.449) 10.174 5.016 ( 3.274 6.990 -0.641) 7.745 5.066 ( -1.715 5.690 0.532) 5.967 5.161 ( 7.812 0.023 -1.374) 7.932 5.304 ( -6.580 -3.099 -1.714) 7.473 5.442 ( 3.043 4.920 2.161) 6.175 5.518 ( -5.604 6.976 0.661) 8.973 5.762 ( 3.642 2.203 4.004) 5.844 5.807 ( -0.434 -0.694 3.237) 3.339 5.932 ( -0.402 4.968 1.402) 5.178 5.974 ( -3.335 1.625 -0.953) 3.830 6.050 ( 1.030 5.393 -3.241) 6.376 6.105 ( 3.036 4.146 0.978) 5.231 6.110 ( -4.317 -2.873 -3.440) 6.222 6.183 ( -3.319 -5.204 0.349) 6.183 6.274 ( 7.943 3.607 3.115) 9.263 6.428 ( -4.297 0.335 -2.277) 4.874 6.458 ( 2.188 -2.993 -1.081) 3.862 6.543 ( -3.154 -0.096 -0.331) 3.172 6.586 ( -0.786 5.560 -4.652) 7.292 6.635 ( -5.399 -3.202 -0.637) 6.310 6.754 ( 4.545 -0.693 -6.563) 8.013 6.817 ( -1.400 -0.542 -4.398) 4.647 6.848 ( 7.989 -3.064 -5.545) 10.196 6.960 ( -2.290 -1.362 -2.437) 3.611 7.014 ( 7.823 5.969 -3.182) 10.341 7.052 ( 2.746 4.989 -0.451) 5.712 7.109 ( -1.449 10.114 1.595) 10.341 7.169 ( 0.831 -9.290 1.595) 9.462 7.250 ( 0.976 -7.208 -0.138) 7.275 7.303 ( -10.340 -0.161 1.207) 10.411 7.359 ( 3.232 -1.825 0.624) 3.764 7.409 ( 3.944 3.394 -0.768) 5.260 7.434 ( 6.141 2.765 1.483) 6.896 7.557 ( 4.399 0.168 2.162) 4.904 7.581 ( -4.231 -0.297 -0.171) 4.245 7.709 ( -7.048 -1.236 3.250) 7.859 7.871 ( 3.324 0.977 -6.944) 7.761 7.949 ( -3.354 -0.183 -4.065) 5.273 8.137 ( 2.727 -3.275 -3.861) 5.751 8.181 ( -1.494 -3.101 -4.348) 5.545 8.223 ( 4.844 0.485 -0.418) 4.886 8.294 ( -2.821 -2.298 -1.520) 3.943 8.426 ( 2.905 -1.946 -0.216) 3.503 8.461 ( -0.941 -2.385 -1.796) 3.131 8.525 ( 2.461 2.229 -1.698) 3.730 8.565 ( -0.824 2.780 0.461) 2.936 8.580 ( -1.734 3.036 5.445) 6.471 8.619 ( -3.748 4.703 1.968) 6.328 8.733 ( 1.099 -0.677 0.243) 1.313 8.760 ( -1.531 -1.583 0.756) 2.328 9.048 ( 0.266 -1.334 -2.515) 2.859 9.078 ( -2.518 -1.457 -1.954) 3.504 9.417 ( 3.003 1.060 -9.807) 10.311 9.463 ( -2.009 0.142 -7.777) 8.034 9.661 ( 0.472 -0.913 5.104) 5.207 9.674 ( -0.720 -0.306 6.818) 6.862 9.843 ( 1.472 -0.704 4.302) 4.601 9.858 ( -0.036 1.284 2.267) 2.605 9.925 ( -0.068 2.883 0.581) 2.942 9.938 ( -1.660 0.623 1.859) 2.569 10.253 ( 2.569 -1.514 4.277) 5.214 10.318 ( -4.486 -0.647 3.227) 5.564 10.376 ( 0.524 -8.281 4.987) 9.680 10.387 ( -0.582 -10.053 3.830) 10.774 10.713 ( 4.351 -0.931 2.703) 5.206 10.765 ( -0.984 -0.492 4.724) 4.851 10.815 ( 4.767 3.387 -0.220) 5.852 10.880 ( -1.447 0.151 2.608) 2.987 11.073 ( 4.724 -2.032 0.090) 5.144 11.175 ( -5.036 -4.656 -0.617) 6.886 11.252 ( 2.640 -3.196 0.082) 4.146 11.272 ( 0.345 -3.506 -0.051) 3.523 11.386 ( 0.455 1.723 -3.125) 3.598 11.426 ( -3.394 2.437 -0.880) 4.270 12.618 ( 4.231 1.325 1.867) 4.810 12.694 ( -3.260 0.952 1.942) 3.912 12.745 ( 0.998 1.794 -0.300) 2.075 12.779 ( -2.130 2.108 -0.459) 3.032 13.036 ( 0.010 5.070 0.585) 5.104 13.037 ( -0.091 5.809 0.768) 5.860 13.368 ( 0.396 3.029 -0.833) 3.166 13.381 ( -1.180 3.942 -1.502) 4.380 13.545 ( 1.035 -1.708 5.146) 5.520 13.558 ( -0.137 -0.732 2.774) 2.872 13.574 ( -0.572 0.744 -0.093) 0.943 13.583 ( -0.830 0.331 2.804) 2.943 13.747 ( 1.254 -0.107 2.556) 2.849 13.774 ( -1.825 0.447 2.745) 3.327 14.222 ( 8.917 -8.250 0.658) 12.167 14.358 ( -5.642 -11.749 -0.980) 13.070 14.694 ( 0.069 4.398 -9.044) 10.057 14.714 ( -2.001 6.799 -9.534) 11.880 14.847 ( 1.934 -0.955 -5.347) 5.765 14.864 ( 0.118 -0.522 -5.637) 5.662 14.999 ( -0.504 3.588 -3.542) 5.067 15.028 ( -3.120 5.223 -3.082) 6.820 15.183 ( 5.364 1.910 -3.821) 6.857 15.293 ( -6.124 0.743 -4.299) 7.519 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 0.000 21.273 11.539) 24.201 1.832 ( 0.000 23.096 18.439) 29.553 2.219 ( 0.000 7.059 -5.056) 8.682 2.261 ( 0.000 0.990 2.590) 2.773 2.383 ( 0.000 -2.378 -0.677) 2.473 2.510 ( 0.000 -9.117 -9.252) 12.989 2.716 ( 0.000 -10.495 7.125) 12.685 3.019 ( 0.000 39.747 24.744) 46.820 3.053 ( 0.000 11.074 6.647) 12.915 3.360 ( 0.000 -27.422 8.185) 28.618 3.375 ( 0.000 -5.909 -2.365) 6.365 3.676 ( 0.000 8.494 -6.820) 10.893 3.825 ( 0.000 3.423 7.647) 8.378 3.866 ( 0.000 -17.438 7.609) 19.026 3.880 ( 0.000 1.700 7.766) 7.950 4.072 ( 0.000 -1.932 14.904) 15.028 4.252 ( 0.000 -5.820 -0.810) 5.876 4.314 ( 0.000 2.334 1.145) 2.600 4.563 ( 0.000 0.106 -4.883) 4.884 4.563 ( 0.000 -8.220 2.595) 8.620 4.704 ( 0.000 -10.313 1.131) 10.375 4.959 ( 0.000 5.885 4.346) 7.315 5.001 ( 0.000 1.129 2.506) 2.749 5.190 ( 0.000 -3.646 5.520) 6.615 5.208 ( 0.000 -0.804 6.677) 6.725 5.406 ( 0.000 3.113 -0.077) 3.114 5.531 ( 0.000 -24.273 0.378) 24.276 5.708 ( 0.000 4.666 -1.545) 4.915 5.735 ( 0.000 -8.249 1.384) 8.364 5.860 ( 0.000 4.845 4.795) 6.817 5.921 ( 0.000 -6.164 0.643) 6.197 5.976 ( 0.000 -0.358 1.100) 1.157 5.989 ( 0.000 -7.259 1.651) 7.444 6.113 ( 0.000 -8.620 2.471) 8.967 6.199 ( 0.000 7.089 -3.049) 7.717 6.285 ( 0.000 4.053 -4.739) 6.236 6.425 ( 0.000 12.349 -3.744) 12.904 6.437 ( 0.000 13.996 -2.243) 14.175 6.473 ( 0.000 -0.759 -2.769) 2.871 6.476 ( 0.000 2.714 -2.314) 3.566 6.526 ( 0.000 7.134 -6.241) 9.478 6.604 ( 0.000 3.288 -3.660) 4.920 6.672 ( 0.000 4.461 -2.084) 4.924 6.732 ( 0.000 3.248 -1.269) 3.487 6.860 ( 0.000 -0.861 0.147) 0.874 6.930 ( 0.000 2.255 -1.616) 2.775 7.025 ( 0.000 3.784 0.250) 3.792 7.057 ( 0.000 8.083 2.234) 8.386 7.146 ( 0.000 3.318 -0.093) 3.319 7.206 ( 0.000 -8.639 4.651) 9.812 7.249 ( 0.000 2.619 6.535) 7.040 7.266 ( 0.000 1.025 2.041) 2.284 7.322 ( 0.000 3.973 0.408) 3.994 7.412 ( 0.000 -6.963 1.432) 7.108 7.470 ( 0.000 -4.158 -5.567) 6.948 7.498 ( 0.000 2.140 -2.923) 3.622 7.768 ( 0.000 2.926 5.400) 6.142 7.794 ( 0.000 1.237 -3.155) 3.389 7.815 ( 0.000 -6.034 -5.809) 8.376 7.906 ( 0.000 -0.211 -6.186) 6.189 7.963 ( 0.000 -0.633 2.241) 2.329 8.015 ( 0.000 -4.671 2.691) 5.391 8.151 ( 0.000 -2.273 -0.450) 2.317 8.214 ( 0.000 -7.099 -7.715) 10.484 8.354 ( 0.000 3.682 1.355) 3.924 8.452 ( 0.000 -0.759 -1.715) 1.875 8.523 ( 0.000 2.143 -7.738) 8.029 8.611 ( 0.000 -2.884 -2.110) 3.573 8.652 ( 0.000 0.584 -4.091) 4.132 8.704 ( 0.000 -0.627 -0.823) 1.035 8.740 ( 0.000 1.347 5.585) 5.745 8.787 ( 0.000 -1.616 5.726) 5.949 9.069 ( 0.000 -0.954 -1.696) 1.946 9.100 ( 0.000 -1.993 -2.007) 2.829 9.419 ( 0.000 2.109 -7.387) 7.682 9.493 ( 0.000 -1.078 -2.967) 3.157 9.706 ( 0.000 3.586 3.754) 5.191 9.733 ( 0.000 3.936 7.274) 8.270 9.787 ( 0.000 -0.370 -1.531) 1.575 9.796 ( 0.000 -1.872 7.819) 8.040 9.993 ( 0.000 -3.556 3.739) 5.159 10.000 ( 0.000 1.280 4.583) 4.758 10.146 ( 0.000 3.132 8.073) 8.659 10.207 ( 0.000 -4.368 4.028) 5.942 10.311 ( 0.000 -3.032 7.411) 8.007 10.378 ( 0.000 -5.428 5.205) 7.521 10.579 ( 0.000 1.872 1.325) 2.294 10.594 ( 0.000 -1.389 -1.119) 1.784 10.844 ( 0.000 5.297 0.504) 5.321 10.893 ( 0.000 6.012 -0.526) 6.035 10.974 ( 0.000 -2.043 0.175) 2.051 11.036 ( 0.000 -5.649 2.191) 6.059 11.111 ( 0.000 -4.455 4.356) 6.231 11.262 ( 0.000 -6.391 -1.019) 6.471 11.469 ( 0.000 4.040 -4.245) 5.861 11.538 ( 0.000 0.721 -2.144) 2.262 12.568 ( 0.000 2.685 1.263) 2.967 12.658 ( 0.000 -1.599 0.905) 1.837 12.872 ( 0.000 3.547 0.743) 3.624 12.888 ( 0.000 2.964 -0.558) 3.016 13.137 ( 0.000 6.273 0.326) 6.282 13.197 ( 0.000 9.031 0.156) 9.033 13.384 ( 0.000 0.035 0.598) 0.599 13.436 ( 0.000 -0.904 1.655) 1.886 13.466 ( 0.000 -1.995 2.785) 3.426 13.550 ( 0.000 -2.756 -0.569) 2.814 13.579 ( 0.000 -0.522 2.201) 2.263 13.635 ( 0.000 -3.314 2.562) 4.189 13.706 ( 0.000 4.720 -1.446) 4.937 13.850 ( 0.000 0.850 2.977) 3.096 13.888 ( 0.000 -4.117 -0.715) 4.179 14.175 ( 0.000 -14.422 -0.862) 14.448 14.722 ( 0.000 0.897 -6.279) 6.343 14.766 ( 0.000 -0.753 -7.041) 7.081 14.828 ( 0.000 2.475 -1.599) 2.947 14.912 ( 0.000 -1.650 -3.796) 4.139 15.126 ( 0.000 2.756 -4.846) 5.575 15.149 ( 0.000 2.596 -5.239) 5.847 15.360 ( 0.000 5.144 -15.419) 16.254 15.418 ( 0.000 0.003 -6.786) 6.786 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.20 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 16.474 14.156 8.393) 23.285 1.918 ( 9.030 19.212 14.844) 25.904 2.182 ( -0.629 4.695 -1.339) 4.923 2.284 ( -8.157 -4.549 1.781) 9.508 2.354 ( 6.408 3.861 4.393) 8.676 2.491 ( -3.507 -3.510 -6.528) 8.200 2.702 ( -1.457 -5.036 1.533) 5.462 2.929 ( -6.448 13.323 12.762) 19.544 3.183 ( 8.612 22.809 14.944) 28.597 3.261 ( -6.438 2.751 6.524) 9.569 3.428 ( 7.464 -22.524 4.360) 24.126 3.556 ( -16.960 6.693 0.889) 18.255 3.765 ( 3.864 -9.752 -1.581) 10.608 3.870 ( -3.663 -9.393 8.597) 13.250 3.941 ( -0.366 -5.894 5.339) 7.961 4.065 ( 4.538 -4.561 13.412) 14.876 4.296 ( 2.151 -10.384 7.179) 12.806 4.333 ( -2.086 0.987 -1.366) 2.681 4.417 ( 3.471 5.222 -1.103) 6.366 4.710 ( 0.274 -7.797 1.826) 8.012 4.755 ( 2.613 1.204 6.376) 6.995 4.959 ( 5.317 4.534 1.499) 7.147 5.022 ( 0.411 -0.203 -0.915) 1.024 5.196 ( -0.084 2.271 3.964) 4.570 5.243 ( -2.752 -1.127 5.116) 5.918 5.353 ( -6.227 -4.910 7.058) 10.616 5.407 ( -8.758 0.372 4.422) 9.818 5.665 ( -4.581 -4.217 -1.120) 6.326 5.755 ( 0.959 1.399 2.424) 2.959 5.794 ( -3.562 -9.749 2.666) 10.717 5.849 ( -0.466 -0.390 -1.381) 1.509 5.958 ( 1.171 -5.715 0.048) 5.834 6.029 ( -0.458 -1.718 -2.553) 3.111 6.156 ( -4.655 6.167 -4.957) 9.180 6.209 ( 5.360 0.842 2.702) 6.062 6.240 ( -0.749 1.056 -5.521) 5.671 6.327 ( -5.184 0.463 -1.547) 5.430 6.408 ( -2.294 11.016 -4.707) 12.198 6.496 ( -1.466 3.236 -0.793) 3.640 6.558 ( 3.578 2.809 -2.118) 5.018 6.594 ( 8.031 1.648 -2.567) 8.591 6.621 ( 2.322 0.238 -2.250) 3.242 6.723 ( 4.325 0.997 -7.697) 8.885 6.736 ( 1.520 4.729 -4.193) 6.500 6.875 ( -0.695 0.124 0.237) 0.744 6.967 ( -3.799 2.969 2.112) 5.264 7.034 ( -3.410 6.901 -1.252) 7.798 7.051 ( 0.947 -5.476 -1.934) 5.884 7.122 ( 9.796 5.033 1.527) 11.119 7.137 ( -4.823 -4.828 4.673) 8.271 7.242 ( -3.521 3.316 4.196) 6.403 7.291 ( 1.019 5.532 4.748) 7.361 7.354 ( 5.862 2.673 -0.247) 6.447 7.450 ( 1.296 -4.882 0.467) 5.073 7.491 ( 1.345 -1.108 -3.144) 3.594 7.505 ( 0.844 -0.362 -0.402) 1.002 7.627 ( -10.161 1.478 -3.231) 10.764 7.774 ( -2.589 -0.545 7.322) 7.786 7.815 ( 1.725 -3.164 -6.885) 7.771 7.923 ( 1.884 0.146 -6.801) 7.059 8.019 ( 2.507 -4.310 1.838) 5.314 8.103 ( 4.639 -2.711 -2.993) 6.151 8.165 ( 2.698 -1.840 -3.906) 5.091 8.239 ( 2.069 -3.912 -3.773) 5.816 8.360 ( 1.037 1.465 0.980) 2.045 8.447 ( -0.331 -0.059 -1.933) 1.962 8.533 ( 1.042 1.839 -5.744) 6.121 8.609 ( -0.211 -1.518 -0.955) 1.806 8.639 ( -1.181 1.647 -2.341) 3.097 8.705 ( 0.684 -0.552 0.142) 0.891 8.738 ( -1.521 -2.008 4.046) 4.766 8.760 ( -1.696 2.296 5.524) 6.218 9.047 ( -1.840 -0.762 -2.216) 2.979 9.088 ( -1.601 -1.939 -1.866) 3.132 9.422 ( 0.615 2.585 -8.478) 8.884 9.485 ( -0.905 -0.506 -5.447) 5.545 9.659 ( -2.142 0.871 3.065) 3.839 9.714 ( -1.963 2.175 7.295) 7.862 9.809 ( 1.404 0.132 2.867) 3.195 9.837 ( 2.027 -1.311 5.237) 5.766 9.980 ( -0.775 0.521 2.452) 2.624 10.005 ( 0.044 -0.032 3.012) 3.013 10.139 ( -0.058 -1.468 8.627) 8.751 10.220 ( 0.801 -4.057 5.852) 7.166 10.283 ( -2.007 -3.314 6.167) 7.283 10.353 ( -2.266 -3.811 5.277) 6.893 10.617 ( 4.801 1.382 0.426) 5.014 10.686 ( 6.714 -1.150 1.406) 6.955 10.859 ( 0.831 4.821 0.390) 4.908 10.890 ( -0.080 2.841 -0.177) 2.847 10.973 ( 0.114 -3.090 0.566) 3.144 11.068 ( 3.103 -3.806 1.737) 5.209 11.147 ( 3.430 -3.372 2.370) 5.362 11.235 ( -2.303 -5.363 -0.562) 5.863 11.453 ( -1.687 3.578 -4.089) 5.689 11.516 ( -2.402 0.718 -2.062) 3.246 12.591 ( 2.471 2.501 1.223) 3.722 12.677 ( 1.940 -1.316 0.997) 2.548 12.837 ( -3.300 2.926 0.237) 4.416 12.869 ( -2.222 2.662 -0.090) 3.468 13.144 ( 0.688 6.674 0.341) 6.718 13.191 ( -0.545 8.805 0.257) 8.826 13.390 ( 0.531 -0.256 0.495) 0.770 13.423 ( -0.906 -0.652 0.536) 1.238 13.483 ( 1.418 -2.004 3.942) 4.644 13.552 ( -0.010 -1.018 -0.379) 1.087 13.583 ( 0.488 -0.750 2.099) 2.282 13.625 ( -0.810 -0.427 1.202) 1.511 13.720 ( 1.420 2.684 0.249) 3.046 13.822 ( -1.550 1.103 2.852) 3.428 13.953 ( 5.084 -5.618 0.108) 7.578 14.164 ( -1.281 -14.013 -0.833) 14.096 14.711 ( -0.094 -0.114 -8.687) 8.689 14.799 ( 2.411 1.119 -5.745) 6.330 14.839 ( 1.039 1.994 -2.444) 3.321 14.907 ( -1.110 -0.326 -4.962) 5.096 15.082 ( -3.540 2.117 -6.653) 7.828 15.146 ( -0.862 2.359 -4.437) 5.098 15.275 ( -5.895 5.543 -9.558) 12.523 15.396 ( -3.474 0.479 -5.988) 6.939 ======================= Grid point 47 (21/60) ======================= q-point: ( 0.40 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 8.949 -0.825 1.763) 9.158 2.112 ( -5.791 -4.583 0.169) 7.387 2.165 ( 14.109 6.657 8.411) 17.723 2.250 ( 4.758 1.595 6.910) 8.540 2.391 ( -2.517 2.067 2.795) 4.293 2.455 ( -2.376 6.608 1.940) 7.285 2.656 ( 0.671 18.754 9.121) 20.865 2.819 ( -9.955 14.945 12.629) 21.953 3.072 ( -0.010 1.432 3.903) 4.158 3.233 ( -14.203 3.461 0.720) 14.637 3.450 ( 10.848 -11.698 -0.483) 15.961 3.615 ( -4.593 -13.876 -4.737) 15.365 3.754 ( 13.433 -9.041 10.423) 19.257 3.912 ( 5.044 -9.174 6.868) 12.521 3.948 ( -2.624 -22.786 10.028) 25.034 4.019 ( -7.390 -13.984 3.119) 16.122 4.325 ( 6.244 10.537 11.254) 16.633 4.414 ( 5.057 7.094 12.418) 15.169 4.556 ( 7.390 3.026 0.653) 8.012 4.664 ( -4.943 2.059 4.579) 7.046 4.706 ( -4.992 2.295 5.714) 7.927 4.799 ( -19.800 15.767 9.854) 27.161 5.081 ( 4.865 3.971 0.837) 6.336 5.159 ( -2.956 1.848 1.008) 3.629 5.184 ( 6.646 3.563 -0.205) 7.543 5.302 ( -4.755 2.563 1.422) 5.585 5.420 ( 6.082 -5.010 5.444) 9.577 5.545 ( -7.383 -3.004 3.226) 8.599 5.783 ( 2.352 -6.827 2.670) 7.699 5.812 ( 0.552 -9.706 1.713) 9.871 5.833 ( -0.288 1.643 -2.368) 2.897 5.904 ( -4.612 -4.528 0.193) 6.466 6.016 ( 0.847 -0.877 -5.977) 6.100 6.068 ( -4.510 1.452 -6.167) 7.777 6.249 ( 1.816 -0.666 -1.821) 2.657 6.279 ( -1.148 -1.393 -0.258) 1.823 6.350 ( 6.215 1.473 -1.875) 6.657 6.397 ( 1.724 9.414 -3.381) 10.150 6.453 ( -0.560 4.637 1.135) 4.807 6.568 ( -5.680 2.088 2.987) 6.748 6.646 ( 1.440 0.891 -6.483) 6.701 6.667 ( 0.640 0.307 -4.989) 5.039 6.786 ( 2.673 4.844 -2.944) 6.267 6.799 ( 2.543 0.066 -8.329) 8.709 6.857 ( 1.786 2.868 -0.542) 3.422 6.934 ( -2.841 -1.730 -0.450) 3.357 6.972 ( -1.460 -5.857 -2.865) 6.682 7.032 ( -5.311 -7.473 1.479) 9.286 7.081 ( 5.200 -2.070 -0.146) 5.599 7.167 ( -3.210 2.369 1.070) 4.131 7.294 ( 1.716 8.507 2.678) 9.082 7.354 ( 4.492 4.420 1.046) 6.388 7.387 ( -2.695 2.883 2.389) 4.613 7.470 ( -0.364 0.830 1.725) 1.949 7.500 ( 2.595 3.299 -0.217) 4.203 7.518 ( 1.072 -1.237 -3.402) 3.775 7.548 ( 3.105 -3.027 1.697) 4.657 7.682 ( -7.217 -0.701 6.989) 10.071 7.880 ( 4.390 -0.848 -6.979) 8.288 7.939 ( -1.110 -0.436 -6.002) 6.119 8.059 ( 2.347 -4.081 -4.386) 6.434 8.104 ( -2.071 -4.787 -6.969) 8.705 8.235 ( 2.612 0.522 -2.140) 3.417 8.259 ( -0.155 -1.194 -2.161) 2.474 8.399 ( 2.700 -1.041 0.506) 2.937 8.436 ( -1.222 -0.276 -0.732) 1.451 8.564 ( 2.457 1.670 -2.727) 4.032 8.600 ( -0.758 1.364 0.283) 1.586 8.635 ( 0.553 1.690 0.138) 1.784 8.668 ( -3.800 -0.367 -0.638) 3.870 8.731 ( 1.383 0.912 4.137) 4.456 8.750 ( -0.532 1.273 4.405) 4.615 9.024 ( -0.170 -0.973 -2.321) 2.523 9.047 ( -2.359 -1.597 -1.974) 3.466 9.441 ( 1.301 1.378 -10.839) 11.004 9.464 ( -1.213 0.036 -9.893) 9.967 9.647 ( 0.701 -0.493 5.309) 5.378 9.675 ( -2.114 0.261 6.735) 7.064 9.830 ( 1.081 -0.361 4.444) 4.588 9.847 ( -0.530 -0.765 5.674) 5.750 9.977 ( 0.531 2.355 1.114) 2.658 9.994 ( -1.130 2.516 0.824) 2.879 10.160 ( 2.247 -7.085 9.044) 11.706 10.206 ( -2.348 -7.468 8.104) 11.267 10.276 ( 1.297 -0.750 4.984) 5.205 10.310 ( -2.231 -1.052 5.522) 6.047 10.715 ( 5.077 1.874 1.039) 5.511 10.767 ( 0.620 1.161 2.208) 2.571 10.863 ( 0.786 1.444 0.096) 1.647 10.888 ( -0.949 -1.697 0.667) 2.055 11.000 ( 3.667 -4.350 0.284) 5.697 11.081 ( -3.502 -3.993 0.555) 5.340 11.205 ( 3.548 -1.683 -0.273) 3.937 11.234 ( 1.285 -0.970 0.700) 1.756 11.423 ( -0.567 2.064 -3.363) 3.987 11.458 ( -3.519 0.833 -2.151) 4.207 12.652 ( 4.005 2.067 1.272) 4.683 12.708 ( -0.193 0.230 1.591) 1.619 12.781 ( -1.149 1.851 -0.418) 2.218 12.816 ( -3.256 1.474 -0.089) 3.576 13.160 ( 0.996 7.478 0.427) 7.557 13.178 ( -0.917 8.222 0.410) 8.283 13.399 ( 0.491 -0.721 0.297) 0.922 13.409 ( -0.623 -0.654 0.152) 0.916 13.511 ( 1.697 -1.185 3.177) 3.792 13.540 ( -1.297 -0.725 1.520) 2.126 13.596 ( 0.848 1.417 0.797) 1.833 13.611 ( -0.757 1.701 0.707) 1.992 13.755 ( 2.253 1.635 2.585) 3.799 13.793 ( -1.794 1.712 3.654) 4.416 14.048 ( 5.032 -9.308 -0.105) 10.582 14.124 ( -3.168 -12.436 -0.581) 12.846 14.735 ( 2.913 0.478 -11.321) 11.699 14.807 ( -3.355 2.876 -9.922) 10.862 14.857 ( 0.786 1.358 -3.898) 4.202 14.867 ( -1.102 0.731 -5.586) 5.741 15.058 ( 1.419 2.466 -3.470) 4.487 15.108 ( -3.217 2.737 -3.808) 5.687 15.231 ( 1.660 2.760 -3.976) 5.117 15.306 ( -5.512 0.511 -3.952) 6.802 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( 0.000 -11.236 6.053) 12.763 1.839 ( 0.000 11.236 6.053) 12.763 2.327 ( 0.000 -4.133 -10.797) 11.561 2.327 ( 0.000 4.133 -10.797) 11.561 2.480 ( 0.000 -11.195 6.166) 12.781 2.480 ( 0.000 11.195 6.166) 12.781 2.743 ( 0.000 -32.519 8.240) 33.546 2.743 ( 0.000 32.519 8.240) 33.546 3.329 ( 0.000 -13.265 2.787) 13.555 3.329 ( 0.000 13.266 2.787) 13.555 3.449 ( 0.000 -11.058 -1.308) 11.135 3.449 ( 0.000 11.058 -1.308) 11.135 3.916 ( 0.000 -12.660 14.325) 19.118 3.916 ( 0.000 12.660 14.325) 19.118 3.950 ( 0.000 -4.978 13.430) 14.323 3.950 ( 0.000 4.978 13.430) 14.323 4.259 ( 0.000 -18.480 12.966) 22.575 4.259 ( 0.000 18.480 12.966) 22.575 4.499 ( 0.000 -10.546 0.653) 10.566 4.499 ( 0.000 10.546 0.653) 10.566 4.804 ( 0.000 -19.614 -7.987) 21.178 4.804 ( 0.000 19.614 -7.987) 21.178 5.077 ( 0.000 -4.478 3.135) 5.466 5.077 ( 0.000 4.478 3.135) 5.466 5.233 ( 0.000 -4.764 7.284) 8.704 5.233 ( 0.000 4.764 7.284) 8.704 5.546 ( 0.000 -10.977 -1.613) 11.095 5.546 ( 0.000 10.977 -1.613) 11.095 5.793 ( 0.000 -4.322 0.352) 4.337 5.793 ( 0.000 4.322 0.352) 4.337 5.941 ( 0.000 -1.133 -0.024) 1.133 5.941 ( 0.000 1.133 -0.024) 1.133 5.983 ( 0.000 -2.248 3.995) 4.584 5.983 ( 0.000 2.248 3.995) 4.584 6.323 ( 0.000 -3.666 -2.944) 4.701 6.323 ( 0.000 3.666 -2.944) 4.701 6.402 ( 0.000 -0.212 -3.999) 4.004 6.402 ( 0.000 0.212 -3.999) 4.004 6.582 ( 0.000 -0.625 -8.120) 8.144 6.582 ( 0.000 0.625 -8.120) 8.144 6.638 ( 0.000 -1.838 -5.060) 5.384 6.638 ( 0.000 1.838 -5.060) 5.384 6.830 ( 0.000 -1.776 0.359) 1.812 6.830 ( 0.000 1.776 0.359) 1.812 6.947 ( 0.000 -7.427 -0.060) 7.428 6.947 ( 0.000 7.427 -0.060) 7.428 6.997 ( 0.000 -3.405 2.815) 4.418 6.997 ( 0.000 3.405 2.815) 4.418 7.152 ( 0.000 -0.639 3.578) 3.634 7.152 ( 0.000 0.639 3.578) 3.634 7.282 ( 0.000 -0.680 1.692) 1.824 7.282 ( 0.000 0.680 1.692) 1.824 7.341 ( 0.000 -1.648 0.038) 1.649 7.341 ( 0.000 1.648 0.038) 1.649 7.486 ( 0.000 -2.993 -2.210) 3.720 7.486 ( 0.000 2.993 -2.210) 3.720 7.750 ( 0.000 -0.103 -1.226) 1.230 7.750 ( 0.000 0.103 -1.226) 1.230 7.861 ( 0.000 -6.461 6.891) 9.446 7.861 ( 0.000 6.461 6.891) 9.446 7.979 ( 0.000 -3.408 -7.774) 8.488 7.979 ( 0.000 3.408 -7.774) 8.488 8.124 ( 0.000 -0.517 -3.573) 3.610 8.124 ( 0.000 0.517 -3.573) 3.610 8.421 ( 0.000 -2.630 -1.618) 3.088 8.421 ( 0.000 2.630 -1.618) 3.088 8.565 ( 0.000 -2.272 -5.982) 6.399 8.565 ( 0.000 2.272 -5.982) 6.399 8.669 ( 0.000 -1.741 -2.693) 3.207 8.669 ( 0.000 1.741 -2.693) 3.207 8.770 ( 0.000 -0.915 8.139) 8.190 8.770 ( 0.000 0.915 8.139) 8.190 9.069 ( 0.000 -0.953 -1.878) 2.106 9.069 ( 0.000 0.953 -1.878) 2.106 9.463 ( 0.000 -2.111 -5.541) 5.929 9.463 ( 0.000 2.111 -5.541) 5.929 9.766 ( 0.000 -1.162 1.331) 1.767 9.766 ( 0.000 1.162 1.331) 1.767 9.790 ( 0.000 -0.243 6.088) 6.093 9.790 ( 0.000 0.243 6.088) 6.093 9.939 ( 0.000 -1.319 6.315) 6.451 9.939 ( 0.000 1.319 6.315) 6.451 10.233 ( 0.000 -2.614 5.549) 6.134 10.233 ( 0.000 2.614 5.549) 6.134 10.274 ( 0.000 -3.836 4.612) 5.999 10.274 ( 0.000 3.836 4.612) 5.999 10.593 ( 0.000 -0.446 0.970) 1.068 10.593 ( 0.000 0.446 0.970) 1.068 10.896 ( 0.000 -1.090 -3.058) 3.247 10.896 ( 0.000 1.090 -3.058) 3.247 10.993 ( 0.000 -3.824 3.564) 5.228 10.993 ( 0.000 3.824 3.564) 5.228 11.127 ( 0.000 -7.212 1.446) 7.356 11.127 ( 0.000 7.212 1.446) 7.356 11.527 ( 0.000 -1.898 -3.354) 3.853 11.527 ( 0.000 1.898 -3.354) 3.853 12.619 ( 0.000 -2.502 1.104) 2.735 12.619 ( 0.000 2.502 1.104) 2.735 12.915 ( 0.000 -0.384 -0.079) 0.392 12.915 ( 0.000 0.384 -0.079) 0.392 13.250 ( 0.000 -4.395 0.135) 4.397 13.250 ( 0.000 4.395 0.135) 4.397 13.428 ( 0.000 -1.013 2.399) 2.604 13.428 ( 0.000 1.013 2.399) 2.604 13.452 ( 0.000 -5.006 0.419) 5.024 13.452 ( 0.000 5.006 0.419) 5.024 13.590 ( 0.000 -1.420 2.141) 2.569 13.590 ( 0.000 1.420 2.141) 2.569 13.804 ( 0.000 -4.878 -0.748) 4.935 13.804 ( 0.000 4.878 -0.748) 4.935 13.940 ( 0.000 -9.440 0.623) 9.461 13.940 ( 0.000 9.440 0.623) 9.461 14.744 ( 0.000 -0.937 -7.099) 7.160 14.744 ( 0.000 0.937 -7.099) 7.160 14.873 ( 0.000 -2.253 -1.803) 2.886 14.873 ( 0.000 2.253 -1.803) 2.886 15.164 ( 0.000 -0.642 -5.488) 5.526 15.164 ( 0.000 0.642 -5.488) 5.526 15.409 ( 0.000 -0.689 -9.345) 9.371 15.409 ( 0.000 0.689 -9.345) 9.371 ======================= Grid point 52 (23/60) ======================= q-point: ( 0.20 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 5.230 0.000 3.086) 6.072 1.954 ( 10.054 0.000 5.359) 11.393 2.214 ( -8.963 -0.000 -3.011) 9.455 2.260 ( -3.887 0.000 -1.822) 4.293 2.528 ( 3.254 0.000 -0.414) 3.280 2.561 ( 1.891 -0.000 -1.256) 2.270 2.744 ( 8.295 0.000 1.923) 8.515 2.864 ( 8.696 -0.000 11.146) 14.137 3.263 ( -9.092 -0.000 4.804) 10.283 3.290 ( -5.331 0.000 12.460) 13.552 3.393 ( 0.002 0.000 -3.699) 3.699 3.422 ( -4.304 0.000 0.937) 4.405 3.760 ( -10.173 0.000 9.111) 13.656 3.811 ( -11.628 -0.000 13.868) 18.098 3.937 ( -1.369 0.000 10.167) 10.259 3.959 ( -8.421 -0.000 6.351) 10.547 4.204 ( 10.359 0.000 12.349) 16.118 4.434 ( 9.860 0.000 16.112) 18.890 4.517 ( 3.564 -0.000 -1.125) 3.737 4.570 ( 4.692 0.000 2.783) 5.455 4.846 ( 5.051 -0.000 3.844) 6.347 4.921 ( 3.103 0.000 -7.297) 7.929 5.048 ( 2.452 0.000 2.369) 3.410 5.116 ( -3.218 0.000 8.274) 8.878 5.192 ( 7.675 0.000 5.244) 9.295 5.305 ( 1.209 0.000 3.782) 3.971 5.481 ( -5.579 0.000 1.811) 5.866 5.528 ( -3.355 -0.000 -0.786) 3.445 5.728 ( -10.600 0.000 4.985) 11.714 5.738 ( -0.886 -0.000 0.805) 1.198 5.856 ( -3.071 0.000 -2.049) 3.692 5.916 ( 4.030 0.000 -2.741) 4.873 6.015 ( 0.741 0.000 -4.517) 4.577 6.193 ( 9.069 0.000 -1.592) 9.207 6.256 ( -3.718 -0.000 -2.757) 4.629 6.285 ( -5.484 0.000 -2.885) 6.197 6.351 ( -10.853 0.000 0.706) 10.876 6.369 ( 3.241 -0.000 -3.264) 4.600 6.591 ( 4.149 0.000 -3.807) 5.631 6.615 ( -0.661 -0.000 -4.631) 4.678 6.638 ( 0.581 0.000 -2.891) 2.949 6.707 ( 5.303 0.000 -12.197) 13.299 6.765 ( -9.372 0.000 3.682) 10.070 6.789 ( -3.363 -0.000 -5.384) 6.348 6.836 ( 1.996 0.000 -1.460) 2.473 6.864 ( 0.987 0.000 3.758) 3.885 7.020 ( -2.661 0.000 3.828) 4.662 7.072 ( -4.975 0.000 -1.754) 5.275 7.139 ( -3.462 0.000 2.520) 4.282 7.248 ( 10.066 -0.000 4.972) 11.227 7.284 ( -3.058 -0.000 -0.084) 3.059 7.310 ( 6.762 0.000 -1.067) 6.845 7.374 ( 1.358 0.000 0.285) 1.388 7.409 ( 3.519 0.000 0.374) 3.539 7.416 ( 4.476 0.000 4.906) 6.641 7.577 ( 0.192 0.000 -3.180) 3.186 7.601 ( -8.190 -0.000 -4.184) 9.197 7.752 ( -2.132 0.000 -1.148) 2.421 7.795 ( -0.691 0.000 9.600) 9.625 7.925 ( 2.494 0.000 2.255) 3.362 8.017 ( 0.612 -0.000 -11.543) 11.559 8.020 ( 2.359 0.000 -8.208) 8.540 8.148 ( 6.166 0.000 -2.423) 6.625 8.203 ( 4.134 0.000 -1.927) 4.561 8.381 ( -1.544 0.000 -1.916) 2.461 8.450 ( 0.602 0.000 -0.511) 0.789 8.556 ( 0.386 0.000 -5.590) 5.603 8.591 ( 1.684 0.000 -3.333) 3.734 8.659 ( -0.901 0.000 -3.391) 3.509 8.676 ( -0.109 0.000 -1.519) 1.522 8.732 ( -1.203 0.000 8.196) 8.284 8.786 ( -0.149 0.000 7.124) 7.126 9.044 ( -1.779 0.000 -2.263) 2.879 9.062 ( -1.398 0.000 -1.866) 2.332 9.454 ( -0.171 0.000 -7.818) 7.820 9.476 ( 0.283 -0.000 -6.644) 6.650 9.674 ( -4.116 0.000 1.997) 4.574 9.732 ( -3.175 0.000 6.448) 7.187 9.827 ( 1.468 0.000 5.328) 5.527 9.828 ( 1.133 -0.000 3.001) 3.208 9.957 ( 1.363 -0.000 5.649) 5.811 9.959 ( 2.649 0.000 5.694) 6.280 10.177 ( -4.894 0.000 6.840) 8.410 10.190 ( -3.727 0.000 6.048) 7.104 10.274 ( 0.742 0.000 4.226) 4.291 10.292 ( 0.715 0.000 4.902) 4.954 10.637 ( 5.237 0.000 0.172) 5.240 10.682 ( 6.873 0.000 2.469) 7.303 10.865 ( -0.564 0.000 -0.237) 0.612 10.890 ( -2.032 0.000 -0.515) 2.096 11.000 ( -1.482 0.000 -1.523) 2.125 11.058 ( 6.100 0.000 1.721) 6.338 11.108 ( -1.535 0.000 1.266) 1.990 11.151 ( 3.379 0.000 2.247) 4.058 11.501 ( -2.498 0.000 -3.441) 4.252 11.510 ( -2.081 -0.000 -3.035) 3.680 12.629 ( 1.819 -0.000 0.639) 1.928 12.651 ( 2.738 0.000 1.609) 3.175 12.868 ( -3.725 0.000 -0.600) 3.773 12.896 ( -2.810 0.000 0.510) 2.856 13.249 ( 0.633 0.000 -0.085) 0.639 13.267 ( 0.865 0.000 0.346) 0.932 13.395 ( -1.987 0.000 1.248) 2.346 13.399 ( -1.545 -0.000 2.168) 2.662 13.471 ( 2.070 0.000 0.374) 2.104 13.522 ( 3.614 0.000 0.842) 3.711 13.571 ( -0.213 0.000 2.382) 2.392 13.617 ( 1.305 0.000 2.573) 2.885 13.788 ( -0.255 0.000 -0.742) 0.785 13.826 ( 0.814 0.000 0.922) 1.230 13.938 ( 0.247 0.000 0.332) 0.414 13.950 ( 0.536 -0.000 0.511) 0.740 14.710 ( -0.501 0.000 -9.989) 10.002 14.808 ( 3.592 0.000 -5.195) 6.316 14.867 ( 0.360 0.000 -2.723) 2.747 14.894 ( 0.487 0.000 -2.769) 2.812 15.105 ( -4.016 0.000 -7.774) 8.750 15.168 ( -1.190 0.000 -3.918) 4.095 15.323 ( -5.311 0.000 -7.878) 9.501 15.400 ( -3.576 0.000 -6.585) 7.493 ======================= Grid point 54 (24/60) ======================= q-point: ( 0.40 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 3.774 0.000 1.036) 3.914 2.059 ( -6.689 0.000 2.601) 7.177 2.145 ( 8.468 0.000 1.901) 8.679 2.226 ( -1.094 0.000 2.965) 3.160 2.556 ( -0.098 0.000 -5.664) 5.665 2.563 ( 0.311 -0.000 -4.977) 4.987 2.996 ( 13.902 0.000 -3.221) 14.270 3.027 ( 6.267 -0.000 6.216) 8.827 3.145 ( 0.897 0.000 9.826) 9.867 3.185 ( -1.246 -0.000 16.285) 16.333 3.292 ( -9.759 -0.000 9.285) 13.470 3.408 ( -4.264 0.000 -0.375) 4.280 3.478 ( -13.007 0.000 15.169) 19.982 3.573 ( -9.878 -0.000 9.963) 14.030 3.935 ( 1.326 -0.000 -1.186) 1.779 3.940 ( 1.250 0.000 -2.808) 3.074 4.407 ( 11.181 0.000 18.560) 21.668 4.553 ( -1.459 0.000 20.100) 20.153 4.602 ( 4.685 -0.000 -1.747) 5.000 4.636 ( 2.391 0.000 0.100) 2.393 4.845 ( -2.970 -0.000 8.067) 8.596 4.884 ( -2.299 0.000 11.217) 11.450 5.155 ( 6.237 0.000 5.100) 8.057 5.198 ( 9.605 0.000 -0.289) 9.609 5.267 ( -4.682 0.000 3.411) 5.792 5.338 ( 6.946 0.000 5.996) 9.176 5.357 ( -7.050 0.000 4.105) 8.158 5.451 ( -4.966 0.000 2.107) 5.394 5.629 ( 0.214 0.000 -1.717) 1.731 5.694 ( -4.509 0.000 0.316) 4.520 5.844 ( 1.011 0.000 -4.724) 4.831 5.893 ( -4.996 0.000 -3.240) 5.954 6.022 ( 1.967 0.000 -6.490) 6.782 6.107 ( -9.065 0.000 -5.087) 10.395 6.218 ( -0.564 -0.000 -3.081) 3.132 6.227 ( -1.346 0.000 -2.032) 2.437 6.366 ( 7.002 0.000 0.579) 7.026 6.452 ( 2.267 0.000 -6.127) 6.533 6.542 ( -3.174 0.000 1.936) 3.718 6.597 ( -3.332 0.000 -2.462) 4.142 6.655 ( 0.961 -0.000 -4.058) 4.170 6.673 ( -1.285 0.000 -1.565) 2.025 6.811 ( 4.056 0.000 0.804) 4.135 6.822 ( 5.752 -0.000 -10.064) 11.592 6.896 ( 2.452 0.000 4.747) 5.342 6.896 ( 2.399 -0.000 -0.697) 2.499 6.937 ( -4.658 0.000 3.131) 5.612 6.963 ( -6.306 0.000 -8.114) 10.277 7.089 ( 0.075 -0.000 -0.522) 0.527 7.171 ( -7.358 0.000 -1.958) 7.614 7.363 ( 3.706 0.000 2.008) 4.215 7.398 ( 1.231 0.000 1.648) 2.057 7.436 ( 3.885 0.000 2.912) 4.855 7.473 ( 1.426 0.000 7.623) 7.755 7.499 ( -0.905 -0.000 0.276) 0.946 7.509 ( -4.382 0.000 -4.821) 6.515 7.551 ( 7.552 0.000 0.708) 7.585 7.685 ( -5.766 0.000 5.850) 8.214 7.858 ( 5.408 0.000 -2.181) 5.831 7.933 ( -2.078 0.000 -2.920) 3.584 8.026 ( 0.913 0.000 -11.728) 11.764 8.040 ( -0.120 0.000 -9.007) 9.008 8.240 ( 2.419 0.000 -2.645) 3.584 8.248 ( 0.965 0.000 -2.374) 2.563 8.389 ( 2.526 0.000 -0.002) 2.526 8.437 ( -1.973 0.000 0.385) 2.010 8.581 ( 1.920 0.000 -2.948) 3.518 8.612 ( -0.649 0.000 -0.915) 1.122 8.642 ( 0.252 0.000 -3.496) 3.505 8.658 ( -1.008 0.000 0.036) 1.008 8.745 ( 1.643 0.000 5.879) 6.104 8.772 ( -1.195 0.000 6.426) 6.536 9.017 ( -0.711 0.000 -2.306) 2.413 9.028 ( -1.794 0.000 -2.054) 2.727 9.455 ( 0.259 0.000 -10.950) 10.953 9.467 ( -0.958 0.000 -11.049) 11.090 9.642 ( 0.537 0.000 5.612) 5.638 9.676 ( -2.777 0.000 6.730) 7.281 9.837 ( 0.304 0.000 4.119) 4.130 9.840 ( 0.094 -0.000 4.645) 4.646 9.990 ( 2.195 -0.000 3.742) 4.338 10.008 ( 1.585 0.000 2.483) 2.946 10.101 ( -2.362 -0.000 10.153) 10.424 10.121 ( -3.357 0.000 8.695) 9.320 10.289 ( 0.852 0.000 4.871) 4.944 10.299 ( -0.083 -0.000 5.106) 5.107 10.747 ( 6.092 0.000 -0.234) 6.097 10.785 ( 3.129 0.000 1.894) 3.657 10.853 ( -1.703 0.000 0.988) 1.969 10.861 ( -1.613 0.000 1.699) 2.343 10.969 ( 0.911 0.000 -1.924) 2.129 11.036 ( -4.447 0.000 1.367) 4.652 11.193 ( 5.782 0.000 -0.133) 5.784 11.224 ( 2.760 0.000 0.766) 2.864 11.450 ( -2.212 0.000 -3.231) 3.916 11.460 ( -2.843 -0.000 -2.796) 3.987 12.679 ( 3.270 -0.000 0.647) 3.334 12.704 ( 2.041 0.000 1.938) 2.815 12.801 ( -2.416 0.000 -0.844) 2.559 12.829 ( -3.936 -0.000 0.491) 3.967 13.265 ( 0.909 0.000 0.083) 0.913 13.275 ( -0.088 0.000 0.279) 0.292 13.373 ( -0.464 0.000 1.383) 1.459 13.377 ( -0.820 -0.000 1.888) 2.059 13.507 ( 1.873 0.000 -0.425) 1.921 13.535 ( -1.106 0.000 -0.722) 1.320 13.606 ( 2.470 0.000 3.581) 4.350 13.629 ( -0.117 -0.000 2.881) 2.884 13.800 ( 1.434 0.000 1.201) 1.870 13.826 ( -0.949 0.000 2.497) 2.671 13.947 ( 0.656 -0.000 -0.067) 0.659 13.955 ( -0.082 0.000 0.168) 0.187 14.737 ( 3.680 0.000 -12.544) 13.073 14.831 ( -4.824 0.000 -10.704) 11.741 14.871 ( 0.770 0.000 -4.077) 4.149 14.878 ( 0.482 0.000 -3.364) 3.398 15.083 ( 1.998 0.000 -4.094) 4.555 15.131 ( -2.593 0.000 -3.454) 4.319 15.262 ( -0.604 0.000 -4.388) 4.429 15.310 ( -5.119 0.000 -3.648) 6.286 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 0.000 0.000 29.081) 29.081 1.784 ( 0.000 0.000 39.857) 39.857 2.003 ( 0.000 0.000 -9.433) 9.433 2.521 ( 0.000 0.000 2.645) 2.645 2.746 ( 0.000 0.000 12.761) 12.761 2.854 ( 0.000 0.000 10.983) 10.983 2.860 ( 0.000 0.000 4.999) 4.999 2.988 ( 0.000 0.000 53.543) 53.543 2.990 ( 0.000 0.000 0.985) 0.985 3.263 ( 0.000 0.000 8.225) 8.225 3.420 ( 0.000 0.000 -18.373) 18.373 3.866 ( 0.000 0.000 20.344) 20.344 3.952 ( 0.000 0.000 -3.563) 3.563 4.016 ( 0.000 0.000 16.297) 16.297 4.212 ( 0.000 0.000 14.439) 14.439 4.258 ( 0.000 0.000 9.687) 9.687 4.586 ( 0.000 0.000 9.982) 9.982 4.650 ( 0.000 0.000 1.106) 1.106 4.740 ( 0.000 0.000 2.741) 2.741 4.774 ( 0.000 0.000 12.676) 12.676 5.007 ( 0.000 0.000 3.447) 3.447 5.120 ( 0.000 0.000 -7.118) 7.118 5.156 ( 0.000 0.000 -0.101) 0.101 5.172 ( 0.000 0.000 10.446) 10.446 5.301 ( 0.000 0.000 13.391) 13.391 5.448 ( 0.000 0.000 -7.561) 7.561 5.554 ( 0.000 0.000 -0.441) 0.441 5.729 ( 0.000 0.000 8.933) 8.933 5.763 ( 0.000 0.000 2.917) 2.917 5.775 ( 0.000 0.000 6.416) 6.416 5.872 ( 0.000 0.000 -17.054) 17.054 5.996 ( 0.000 0.000 3.243) 3.243 6.021 ( 0.000 0.000 -0.025) 0.025 6.028 ( 0.000 0.000 -4.204) 4.204 6.077 ( 0.000 0.000 -5.853) 5.853 6.147 ( 0.000 0.000 8.525) 8.525 6.187 ( 0.000 0.000 6.126) 6.126 6.358 ( 0.000 0.000 -2.762) 2.762 6.383 ( 0.000 0.000 -11.620) 11.620 6.441 ( 0.000 0.000 -13.564) 13.564 6.519 ( 0.000 0.000 -1.546) 1.546 6.539 ( 0.000 0.000 -0.149) 0.149 6.606 ( 0.000 0.000 0.711) 0.711 6.681 ( 0.000 0.000 8.536) 8.536 6.853 ( 0.000 0.000 -6.245) 6.245 6.916 ( 0.000 0.000 1.557) 1.557 6.920 ( 0.000 0.000 6.064) 6.064 6.962 ( 0.000 0.000 -0.680) 0.680 7.029 ( 0.000 0.000 -0.273) 0.273 7.179 ( 0.000 0.000 -3.851) 3.851 7.183 ( 0.000 0.000 -4.325) 4.325 7.225 ( 0.000 0.000 -4.600) 4.600 7.281 ( 0.000 0.000 -10.979) 10.979 7.366 ( 0.000 0.000 0.553) 0.553 7.415 ( 0.000 0.000 -0.502) 0.502 7.537 ( 0.000 0.000 9.217) 9.217 7.656 ( 0.000 0.000 2.683) 2.683 7.758 ( 0.000 0.000 3.762) 3.762 7.850 ( 0.000 0.000 -7.707) 7.707 7.970 ( 0.000 0.000 -6.367) 6.367 8.053 ( 0.000 0.000 0.084) 0.084 8.127 ( 0.000 0.000 -3.802) 3.802 8.154 ( 0.000 0.000 0.296) 0.296 8.216 ( 0.000 0.000 -11.280) 11.280 8.295 ( 0.000 0.000 -6.219) 6.219 8.395 ( 0.000 0.000 4.860) 4.860 8.505 ( 0.000 0.000 -0.932) 0.932 8.548 ( 0.000 0.000 -2.838) 2.838 8.553 ( 0.000 0.000 -2.490) 2.490 8.717 ( 0.000 0.000 -4.814) 4.814 8.749 ( 0.000 0.000 -2.185) 2.185 8.842 ( 0.000 0.000 0.505) 0.505 9.029 ( 0.000 0.000 -2.557) 2.557 9.099 ( 0.000 0.000 -1.077) 1.077 9.260 ( 0.000 0.000 -9.481) 9.481 9.419 ( 0.000 0.000 -8.046) 8.046 9.738 ( 0.000 0.000 6.272) 6.272 9.761 ( 0.000 0.000 4.376) 4.376 9.818 ( 0.000 0.000 1.196) 1.196 9.907 ( 0.000 0.000 2.556) 2.556 9.960 ( 0.000 0.000 8.508) 8.508 10.122 ( 0.000 0.000 5.178) 5.178 10.279 ( 0.000 0.000 0.803) 0.803 10.530 ( 0.000 0.000 1.584) 1.584 10.553 ( 0.000 0.000 -2.677) 2.677 10.581 ( 0.000 0.000 7.173) 7.173 10.619 ( 0.000 0.000 -0.803) 0.803 10.622 ( 0.000 0.000 3.870) 3.870 10.709 ( 0.000 0.000 1.598) 1.598 10.931 ( 0.000 0.000 -2.234) 2.234 11.107 ( 0.000 0.000 4.756) 4.756 11.237 ( 0.000 0.000 -6.361) 6.361 11.269 ( 0.000 0.000 5.518) 5.518 11.322 ( 0.000 0.000 -3.939) 3.939 11.436 ( 0.000 0.000 0.003) 0.003 11.491 ( 0.000 0.000 4.905) 4.905 12.573 ( 0.000 0.000 1.889) 1.889 12.706 ( 0.000 0.000 1.481) 1.481 12.771 ( 0.000 0.000 -1.536) 1.536 12.816 ( 0.000 0.000 2.453) 2.453 13.016 ( 0.000 0.000 2.622) 2.622 13.033 ( 0.000 0.000 1.395) 1.395 13.269 ( 0.000 0.000 -2.317) 2.317 13.318 ( 0.000 0.000 -1.729) 1.729 13.553 ( 0.000 0.000 0.512) 0.512 13.569 ( 0.000 0.000 -0.143) 0.143 13.586 ( 0.000 0.000 2.956) 2.956 13.770 ( 0.000 0.000 7.769) 7.769 13.792 ( 0.000 0.000 3.045) 3.045 13.986 ( 0.000 0.000 5.256) 5.256 14.017 ( 0.000 0.000 3.505) 3.505 14.321 ( 0.000 0.000 -11.710) 11.710 14.589 ( 0.000 0.000 -2.993) 2.993 14.593 ( 0.000 0.000 -7.321) 7.321 14.683 ( 0.000 0.000 -4.392) 4.392 14.798 ( 0.000 0.000 2.770) 2.770 14.865 ( 0.000 0.000 -6.617) 6.617 14.940 ( 0.000 0.000 -8.423) 8.423 14.958 ( 0.000 0.000 -5.850) 5.850 15.246 ( 0.000 0.000 -9.882) 9.882 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 26.693 0.000 24.153) 35.998 1.869 ( 8.529 0.000 23.584) 25.079 2.138 ( 13.926 0.000 3.584) 14.380 2.449 ( -7.124 0.000 3.542) 7.955 2.763 ( 0.637 0.000 10.344) 10.363 2.875 ( 2.165 0.000 6.686) 7.028 2.888 ( 3.684 0.000 7.761) 8.591 2.980 ( -3.598 0.000 9.897) 10.531 3.031 ( 3.862 0.000 26.785) 27.062 3.219 ( -3.015 0.000 1.484) 3.361 3.505 ( -13.159 0.000 7.972) 15.385 3.566 ( 5.094 0.000 7.286) 8.890 3.748 ( -25.021 0.000 14.696) 29.018 4.098 ( 9.616 0.000 -2.584) 9.957 4.290 ( 15.601 0.000 21.939) 26.920 4.545 ( -2.489 0.000 9.668) 9.983 4.550 ( 12.811 0.000 6.343) 14.295 4.739 ( 1.216 0.000 8.743) 8.827 4.747 ( 7.221 0.000 1.125) 7.308 4.874 ( 5.659 0.000 6.618) 8.708 4.974 ( -1.330 0.000 4.606) 4.794 4.995 ( -11.720 0.000 2.375) 11.958 5.113 ( -5.719 0.000 11.929) 13.229 5.159 ( -0.640 0.000 -1.965) 2.066 5.291 ( -4.885 0.000 10.813) 11.865 5.421 ( -10.710 0.000 -3.835) 11.376 5.435 ( -4.010 0.000 -2.056) 4.507 5.570 ( -14.405 0.000 12.041) 18.775 5.714 ( -6.525 0.000 5.221) 8.357 5.739 ( -1.532 0.000 -1.943) 2.474 5.912 ( 2.940 0.000 -13.413) 13.731 5.938 ( -2.233 0.000 3.414) 4.080 5.983 ( 0.073 0.000 -0.238) 0.249 6.034 ( 3.641 0.000 3.954) 5.375 6.056 ( -2.210 0.000 -3.187) 3.878 6.108 ( 7.184 0.000 -0.165) 7.186 6.318 ( 1.515 0.000 -1.448) 2.096 6.381 ( -5.312 0.000 -8.115) 9.699 6.423 ( 2.655 0.000 -10.390) 10.724 6.462 ( -0.673 0.000 -1.246) 1.416 6.572 ( 10.729 0.000 -1.430) 10.824 6.605 ( 8.024 0.000 -4.524) 9.212 6.656 ( -1.524 0.000 2.168) 2.650 6.657 ( 4.781 0.000 -2.026) 5.192 6.810 ( -3.784 0.000 -1.764) 4.175 6.856 ( -4.817 0.000 -0.789) 4.881 6.928 ( -2.772 0.000 -3.840) 4.736 6.956 ( -2.052 0.000 0.089) 2.054 7.101 ( -7.234 0.000 2.761) 7.743 7.170 ( -1.367 0.000 -4.110) 4.331 7.190 ( 19.809 0.000 10.481) 22.411 7.299 ( 7.777 0.000 -7.684) 10.933 7.319 ( 3.363 0.000 -7.765) 8.462 7.369 ( -4.061 0.000 -2.001) 4.527 7.494 ( 9.660 0.000 -2.764) 10.048 7.515 ( -3.783 0.000 3.913) 5.443 7.581 ( -11.716 0.000 5.251) 12.839 7.649 ( -1.459 0.000 1.844) 2.352 7.823 ( -2.947 0.000 -7.370) 7.937 7.982 ( -1.074 0.000 -11.642) 11.691 8.093 ( -3.386 0.000 -8.222) 8.892 8.093 ( -6.643 0.000 -0.889) 6.703 8.160 ( 9.108 0.000 4.329) 10.084 8.270 ( 4.296 0.000 -5.859) 7.265 8.313 ( 1.799 0.000 -5.136) 5.442 8.431 ( 3.957 0.000 3.200) 5.089 8.466 ( -2.987 0.000 -2.300) 3.770 8.579 ( 2.323 0.000 1.464) 2.746 8.585 ( 2.794 0.000 -0.881) 2.929 8.680 ( -2.275 0.000 -4.720) 5.240 8.777 ( 1.380 0.000 -2.226) 2.620 8.824 ( -2.997 0.000 3.942) 4.952 9.022 ( -0.499 0.000 -1.582) 1.659 9.095 ( -0.592 0.000 -0.555) 0.812 9.204 ( -3.605 0.000 -8.126) 8.889 9.356 ( -5.202 0.000 -9.602) 10.920 9.742 ( 1.548 0.000 5.008) 5.242 9.819 ( 3.094 0.000 5.540) 6.345 9.826 ( 0.841 0.000 1.046) 1.342 9.898 ( -0.908 0.000 2.331) 2.501 9.957 ( 0.075 0.000 6.935) 6.935 10.097 ( -2.543 0.000 5.613) 6.162 10.279 ( 0.229 0.000 1.219) 1.240 10.458 ( -5.663 0.000 1.991) 6.003 10.558 ( -0.495 0.000 3.975) 4.005 10.594 ( 3.508 0.000 -2.706) 4.430 10.602 ( -0.762 0.000 3.912) 3.986 10.723 ( 7.467 0.000 1.667) 7.651 10.738 ( 1.469 0.000 0.651) 1.606 10.953 ( 2.812 0.000 -2.157) 3.544 11.100 ( -2.120 0.000 1.796) 2.779 11.246 ( 1.881 0.000 -2.749) 3.331 11.269 ( -3.764 0.000 -1.748) 4.150 11.297 ( 1.243 0.000 2.858) 3.117 11.428 ( -1.049 0.000 0.294) 1.090 11.456 ( -3.382 0.000 4.958) 6.001 12.596 ( 2.461 0.000 2.140) 3.261 12.711 ( 0.584 0.000 1.210) 1.343 12.764 ( -0.771 0.000 -1.216) 1.440 12.796 ( -2.317 0.000 2.481) 3.395 13.014 ( -0.158 0.000 2.436) 2.441 13.023 ( -0.745 0.000 1.667) 1.826 13.275 ( 0.592 0.000 -2.250) 2.327 13.314 ( -0.384 0.000 -1.766) 1.807 13.554 ( 0.103 0.000 0.429) 0.441 13.566 ( -0.283 0.000 -0.150) 0.321 13.626 ( 3.799 0.000 3.650) 5.268 13.772 ( -0.021 0.000 8.316) 8.316 13.794 ( 0.249 0.000 3.204) 3.213 13.895 ( -4.341 0.000 4.813) 6.482 14.167 ( 10.447 0.000 3.711) 11.086 14.327 ( 0.722 0.000 -12.241) 12.262 14.498 ( -5.251 0.000 -5.587) 7.667 14.667 ( 3.832 0.000 -7.321) 8.263 14.691 ( -0.945 0.000 -1.694) 1.940 14.760 ( -2.241 0.000 -0.111) 2.244 14.859 ( -1.765 0.000 -7.490) 7.695 14.936 ( -2.445 0.000 -5.567) 6.080 14.959 ( 3.186 0.000 -7.757) 8.386 15.225 ( -2.504 0.000 -9.339) 9.668 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 11.627 0.000 8.025) 14.128 2.259 ( 30.486 0.000 21.323) 37.203 2.264 ( -9.883 0.000 4.703) 10.945 2.471 ( 17.281 0.000 10.920) 20.442 2.710 ( -7.493 0.000 7.364) 10.506 2.754 ( -21.992 0.000 19.785) 29.582 2.977 ( 5.708 0.000 5.516) 7.938 2.979 ( 10.398 0.000 12.950) 16.608 3.070 ( -2.356 0.000 6.914) 7.304 3.177 ( 0.301 0.000 -5.576) 5.584 3.246 ( -7.081 0.000 -11.965) 13.904 3.289 ( -23.192 0.000 17.819) 29.247 3.924 ( 26.732 0.000 27.246) 38.170 4.355 ( 16.820 0.000 -3.413) 17.163 4.407 ( -18.872 0.000 19.073) 26.832 4.525 ( 9.992 0.000 20.006) 22.362 4.631 ( -9.640 0.000 -0.579) 9.657 4.704 ( -13.942 0.000 12.862) 18.969 4.788 ( 7.433 0.000 7.558) 10.601 4.876 ( 0.838 0.000 3.771) 3.864 4.879 ( 6.756 0.000 4.044) 7.874 4.975 ( -4.649 0.000 7.771) 9.055 5.001 ( -5.797 0.000 11.168) 12.583 5.036 ( -11.549 0.000 11.762) 16.485 5.207 ( 3.629 0.000 3.695) 5.180 5.312 ( -6.385 0.000 5.530) 8.447 5.362 ( 7.176 0.000 1.554) 7.343 5.551 ( -10.828 0.000 4.563) 11.750 5.564 ( 5.579 0.000 -8.708) 10.342 5.677 ( -5.673 0.000 -8.424) 10.156 5.927 ( 1.870 0.000 5.566) 5.872 5.965 ( 2.735 0.000 -9.341) 9.733 5.986 ( -3.766 0.000 2.850) 4.723 5.994 ( -0.031 0.000 -7.055) 7.055 6.191 ( 9.203 0.000 -0.692) 9.229 6.223 ( 4.373 0.000 1.416) 4.597 6.288 ( -4.108 0.000 -3.216) 5.218 6.314 ( -3.176 0.000 -0.498) 3.214 6.435 ( 1.205 0.000 -1.124) 1.648 6.495 ( 6.061 0.000 -6.586) 8.951 6.531 ( -7.825 0.000 0.281) 7.830 6.630 ( -7.414 0.000 -4.000) 8.425 6.729 ( 5.708 0.000 -3.162) 6.526 6.799 ( 5.740 0.000 -5.528) 7.970 6.818 ( -2.232 0.000 -3.667) 4.293 6.835 ( 4.528 0.000 2.614) 5.228 6.906 ( -2.004 0.000 -4.164) 4.621 6.941 ( 9.667 0.000 -2.023) 9.876 6.997 ( -5.439 0.000 4.447) 7.025 7.126 ( -5.634 0.000 -6.096) 8.300 7.261 ( -3.255 0.000 -2.631) 4.185 7.328 ( -9.316 0.000 -0.823) 9.353 7.419 ( 5.249 0.000 -2.785) 5.942 7.442 ( 8.040 0.000 -3.898) 8.935 7.499 ( -3.205 0.000 2.893) 4.318 7.528 ( 13.176 0.000 2.143) 13.349 7.584 ( -3.402 0.000 1.591) 3.756 7.686 ( 9.888 0.000 -1.929) 10.074 7.741 ( -5.163 0.000 -5.661) 7.662 7.920 ( -11.965 0.000 -1.427) 12.050 7.977 ( 1.122 0.000 -13.003) 13.051 8.024 ( -3.677 0.000 -11.470) 12.045 8.291 ( 4.561 0.000 2.749) 5.325 8.323 ( 0.853 0.000 -0.689) 1.096 8.355 ( 2.744 0.000 -3.665) 4.579 8.410 ( -3.163 0.000 -2.704) 4.161 8.521 ( 5.050 0.000 0.731) 5.102 8.593 ( -2.623 0.000 0.682) 2.711 8.632 ( 3.909 0.000 6.613) 7.682 8.692 ( 4.031 0.000 -4.412) 5.977 8.728 ( -6.338 0.000 8.707) 10.770 8.767 ( -2.917 0.000 -2.326) 3.731 9.031 ( 1.742 0.000 0.325) 1.772 9.071 ( -2.073 0.000 0.494) 2.131 9.197 ( 2.496 0.000 -10.831) 11.115 9.265 ( -4.571 0.000 -11.431) 12.311 9.783 ( 2.722 0.000 5.427) 6.072 9.829 ( -1.774 0.000 6.504) 6.741 9.848 ( 1.440 0.000 1.111) 1.819 9.875 ( -1.520 0.000 1.709) 2.287 9.983 ( 2.769 0.000 5.336) 6.011 10.041 ( -3.356 0.000 5.881) 6.771 10.298 ( 2.098 0.000 1.872) 2.812 10.359 ( -4.656 0.000 2.261) 5.176 10.565 ( 0.935 0.000 3.460) 3.584 10.585 ( -1.107 0.000 3.637) 3.802 10.668 ( 4.185 0.000 -2.320) 4.785 10.730 ( -2.246 0.000 -1.051) 2.479 10.869 ( 8.286 0.000 1.499) 8.420 11.012 ( -6.951 0.000 0.546) 6.972 11.038 ( 6.220 0.000 -2.239) 6.611 11.162 ( -6.910 0.000 -2.881) 7.487 11.308 ( 4.229 0.000 1.301) 4.425 11.344 ( 3.017 0.000 2.942) 4.214 11.385 ( -4.151 0.000 3.545) 5.459 11.395 ( -2.432 0.000 1.359) 2.786 12.657 ( 4.101 0.000 2.456) 4.780 12.726 ( 1.005 0.000 0.493) 1.119 12.735 ( -4.137 0.000 2.550) 4.860 12.746 ( -1.119 0.000 -0.425) 1.197 13.012 ( -0.055 0.000 2.041) 2.042 13.014 ( -0.288 0.000 2.024) 2.045 13.289 ( 0.879 0.000 -2.082) 2.260 13.304 ( -0.757 0.000 -1.892) 2.037 13.556 ( 0.172 0.000 0.197) 0.262 13.560 ( -0.274 0.000 -0.054) 0.280 13.700 ( 3.915 0.000 6.253) 7.378 13.756 ( -1.994 0.000 8.441) 8.673 13.805 ( 1.067 0.000 3.769) 3.917 13.835 ( -2.360 0.000 4.486) 5.069 14.353 ( 2.286 0.000 -12.067) 12.282 14.372 ( 11.706 0.000 3.270) 12.154 14.411 ( -4.087 0.000 -9.203) 10.070 14.574 ( -9.904 0.000 2.890) 10.317 14.736 ( 3.822 0.000 -8.731) 9.531 14.795 ( 4.112 0.000 -4.840) 6.351 14.805 ( -3.628 0.000 -8.762) 9.484 14.874 ( -4.184 0.000 -5.185) 6.663 15.049 ( 5.914 0.000 -7.281) 9.380 15.154 ( -5.202 0.000 -8.123) 9.646 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.000 11.552 21.667) 24.554 1.936 ( 0.000 15.002 32.950) 36.205 1.994 ( 0.000 -0.043 -9.512) 9.512 2.494 ( 0.000 -2.038 4.368) 4.820 2.545 ( 0.000 -18.059 3.815) 18.458 2.672 ( 0.000 -8.685 10.657) 13.747 3.000 ( 0.000 -0.877 3.779) 3.880 3.012 ( 0.000 2.196 -0.083) 2.198 3.157 ( 0.000 5.819 13.963) 15.127 3.347 ( 0.000 -6.179 -14.258) 15.540 3.362 ( 0.000 23.770 40.499) 46.960 3.943 ( 0.000 7.984 19.807) 21.356 3.971 ( 0.000 -5.104 16.134) 16.922 4.016 ( 0.000 0.591 -1.278) 1.408 4.162 ( 0.000 -1.428 10.129) 10.230 4.277 ( 0.000 3.400 15.009) 15.389 4.468 ( 0.000 -11.311 9.578) 14.821 4.510 ( 0.000 -8.029 9.466) 12.413 4.646 ( 0.000 -8.320 3.974) 9.221 4.913 ( 0.000 -8.173 1.367) 8.286 4.926 ( 0.000 7.111 6.517) 9.646 5.022 ( 0.000 -5.893 -2.040) 6.236 5.049 ( 0.000 -7.905 8.053) 11.284 5.252 ( 0.000 5.053 3.662) 6.241 5.306 ( 0.000 4.180 12.601) 13.276 5.431 ( 0.000 -1.239 -1.462) 1.916 5.654 ( 0.000 3.703 -0.885) 3.807 5.745 ( 0.000 -2.157 -1.768) 2.789 5.818 ( 0.000 4.200 2.712) 4.999 5.883 ( 0.000 2.422 -8.799) 9.126 5.946 ( 0.000 7.911 -1.525) 8.057 5.968 ( 0.000 -4.535 -3.177) 5.537 6.009 ( 0.000 1.290 -4.357) 4.544 6.064 ( 0.000 -5.166 -4.290) 6.715 6.091 ( 0.000 12.689 5.156) 13.696 6.129 ( 0.000 -1.078 2.014) 2.284 6.209 ( 0.000 6.330 1.799) 6.581 6.310 ( 0.000 -0.636 -0.775) 1.002 6.396 ( 0.000 -10.290 1.492) 10.398 6.474 ( 0.000 4.730 -5.746) 7.442 6.492 ( 0.000 -1.454 -2.509) 2.900 6.538 ( 0.000 -3.241 0.845) 3.350 6.546 ( 0.000 5.579 -5.249) 7.660 6.766 ( 0.000 4.206 2.640) 4.966 6.817 ( 0.000 -8.703 3.703) 9.458 6.864 ( 0.000 0.647 -5.905) 5.940 6.885 ( 0.000 -2.660 -2.016) 3.338 6.956 ( 0.000 1.556 1.362) 2.067 7.064 ( 0.000 4.647 -1.133) 4.783 7.227 ( 0.000 1.969 -2.149) 2.915 7.228 ( 0.000 3.911 -4.646) 6.073 7.236 ( 0.000 4.337 -2.841) 5.184 7.317 ( 0.000 2.014 -8.339) 8.579 7.368 ( 0.000 0.044 0.071) 0.083 7.472 ( 0.000 2.675 -2.841) 3.902 7.554 ( 0.000 0.146 6.023) 6.025 7.606 ( 0.000 -1.752 4.838) 5.146 7.776 ( 0.000 -5.764 -8.685) 10.423 7.779 ( 0.000 1.141 3.075) 3.280 8.005 ( 0.000 1.578 -8.206) 8.357 8.032 ( 0.000 -5.738 -0.460) 5.757 8.045 ( 0.000 -0.280 3.760) 3.771 8.168 ( 0.000 -4.923 -10.373) 11.482 8.182 ( 0.000 -0.539 -1.940) 2.013 8.307 ( 0.000 1.020 -5.864) 5.952 8.377 ( 0.000 -0.047 3.056) 3.056 8.478 ( 0.000 -2.969 -1.689) 3.416 8.558 ( 0.000 3.174 -0.144) 3.177 8.619 ( 0.000 1.544 -3.656) 3.969 8.671 ( 0.000 -4.198 -3.876) 5.713 8.765 ( 0.000 2.217 -0.834) 2.368 8.839 ( 0.000 0.349 0.827) 0.898 9.034 ( 0.000 0.100 -2.604) 2.606 9.089 ( 0.000 -1.102 -1.098) 1.555 9.249 ( 0.000 -0.268 -7.935) 7.939 9.412 ( 0.000 -0.865 -7.983) 8.030 9.756 ( 0.000 1.945 6.237) 6.533 9.763 ( 0.000 0.579 3.328) 3.378 9.842 ( 0.000 2.141 3.576) 4.168 9.929 ( 0.000 1.686 2.588) 3.089 10.005 ( 0.000 4.517 6.691) 8.073 10.096 ( 0.000 -1.903 5.877) 6.177 10.306 ( 0.000 1.730 2.142) 2.754 10.468 ( 0.000 -9.084 2.326) 9.377 10.521 ( 0.000 -1.318 1.550) 2.035 10.525 ( 0.000 -3.774 5.968) 7.061 10.594 ( 0.000 -0.059 2.184) 2.185 10.616 ( 0.000 -0.430 0.040) 0.432 10.767 ( 0.000 3.362 -0.121) 3.364 10.973 ( 0.000 2.521 -0.717) 2.621 11.005 ( 0.000 -8.059 8.921) 12.023 11.220 ( 0.000 -5.409 4.680) 7.153 11.256 ( 0.000 1.809 -6.067) 6.331 11.311 ( 0.000 -0.655 -3.808) 3.864 11.322 ( 0.000 -7.284 5.141) 8.916 11.499 ( 0.000 -0.042 0.435) 0.437 12.572 ( 0.000 0.760 2.415) 2.532 12.702 ( 0.000 -0.386 1.787) 1.828 12.805 ( 0.000 3.283 -1.310) 3.535 12.842 ( 0.000 2.478 2.065) 3.226 13.061 ( 0.000 3.509 1.546) 3.835 13.071 ( 0.000 5.754 2.212) 6.164 13.345 ( 0.000 2.624 -1.371) 2.960 13.381 ( 0.000 6.841 -3.432) 7.653 13.548 ( 0.000 -1.386 1.836) 2.300 13.560 ( 0.000 0.944 0.371) 1.015 13.615 ( 0.000 2.379 0.701) 2.481 13.728 ( 0.000 -3.997 6.585) 7.703 13.752 ( 0.000 -3.773 3.094) 4.879 13.963 ( 0.000 -2.245 5.178) 5.644 13.972 ( 0.000 -4.295 1.898) 4.696 14.310 ( 0.000 -4.545 -9.024) 10.104 14.580 ( 0.000 -0.553 -8.884) 8.902 14.585 ( 0.000 -0.447 -6.889) 6.904 14.711 ( 0.000 2.427 -4.800) 5.379 14.775 ( 0.000 2.032 -1.562) 2.564 14.934 ( 0.000 1.717 -8.587) 8.757 14.968 ( 0.000 0.998 -6.531) 6.607 14.998 ( 0.000 7.266 -5.328) 9.011 15.250 ( 0.000 0.257 -9.691) 9.694 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.20 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 20.757 5.383 16.049) 26.784 1.943 ( 5.098 6.827 11.898) 14.634 2.163 ( 13.018 4.309 11.429) 17.851 2.435 ( -5.234 -0.416 5.437) 7.559 2.564 ( 1.778 -16.161 2.694) 16.480 2.655 ( -0.747 -10.156 11.085) 15.052 2.916 ( -4.247 -5.613 5.018) 8.644 3.058 ( -3.057 1.238 7.477) 8.172 3.176 ( -0.166 5.347 4.198) 6.800 3.261 ( 1.856 5.030 -6.685) 8.569 3.556 ( -4.192 11.644 28.002) 30.614 3.586 ( -7.759 9.112 20.873) 24.061 3.873 ( -9.250 4.981 8.132) 13.285 4.129 ( 9.704 -0.148 4.066) 10.522 4.265 ( 6.898 -1.306 14.072) 15.726 4.425 ( 3.470 -6.601 12.131) 14.240 4.437 ( 9.627 -9.710 11.096) 17.609 4.628 ( 0.715 -9.708 5.932) 11.399 4.660 ( 4.349 -11.049 9.200) 15.021 4.858 ( -5.003 -4.379 1.063) 6.733 4.961 ( -1.219 1.089 4.228) 4.533 5.008 ( 0.680 1.059 8.968) 9.056 5.046 ( 1.480 -3.386 2.947) 4.727 5.178 ( -5.787 4.822 6.157) 9.729 5.289 ( -5.711 2.008 5.318) 8.058 5.445 ( 1.092 2.649 2.094) 3.549 5.566 ( -8.615 6.857 -0.212) 11.013 5.596 ( -16.654 3.394 10.235) 19.840 5.809 ( 0.080 1.060 2.363) 2.592 5.853 ( -1.856 -3.427 -3.745) 5.405 5.887 ( -1.444 0.749 -7.810) 7.978 5.955 ( -3.992 11.421 -6.249) 13.617 6.012 ( -1.299 -0.992 -1.997) 2.580 6.032 ( 1.854 4.143 1.446) 4.764 6.090 ( 2.984 4.610 5.135) 7.519 6.140 ( 2.928 4.110 -4.370) 6.675 6.213 ( 3.174 -7.408 -0.734) 8.093 6.354 ( -4.535 -5.996 -1.752) 7.719 6.383 ( -1.080 -2.671 -5.227) 5.968 6.467 ( 0.850 -1.941 -3.684) 4.250 6.527 ( 6.146 2.381 -6.517) 9.269 6.616 ( 6.486 -0.368 -1.792) 6.739 6.644 ( 6.576 1.969 -0.573) 6.888 6.727 ( -3.169 -6.864 3.389) 8.285 6.773 ( 1.592 3.727 -4.769) 6.259 6.891 ( -4.971 3.320 -1.783) 6.238 6.912 ( 2.155 1.262 -4.391) 5.051 6.984 ( -4.385 3.334 -0.216) 5.512 7.121 ( 10.112 -3.263 1.538) 10.736 7.190 ( -3.843 4.898 -2.843) 6.845 7.218 ( 2.548 -3.935 -3.810) 6.041 7.272 ( 1.519 7.181 3.183) 8.000 7.323 ( 2.376 -1.233 -2.935) 3.972 7.419 ( 2.832 3.332 -3.888) 5.852 7.472 ( 2.659 0.476 0.074) 2.702 7.518 ( -6.052 -1.056 1.208) 6.261 7.617 ( -1.025 -1.750 0.418) 2.070 7.642 ( -5.259 2.745 1.345) 6.083 7.780 ( -0.867 -3.723 -6.533) 7.569 7.964 ( -1.845 -1.734 -7.973) 8.366 8.041 ( -1.596 -2.135 -3.448) 4.358 8.104 ( -5.484 -1.773 -6.233) 8.490 8.154 ( 7.263 -0.776 3.518) 8.107 8.239 ( 3.704 -2.773 -4.571) 6.504 8.322 ( 2.131 0.987 -4.065) 4.695 8.406 ( 2.432 -2.186 0.925) 3.399 8.460 ( 0.020 0.107 -1.489) 1.493 8.594 ( 2.483 2.310 2.663) 4.312 8.643 ( 1.806 1.164 -0.959) 2.353 8.659 ( -0.687 -1.904 -5.403) 5.769 8.759 ( -0.850 0.383 -0.698) 1.165 8.830 ( -1.401 0.623 3.114) 3.471 9.017 ( -1.217 -0.618 -1.627) 2.123 9.085 ( -0.851 -1.161 -0.697) 1.599 9.216 ( -2.324 1.391 -7.861) 8.315 9.349 ( -5.368 -0.606 -9.065) 10.553 9.742 ( 0.968 0.341 5.363) 5.460 9.824 ( 1.718 0.837 5.495) 5.817 9.844 ( 1.739 1.249 1.973) 2.912 9.927 ( -0.421 2.317 2.477) 3.418 9.988 ( -1.357 3.387 5.695) 6.764 10.075 ( -2.134 -1.558 6.173) 6.714 10.304 ( 0.001 1.669 2.120) 2.698 10.460 ( -4.137 -1.435 2.415) 5.001 10.471 ( -0.316 -6.824 3.017) 7.467 10.516 ( -0.940 -4.133 6.489) 7.751 10.641 ( 4.075 1.945 -0.765) 4.579 10.689 ( 6.791 -2.015 0.058) 7.084 10.808 ( 3.063 3.953 0.057) 5.001 10.942 ( -1.584 -2.160 1.971) 3.326 11.055 ( 2.985 -3.658 4.145) 6.283 11.215 ( -0.691 -3.385 0.646) 3.515 11.245 ( -1.633 -2.156 -0.997) 2.883 11.297 ( 0.264 0.789 -2.930) 3.046 11.322 ( -0.256 -6.145 4.010) 7.342 11.477 ( -2.322 0.140 0.352) 2.352 12.597 ( 2.644 0.737 2.379) 3.632 12.713 ( 1.139 0.013 1.475) 1.864 12.794 ( -1.250 2.734 -0.818) 3.116 12.817 ( -2.628 2.293 1.895) 3.969 13.059 ( -0.076 4.055 1.626) 4.370 13.070 ( -0.173 5.666 2.160) 6.066 13.345 ( -0.066 2.882 -1.447) 3.225 13.364 ( -1.318 6.010 -2.723) 6.728 13.556 ( -0.076 0.310 0.463) 0.562 13.566 ( 0.639 0.412 0.347) 0.835 13.624 ( 1.595 -0.506 2.941) 3.384 13.723 ( -0.389 -3.867 6.722) 7.765 13.777 ( 2.067 -2.163 3.033) 4.260 13.896 ( -2.357 -0.087 5.067) 5.589 14.092 ( 7.662 -6.444 2.012) 10.211 14.300 ( -0.966 -5.520 -9.067) 10.659 14.547 ( -3.079 5.122 -7.496) 9.587 14.580 ( -0.823 -5.446 -7.631) 9.411 14.718 ( 0.802 1.871 -4.589) 5.020 14.764 ( -1.338 0.637 -3.422) 3.729 14.904 ( -1.832 1.925 -7.705) 8.150 14.969 ( -0.935 3.038 -6.064) 6.847 15.008 ( 1.780 5.373 -6.205) 8.399 15.231 ( -2.281 0.501 -9.185) 9.477 ======================= Grid point 77 (30/60) ======================= q-point: ( 0.40 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 9.936 -1.518 2.878) 10.455 2.205 ( 1.627 -3.882 5.142) 6.644 2.287 ( 13.260 -0.912 11.239) 17.406 2.450 ( 4.617 -3.636 9.242) 10.952 2.624 ( 7.549 -0.134 7.866) 10.903 2.680 ( 4.457 -13.665 12.818) 19.258 2.817 ( -7.770 -13.608 9.799) 18.481 2.890 ( -15.809 8.004 13.713) 22.406 3.132 ( -3.232 3.450 2.129) 5.185 3.179 ( -10.402 3.837 7.823) 13.569 3.396 ( 5.514 8.233 -8.058) 12.771 3.528 ( -8.701 11.050 7.382) 15.884 4.061 ( 22.682 12.904 27.056) 37.590 4.307 ( 4.140 -9.459 13.417) 16.930 4.413 ( 7.429 -0.015 0.941) 7.489 4.445 ( 5.967 -6.716 10.489) 13.810 4.558 ( -2.905 -7.117 10.902) 13.339 4.626 ( -2.945 -19.257 7.438) 20.852 4.690 ( -1.668 -2.532 16.348) 16.627 4.703 ( -12.345 -0.178 2.828) 12.666 4.840 ( -2.126 0.204 15.198) 15.347 4.986 ( -11.064 4.733 14.899) 19.152 5.061 ( 2.788 6.346 6.760) 9.682 5.120 ( -2.729 5.645 5.799) 8.541 5.181 ( 3.245 -1.922 3.012) 4.827 5.290 ( -7.649 -2.021 1.862) 8.128 5.485 ( 1.724 6.295 1.561) 6.711 5.532 ( -2.142 7.602 1.153) 7.981 5.824 ( 1.662 4.562 -2.897) 5.654 5.846 ( -0.445 -3.051 -2.461) 3.945 5.863 ( -1.013 7.378 -5.442) 9.224 5.890 ( -2.937 2.863 -7.133) 8.228 5.973 ( 0.629 -1.762 -2.045) 2.772 6.018 ( -2.598 3.389 1.003) 4.387 6.161 ( 2.662 -5.467 2.613) 6.618 6.210 ( -0.669 -5.516 2.401) 6.053 6.257 ( 3.813 3.372 -6.430) 8.200 6.326 ( -1.226 2.581 -4.567) 5.387 6.408 ( 7.636 -1.964 -2.835) 8.379 6.478 ( 2.070 -0.189 -3.440) 4.020 6.572 ( -4.360 -0.165 -3.468) 5.574 6.604 ( -9.516 -2.859 -1.850) 10.107 6.690 ( 3.836 -0.687 -0.496) 3.929 6.748 ( 2.458 -2.760 -1.808) 4.114 6.786 ( 2.040 1.661 -0.807) 2.752 6.900 ( -4.652 0.416 -3.177) 5.648 6.961 ( 10.736 4.465 -1.442) 11.716 6.985 ( 5.188 3.086 -3.818) 7.143 7.096 ( -6.113 6.388 -2.869) 9.295 7.143 ( -2.257 0.455 -4.141) 4.738 7.233 ( -1.404 -5.417 -1.690) 5.845 7.294 ( -7.402 -3.174 -2.127) 8.330 7.346 ( 2.625 -0.613 -0.453) 2.733 7.397 ( -1.035 1.029 0.888) 1.709 7.522 ( 0.410 0.335 -1.943) 2.014 7.531 ( 3.300 -1.400 -0.059) 3.585 7.600 ( 5.919 0.744 2.237) 6.371 7.702 ( 5.960 -1.477 -7.809) 9.934 7.741 ( -1.169 2.134 -1.602) 2.913 7.913 ( -9.264 -0.151 -0.039) 9.265 7.976 ( 0.278 -0.550 -10.897) 10.914 8.019 ( -3.378 -0.633 -9.734) 10.322 8.244 ( 2.803 -3.228 0.803) 4.349 8.271 ( -0.165 -3.553 -1.571) 3.888 8.384 ( 3.392 1.158 -1.023) 3.727 8.418 ( -0.564 -0.233 -1.431) 1.556 8.525 ( 5.272 0.224 0.152) 5.279 8.604 ( -2.986 0.438 -1.123) 3.220 8.648 ( 2.528 0.907 4.094) 4.897 8.690 ( 0.296 -0.965 1.873) 2.127 8.732 ( -0.318 2.274 0.244) 2.309 8.781 ( -3.565 1.375 1.686) 4.177 9.018 ( 1.467 -1.182 0.379) 1.922 9.055 ( -2.140 -1.498 0.243) 2.623 9.206 ( 1.386 0.871 -10.436) 10.564 9.259 ( -4.156 -0.546 -11.027) 11.797 9.776 ( 2.369 -0.325 5.828) 6.300 9.815 ( -1.566 -0.291 5.956) 6.165 9.889 ( 1.663 2.402 1.751) 3.406 9.911 ( -1.106 2.888 1.993) 3.679 9.984 ( 1.378 0.815 5.072) 5.318 10.027 ( -2.870 -0.935 5.962) 6.682 10.319 ( 1.926 1.554 2.229) 3.331 10.376 ( -4.182 0.976 2.273) 4.859 10.481 ( 0.858 -6.336 4.617) 7.887 10.498 ( -1.007 -5.212 6.072) 8.065 10.728 ( 4.910 3.134 -1.464) 6.006 10.786 ( 0.580 1.232 -1.025) 1.704 10.851 ( 3.716 0.704 0.833) 3.872 10.920 ( -1.979 -5.042 0.884) 5.488 11.087 ( 1.880 0.476 0.799) 2.097 11.156 ( -4.948 -0.981 -1.277) 5.203 11.257 ( 2.781 -3.978 1.891) 5.209 11.302 ( -1.775 -4.749 1.530) 5.296 11.344 ( 3.766 -0.437 0.794) 3.873 11.418 ( -3.996 0.042 0.298) 4.008 12.662 ( 4.332 0.794 2.324) 4.980 12.737 ( 0.073 0.678 1.669) 1.803 12.747 ( -2.695 1.496 1.033) 3.251 12.772 ( -1.821 2.432 -0.090) 3.039 13.060 ( 0.213 4.908 1.804) 5.233 13.065 ( -0.303 5.430 2.006) 5.797 13.344 ( -0.032 3.578 -1.653) 3.942 13.347 ( -0.511 4.679 -2.011) 5.118 13.557 ( 0.175 0.162 0.189) 0.305 13.563 ( -0.507 0.564 -0.201) 0.785 13.668 ( 2.565 -3.217 5.363) 6.760 13.706 ( -1.578 -3.785 6.340) 7.551 13.821 ( 2.726 1.027 4.512) 5.371 13.865 ( -1.796 2.236 6.212) 6.843 14.219 ( 5.393 -9.428 -1.796) 11.009 14.278 ( -1.649 -8.260 -7.219) 11.093 14.507 ( -0.075 4.172 -7.192) 8.315 14.546 ( -2.992 -3.429 -5.895) 7.447 14.729 ( 0.287 0.984 -5.791) 5.881 14.739 ( -0.957 -0.931 -7.040) 7.165 14.894 ( 1.068 4.450 -6.519) 7.965 14.933 ( -2.621 4.387 -5.754) 7.695 15.072 ( 4.911 2.380 -6.842) 8.752 15.165 ( -4.780 1.083 -7.889) 9.287 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.000 5.558 2.460) 6.078 2.057 ( 0.000 7.072 -3.868) 8.060 2.104 ( 0.000 -11.276 3.128) 11.701 2.380 ( 0.000 7.820 9.911) 12.625 2.475 ( 0.000 -4.376 9.340) 10.314 2.497 ( 0.000 3.549 7.981) 8.734 2.848 ( 0.000 -11.502 4.895) 12.500 3.052 ( 0.000 -0.944 -5.040) 5.128 3.274 ( 0.000 2.236 -4.025) 4.605 3.275 ( 0.000 7.012 -0.503) 7.030 3.676 ( 0.000 -17.916 18.138) 25.494 3.925 ( 0.000 13.087 29.201) 31.999 4.067 ( 0.000 -5.949 16.960) 17.973 4.133 ( 0.000 7.924 13.568) 15.712 4.137 ( 0.000 11.662 20.570) 23.646 4.250 ( 0.000 6.684 3.025) 7.336 4.401 ( 0.000 -2.702 10.021) 10.379 4.440 ( 0.000 4.556 19.287) 19.818 4.521 ( 0.000 -0.533 3.858) 3.894 4.731 ( 0.000 -10.945 1.055) 10.995 4.804 ( 0.000 -13.587 15.083) 20.300 5.045 ( 0.000 7.223 3.181) 7.892 5.056 ( 0.000 2.790 2.842) 3.983 5.323 ( 0.000 1.813 4.445) 4.800 5.367 ( 0.000 -3.728 3.192) 4.908 5.431 ( 0.000 6.366 8.861) 10.911 5.554 ( 0.000 -19.725 0.995) 19.750 5.672 ( 0.000 1.419 -2.846) 3.180 5.800 ( 0.000 -15.420 0.353) 15.424 5.854 ( 0.000 0.603 -4.639) 4.678 5.890 ( 0.000 -2.066 -3.643) 4.188 5.946 ( 0.000 -2.876 1.650) 3.316 6.015 ( 0.000 1.312 1.239) 1.805 6.054 ( 0.000 -8.433 -5.109) 9.860 6.100 ( 0.000 7.664 -6.239) 9.882 6.312 ( 0.000 6.371 -3.908) 7.474 6.360 ( 0.000 1.323 -0.004) 1.323 6.374 ( 0.000 9.128 -0.801) 9.163 6.398 ( 0.000 9.344 -0.825) 9.381 6.426 ( 0.000 -8.345 -2.412) 8.687 6.448 ( 0.000 1.782 0.903) 1.998 6.541 ( 0.000 1.883 -2.076) 2.803 6.669 ( 0.000 6.584 -3.324) 7.376 6.748 ( 0.000 3.947 6.436) 7.550 6.827 ( 0.000 -1.615 -4.359) 4.649 6.834 ( 0.000 1.675 -6.716) 6.922 6.932 ( 0.000 6.720 -5.903) 8.944 7.019 ( 0.000 4.383 -4.468) 6.259 7.150 ( 0.000 2.171 -5.607) 6.012 7.275 ( 0.000 2.464 -2.953) 3.846 7.287 ( 0.000 -1.845 0.331) 1.874 7.310 ( 0.000 -3.589 0.619) 3.642 7.314 ( 0.000 1.745 2.257) 2.853 7.355 ( 0.000 4.577 -2.085) 5.029 7.424 ( 0.000 -5.612 -1.734) 5.874 7.523 ( 0.000 -2.711 4.049) 4.872 7.676 ( 0.000 5.846 -5.828) 8.255 7.681 ( 0.000 -3.377 -7.768) 8.471 7.780 ( 0.000 -0.977 2.227) 2.432 7.969 ( 0.000 -0.025 4.904) 4.904 7.995 ( 0.000 -3.345 -5.072) 6.075 8.046 ( 0.000 -1.621 0.939) 1.873 8.062 ( 0.000 -3.009 -5.172) 5.984 8.141 ( 0.000 -3.266 -3.057) 4.473 8.339 ( 0.000 2.715 -1.737) 3.223 8.400 ( 0.000 1.965 -0.384) 2.002 8.439 ( 0.000 -1.439 0.418) 1.498 8.548 ( 0.000 -6.403 -2.081) 6.733 8.584 ( 0.000 0.113 -2.654) 2.657 8.626 ( 0.000 -2.061 -5.973) 6.319 8.835 ( 0.000 4.578 2.121) 5.045 8.872 ( 0.000 2.707 2.082) 3.415 9.024 ( 0.000 -1.042 -2.717) 2.910 9.057 ( 0.000 -2.200 -1.481) 2.652 9.272 ( 0.000 2.629 -6.706) 7.203 9.384 ( 0.000 -2.195 -7.668) 7.976 9.791 ( 0.000 2.554 3.876) 4.642 9.812 ( 0.000 3.906 5.973) 7.137 9.885 ( 0.000 2.107 5.223) 5.632 9.931 ( 0.000 -2.041 5.065) 5.461 10.075 ( 0.000 -0.600 5.137) 5.172 10.087 ( 0.000 1.923 4.187) 4.608 10.316 ( 0.000 0.135 6.252) 6.253 10.325 ( 0.000 -3.393 6.219) 7.085 10.454 ( 0.000 -4.204 5.154) 6.651 10.479 ( 0.000 -3.707 3.738) 5.265 10.605 ( 0.000 1.576 3.483) 3.823 10.606 ( 0.000 0.594 0.797) 0.994 10.805 ( 0.000 0.511 -4.259) 4.290 10.907 ( 0.000 -3.469 2.741) 4.421 11.012 ( 0.000 2.704 3.336) 4.294 11.110 ( 0.000 -3.875 4.776) 6.151 11.211 ( 0.000 -5.149 5.240) 7.346 11.233 ( 0.000 -3.734 -1.815) 4.152 11.359 ( 0.000 4.645 -6.188) 7.738 11.484 ( 0.000 -1.598 -2.863) 3.279 12.606 ( 0.000 2.516 2.453) 3.514 12.688 ( 0.000 -1.235 2.242) 2.559 12.874 ( 0.000 3.443 -0.879) 3.553 12.892 ( 0.000 2.364 1.065) 2.593 13.157 ( 0.000 6.350 1.703) 6.575 13.211 ( 0.000 8.090 1.350) 8.202 13.392 ( 0.000 1.695 -0.043) 1.696 13.449 ( 0.000 1.380 -0.546) 1.484 13.518 ( 0.000 -1.992 2.368) 3.094 13.567 ( 0.000 -1.960 1.937) 2.756 13.651 ( 0.000 -2.977 3.829) 4.850 13.677 ( 0.000 -3.335 1.596) 3.697 13.684 ( 0.000 5.299 0.193) 5.303 13.879 ( 0.000 -5.036 -0.161) 5.038 13.921 ( 0.000 -1.538 3.714) 4.019 14.141 ( 0.000 -11.468 -2.387) 11.713 14.580 ( 0.000 0.311 -10.513) 10.518 14.583 ( 0.000 0.077 -6.908) 6.908 14.758 ( 0.000 2.406 -5.156) 5.690 14.810 ( 0.000 0.377 -5.494) 5.506 14.976 ( 0.000 2.442 -10.133) 10.423 14.990 ( 0.000 1.168 -8.132) 8.216 15.130 ( 0.000 6.114 -7.546) 9.712 15.248 ( 0.000 -0.706 -9.341) 9.367 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.20 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 8.776 1.103 -0.991) 8.900 2.088 ( 4.490 7.433 1.292) 8.779 2.140 ( 3.222 -12.358 1.111) 12.820 2.405 ( -1.585 -1.183 6.636) 6.925 2.452 ( -1.874 -6.419 3.788) 7.686 2.542 ( 7.949 13.312 13.693) 20.686 2.763 ( -5.970 -10.042 3.102) 12.088 3.110 ( 0.352 7.659 5.304) 9.323 3.220 ( -1.542 -0.264 -7.228) 7.396 3.295 ( 2.797 0.808 0.463) 2.948 3.674 ( -2.739 -9.736 16.479) 19.335 3.777 ( -20.560 10.126 15.772) 27.821 3.966 ( 2.384 -9.424 18.684) 21.062 4.123 ( -2.806 1.903 16.865) 17.203 4.184 ( 6.974 5.241 22.048) 23.711 4.335 ( 4.217 6.799 1.100) 8.076 4.367 ( -7.604 -10.492 10.464) 16.656 4.511 ( 11.457 6.938 17.696) 22.193 4.555 ( 5.310 1.470 15.827) 16.759 4.718 ( -0.949 -9.231 -0.098) 9.280 4.946 ( 10.787 -4.333 9.599) 15.076 5.052 ( -0.621 8.701 3.556) 9.420 5.069 ( 2.244 2.751 6.557) 7.456 5.285 ( -3.360 3.936 3.908) 6.485 5.380 ( -4.680 7.859 5.869) 10.868 5.436 ( 4.963 -5.397 5.585) 9.217 5.559 ( -2.971 -11.964 4.664) 13.181 5.646 ( -4.101 1.292 -1.329) 4.500 5.750 ( -0.832 -1.836 -4.809) 5.215 5.806 ( -6.731 -3.838 1.559) 7.904 5.865 ( -5.329 -5.958 2.133) 8.273 5.933 ( -0.057 -2.870 -3.963) 4.894 5.964 ( 1.584 -6.664 1.238) 6.961 6.068 ( -2.138 2.040 -4.805) 5.641 6.127 ( 2.708 -1.385 -4.860) 5.733 6.247 ( -6.084 7.018 -1.763) 9.454 6.294 ( -1.384 -1.774 -2.090) 3.071 6.349 ( -3.581 9.470 3.026) 10.567 6.355 ( 2.472 7.302 -7.071) 10.460 6.520 ( 1.941 1.525 -1.631) 2.959 6.537 ( 2.824 -1.345 -5.491) 6.319 6.561 ( 3.516 -0.198 -1.053) 3.676 6.660 ( 2.560 2.064 0.983) 3.433 6.691 ( -0.012 2.028 -1.982) 2.836 6.814 ( 2.478 -0.746 -4.923) 5.562 6.917 ( 1.324 -1.073 -7.434) 7.627 6.967 ( -1.381 4.763 -4.716) 6.843 7.043 ( -8.708 1.263 0.821) 8.837 7.100 ( 3.201 1.703 -3.197) 4.834 7.200 ( -1.803 0.439 -8.363) 8.567 7.248 ( -2.473 -1.620 0.357) 2.977 7.290 ( 1.697 2.337 1.443) 3.228 7.392 ( 2.496 2.979 -1.298) 4.097 7.420 ( 2.543 -3.802 1.077) 4.699 7.471 ( 6.339 2.509 -1.811) 7.054 7.514 ( -1.228 -1.135 1.982) 2.593 7.624 ( -4.189 1.274 -0.957) 4.482 7.669 ( -6.324 0.810 -2.216) 6.749 7.725 ( 2.503 0.201 -6.397) 6.872 7.941 ( -0.484 -1.315 -2.440) 2.813 8.002 ( -2.326 -3.051 -2.136) 4.391 8.038 ( -1.965 -3.467 -4.789) 6.230 8.130 ( 5.265 -1.493 1.307) 5.626 8.194 ( 3.949 -1.711 -1.330) 4.504 8.347 ( 1.366 0.890 -0.732) 1.786 8.370 ( -0.120 -0.617 -2.259) 2.345 8.479 ( 2.107 1.572 -0.872) 2.769 8.577 ( 2.421 -4.786 -1.324) 5.525 8.616 ( 2.177 -0.485 0.330) 2.255 8.637 ( 1.889 -1.305 -4.202) 4.788 8.819 ( -1.512 4.128 0.437) 4.418 8.857 ( -1.788 2.115 3.282) 4.294 9.002 ( -1.467 -0.691 -1.921) 2.514 9.051 ( -0.982 -2.344 -0.997) 2.730 9.255 ( -1.673 2.586 -7.527) 8.133 9.335 ( -4.805 -1.011 -8.483) 9.801 9.761 ( -0.610 1.596 6.342) 6.568 9.850 ( 0.214 1.846 5.139) 5.465 9.866 ( 0.609 1.197 4.424) 4.624 9.947 ( 0.553 -0.798 3.744) 3.868 10.049 ( -1.989 1.452 4.573) 5.194 10.073 ( -1.556 1.479 4.330) 4.833 10.300 ( -0.173 -2.064 5.894) 6.247 10.361 ( 2.310 -1.274 6.277) 6.809 10.415 ( -3.520 -4.044 5.584) 7.742 10.461 ( -0.845 -2.924 4.712) 5.610 10.648 ( 4.894 0.545 2.943) 5.737 10.699 ( 6.491 2.596 -0.864) 7.044 10.844 ( 3.412 -0.443 -3.431) 4.859 10.911 ( 0.218 -1.644 4.285) 4.595 10.995 ( -1.287 -1.790 1.937) 2.935 11.128 ( 1.473 -2.923 4.085) 5.234 11.200 ( -1.556 -3.652 0.627) 4.019 11.235 ( 1.035 -3.592 2.445) 4.467 11.348 ( -1.029 4.030 -5.825) 7.158 11.464 ( -2.239 -1.533 -2.765) 3.873 12.627 ( 2.287 2.128 2.282) 3.869 12.707 ( 1.978 -0.729 2.085) 2.965 12.842 ( -3.122 2.081 0.109) 3.753 12.872 ( -2.215 2.961 0.449) 3.725 13.164 ( 0.726 6.654 1.699) 6.906 13.208 ( -0.356 8.111 1.444) 8.246 13.394 ( 0.209 1.424 -0.264) 1.463 13.428 ( -1.364 1.368 -0.184) 1.941 13.554 ( 1.721 -1.166 1.133) 2.368 13.563 ( 0.736 -2.658 3.293) 4.295 13.620 ( -2.383 1.046 -0.010) 2.602 13.662 ( -0.098 -1.693 3.727) 4.094 13.748 ( 4.520 0.619 2.193) 5.062 13.885 ( 1.125 -1.274 3.049) 3.491 13.967 ( 3.973 -5.647 1.437) 7.053 14.130 ( -1.250 -10.991 -2.411) 11.321 14.510 ( -3.251 -2.161 -10.688) 11.379 14.635 ( -0.232 3.275 -9.521) 10.071 14.753 ( -0.569 1.638 -5.993) 6.239 14.777 ( -3.013 0.484 -5.917) 6.658 14.925 ( -0.110 0.677 -8.190) 8.219 15.026 ( 0.165 2.544 -6.822) 7.283 15.115 ( -0.950 5.013 -6.982) 8.647 15.237 ( -1.616 -0.070 -8.965) 9.110 ======================= Grid point 82 (33/60) ======================= q-point: ( 0.40 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( 8.690 -2.565 -0.977) 9.113 2.123 ( -3.357 -4.876 1.993) 6.246 2.251 ( 7.284 -4.291 -0.324) 8.460 2.334 ( -3.636 -3.081 -0.271) 4.773 2.460 ( 3.434 -8.611 6.045) 11.068 2.576 ( -6.987 -6.809 6.178) 11.548 2.832 ( 14.435 10.025 6.565) 18.761 3.051 ( -6.321 9.613 8.957) 14.580 3.208 ( 1.162 6.338 1.519) 6.620 3.359 ( -11.018 14.450 18.743) 26.106 3.436 ( 2.251 -1.153 2.104) 3.290 3.588 ( -8.982 -3.972 6.657) 11.865 4.033 ( 5.991 -17.662 14.544) 23.651 4.122 ( 2.567 -6.103 17.016) 18.258 4.198 ( -7.260 -20.571 12.039) 24.916 4.239 ( -3.604 -13.201 18.487) 23.001 4.494 ( 10.333 4.261 -2.122) 11.376 4.652 ( -5.979 -2.157 -1.683) 6.576 4.710 ( 14.865 23.017 21.744) 34.980 4.773 ( 11.769 4.603 20.486) 24.071 4.975 ( -5.026 8.455 12.856) 16.187 5.087 ( -5.086 4.192 14.209) 15.663 5.137 ( 4.208 4.861 5.881) 8.713 5.217 ( 0.451 7.044 2.929) 7.642 5.271 ( -9.195 6.781 9.907) 15.122 5.325 ( -8.716 8.171 2.655) 12.239 5.522 ( 3.281 -3.895 3.292) 6.064 5.596 ( -3.238 -3.389 2.259) 5.203 5.754 ( 0.095 -4.242 -4.374) 6.094 5.762 ( -0.937 -1.474 -5.705) 5.967 5.850 ( 3.169 -5.324 -3.179) 6.964 5.911 ( -2.125 -1.916 -3.215) 4.303 5.958 ( -1.477 -5.906 3.196) 6.875 5.981 ( -2.785 -7.982 4.537) 9.594 6.170 ( 2.310 1.258 -5.147) 5.781 6.221 ( -2.196 3.265 -5.651) 6.886 6.303 ( 1.742 0.361 -1.474) 2.310 6.324 ( 1.715 0.820 -4.128) 4.544 6.430 ( 6.115 3.749 -3.169) 7.842 6.529 ( 0.155 2.827 -4.254) 5.110 6.549 ( -2.226 3.121 -3.585) 5.248 6.576 ( -6.183 0.005 -3.620) 7.165 6.673 ( 5.168 -4.862 -2.694) 7.589 6.730 ( 2.312 3.218 -1.769) 4.340 6.846 ( -2.948 1.148 -3.455) 4.685 6.878 ( -3.711 -3.337 -2.915) 5.780 6.949 ( 2.789 -0.349 -0.567) 2.867 7.015 ( -0.652 1.419 -1.418) 2.109 7.092 ( 2.904 -4.693 0.407) 5.534 7.156 ( -4.247 -1.471 -3.972) 5.998 7.193 ( 1.975 3.621 -10.429) 11.215 7.327 ( -8.744 4.416 -4.040) 10.596 7.388 ( 3.621 2.090 -0.444) 4.204 7.435 ( -0.652 -1.015 -1.938) 2.283 7.523 ( 1.253 2.832 1.554) 3.465 7.541 ( -1.669 3.671 1.710) 4.380 7.598 ( 5.516 -0.906 -0.449) 5.608 7.650 ( 0.850 -2.881 -8.734) 9.236 7.784 ( 5.081 2.046 -2.587) 6.058 7.910 ( -7.055 -1.414 -1.207) 7.296 7.954 ( 1.462 -1.171 -3.877) 4.306 7.993 ( -2.673 -2.055 -4.223) 5.404 8.194 ( 2.071 -1.880 -1.013) 2.975 8.220 ( -0.692 -1.639 -1.430) 2.283 8.391 ( 2.483 -0.752 0.078) 2.596 8.401 ( 1.641 -0.484 -1.317) 2.159 8.527 ( 3.554 0.175 -1.698) 3.943 8.585 ( -1.825 -2.224 -3.818) 4.781 8.658 ( 2.373 -0.324 5.070) 5.607 8.674 ( 0.880 0.310 2.597) 2.760 8.796 ( -0.548 3.022 -2.048) 3.692 8.813 ( -2.368 1.905 1.652) 3.458 8.997 ( 0.956 -0.807 0.293) 1.285 9.024 ( -1.736 -1.570 0.914) 2.513 9.226 ( -0.834 1.103 -10.292) 10.384 9.250 ( -3.531 -0.363 -10.338) 10.930 9.776 ( 1.930 0.290 6.779) 7.054 9.818 ( -2.340 0.368 6.686) 7.093 9.906 ( 2.275 0.117 3.218) 3.943 9.939 ( -1.259 -0.536 3.082) 3.372 10.026 ( -0.205 2.769 3.990) 4.861 10.041 ( -1.609 2.590 4.053) 5.072 10.313 ( 1.552 -2.615 5.340) 6.145 10.354 ( -2.880 -3.424 5.085) 6.773 10.404 ( 2.346 -0.709 6.733) 7.165 10.442 ( -1.607 -1.116 6.477) 6.766 10.746 ( 5.490 0.311 1.941) 5.831 10.795 ( 2.624 1.492 -0.929) 3.159 10.868 ( -0.799 -0.713 -0.726) 1.294 10.890 ( -2.412 1.234 0.619) 2.779 11.024 ( 4.577 -5.835 2.776) 7.919 11.108 ( -3.900 -3.676 2.238) 5.807 11.210 ( 2.742 -0.770 0.586) 2.908 11.251 ( -0.633 -1.301 0.900) 1.704 11.344 ( 1.771 0.903 -3.771) 4.263 11.406 ( -3.925 -1.200 -2.623) 4.871 12.686 ( 4.046 1.428 1.952) 4.714 12.748 ( 0.801 0.421 2.276) 2.450 12.777 ( -2.154 1.414 0.250) 2.588 12.820 ( -3.289 2.221 0.489) 3.998 13.181 ( 1.032 7.346 1.686) 7.607 13.198 ( -0.791 7.896 1.607) 8.097 13.399 ( 0.398 1.317 -0.410) 1.435 13.409 ( -0.760 1.602 -0.229) 1.788 13.557 ( 0.322 -1.194 1.187) 1.714 13.572 ( -1.255 -2.128 1.406) 2.842 13.618 ( 2.013 0.965 1.806) 2.871 13.649 ( -1.270 -0.925 2.772) 3.186 13.842 ( 5.081 1.339 5.422) 7.550 13.899 ( -0.679 1.284 6.503) 6.663 14.040 ( 3.646 -9.042 -0.917) 9.792 14.096 ( -2.526 -10.147 -2.289) 10.704 14.480 ( 0.501 -2.833 -12.905) 13.222 14.544 ( -6.378 0.472 -13.107) 14.584 14.752 ( 0.987 1.927 -6.104) 6.477 14.766 ( -0.132 1.669 -5.193) 5.457 14.954 ( 2.462 2.041 -6.657) 7.385 15.002 ( -2.434 2.646 -6.176) 7.146 15.124 ( 2.330 2.598 -6.453) 7.336 15.186 ( -3.718 0.872 -7.457) 8.378 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 0.000 -9.900 -5.055) 11.116 1.863 ( 0.000 9.900 -5.055) 11.116 2.218 ( 0.000 -10.111 1.898) 10.287 2.218 ( 0.000 10.111 1.898) 10.287 2.620 ( 0.000 -8.189 6.808) 10.649 2.620 ( 0.000 8.189 6.808) 10.649 2.839 ( 0.000 -18.173 -0.189) 18.174 2.839 ( 0.000 18.173 -0.189) 18.174 3.406 ( 0.000 -6.029 6.928) 9.184 3.406 ( 0.000 6.029 6.928) 9.184 3.552 ( 0.000 -20.074 10.174) 22.505 3.552 ( 0.000 20.074 10.174) 22.505 4.232 ( 0.000 -0.027 19.704) 19.704 4.232 ( 0.000 0.027 19.704) 19.704 4.294 ( 0.000 -1.819 14.414) 14.528 4.294 ( 0.000 1.819 14.414) 14.528 4.483 ( 0.000 -7.249 2.994) 7.843 4.483 ( 0.000 7.249 2.994) 7.843 4.569 ( 0.000 -4.619 13.194) 13.979 4.569 ( 0.000 4.619 13.194) 13.979 4.902 ( 0.000 -28.018 17.251) 32.903 4.902 ( 0.000 28.018 17.251) 32.903 5.181 ( 0.000 -6.527 7.841) 10.202 5.181 ( 0.000 6.527 7.841) 10.202 5.326 ( 0.000 -1.087 -2.562) 2.783 5.326 ( 0.000 1.087 -2.562) 2.783 5.568 ( 0.000 -8.800 5.158) 10.200 5.568 ( 0.000 8.800 5.158) 10.200 5.773 ( 0.000 -9.403 -1.673) 9.550 5.773 ( 0.000 9.403 -1.673) 9.550 5.865 ( 0.000 -0.315 -6.003) 6.012 5.865 ( 0.000 0.315 -6.003) 6.012 6.022 ( 0.000 -0.054 0.380) 0.384 6.022 ( 0.000 0.054 0.380) 0.384 6.257 ( 0.000 -8.714 -5.522) 10.316 6.257 ( 0.000 8.714 -5.522) 10.316 6.374 ( 0.000 -0.466 -1.051) 1.149 6.374 ( 0.000 0.466 -1.051) 1.149 6.432 ( 0.000 -2.886 -1.871) 3.439 6.432 ( 0.000 2.886 -1.871) 3.439 6.561 ( 0.000 -0.759 -2.833) 2.933 6.561 ( 0.000 0.759 -2.833) 2.933 6.787 ( 0.000 -4.584 -5.993) 7.545 6.787 ( 0.000 4.584 -5.993) 7.545 6.838 ( 0.000 -0.003 -4.346) 4.346 6.838 ( 0.000 0.003 -4.346) 4.346 7.077 ( 0.000 -2.160 -3.583) 4.184 7.077 ( 0.000 2.160 -3.583) 4.184 7.142 ( 0.000 -1.980 -1.496) 2.481 7.142 ( 0.000 1.980 -1.496) 2.481 7.299 ( 0.000 -2.012 -0.408) 2.053 7.299 ( 0.000 2.012 -0.408) 2.053 7.343 ( 0.000 -1.000 1.963) 2.203 7.343 ( 0.000 1.000 1.963) 2.203 7.455 ( 0.000 -4.374 0.156) 4.376 7.455 ( 0.000 4.374 0.156) 4.376 7.680 ( 0.000 -2.589 -7.696) 8.119 7.680 ( 0.000 2.589 -7.696) 8.119 7.861 ( 0.000 -8.244 -0.326) 8.250 7.861 ( 0.000 8.244 -0.326) 8.250 8.006 ( 0.000 -2.496 2.102) 3.263 8.006 ( 0.000 2.496 2.102) 3.263 8.079 ( 0.000 -2.513 -2.282) 3.395 8.079 ( 0.000 2.513 -2.282) 3.395 8.403 ( 0.000 -2.847 3.872) 4.806 8.403 ( 0.000 2.847 3.872) 4.806 8.446 ( 0.000 -3.514 -5.058) 6.159 8.446 ( 0.000 3.514 -5.058) 6.159 8.591 ( 0.000 -1.136 -4.991) 5.119 8.591 ( 0.000 1.136 -4.991) 5.119 8.898 ( 0.000 -1.139 3.283) 3.475 8.898 ( 0.000 1.139 3.283) 3.475 9.018 ( 0.000 -1.207 -2.773) 3.024 9.018 ( 0.000 1.207 -2.773) 3.024 9.331 ( 0.000 -3.250 -7.012) 7.728 9.331 ( 0.000 3.250 -7.012) 7.728 9.852 ( 0.000 -2.267 6.281) 6.678 9.852 ( 0.000 2.267 6.281) 6.678 9.896 ( 0.000 -0.878 4.464) 4.550 9.896 ( 0.000 0.878 4.464) 4.550 10.067 ( 0.000 -0.826 5.966) 6.023 10.067 ( 0.000 0.826 5.966) 6.023 10.345 ( 0.000 -0.365 4.580) 4.595 10.345 ( 0.000 0.365 4.580) 4.595 10.397 ( 0.000 -1.834 6.465) 6.720 10.397 ( 0.000 1.834 6.465) 6.720 10.630 ( 0.000 -0.061 2.213) 2.214 10.630 ( 0.000 0.061 2.213) 2.214 10.826 ( 0.000 -3.461 -3.013) 4.589 10.826 ( 0.000 3.461 -3.013) 4.589 11.079 ( 0.000 -2.903 4.640) 5.473 11.079 ( 0.000 2.903 4.640) 5.473 11.162 ( 0.000 -2.164 1.897) 2.877 11.162 ( 0.000 2.164 1.897) 2.877 11.437 ( 0.000 -3.437 -5.198) 6.231 11.437 ( 0.000 3.437 -5.198) 6.231 12.654 ( 0.000 -2.321 2.450) 3.374 12.654 ( 0.000 2.321 2.450) 3.374 12.913 ( 0.000 -0.258 -0.122) 0.286 12.913 ( 0.000 0.258 -0.122) 0.286 13.267 ( 0.000 -3.776 1.611) 4.105 13.267 ( 0.000 3.776 1.611) 4.105 13.452 ( 0.000 -4.202 -0.098) 4.203 13.452 ( 0.000 4.202 -0.098) 4.203 13.487 ( 0.000 -0.901 2.937) 3.072 13.487 ( 0.000 0.901 2.937) 3.072 13.639 ( 0.000 -1.078 2.180) 2.432 13.639 ( 0.000 1.078 2.180) 2.432 13.794 ( 0.000 -4.854 0.021) 4.854 13.794 ( 0.000 4.854 0.021) 4.854 13.953 ( 0.000 -6.593 0.480) 6.611 13.953 ( 0.000 6.593 0.480) 6.611 14.584 ( 0.000 -0.000 -8.207) 8.207 14.584 ( 0.000 0.000 -8.207) 8.207 14.796 ( 0.000 -1.476 -5.471) 5.666 14.796 ( 0.000 1.476 -5.471) 5.666 15.002 ( 0.000 -0.017 -9.734) 9.734 15.002 ( 0.000 0.017 -9.734) 9.734 15.215 ( 0.000 -2.859 -8.935) 9.381 15.215 ( 0.000 2.859 -8.935) 9.381 ======================= Grid point 87 (35/60) ======================= q-point: ( 0.20 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 4.247 0.000 -3.526) 5.520 1.940 ( 6.224 0.000 -6.083) 8.703 2.226 ( 0.981 0.000 0.885) 1.322 2.238 ( 1.721 -0.000 5.675) 5.930 2.539 ( -9.430 0.000 -2.687) 9.805 2.584 ( -3.251 -0.000 4.787) 5.786 2.780 ( 5.934 0.000 2.764) 6.546 3.103 ( 15.543 -0.000 2.956) 15.822 3.287 ( -6.535 0.000 3.753) 7.536 3.420 ( -5.468 -0.000 10.453) 11.797 3.482 ( 0.878 0.000 7.096) 7.150 3.646 ( 3.880 0.000 18.276) 18.683 4.005 ( -13.267 0.000 14.489) 19.645 4.143 ( -16.854 -0.000 13.472) 21.576 4.198 ( -9.009 0.000 16.088) 18.439 4.208 ( -7.898 0.000 23.161) 24.470 4.481 ( 2.459 -0.000 -0.915) 2.624 4.551 ( 13.617 -0.000 17.414) 22.106 4.562 ( 4.879 0.000 -0.544) 4.910 4.835 ( 11.089 -0.000 17.900) 21.056 4.975 ( 12.521 -0.000 12.873) 17.958 5.100 ( 11.796 -0.000 20.119) 23.322 5.146 ( 0.376 0.000 10.082) 10.089 5.258 ( -3.484 0.000 -0.750) 3.563 5.286 ( 5.282 -0.000 3.642) 6.416 5.363 ( 1.665 0.000 0.082) 1.667 5.539 ( -2.556 -0.000 5.267) 5.855 5.551 ( -2.241 0.000 5.360) 5.809 5.708 ( -3.194 -0.000 -6.784) 7.498 5.804 ( -1.840 -0.000 -0.305) 1.865 5.824 ( 1.618 0.000 -5.341) 5.581 5.853 ( -10.275 0.000 4.688) 11.294 5.923 ( -0.479 0.000 -3.632) 3.663 6.090 ( 1.084 0.000 -3.301) 3.475 6.183 ( -3.637 -0.000 -6.493) 7.442 6.194 ( -2.444 0.000 -4.064) 4.742 6.338 ( -2.228 0.000 0.393) 2.263 6.449 ( -3.250 0.000 3.134) 4.515 6.457 ( 6.797 -0.000 -8.101) 10.574 6.520 ( -5.538 0.000 -3.920) 6.785 6.540 ( 3.250 0.000 -1.939) 3.784 6.546 ( -0.998 -0.000 -4.862) 4.963 6.715 ( 4.289 0.000 -1.423) 4.519 6.750 ( 0.988 -0.000 -6.398) 6.474 6.792 ( -9.507 -0.000 0.103) 9.508 6.855 ( 1.710 0.000 -4.246) 4.578 7.012 ( -0.806 0.000 -4.370) 4.444 7.065 ( -4.075 0.000 -2.071) 4.571 7.178 ( -4.375 -0.000 -5.137) 6.747 7.179 ( -5.895 0.000 -0.198) 5.898 7.204 ( 3.002 -0.000 -11.296) 11.688 7.307 ( 8.408 0.000 0.626) 8.432 7.366 ( -3.921 0.000 -0.627) 3.971 7.450 ( 6.363 0.000 3.560) 7.291 7.479 ( 0.914 0.000 -5.623) 5.697 7.508 ( 6.716 0.000 4.765) 8.235 7.607 ( -2.768 0.000 0.656) 2.844 7.678 ( -3.318 0.000 -5.867) 6.740 7.827 ( -3.576 0.000 -5.125) 6.250 7.839 ( 1.032 -0.000 -3.166) 3.330 7.990 ( -2.686 0.000 -3.759) 4.620 8.001 ( -0.104 -0.000 3.935) 3.936 8.114 ( 4.782 0.000 -1.596) 5.042 8.177 ( 4.722 0.000 1.011) 4.829 8.341 ( -1.073 0.000 1.754) 2.056 8.387 ( -0.718 0.000 -3.789) 3.857 8.506 ( 3.322 0.000 1.109) 3.502 8.513 ( 3.655 0.000 -4.299) 5.643 8.598 ( 1.514 0.000 -1.710) 2.284 8.627 ( 3.535 0.000 -2.868) 4.552 8.870 ( -2.859 -0.000 3.306) 4.371 8.877 ( -1.962 0.000 1.185) 2.292 9.008 ( -1.222 -0.000 -3.284) 3.504 9.009 ( -0.437 0.000 -0.110) 0.451 9.296 ( -2.771 0.000 -7.217) 7.731 9.311 ( -3.233 -0.000 -8.575) 9.164 9.783 ( -2.267 0.000 7.276) 7.621 9.866 ( -1.978 0.000 6.204) 6.512 9.903 ( 1.202 0.000 4.350) 4.513 9.914 ( 0.690 0.000 3.605) 3.670 10.064 ( 0.116 -0.000 4.998) 5.000 10.069 ( -0.273 0.000 5.115) 5.122 10.317 ( -1.595 -0.000 5.339) 5.572 10.339 ( -3.488 0.000 7.190) 7.991 10.380 ( 2.155 0.000 5.294) 5.716 10.410 ( 0.744 -0.000 6.006) 6.052 10.665 ( 4.612 0.000 2.331) 5.168 10.756 ( 9.379 0.000 4.278) 10.309 10.832 ( 1.072 -0.000 -2.566) 2.781 10.838 ( 0.873 0.000 -3.652) 3.755 11.008 ( -5.162 0.000 2.487) 5.730 11.121 ( 0.691 0.000 3.302) 3.373 11.148 ( 0.601 0.000 3.162) 3.219 11.190 ( 2.290 -0.000 1.467) 2.720 11.412 ( -2.229 0.000 -5.051) 5.521 11.426 ( -1.670 -0.000 -4.961) 5.235 12.656 ( 1.386 0.000 2.057) 2.481 12.693 ( 3.016 0.000 2.536) 3.940 12.863 ( -3.847 0.000 0.094) 3.848 12.903 ( -2.289 0.000 0.157) 2.295 13.266 ( 0.661 0.000 1.816) 1.933 13.284 ( 0.815 0.000 1.316) 1.548 13.410 ( -1.742 0.000 0.283) 1.765 13.444 ( -1.524 -0.000 1.964) 2.486 13.499 ( 1.017 0.000 2.276) 2.493 13.531 ( 2.109 0.000 0.606) 2.194 13.631 ( 0.521 0.000 2.228) 2.288 13.657 ( 0.771 0.000 1.140) 1.376 13.796 ( 2.371 0.000 1.908) 3.044 13.846 ( 3.457 0.000 0.882) 3.567 13.956 ( 0.309 0.000 1.343) 1.378 13.957 ( 0.239 -0.000 0.186) 0.303 14.491 ( -4.277 0.000 -10.915) 11.723 14.664 ( 1.072 0.000 -9.299) 9.361 14.774 ( -4.031 -0.000 -6.935) 8.021 14.776 ( -0.436 0.000 -6.112) 6.128 14.931 ( 0.034 0.000 -8.436) 8.436 15.051 ( 0.335 0.000 -7.106) 7.114 15.169 ( -2.362 0.000 -7.514) 7.877 15.231 ( -0.697 0.000 -8.994) 9.021 ======================= Grid point 89 (36/60) ======================= q-point: ( 0.40 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 6.163 0.000 0.230) 6.168 2.039 ( 2.827 0.000 -3.103) 4.197 2.236 ( 0.110 0.000 -1.745) 1.748 2.258 ( -1.284 0.000 7.603) 7.710 2.414 ( -0.625 0.000 -7.855) 7.879 2.495 ( -6.238 -0.000 -0.053) 6.238 2.952 ( 11.277 0.000 -1.360) 11.358 3.144 ( -9.343 0.000 -1.959) 9.546 3.347 ( 9.423 -0.000 11.419) 14.805 3.451 ( 9.744 -0.000 10.662) 14.443 3.459 ( -3.059 0.000 11.636) 12.031 3.642 ( -6.898 0.000 21.713) 22.782 3.792 ( -6.563 0.000 11.274) 13.045 3.849 ( -11.789 -0.000 20.405) 23.566 4.080 ( -2.059 -0.000 16.913) 17.038 4.110 ( -4.109 0.000 18.511) 18.962 4.552 ( 4.704 0.000 -3.078) 5.622 4.610 ( -0.590 0.000 -2.110) 2.191 4.803 ( 12.982 0.000 18.359) 22.485 4.973 ( -1.378 0.000 18.202) 18.254 5.101 ( 2.254 -0.000 14.605) 14.778 5.196 ( -3.498 -0.000 15.033) 15.434 5.227 ( 10.275 0.000 5.246) 11.537 5.307 ( 8.858 -0.000 5.283) 10.314 5.343 ( 0.633 0.000 7.925) 7.950 5.415 ( 1.477 0.000 0.229) 1.495 5.485 ( -4.237 -0.000 7.843) 8.914 5.490 ( -2.578 0.000 5.769) 6.318 5.691 ( -2.282 0.000 3.077) 3.831 5.697 ( 1.714 -0.000 -8.885) 9.048 5.771 ( -2.240 0.000 4.285) 4.835 5.826 ( -7.539 0.000 -0.776) 7.579 5.892 ( 3.907 0.000 -4.129) 5.685 6.017 ( -9.104 0.000 -0.856) 9.144 6.162 ( -0.104 0.000 -3.814) 3.816 6.163 ( -0.667 -0.000 -2.616) 2.699 6.327 ( 1.232 -0.000 -6.002) 6.127 6.335 ( -1.184 0.000 -2.880) 3.114 6.503 ( -1.553 0.000 -6.330) 6.518 6.506 ( -2.781 -0.000 -4.870) 5.608 6.577 ( 2.626 -0.000 -1.569) 3.059 6.598 ( 7.316 0.000 -7.150) 10.230 6.653 ( -3.885 0.000 -0.979) 4.006 6.772 ( -8.928 0.000 -7.821) 11.869 6.833 ( 6.984 0.000 -5.151) 8.678 6.839 ( 6.731 -0.000 0.251) 6.736 6.990 ( -2.977 0.000 -0.590) 3.035 7.016 ( -5.868 -0.000 2.418) 6.346 7.080 ( -2.250 0.000 -2.517) 3.376 7.106 ( -2.359 -0.000 -2.881) 3.724 7.234 ( 4.466 0.000 -13.020) 13.765 7.357 ( -4.850 0.000 -3.628) 6.057 7.382 ( 4.063 0.000 -1.851) 4.465 7.450 ( -2.621 0.000 -1.068) 2.830 7.545 ( 4.936 -0.000 -4.986) 7.016 7.599 ( 1.196 0.000 0.933) 1.517 7.609 ( 0.915 0.000 4.388) 4.482 7.614 ( -1.502 -0.000 -5.925) 6.113 7.816 ( 2.403 -0.000 -5.924) 6.392 7.868 ( -0.199 0.000 -3.546) 3.551 7.937 ( -1.037 0.000 -1.275) 1.644 7.973 ( -2.639 0.000 3.770) 4.601 8.177 ( 2.101 0.000 -2.286) 3.105 8.206 ( -0.871 0.000 -1.461) 1.701 8.376 ( 3.395 -0.000 0.239) 3.403 8.401 ( 0.954 0.000 -1.736) 1.981 8.541 ( 0.800 -0.000 -1.771) 1.943 8.546 ( 0.262 0.000 -4.510) 4.517 8.653 ( 3.470 0.000 4.589) 5.753 8.681 ( 1.052 0.000 3.183) 3.353 8.823 ( -1.296 0.000 -0.609) 1.432 8.836 ( -2.154 0.000 -1.819) 2.819 8.994 ( 0.107 0.000 -0.611) 0.620 9.004 ( -0.384 0.000 2.701) 2.728 9.242 ( -2.842 0.000 -11.086) 11.444 9.243 ( -2.469 -0.000 -9.370) 9.690 9.780 ( 1.547 0.000 7.284) 7.446 9.822 ( -2.662 0.000 7.094) 7.576 9.915 ( 0.445 0.000 3.684) 3.711 9.920 ( -0.056 -0.000 3.421) 3.421 10.064 ( -0.040 -0.000 3.981) 3.982 10.066 ( -0.042 0.000 3.698) 3.699 10.293 ( -0.780 -0.000 6.851) 6.896 10.295 ( -1.174 0.000 7.587) 7.677 10.415 ( 1.481 0.000 6.164) 6.339 10.425 ( 0.405 -0.000 6.330) 6.343 10.761 ( 5.674 0.000 1.410) 5.847 10.830 ( -0.332 0.000 1.023) 1.075 10.852 ( 0.686 0.000 -1.217) 1.397 10.897 ( -4.810 0.000 2.063) 5.234 10.947 ( 7.662 0.000 1.086) 7.738 11.069 ( -5.023 0.000 2.264) 5.510 11.208 ( 3.813 0.000 1.637) 4.149 11.234 ( 1.603 0.000 0.230) 1.620 11.368 ( -1.778 0.000 -4.541) 4.877 11.382 ( -2.697 -0.000 -4.640) 5.367 12.702 ( 3.505 0.000 1.627) 3.865 12.752 ( 1.921 0.000 2.629) 3.256 12.792 ( -2.338 0.000 0.024) 2.338 12.842 ( -4.048 0.000 0.799) 4.126 13.283 ( 0.909 0.000 1.714) 1.941 13.292 ( 0.001 0.000 1.387) 1.387 13.396 ( 0.223 0.000 0.879) 0.907 13.414 ( -1.538 -0.000 1.684) 2.280 13.519 ( 1.092 0.000 1.463) 1.826 13.537 ( -0.788 0.000 0.846) 1.156 13.652 ( 1.133 0.000 0.691) 1.327 13.663 ( -0.128 0.000 0.451) 0.469 13.873 ( 4.878 0.000 6.005) 7.737 13.903 ( 2.124 0.000 3.779) 4.335 13.954 ( -0.776 0.000 1.696) 1.865 13.955 ( -0.645 -0.000 -0.179) 0.670 14.452 ( 0.969 0.000 -14.680) 14.712 14.546 ( -8.794 0.000 -15.262) 17.614 14.777 ( 1.403 -0.000 -5.225) 5.411 14.780 ( 0.563 0.000 -6.199) 6.225 14.973 ( 3.113 0.000 -6.707) 7.394 15.027 ( -2.562 0.000 -6.265) 6.768 15.151 ( 0.895 0.000 -6.489) 6.550 15.194 ( -2.966 0.000 -7.251) 7.834 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 0.000 0.000 -7.217) 7.217 1.852 ( 0.000 0.000 9.739) 9.739 2.474 ( 0.000 0.000 27.054) 27.054 2.591 ( 0.000 0.000 4.088) 4.088 2.908 ( 0.000 0.000 2.106) 2.106 2.910 ( 0.000 0.000 4.023) 4.023 2.932 ( 0.000 0.000 -5.233) 5.233 3.149 ( 0.000 0.000 23.720) 23.720 3.166 ( 0.000 0.000 -2.783) 2.783 3.228 ( 0.000 0.000 -2.230) 2.230 3.845 ( 0.000 0.000 -7.486) 7.486 4.280 ( 0.000 0.000 18.512) 18.512 4.297 ( 0.000 0.000 57.315) 57.315 4.379 ( 0.000 0.000 13.698) 13.698 4.467 ( 0.000 0.000 9.359) 9.359 4.503 ( 0.000 0.000 13.188) 13.188 4.711 ( 0.000 0.000 2.140) 2.140 4.730 ( 0.000 0.000 9.622) 9.622 4.847 ( 0.000 0.000 7.818) 7.818 4.881 ( 0.000 0.000 -13.689) 13.689 5.015 ( 0.000 0.000 9.778) 9.778 5.062 ( 0.000 0.000 2.040) 2.040 5.198 ( 0.000 0.000 4.311) 4.311 5.321 ( 0.000 0.000 -5.614) 5.614 5.379 ( 0.000 0.000 10.236) 10.236 5.470 ( 0.000 0.000 -8.096) 8.096 5.531 ( 0.000 0.000 -13.359) 13.359 5.583 ( 0.000 0.000 4.801) 4.801 5.745 ( 0.000 0.000 -8.239) 8.239 5.758 ( 0.000 0.000 6.223) 6.223 5.904 ( 0.000 0.000 4.991) 4.991 5.967 ( 0.000 0.000 -6.109) 6.109 6.115 ( 0.000 0.000 8.511) 8.511 6.125 ( 0.000 0.000 7.816) 7.816 6.128 ( 0.000 0.000 10.460) 10.460 6.151 ( 0.000 0.000 -7.388) 7.388 6.189 ( 0.000 0.000 -9.495) 9.495 6.217 ( 0.000 0.000 -6.822) 6.822 6.298 ( 0.000 0.000 4.768) 4.768 6.326 ( 0.000 0.000 3.847) 3.847 6.514 ( 0.000 0.000 0.729) 0.729 6.554 ( 0.000 0.000 1.485) 1.485 6.647 ( 0.000 0.000 3.039) 3.039 6.703 ( 0.000 0.000 -9.023) 9.023 6.771 ( 0.000 0.000 2.861) 2.861 6.965 ( 0.000 0.000 0.909) 0.909 6.971 ( 0.000 0.000 3.577) 3.577 7.013 ( 0.000 0.000 -8.401) 8.401 7.023 ( 0.000 0.000 -4.610) 4.610 7.023 ( 0.000 0.000 3.233) 3.233 7.055 ( 0.000 0.000 -11.625) 11.625 7.108 ( 0.000 0.000 -3.302) 3.302 7.214 ( 0.000 0.000 9.452) 9.452 7.370 ( 0.000 0.000 -4.667) 4.667 7.471 ( 0.000 0.000 6.847) 6.847 7.653 ( 0.000 0.000 2.656) 2.656 7.674 ( 0.000 0.000 -19.704) 19.704 7.693 ( 0.000 0.000 -6.873) 6.873 7.790 ( 0.000 0.000 7.733) 7.733 7.871 ( 0.000 0.000 6.629) 6.629 7.915 ( 0.000 0.000 -16.291) 16.291 8.026 ( 0.000 0.000 -5.365) 5.365 8.039 ( 0.000 0.000 -5.486) 5.486 8.128 ( 0.000 0.000 3.519) 3.519 8.258 ( 0.000 0.000 -1.128) 1.128 8.404 ( 0.000 0.000 -11.762) 11.762 8.466 ( 0.000 0.000 -5.275) 5.275 8.480 ( 0.000 0.000 2.259) 2.259 8.590 ( 0.000 0.000 7.675) 7.675 8.642 ( 0.000 0.000 -6.463) 6.463 8.688 ( 0.000 0.000 1.376) 1.376 8.844 ( 0.000 0.000 -0.452) 0.452 8.997 ( 0.000 0.000 -0.593) 0.593 9.104 ( 0.000 0.000 -5.770) 5.770 9.109 ( 0.000 0.000 1.104) 1.104 9.226 ( 0.000 0.000 -10.097) 10.097 9.833 ( 0.000 0.000 2.657) 2.657 9.834 ( 0.000 0.000 0.455) 0.455 9.869 ( 0.000 0.000 6.076) 6.076 9.959 ( 0.000 0.000 2.429) 2.429 10.122 ( 0.000 0.000 7.438) 7.438 10.211 ( 0.000 0.000 3.282) 3.282 10.278 ( 0.000 0.000 -0.857) 0.857 10.486 ( 0.000 0.000 -4.073) 4.073 10.557 ( 0.000 0.000 0.832) 0.832 10.567 ( 0.000 0.000 -2.946) 2.946 10.681 ( 0.000 0.000 1.701) 1.701 10.704 ( 0.000 0.000 4.582) 4.582 10.732 ( 0.000 0.000 0.345) 0.345 10.876 ( 0.000 0.000 -2.996) 2.996 11.151 ( 0.000 0.000 -1.612) 1.612 11.235 ( 0.000 0.000 6.720) 6.720 11.247 ( 0.000 0.000 -3.147) 3.147 11.370 ( 0.000 0.000 3.216) 3.216 11.458 ( 0.000 0.000 2.968) 2.968 11.567 ( 0.000 0.000 2.462) 2.462 12.617 ( 0.000 0.000 2.376) 2.376 12.737 ( 0.000 0.000 -1.752) 1.752 12.753 ( 0.000 0.000 3.070) 3.070 12.856 ( 0.000 0.000 1.297) 1.297 13.065 ( 0.000 0.000 1.842) 1.842 13.078 ( 0.000 0.000 3.363) 3.363 13.216 ( 0.000 0.000 -2.805) 2.805 13.273 ( 0.000 0.000 -2.671) 2.671 13.578 ( 0.000 0.000 1.120) 1.120 13.584 ( 0.000 0.000 2.719) 2.719 13.637 ( 0.000 0.000 1.790) 1.790 13.869 ( 0.000 0.000 4.927) 4.927 13.939 ( 0.000 0.000 8.510) 8.510 14.065 ( 0.000 0.000 -12.842) 12.842 14.093 ( 0.000 0.000 4.845) 4.845 14.125 ( 0.000 0.000 7.127) 7.127 14.446 ( 0.000 0.000 -10.753) 10.753 14.459 ( 0.000 0.000 -5.178) 5.178 14.580 ( 0.000 0.000 -5.551) 5.551 14.740 ( 0.000 0.000 -10.622) 10.622 14.806 ( 0.000 0.000 -0.020) 0.020 14.837 ( 0.000 0.000 -5.592) 5.592 14.843 ( 0.000 0.000 1.497) 1.497 15.033 ( 0.000 0.000 -10.685) 10.685 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 8.441 0.000 -4.450) 9.542 2.043 ( 19.248 0.000 5.748) 20.088 2.512 ( -5.467 0.000 7.126) 8.982 2.571 ( 6.639 0.000 18.816) 19.953 2.896 ( -1.646 0.000 4.225) 4.534 2.911 ( -2.270 0.000 -5.834) 6.261 2.935 ( 1.821 0.000 -1.657) 2.462 3.119 ( -2.779 0.000 2.807) 3.950 3.206 ( 6.578 0.000 24.985) 25.837 3.227 ( -0.828 0.000 -0.057) 0.830 3.886 ( -24.986 0.000 20.360) 32.231 3.927 ( 6.749 0.000 -4.303) 8.003 4.164 ( -17.352 0.000 14.823) 22.821 4.404 ( 10.913 0.000 50.295) 51.465 4.624 ( 5.955 0.000 1.834) 6.231 4.650 ( 4.533 0.000 3.321) 5.619 4.742 ( 1.729 0.000 10.289) 10.433 4.788 ( 10.642 0.000 7.323) 12.918 4.914 ( 3.296 0.000 4.224) 5.358 4.944 ( 5.943 0.000 -8.898) 10.700 4.951 ( -7.948 0.000 3.453) 8.666 5.135 ( 9.613 0.000 9.257) 13.345 5.147 ( -3.465 0.000 5.187) 6.238 5.294 ( -9.779 0.000 -4.484) 10.758 5.353 ( 1.915 0.000 0.028) 1.915 5.368 ( -2.152 0.000 9.929) 10.160 5.507 ( -7.065 0.000 -0.219) 7.068 5.623 ( 5.129 0.000 -10.151) 11.373 5.713 ( -2.883 0.000 8.924) 9.378 5.827 ( -7.242 0.000 3.794) 8.175 5.829 ( 4.750 0.000 -8.836) 10.032 5.954 ( -12.806 0.000 18.596) 22.579 5.999 ( -3.637 0.000 0.112) 3.638 6.104 ( -6.919 0.000 7.919) 10.516 6.128 ( -0.107 0.000 -9.210) 9.211 6.162 ( 10.885 0.000 0.187) 10.887 6.214 ( -1.839 0.000 6.427) 6.685 6.230 ( 2.095 0.000 -6.833) 7.147 6.265 ( 3.213 0.000 -5.090) 6.019 6.478 ( -1.342 0.000 4.592) 4.784 6.497 ( 4.386 0.000 -5.118) 6.740 6.527 ( 2.477 0.000 -4.003) 4.707 6.670 ( 2.209 0.000 2.788) 3.557 6.691 ( -2.915 0.000 1.681) 3.365 6.777 ( 6.389 0.000 -2.721) 6.945 6.857 ( -7.012 0.000 -2.669) 7.503 6.864 ( -3.855 0.000 1.386) 4.096 6.950 ( -5.384 0.000 -0.749) 5.436 7.062 ( 1.025 0.000 -5.670) 5.762 7.072 ( -1.021 0.000 -6.347) 6.429 7.149 ( 7.666 0.000 -3.626) 8.480 7.172 ( 4.568 0.000 -5.427) 7.093 7.308 ( -4.740 0.000 -5.244) 7.068 7.415 ( 16.609 0.000 8.270) 18.554 7.498 ( 1.182 0.000 3.171) 3.384 7.514 ( -12.260 0.000 -4.900) 13.203 7.654 ( -1.168 0.000 -12.805) 12.858 7.661 ( -2.144 0.000 -2.474) 3.274 7.733 ( -10.522 0.000 2.676) 10.857 7.777 ( -1.953 0.000 4.453) 4.863 7.892 ( -4.110 0.000 -10.158) 10.958 7.997 ( -4.284 0.000 -4.358) 6.111 8.105 ( 7.504 0.000 -9.255) 11.915 8.232 ( 6.174 0.000 0.938) 6.245 8.266 ( 1.642 0.000 -1.576) 2.276 8.424 ( 3.169 0.000 -6.860) 7.556 8.458 ( -1.613 0.000 -0.422) 1.667 8.531 ( 4.225 0.000 0.050) 4.225 8.629 ( -1.257 0.000 -2.516) 2.813 8.641 ( 5.341 0.000 4.898) 7.247 8.699 ( 0.744 0.000 -2.808) 2.905 8.869 ( 2.477 0.000 0.317) 2.498 9.017 ( 1.976 0.000 0.576) 2.058 9.061 ( -4.515 0.000 -5.114) 6.821 9.110 ( -0.059 0.000 1.128) 1.129 9.162 ( -5.950 0.000 -8.806) 10.628 9.836 ( 1.214 0.000 3.768) 3.959 9.843 ( 1.054 0.000 0.700) 1.265 9.912 ( 2.971 0.000 3.903) 4.905 9.948 ( -1.213 0.000 2.426) 2.712 10.096 ( -1.756 0.000 6.497) 6.730 10.206 ( -1.177 0.000 4.971) 5.109 10.287 ( 1.038 0.000 -0.532) 1.167 10.480 ( -3.558 0.000 -0.877) 3.665 10.535 ( 1.652 0.000 -2.307) 2.838 10.562 ( 0.330 0.000 -2.425) 2.448 10.673 ( -1.517 0.000 1.789) 2.345 10.740 ( -0.613 0.000 -0.761) 0.977 10.762 ( 5.849 0.000 2.786) 6.479 10.905 ( 3.523 0.000 -2.401) 4.263 11.102 ( -4.331 0.000 -0.266) 4.339 11.207 ( -4.158 0.000 -2.799) 5.013 11.288 ( 4.475 0.000 5.075) 6.766 11.381 ( 1.161 0.000 3.126) 3.335 11.453 ( -0.582 0.000 2.802) 2.862 11.539 ( -2.962 0.000 2.873) 4.127 12.640 ( 2.470 0.000 2.207) 3.312 12.738 ( 0.061 0.000 -1.300) 1.301 12.750 ( -0.245 0.000 2.572) 2.584 12.836 ( -2.276 0.000 1.282) 2.613 13.061 ( -0.326 0.000 2.200) 2.224 13.075 ( -0.330 0.000 3.240) 3.257 13.223 ( 0.658 0.000 -2.817) 2.893 13.269 ( -0.461 0.000 -2.700) 2.739 13.577 ( -0.102 0.000 1.334) 1.338 13.583 ( -0.141 0.000 2.598) 2.602 13.677 ( 4.218 0.000 1.292) 4.411 13.877 ( 0.984 0.000 5.370) 5.460 13.934 ( -1.298 0.000 5.563) 5.712 14.016 ( -4.090 0.000 7.066) 8.164 14.083 ( 2.577 0.000 -9.443) 9.789 14.247 ( 8.891 0.000 3.786) 9.663 14.394 ( -4.791 0.000 -4.855) 6.821 14.481 ( 1.995 0.000 -10.750) 10.934 14.611 ( 3.193 0.000 -4.898) 5.847 14.733 ( -4.617 0.000 -6.750) 8.178 14.766 ( -6.240 0.000 -1.702) 6.468 14.802 ( 3.619 0.000 -5.514) 6.596 14.837 ( -2.025 0.000 -2.472) 3.195 15.027 ( -1.148 0.000 -9.646) 9.715 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( 12.945 0.000 0.104) 12.945 2.337 ( -12.077 0.000 3.123) 12.475 2.453 ( 22.920 0.000 -3.608) 23.203 2.729 ( 8.228 0.000 11.933) 14.495 2.783 ( -12.309 0.000 -11.127) 16.592 2.844 ( -4.387 0.000 6.094) 7.509 2.997 ( 4.963 0.000 -0.098) 4.964 3.089 ( -3.124 0.000 1.406) 3.426 3.236 ( 4.909 0.000 13.296) 14.174 3.401 ( 14.949 0.000 26.804) 30.691 3.462 ( -19.663 0.000 22.047) 29.541 3.729 ( -20.055 0.000 24.043) 31.309 4.235 ( 16.798 0.000 -8.464) 18.810 4.559 ( -16.089 0.000 -6.954) 17.528 4.626 ( 9.291 0.000 27.110) 28.658 4.667 ( 1.062 0.000 3.378) 3.541 4.781 ( 5.574 0.000 10.855) 12.203 4.861 ( 3.756 0.000 1.451) 4.027 4.945 ( -5.138 0.000 12.235) 13.270 4.949 ( -2.938 0.000 2.053) 3.584 5.017 ( 8.332 0.000 -1.439) 8.455 5.133 ( -0.952 0.000 -1.371) 1.669 5.190 ( 1.163 0.000 10.404) 10.469 5.258 ( -2.960 0.000 12.402) 12.751 5.375 ( 1.326 0.000 14.894) 14.953 5.401 ( 10.173 0.000 2.236) 10.416 5.411 ( -0.490 0.000 1.657) 1.728 5.604 ( -9.933 0.000 0.622) 9.952 5.637 ( -5.053 0.000 9.798) 11.024 5.671 ( -12.112 0.000 22.610) 25.649 5.781 ( 5.639 0.000 -4.078) 6.959 5.902 ( -6.469 0.000 -1.770) 6.707 5.924 ( 3.230 0.000 -4.843) 5.821 5.984 ( -4.327 0.000 0.644) 4.375 6.157 ( 3.519 0.000 -6.473) 7.368 6.236 ( -4.081 0.000 -3.955) 5.683 6.246 ( 3.956 0.000 -0.184) 3.960 6.305 ( 2.961 0.000 -2.114) 3.638 6.379 ( -1.824 0.000 -1.423) 2.313 6.404 ( 12.606 0.000 -2.399) 12.832 6.490 ( -7.485 0.000 -3.158) 8.124 6.595 ( -4.620 0.000 -0.976) 4.722 6.680 ( 4.795 0.000 -1.963) 5.181 6.739 ( 5.346 0.000 0.194) 5.350 6.767 ( -0.268 0.000 -0.586) 0.644 6.835 ( -5.085 0.000 -0.183) 5.088 6.913 ( 6.794 0.000 2.528) 7.249 6.918 ( 4.665 0.000 -0.346) 4.678 6.997 ( -5.574 0.000 -5.783) 8.032 7.035 ( -4.393 0.000 -0.904) 4.485 7.180 ( -0.822 0.000 -8.161) 8.203 7.261 ( -7.354 0.000 -6.283) 9.673 7.298 ( 8.402 0.000 -6.341) 10.526 7.374 ( 4.937 0.000 -2.819) 5.685 7.442 ( -6.781 0.000 -6.181) 9.175 7.534 ( -10.451 0.000 0.267) 10.454 7.650 ( 4.038 0.000 -1.243) 4.225 7.682 ( 3.949 0.000 -13.277) 13.852 7.682 ( 3.539 0.000 0.515) 3.577 7.746 ( 3.869 0.000 6.596) 7.647 7.785 ( -6.616 0.000 -10.377) 12.307 7.895 ( -7.202 0.000 0.742) 7.240 8.231 ( 5.359 0.000 -8.303) 9.882 8.284 ( -0.258 0.000 -5.201) 5.208 8.323 ( 4.305 0.000 -0.027) 4.305 8.404 ( -4.116 0.000 1.544) 4.396 8.504 ( 4.677 0.000 -1.249) 4.841 8.572 ( -2.082 0.000 -1.809) 2.759 8.634 ( 3.750 0.000 -0.388) 3.770 8.694 ( -1.812 0.000 -3.947) 4.343 8.762 ( 7.485 0.000 4.766) 8.874 8.888 ( -3.977 0.000 7.070) 8.112 8.986 ( 0.294 0.000 -9.882) 9.886 9.055 ( -5.317 0.000 -7.762) 9.409 9.061 ( 2.554 0.000 1.638) 3.035 9.098 ( -1.389 0.000 1.321) 1.917 9.873 ( 2.193 0.000 1.406) 2.605 9.877 ( 2.985 0.000 3.650) 4.715 9.916 ( -2.278 0.000 2.142) 3.127 9.927 ( -1.736 0.000 3.262) 3.695 10.100 ( 2.534 0.000 5.976) 6.492 10.161 ( -3.436 0.000 5.812) 6.751 10.320 ( 2.820 0.000 0.098) 2.822 10.391 ( -4.841 0.000 0.501) 4.867 10.588 ( 2.306 0.000 -1.162) 2.582 10.607 ( 5.008 0.000 -3.484) 6.101 10.634 ( -2.533 0.000 0.621) 2.608 10.694 ( -4.084 0.000 -2.538) 4.809 10.883 ( 7.066 0.000 1.261) 7.178 10.996 ( 6.011 0.000 -1.810) 6.278 11.006 ( -6.167 0.000 0.314) 6.175 11.110 ( -6.150 0.000 -2.140) 6.512 11.377 ( 5.144 0.000 4.245) 6.670 11.407 ( 1.643 0.000 2.876) 3.312 11.436 ( -1.350 0.000 2.712) 3.029 11.468 ( -4.622 0.000 3.608) 5.864 12.701 ( 4.025 0.000 1.830) 4.421 12.740 ( 0.199 0.000 -0.130) 0.238 12.745 ( -0.311 0.000 1.331) 1.367 12.777 ( -3.991 0.000 1.458) 4.249 13.059 ( 0.212 0.000 2.680) 2.688 13.067 ( -0.506 0.000 3.017) 3.059 13.238 ( 1.006 0.000 -2.819) 2.993 13.256 ( -0.898 0.000 -2.770) 2.911 13.576 ( 0.086 0.000 1.811) 1.813 13.579 ( -0.211 0.000 2.275) 2.285 13.775 ( 5.985 0.000 0.522) 6.007 13.877 ( -4.792 0.000 1.094) 4.916 13.905 ( 2.081 0.000 6.269) 6.605 13.952 ( -3.060 0.000 7.029) 7.667 14.166 ( 6.132 0.000 -3.979) 7.310 14.287 ( -6.686 0.000 -3.070) 7.357 14.428 ( 10.624 0.000 1.529) 10.733 14.535 ( 4.047 0.000 -10.774) 11.509 14.615 ( -9.354 0.000 0.396) 9.362 14.626 ( -5.891 0.000 -8.407) 10.265 14.690 ( 4.505 0.000 -4.808) 6.589 14.776 ( -4.371 0.000 -3.428) 5.555 14.893 ( 5.424 0.000 -7.558) 9.303 14.981 ( -3.894 0.000 -8.402) 9.260 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.000 -5.360 -3.876) 6.615 1.928 ( 0.000 5.205 1.710) 5.478 2.497 ( 0.000 -1.155 20.594) 20.626 2.597 ( 0.000 0.894 5.077) 5.155 2.631 ( 0.000 -16.656 6.695) 17.951 2.861 ( 0.000 -11.205 3.920) 11.871 2.945 ( 0.000 0.662 -5.953) 5.990 3.104 ( 0.000 -9.384 0.604) 9.403 3.177 ( 0.000 2.727 2.091) 3.436 3.247 ( 0.000 6.944 16.195) 17.621 3.920 ( 0.000 7.737 -7.238) 10.594 4.303 ( 0.000 -13.175 13.217) 18.662 4.346 ( 0.000 6.665 18.628) 19.785 4.423 ( 0.000 4.035 12.912) 13.528 4.454 ( 0.000 11.058 43.850) 45.223 4.553 ( 0.000 0.745 15.471) 15.489 4.652 ( 0.000 -2.337 8.140) 8.468 4.745 ( 0.000 -1.847 3.385) 3.857 4.783 ( 0.000 2.069 16.501) 16.631 4.839 ( 0.000 -6.929 -1.344) 7.058 5.011 ( 0.000 -3.807 1.640) 4.145 5.025 ( 0.000 0.553 2.886) 2.938 5.214 ( 0.000 -0.336 6.089) 6.098 5.351 ( 0.000 4.299 -6.470) 7.768 5.364 ( 0.000 -0.731 9.160) 9.189 5.490 ( 0.000 -3.062 -12.312) 12.687 5.547 ( 0.000 4.382 -7.105) 8.347 5.603 ( 0.000 2.161 5.290) 5.714 5.736 ( 0.000 -0.865 -10.532) 10.568 5.790 ( 0.000 -0.418 0.507) 0.658 5.938 ( 0.000 0.566 -0.554) 0.792 5.988 ( 0.000 1.697 -5.740) 5.986 6.003 ( 0.000 -2.789 5.049) 5.768 6.024 ( 0.000 -4.014 2.724) 4.851 6.143 ( 0.000 -5.175 3.418) 6.202 6.204 ( 0.000 7.548 3.738) 8.423 6.276 ( 0.000 10.313 7.035) 12.484 6.294 ( 0.000 5.480 -6.772) 8.711 6.343 ( 0.000 0.121 -1.459) 1.464 6.423 ( 0.000 -8.787 1.524) 8.918 6.454 ( 0.000 9.994 0.183) 9.995 6.528 ( 0.000 -0.250 1.280) 1.304 6.606 ( 0.000 -1.918 5.163) 5.508 6.719 ( 0.000 -5.156 -1.159) 5.285 6.723 ( 0.000 0.017 -6.860) 6.860 6.846 ( 0.000 -7.895 -2.778) 8.369 6.928 ( 0.000 -3.467 1.129) 3.646 6.991 ( 0.000 -0.651 -6.267) 6.300 7.043 ( 0.000 1.676 5.432) 5.685 7.091 ( 0.000 6.355 -5.451) 8.373 7.109 ( 0.000 3.795 -7.543) 8.444 7.216 ( 0.000 6.884 -1.046) 6.963 7.293 ( 0.000 6.522 7.062) 9.613 7.367 ( 0.000 -2.059 -6.356) 6.681 7.410 ( 0.000 -3.519 4.855) 5.996 7.580 ( 0.000 -4.999 -10.529) 11.656 7.643 ( 0.000 -1.992 0.796) 2.145 7.743 ( 0.000 -4.626 7.245) 8.596 7.743 ( 0.000 2.283 -16.006) 16.168 7.879 ( 0.000 0.308 4.413) 4.424 7.909 ( 0.000 -1.503 -13.282) 13.367 7.994 ( 0.000 -2.639 -2.606) 3.709 8.060 ( 0.000 1.719 -4.411) 4.733 8.135 ( 0.000 0.698 3.993) 4.054 8.263 ( 0.000 0.759 -1.103) 1.339 8.385 ( 0.000 -0.740 -8.299) 8.332 8.475 ( 0.000 -0.036 2.714) 2.714 8.485 ( 0.000 0.755 -7.712) 7.749 8.584 ( 0.000 -0.911 1.509) 1.762 8.663 ( 0.000 -2.558 2.331) 3.461 8.711 ( 0.000 6.245 -0.945) 6.316 8.848 ( 0.000 0.764 -0.313) 0.825 8.997 ( 0.000 -0.388 -0.944) 1.021 9.089 ( 0.000 -2.101 -0.184) 2.109 9.117 ( 0.000 1.592 -4.968) 5.217 9.227 ( 0.000 0.048 -8.936) 8.936 9.830 ( 0.000 1.660 3.120) 3.534 9.883 ( 0.000 1.539 5.882) 6.080 9.893 ( 0.000 4.157 1.656) 4.474 9.980 ( 0.000 1.938 2.388) 3.075 10.139 ( 0.000 1.748 6.365) 6.600 10.201 ( 0.000 -0.672 4.149) 4.203 10.313 ( 0.000 3.050 -1.090) 3.239 10.453 ( 0.000 -3.254 -2.762) 4.268 10.526 ( 0.000 -1.308 -0.674) 1.471 10.598 ( 0.000 1.146 -1.255) 1.700 10.604 ( 0.000 -5.097 2.738) 5.786 10.703 ( 0.000 0.225 5.154) 5.159 10.733 ( 0.000 -1.003 -2.189) 2.408 10.958 ( 0.000 6.489 -1.720) 6.713 11.160 ( 0.000 1.054 -2.316) 2.545 11.167 ( 0.000 -7.023 7.034) 9.940 11.244 ( 0.000 -0.267 -2.720) 2.733 11.309 ( 0.000 -5.857 3.066) 6.611 11.411 ( 0.000 -4.547 4.213) 6.199 11.522 ( 0.000 -3.903 1.503) 4.182 12.626 ( 0.000 1.261 2.857) 3.123 12.755 ( 0.000 0.105 3.325) 3.327 12.775 ( 0.000 3.590 -1.693) 3.969 12.875 ( 0.000 1.756 0.973) 2.007 13.101 ( 0.000 3.975 2.397) 4.642 13.125 ( 0.000 4.942 2.999) 5.781 13.305 ( 0.000 7.396 -3.949) 8.384 13.307 ( 0.000 3.405 -2.385) 4.157 13.579 ( 0.000 0.120 1.488) 1.493 13.584 ( 0.000 0.218 2.184) 2.195 13.635 ( 0.000 -0.062 1.007) 1.009 13.830 ( 0.000 -4.163 4.817) 6.367 13.878 ( 0.000 -5.649 7.689) 9.541 13.968 ( 0.000 -6.605 -5.398) 8.530 14.061 ( 0.000 -3.407 3.990) 5.247 14.178 ( 0.000 1.113 -0.091) 1.117 14.399 ( 0.000 -3.438 -9.607) 10.203 14.465 ( 0.000 0.487 -4.397) 4.424 14.598 ( 0.000 1.635 -6.076) 6.292 14.710 ( 0.000 -1.691 -7.930) 8.108 14.810 ( 0.000 0.826 -1.165) 1.428 14.836 ( 0.000 -0.049 -5.812) 5.812 14.914 ( 0.000 5.056 -2.835) 5.796 15.045 ( 0.000 1.066 -10.103) 10.159 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.20 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 9.603 -5.431 -3.654) 11.622 2.060 ( 13.430 1.073 0.970) 13.508 2.498 ( -5.370 -2.942 8.782) 10.706 2.558 ( -0.157 -8.802 7.709) 11.702 2.656 ( 3.125 -7.276 7.971) 11.236 2.842 ( -0.431 -9.416 3.401) 10.020 2.949 ( -0.561 -2.940 -2.180) 3.703 3.092 ( -2.537 -5.687 -2.884) 6.863 3.171 ( 1.331 2.826 8.720) 9.262 3.319 ( 7.728 7.678 17.383) 20.514 3.957 ( -22.275 7.427 18.693) 30.013 3.989 ( 2.760 5.930 -1.245) 6.658 4.179 ( -9.627 -1.562 11.333) 14.952 4.517 ( 5.215 0.694 28.995) 29.468 4.582 ( 3.457 2.529 18.492) 18.981 4.615 ( 0.548 -3.870 11.627) 12.266 4.684 ( 6.238 -0.737 2.758) 6.860 4.769 ( 7.011 -2.132 10.331) 12.666 4.836 ( -2.332 -5.825 1.193) 6.386 4.853 ( -0.449 -1.607 8.498) 8.660 5.013 ( 6.111 0.889 4.759) 7.796 5.114 ( 7.811 -0.723 7.720) 11.006 5.177 ( -3.132 1.612 3.022) 4.642 5.300 ( -6.063 4.393 -6.507) 9.920 5.339 ( -1.728 -1.857 9.292) 9.632 5.455 ( -0.971 3.478 -4.478) 5.753 5.573 ( 0.364 5.323 4.307) 6.857 5.615 ( 4.550 0.060 -6.509) 7.942 5.774 ( -1.926 1.915 0.598) 2.781 5.801 ( 2.515 -3.009 -6.199) 7.335 5.864 ( -8.981 2.939 1.857) 9.630 5.929 ( -5.674 1.157 1.482) 5.977 5.975 ( -3.629 -1.784 7.956) 8.924 6.103 ( 7.334 -4.507 -7.982) 11.739 6.149 ( 2.946 2.113 4.787) 6.005 6.163 ( -2.467 0.947 6.976) 7.460 6.245 ( -7.358 5.309 5.121) 10.419 6.271 ( 0.367 4.493 0.066) 4.508 6.332 ( 0.389 4.730 -7.463) 8.845 6.369 ( -3.749 -5.436 -2.423) 7.034 6.447 ( -2.822 -2.574 -0.330) 3.834 6.614 ( 3.587 -2.080 -0.771) 4.218 6.625 ( 7.420 1.925 0.878) 7.716 6.701 ( 2.552 0.321 -1.167) 2.824 6.755 ( 1.605 -2.085 -0.757) 2.738 6.843 ( -3.522 2.997 -2.852) 5.433 6.886 ( -0.033 -4.428 1.768) 4.768 6.982 ( -6.147 3.109 0.058) 6.888 7.029 ( 1.229 -2.832 -5.360) 6.185 7.080 ( 3.655 -0.387 -8.904) 9.633 7.138 ( 0.108 3.113 -3.533) 4.710 7.242 ( 0.404 4.970 -3.666) 6.190 7.330 ( -1.410 0.892 -6.290) 6.507 7.416 ( 1.595 -3.973 5.475) 6.950 7.451 ( 6.226 -0.670 0.021) 6.262 7.527 ( -1.645 1.351 -3.309) 3.934 7.587 ( -3.741 -2.021 -0.133) 4.254 7.651 ( -4.043 -3.164 -9.417) 10.725 7.738 ( -9.310 -0.706 2.196) 9.592 7.783 ( -1.409 1.007 -1.318) 2.176 7.907 ( -1.599 0.660 -7.420) 7.619 7.974 ( -3.194 -2.302 -4.920) 6.301 8.115 ( 6.764 1.109 -6.333) 9.332 8.222 ( 3.133 -0.321 1.010) 3.308 8.284 ( 4.324 1.199 -0.986) 4.594 8.387 ( 0.781 -1.658 -3.433) 3.892 8.485 ( 0.889 0.746 1.910) 2.234 8.530 ( 3.632 -0.235 -5.617) 6.693 8.617 ( 1.515 -0.751 -1.872) 2.523 8.667 ( 1.853 -0.896 1.949) 2.834 8.708 ( 0.059 3.834 0.157) 3.838 8.871 ( 2.243 0.420 0.489) 2.334 9.001 ( 0.245 -1.485 -0.395) 1.556 9.084 ( -0.804 -2.172 -0.942) 2.500 9.086 ( -3.249 2.225 -4.375) 5.886 9.175 ( -4.579 0.951 -6.425) 7.947 9.841 ( 1.353 1.488 3.876) 4.367 9.886 ( 0.403 3.251 2.106) 3.895 9.918 ( 1.996 0.854 4.058) 4.602 9.973 ( -0.817 2.155 2.166) 3.163 10.111 ( -2.000 1.580 5.979) 6.500 10.195 ( -1.314 -0.892 5.504) 5.729 10.317 ( 0.602 2.655 -0.686) 2.807 10.472 ( 0.159 -1.826 -2.089) 2.779 10.493 ( -1.820 -1.659 0.338) 2.486 10.597 ( 1.334 1.398 -2.905) 3.489 10.610 ( 0.139 -3.592 2.455) 4.353 10.735 ( 3.229 -0.811 2.949) 4.448 10.773 ( 2.999 0.233 -1.949) 3.584 10.955 ( -0.094 4.426 -0.513) 4.456 11.105 ( -3.179 0.071 -0.104) 3.181 11.203 ( -2.726 -1.267 -0.833) 3.119 11.240 ( 3.769 -3.582 2.359) 5.709 11.321 ( 1.237 -5.752 3.019) 6.613 11.408 ( -0.434 -4.344 3.906) 5.858 11.500 ( -2.430 -3.568 1.546) 4.586 12.648 ( 2.363 1.111 2.624) 3.702 12.757 ( 0.227 0.518 2.768) 2.825 12.773 ( -0.242 3.244 -1.204) 3.469 12.851 ( -2.621 1.482 1.098) 3.205 13.101 ( 0.124 4.330 2.512) 5.007 13.123 ( -0.272 4.991 2.963) 5.811 13.300 ( -0.368 6.180 -3.350) 7.039 13.306 ( -0.188 4.142 -2.569) 4.878 13.580 ( -0.125 0.485 1.301) 1.394 13.582 ( -0.233 0.103 2.190) 2.205 13.668 ( 3.585 -1.090 1.143) 3.917 13.848 ( 2.097 -2.971 4.906) 6.107 13.857 ( -2.082 -6.238 4.412) 7.919 14.003 ( 3.497 -3.717 2.093) 5.516 14.069 ( -0.471 -1.294 -1.764) 2.238 14.188 ( 1.704 -4.033 0.541) 4.412 14.397 ( 0.087 -5.715 -9.421) 11.019 14.450 ( -1.523 2.290 -3.699) 4.609 14.607 ( 0.367 -0.262 -5.992) 6.009 14.711 ( -2.642 -2.397 -3.227) 4.811 14.743 ( -1.603 1.064 -7.273) 7.523 14.863 ( 0.248 2.512 -3.827) 4.585 14.892 ( -1.114 5.348 -4.544) 7.105 15.039 ( -1.047 1.114 -9.245) 9.370 ======================= Grid point 112 (42/60) ======================= q-point: ( 0.40 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 13.520 -4.633 -0.313) 14.295 2.276 ( -4.435 -5.591 2.173) 7.460 2.377 ( 5.886 -7.125 -2.822) 9.663 2.526 ( -4.963 -16.886 -0.629) 17.612 2.751 ( 6.598 -2.305 5.587) 8.948 2.856 ( -1.971 -7.256 1.028) 7.589 2.926 ( 1.550 -4.688 3.075) 5.817 3.014 ( -5.428 -2.781 0.424) 6.113 3.266 ( 9.708 5.933 16.688) 20.197 3.504 ( 3.061 7.593 18.500) 20.230 3.562 ( -9.100 9.432 22.938) 26.418 3.815 ( -16.797 5.652 19.537) 26.378 4.281 ( 14.937 4.186 -7.813) 17.369 4.562 ( -12.183 -0.271 -3.442) 12.663 4.595 ( 2.961 -9.850 14.561) 17.827 4.625 ( -0.360 -5.805 12.725) 13.992 4.681 ( 0.887 -6.294 1.524) 6.537 4.764 ( -5.347 -7.210 3.148) 9.512 4.875 ( 10.694 7.368 11.744) 17.509 4.965 ( 8.137 -1.507 13.764) 16.060 5.088 ( -5.720 2.044 1.334) 6.219 5.152 ( -5.656 4.379 8.355) 10.999 5.197 ( 9.210 2.594 8.020) 12.485 5.304 ( 2.059 -1.424 7.385) 7.798 5.330 ( 4.806 3.477 14.993) 16.124 5.437 ( 0.453 5.154 3.612) 6.310 5.569 ( -2.588 3.448 -0.018) 4.311 5.623 ( -11.660 -1.820 11.544) 16.508 5.696 ( 1.350 3.614 1.315) 4.076 5.727 ( -2.862 10.954 -1.803) 11.465 5.785 ( -2.455 1.503 1.375) 3.190 5.851 ( -4.709 -2.012 4.703) 6.953 5.946 ( 5.231 -0.221 -3.730) 6.428 6.076 ( -5.871 3.769 1.292) 7.096 6.160 ( 1.046 -1.603 -1.278) 2.302 6.185 ( 0.069 0.665 -1.132) 1.314 6.226 ( 0.752 -0.924 -1.239) 1.719 6.278 ( -3.440 -1.109 -0.597) 3.663 6.359 ( 10.645 -1.316 -1.499) 10.830 6.402 ( 1.762 -1.180 -4.468) 4.946 6.437 ( 1.471 -2.101 -7.719) 8.134 6.562 ( -8.716 -4.343 -2.501) 10.054 6.702 ( 2.659 2.040 2.098) 3.954 6.750 ( -1.489 3.948 0.082) 4.220 6.775 ( 3.418 -2.511 0.980) 4.353 6.832 ( -1.831 -1.575 -3.396) 4.167 6.933 ( 5.514 0.154 -1.867) 5.824 6.961 ( 5.747 5.619 1.219) 8.130 7.018 ( -3.144 -1.982 -4.797) 6.069 7.073 ( -3.741 5.175 -1.511) 6.562 7.156 ( 1.075 -3.527 -7.556) 8.407 7.227 ( -5.376 -2.078 -4.712) 7.445 7.315 ( 2.091 2.173 -3.850) 4.891 7.369 ( 3.408 -0.427 -3.165) 4.671 7.420 ( -4.701 -1.906 -7.849) 9.346 7.504 ( -7.639 -1.446 0.111) 7.775 7.605 ( -1.454 -4.430 -3.337) 5.734 7.617 ( -1.532 -3.563 -4.548) 5.977 7.698 ( 9.195 1.104 -0.282) 9.265 7.764 ( -0.008 1.668 -7.710) 7.888 7.861 ( -2.177 4.386 -2.427) 5.465 7.900 ( -4.781 0.739 -1.327) 5.017 8.223 ( 3.704 -0.545 -5.295) 6.484 8.250 ( 0.532 -1.856 -1.207) 2.277 8.360 ( 3.579 2.311 -1.776) 4.615 8.407 ( -0.290 -0.583 1.200) 1.365 8.508 ( 2.088 0.252 -1.196) 2.419 8.553 ( -1.770 -1.660 -2.105) 3.212 8.642 ( 2.545 0.970 -2.367) 3.608 8.681 ( -1.167 -0.941 -3.648) 3.944 8.777 ( 6.949 1.344 4.850) 8.580 8.891 ( -2.822 0.005 6.735) 7.302 8.986 ( -0.527 -0.243 -8.488) 8.508 9.022 ( -2.986 -1.751 -5.266) 6.302 9.073 ( 0.808 0.321 0.442) 0.975 9.109 ( -2.635 0.902 -0.690) 2.870 9.878 ( 2.448 0.910 4.013) 4.788 9.900 ( 0.723 1.901 2.718) 3.394 9.934 ( -0.268 1.427 2.657) 3.028 9.950 ( -1.649 2.267 1.839) 3.353 10.102 ( 1.531 0.573 6.203) 6.415 10.151 ( -3.143 -0.798 6.132) 6.937 10.343 ( 2.413 2.072 0.057) 3.181 10.404 ( -4.159 1.158 0.378) 4.334 10.530 ( 2.875 -3.250 -0.011) 4.339 10.579 ( -2.298 -3.351 1.451) 4.315 10.669 ( 4.784 3.580 -3.951) 7.163 10.745 ( -2.706 2.649 -3.671) 5.273 10.855 ( 5.751 -2.012 1.796) 6.352 10.942 ( -2.735 -2.051 2.079) 4.001 11.071 ( 0.833 3.496 -2.018) 4.122 11.129 ( -4.413 1.532 -1.630) 4.948 11.323 ( 4.186 -5.284 3.845) 7.761 11.346 ( 1.116 -5.896 3.217) 6.808 11.398 ( -0.134 -3.441 2.919) 4.514 11.440 ( -3.865 -3.016 1.631) 5.166 12.707 ( 3.919 0.849 2.048) 4.502 12.761 ( -0.105 1.517 1.292) 1.995 12.767 ( -0.357 2.057 0.298) 2.109 12.789 ( -3.644 1.466 1.398) 4.170 13.106 ( 0.438 4.859 2.705) 5.579 13.115 ( -0.491 5.049 2.862) 5.825 13.297 ( 0.061 5.238 -2.863) 5.969 13.301 ( -0.334 4.439 -2.602) 5.156 13.577 ( -0.104 0.221 1.659) 1.677 13.578 ( -0.177 -0.016 2.058) 2.066 13.744 ( 4.158 -3.194 1.558) 5.470 13.810 ( -3.051 -5.333 2.724) 6.721 13.909 ( 4.488 0.184 4.245) 6.180 13.997 ( -4.479 2.887 4.690) 7.099 14.113 ( 5.767 -4.980 -2.715) 8.089 14.201 ( -2.292 -6.865 -0.768) 7.278 14.411 ( 1.439 -8.000 -6.701) 10.535 14.430 ( -0.489 -4.311 -3.491) 5.569 14.589 ( -0.282 0.024 -7.156) 7.161 14.642 ( -4.671 1.209 -3.712) 6.087 14.759 ( 3.053 4.139 -5.858) 7.796 14.825 ( -3.516 3.895 -3.973) 6.582 14.928 ( 3.922 3.107 -7.031) 8.629 14.999 ( -3.370 1.652 -8.047) 8.879 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 -0.392 -3.585) 3.606 2.043 ( 0.000 7.724 -3.436) 8.454 2.146 ( 0.000 -23.525 4.356) 23.925 2.538 ( 0.000 -13.925 3.374) 14.328 2.628 ( 0.000 2.558 4.721) 5.370 2.683 ( 0.000 3.289 6.807) 7.560 2.890 ( 0.000 -11.305 0.859) 11.337 2.919 ( 0.000 -3.758 -5.917) 7.010 3.343 ( 0.000 15.681 10.694) 18.980 3.433 ( 0.000 12.472 17.739) 21.684 4.013 ( 0.000 -14.005 15.236) 20.695 4.132 ( 0.000 11.029 -5.662) 12.397 4.200 ( 0.000 -23.152 8.734) 24.744 4.502 ( 0.000 6.652 14.667) 16.105 4.515 ( 0.000 4.809 15.120) 15.866 4.604 ( 0.000 -3.871 8.776) 9.591 4.689 ( 0.000 -5.222 0.712) 5.271 4.769 ( 0.000 6.025 20.323) 21.198 4.783 ( 0.000 -1.465 24.253) 24.297 4.937 ( 0.000 21.119 29.576) 36.342 5.021 ( 0.000 -1.690 -5.092) 5.365 5.059 ( 0.000 10.110 1.556) 10.229 5.132 ( 0.000 -5.761 10.693) 12.146 5.354 ( 0.000 -2.206 4.737) 5.226 5.380 ( 0.000 -3.451 1.569) 3.791 5.464 ( 0.000 0.707 -10.143) 10.167 5.552 ( 0.000 -2.148 -8.804) 9.062 5.657 ( 0.000 -1.529 4.008) 4.290 5.686 ( 0.000 -7.054 -6.196) 9.389 5.757 ( 0.000 7.580 -2.938) 8.130 5.938 ( 0.000 -5.077 1.008) 5.176 5.975 ( 0.000 3.487 -2.119) 4.081 6.018 ( 0.000 -2.124 5.153) 5.574 6.049 ( 0.000 3.920 3.447) 5.220 6.061 ( 0.000 -3.766 3.546) 5.172 6.219 ( 0.000 -4.340 -1.804) 4.700 6.295 ( 0.000 -4.194 -5.863) 7.209 6.372 ( 0.000 -2.427 0.837) 2.567 6.387 ( 0.000 -0.711 -4.611) 4.666 6.410 ( 0.000 12.451 0.736) 12.473 6.523 ( 0.000 -1.258 2.505) 2.803 6.563 ( 0.000 -1.475 2.588) 2.978 6.628 ( 0.000 2.002 0.379) 2.038 6.646 ( 0.000 -1.514 -4.409) 4.662 6.711 ( 0.000 3.376 -1.927) 3.887 6.805 ( 0.000 5.480 -7.842) 9.567 6.860 ( 0.000 -3.602 -1.070) 3.757 7.011 ( 0.000 3.418 -5.928) 6.843 7.052 ( 0.000 -1.594 8.894) 9.035 7.185 ( 0.000 3.915 -7.841) 8.764 7.204 ( 0.000 4.048 -4.265) 5.880 7.279 ( 0.000 -4.831 -7.241) 8.704 7.299 ( 0.000 2.508 -1.201) 2.780 7.383 ( 0.000 -1.084 0.990) 1.468 7.416 ( 0.000 6.222 2.139) 6.579 7.550 ( 0.000 1.288 -1.771) 2.190 7.567 ( 0.000 -5.448 -4.448) 7.033 7.649 ( 0.000 -4.768 8.654) 9.880 7.785 ( 0.000 2.258 -14.010) 14.191 7.860 ( 0.000 -2.623 -10.013) 10.351 7.870 ( 0.000 -1.288 0.014) 1.289 7.928 ( 0.000 -4.256 -5.168) 6.695 8.099 ( 0.000 2.096 0.876) 2.272 8.143 ( 0.000 -0.093 4.068) 4.069 8.299 ( 0.000 3.222 -1.177) 3.430 8.391 ( 0.000 0.793 -4.804) 4.869 8.477 ( 0.000 -1.268 -7.795) 7.897 8.479 ( 0.000 0.154 -1.377) 1.386 8.561 ( 0.000 -1.253 4.407) 4.581 8.603 ( 0.000 -3.383 5.269) 6.261 8.832 ( 0.000 5.915 -0.252) 5.921 8.882 ( 0.000 2.825 -1.005) 2.999 8.975 ( 0.000 -1.886 -1.409) 2.354 9.032 ( 0.000 -3.863 -2.326) 4.509 9.160 ( 0.000 2.687 -4.428) 5.179 9.225 ( 0.000 -0.455 -6.884) 6.899 9.892 ( 0.000 4.669 5.374) 7.119 9.926 ( 0.000 2.879 5.104) 5.860 9.965 ( 0.000 2.785 2.922) 4.037 10.010 ( 0.000 0.557 3.161) 3.210 10.172 ( 0.000 1.179 4.358) 4.515 10.189 ( 0.000 -0.581 5.510) 5.541 10.369 ( 0.000 2.467 -0.555) 2.528 10.396 ( 0.000 -1.641 0.287) 1.666 10.515 ( 0.000 -0.407 0.240) 0.473 10.526 ( 0.000 -3.214 2.822) 4.277 10.599 ( 0.000 -0.442 -1.307) 1.380 10.691 ( 0.000 -3.194 -2.638) 4.142 10.731 ( 0.000 3.250 3.954) 5.118 11.003 ( 0.000 -9.528 5.959) 11.238 11.077 ( 0.000 6.051 1.626) 6.266 11.178 ( 0.000 -0.096 -3.363) 3.364 11.200 ( 0.000 -4.456 2.954) 5.346 11.259 ( 0.000 2.854 -2.718) 3.941 11.308 ( 0.000 -6.147 4.310) 7.508 11.438 ( 0.000 -4.973 -1.308) 5.142 12.666 ( 0.000 2.812 3.499) 4.488 12.749 ( 0.000 -0.874 3.743) 3.844 12.851 ( 0.000 3.938 -1.526) 4.223 12.906 ( 0.000 1.114 0.094) 1.118 13.205 ( 0.000 6.634 2.981) 7.273 13.248 ( 0.000 7.324 2.165) 7.637 13.379 ( 0.000 3.547 -1.237) 3.756 13.419 ( 0.000 3.746 -2.421) 4.460 13.567 ( 0.000 -2.035 2.438) 3.176 13.602 ( 0.000 1.405 1.290) 1.907 13.656 ( 0.000 2.493 -0.790) 2.616 13.713 ( 0.000 -7.705 2.027) 7.967 13.775 ( 0.000 -3.427 5.946) 6.863 13.866 ( 0.000 -3.748 -1.294) 3.965 13.981 ( 0.000 -4.401 1.745) 4.735 14.095 ( 0.000 -8.848 -1.981) 9.067 14.393 ( 0.000 2.398 -6.688) 7.105 14.468 ( 0.000 -0.471 -4.046) 4.073 14.632 ( 0.000 1.869 -6.950) 7.197 14.686 ( 0.000 -1.072 -7.837) 7.910 14.828 ( 0.000 0.883 -3.268) 3.386 14.837 ( 0.000 0.148 -5.812) 5.814 14.999 ( 0.000 3.782 -5.797) 6.921 15.061 ( 0.000 0.318 -8.982) 8.988 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.20 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 9.016 -1.300 -2.916) 9.565 2.097 ( 5.289 4.028 -3.750) 7.633 2.165 ( 1.718 -21.337 3.096) 21.629 2.473 ( -9.464 -7.003 -1.168) 11.831 2.563 ( -0.305 -7.116 7.223) 10.144 2.749 ( 1.646 0.376 4.464) 4.773 2.826 ( -1.904 -6.252 3.753) 7.536 2.999 ( 4.102 -3.339 -8.372) 9.903 3.349 ( 2.025 15.454 14.608) 21.362 3.485 ( 5.761 9.934 18.486) 21.762 3.979 ( -4.251 -10.944 15.003) 19.051 4.142 ( -19.564 9.764 16.343) 27.298 4.191 ( 5.615 4.851 -3.602) 8.249 4.245 ( 3.194 -15.130 11.152) 19.065 4.544 ( -3.912 -6.272 8.305) 11.118 4.618 ( -5.937 -0.217 18.701) 19.622 4.679 ( -2.502 -6.140 -0.972) 6.701 4.749 ( -1.893 0.502 22.334) 22.420 4.847 ( 8.244 4.102 11.024) 14.364 5.001 ( 2.253 0.613 -2.770) 3.623 5.058 ( 8.706 19.432 25.702) 33.376 5.119 ( 3.873 -0.735 8.693) 9.545 5.177 ( 5.743 3.602 1.713) 6.992 5.334 ( -1.386 0.715 3.901) 4.201 5.376 ( -2.671 2.731 -8.692) 9.494 5.487 ( 3.728 -3.220 -0.852) 4.999 5.611 ( 2.642 -3.240 -1.876) 4.582 5.647 ( -0.661 -0.394 -2.021) 2.162 5.668 ( 3.273 4.964 7.103) 9.263 5.816 ( -0.267 -2.365 -3.344) 4.105 5.890 ( -1.201 -4.840 -2.609) 5.628 5.953 ( -4.795 0.097 3.828) 6.137 5.974 ( -3.112 0.865 2.372) 4.007 6.030 ( -2.834 -0.971 2.992) 4.234 6.106 ( 5.734 -4.960 3.213) 8.234 6.206 ( -4.000 -3.974 -0.922) 5.713 6.262 ( -1.212 5.146 -0.229) 5.292 6.282 ( -2.013 0.018 -0.811) 2.171 6.365 ( 1.338 3.211 -6.964) 7.785 6.448 ( -6.744 3.521 1.079) 7.684 6.483 ( 0.290 0.546 -2.982) 3.045 6.615 ( 0.056 4.985 2.119) 5.418 6.645 ( 0.993 -1.827 2.727) 3.430 6.704 ( 0.278 -3.084 -2.508) 3.985 6.745 ( 3.857 3.884 -3.441) 6.466 6.771 ( 6.586 -0.589 0.791) 6.660 6.881 ( -0.487 -0.356 -2.999) 3.059 6.951 ( -0.923 -3.112 -5.127) 6.068 7.057 ( -5.345 2.487 0.343) 5.905 7.106 ( -0.844 2.333 -4.440) 5.086 7.202 ( -6.262 -0.290 -4.348) 7.629 7.262 ( 1.367 -1.782 -6.817) 7.177 7.316 ( -0.030 1.441 -1.929) 2.408 7.383 ( -1.079 -0.294 -2.593) 2.823 7.432 ( 0.998 -0.976 -6.324) 6.476 7.534 ( -1.357 -4.508 -0.619) 4.748 7.592 ( 0.159 3.404 0.150) 3.411 7.627 ( 1.585 2.733 0.221) 3.168 7.721 ( -8.787 -0.685 -1.572) 8.953 7.793 ( -1.980 -0.421 -6.252) 6.572 7.898 ( 1.758 -1.330 -6.682) 7.036 7.919 ( -0.326 -3.185 -4.672) 5.664 8.145 ( 5.104 1.970 -0.823) 5.533 8.220 ( 2.680 -0.423 1.937) 3.334 8.304 ( 3.157 1.570 -1.833) 3.974 8.377 ( -0.683 -0.089 -1.012) 1.224 8.486 ( 0.751 -0.160 1.067) 1.315 8.519 ( 2.542 -0.570 -4.875) 5.527 8.589 ( 2.993 -2.379 -0.503) 3.856 8.636 ( 3.564 -1.277 0.957) 3.904 8.804 ( -2.423 5.149 0.819) 5.750 8.890 ( 0.602 1.568 0.465) 1.743 8.964 ( -0.944 -2.434 -1.119) 2.841 9.034 ( 0.149 -2.840 -3.157) 4.250 9.137 ( -2.941 2.713 -3.477) 5.301 9.188 ( -3.534 0.238 -4.988) 6.118 9.888 ( -0.115 3.119 5.692) 6.492 9.937 ( 1.113 2.133 4.000) 4.668 9.953 ( -0.891 2.466 3.545) 4.410 10.004 ( -0.722 0.566 2.405) 2.574 10.149 ( -1.807 1.933 5.026) 5.680 10.179 ( -1.335 -0.646 5.776) 5.964 10.363 ( 0.075 1.798 0.612) 1.901 10.427 ( 2.454 -1.251 -0.230) 2.764 10.481 ( -3.030 -0.994 1.441) 3.499 10.532 ( 0.436 -3.514 2.286) 4.215 10.638 ( 4.563 2.000 -3.461) 6.066 10.743 ( 1.694 1.378 -0.143) 2.189 10.757 ( 4.540 -0.644 0.579) 4.622 11.026 ( 0.442 -4.455 5.986) 7.475 11.048 ( -1.154 0.538 2.619) 2.912 11.166 ( -0.938 -0.375 -2.646) 2.832 11.215 ( 1.374 -4.090 3.105) 5.316 11.244 ( -1.167 2.746 -3.300) 4.448 11.311 ( 0.201 -5.582 3.507) 6.595 11.419 ( -2.121 -4.857 -1.308) 5.459 12.683 ( 1.807 2.313 3.223) 4.359 12.761 ( 1.216 -0.241 3.176) 3.409 12.837 ( -1.527 3.003 -0.743) 3.450 12.881 ( -2.491 1.507 0.189) 2.917 13.211 ( 0.660 6.872 2.929) 7.499 13.247 ( -0.164 7.466 2.272) 7.806 13.378 ( 0.017 3.231 -1.256) 3.466 13.410 ( -0.758 4.138 -1.763) 4.561 13.583 ( 0.539 -0.790 1.800) 2.038 13.608 ( 0.693 2.166 0.811) 2.415 13.633 ( -0.668 -2.025 1.601) 2.666 13.719 ( -0.450 -7.157 1.266) 7.282 13.807 ( 4.190 -0.586 3.882) 5.742 13.916 ( 4.795 -4.324 -0.582) 6.482 14.005 ( 2.272 -4.356 1.885) 5.262 14.092 ( -0.428 -7.829 -0.728) 7.874 14.314 ( -5.587 -1.310 -7.518) 9.458 14.481 ( -3.026 0.437 -5.022) 5.880 14.614 ( -1.308 0.985 -7.604) 7.779 14.682 ( -1.581 -0.962 -4.344) 4.721 14.765 ( 1.009 1.010 -6.358) 6.516 14.904 ( 1.528 1.646 -4.478) 5.010 14.979 ( -1.256 3.627 -6.496) 7.545 15.058 ( -0.689 0.670 -8.338) 8.393 ======================= Grid point 117 (45/60) ======================= q-point: ( 0.40 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 13.058 -3.357 -1.036) 13.523 2.159 ( -3.944 -9.406 1.005) 10.249 2.203 ( 3.991 -7.763 -4.302) 9.731 2.287 ( -8.159 -5.962 -2.962) 10.530 2.584 ( 3.074 -11.246 6.291) 13.247 2.677 ( -6.270 -10.327 4.794) 12.998 2.897 ( 6.601 1.290 -0.217) 6.729 3.003 ( -3.856 -0.047 -6.826) 7.840 3.472 ( 11.820 14.922 18.683) 26.672 3.631 ( 8.027 5.295 17.824) 20.252 3.781 ( -16.168 13.665 20.015) 29.133 3.850 ( -10.034 -2.233 17.433) 20.238 4.314 ( 6.144 -14.390 11.221) 19.254 4.358 ( 7.075 0.455 -2.257) 7.440 4.457 ( -3.863 -10.021 12.440) 16.434 4.541 ( -3.409 -1.592 12.354) 12.915 4.609 ( -3.254 -2.629 3.256) 5.301 4.664 ( -5.900 -4.669 17.376) 18.935 4.949 ( 5.174 3.888 -5.663) 8.599 5.038 ( -2.725 -1.239 -2.297) 3.773 5.161 ( 4.694 5.243 5.158) 8.725 5.223 ( 2.142 6.867 4.552) 8.513 5.309 ( 3.334 7.172 5.719) 9.760 5.357 ( 11.189 8.608 17.338) 22.359 5.391 ( 3.049 2.667 2.947) 5.009 5.517 ( 1.539 3.562 4.591) 6.011 5.578 ( -7.349 -2.580 -2.154) 8.081 5.628 ( -6.296 4.388 8.652) 11.565 5.676 ( 2.127 -6.377 2.426) 7.146 5.796 ( 0.899 3.435 6.743) 7.621 5.842 ( -10.355 -4.298 6.200) 12.812 5.872 ( -5.098 2.793 0.551) 5.839 5.971 ( 8.978 3.544 -2.424) 9.952 6.046 ( 3.617 -3.611 1.632) 5.365 6.133 ( -1.261 -1.915 -0.250) 2.307 6.154 ( 2.235 0.150 1.635) 2.773 6.257 ( -5.089 1.133 -0.984) 5.305 6.289 ( -4.226 -1.767 0.374) 4.595 6.356 ( 5.760 -2.180 -4.313) 7.519 6.429 ( 1.882 6.512 -4.023) 7.883 6.465 ( -0.400 2.063 -5.441) 5.833 6.545 ( -5.681 6.297 0.219) 8.484 6.663 ( 1.993 -8.151 1.095) 8.462 6.716 ( -2.262 -6.909 -6.954) 10.061 6.762 ( 3.154 3.632 3.734) 6.089 6.842 ( -3.127 1.815 -1.724) 4.006 6.926 ( 5.445 -0.634 0.282) 5.489 6.965 ( 0.339 -2.307 -8.061) 8.391 7.032 ( 0.345 -2.341 2.099) 3.163 7.054 ( -4.531 -4.152 -5.639) 8.341 7.131 ( 3.402 2.584 2.307) 4.855 7.257 ( -6.513 4.641 -3.519) 8.737 7.306 ( 3.444 -1.790 -7.071) 8.067 7.357 ( -1.067 -1.693 -5.546) 5.896 7.444 ( 1.616 3.644 -8.766) 9.630 7.511 ( -1.946 -5.189 -3.971) 6.818 7.531 ( -3.645 2.909 -5.526) 7.231 7.558 ( -6.455 -1.953 -2.225) 7.101 7.727 ( 4.868 1.638 -3.643) 6.297 7.775 ( -0.935 -0.576 -6.864) 6.952 7.913 ( 0.885 1.583 -2.554) 3.132 7.926 ( -0.096 1.444 -0.706) 1.611 8.216 ( 1.603 -0.181 -1.324) 2.087 8.228 ( 0.018 -0.684 1.618) 1.757 8.385 ( 2.771 -1.186 0.306) 3.029 8.390 ( 2.240 0.830 -0.135) 2.393 8.501 ( 0.924 -0.631 -0.021) 1.119 8.525 ( -1.276 -1.334 -1.123) 2.160 8.659 ( 2.861 0.728 -4.542) 5.417 8.683 ( 0.197 1.005 -6.377) 6.459 8.801 ( 3.983 1.154 6.216) 7.473 8.880 ( -2.441 -1.155 6.262) 6.820 8.960 ( 0.986 -1.856 -4.532) 4.995 9.015 ( -4.137 0.432 -10.177) 10.995 9.080 ( 0.233 0.485 2.725) 2.777 9.124 ( -3.322 0.629 -1.526) 3.709 9.901 ( 1.619 1.293 5.307) 5.697 9.934 ( -1.513 1.394 4.643) 5.078 9.960 ( 1.356 1.280 2.292) 2.955 9.985 ( -1.301 0.855 1.851) 2.419 10.129 ( 0.015 2.026 5.843) 6.185 10.148 ( -1.742 0.784 6.133) 6.423 10.378 ( 1.607 1.232 1.408) 2.467 10.418 ( -2.619 -0.162 1.354) 2.953 10.485 ( 2.633 -1.282 0.965) 3.083 10.524 ( -1.445 -2.382 1.464) 3.147 10.726 ( 4.265 2.139 -5.127) 7.004 10.769 ( 0.008 0.709 -3.589) 3.658 10.837 ( 4.947 0.479 2.829) 5.718 10.943 ( -6.137 1.662 4.185) 7.612 11.101 ( 3.322 -2.460 2.724) 4.951 11.146 ( -1.596 0.098 0.754) 1.768 11.236 ( 0.527 -1.213 -1.956) 2.361 11.239 ( 0.824 -4.040 2.847) 5.010 11.319 ( 1.134 -4.639 0.917) 4.863 11.365 ( -3.464 -4.554 -1.152) 5.836 12.730 ( 3.321 1.358 2.459) 4.349 12.790 ( 1.239 1.283 1.489) 2.323 12.794 ( -2.528 0.993 1.495) 3.100 12.831 ( -2.604 2.337 0.434) 3.526 13.226 ( 0.898 7.339 2.763) 7.893 13.240 ( -0.579 7.574 2.522) 8.004 13.382 ( 0.505 3.413 -1.230) 3.663 13.395 ( -0.843 4.086 -1.288) 4.366 13.585 ( 0.106 0.445 1.726) 1.785 13.594 ( -0.976 1.266 1.273) 2.044 13.664 ( 2.277 -4.409 1.984) 5.345 13.699 ( -1.554 -5.691 1.638) 6.122 13.912 ( 6.450 0.252 0.790) 6.503 13.991 ( 0.112 -4.932 -3.579) 6.095 14.049 ( 3.127 -0.391 7.270) 7.923 14.082 ( -0.400 -5.068 2.389) 5.617 14.245 ( -0.341 -7.194 -10.045) 12.360 14.341 ( -9.346 -4.565 -5.858) 11.937 14.616 ( 1.741 1.635 -7.601) 7.968 14.658 ( -2.078 0.536 -5.914) 6.291 14.820 ( 4.022 2.308 -5.377) 7.101 14.887 ( -2.882 2.443 -4.353) 5.764 14.985 ( 1.962 2.568 -6.918) 7.635 15.030 ( -2.357 1.340 -7.502) 7.977 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 0.000 -13.409 -0.075) 13.409 1.785 ( 0.000 13.409 -0.075) 13.409 2.245 ( 0.000 -14.154 -2.958) 14.460 2.245 ( 0.000 14.154 -2.958) 14.460 2.704 ( 0.000 -4.939 1.665) 5.212 2.704 ( 0.000 4.939 1.665) 5.212 2.820 ( 0.000 -5.858 0.858) 5.921 2.820 ( 0.000 5.858 0.858) 5.921 3.669 ( 0.000 -0.509 17.574) 17.582 3.669 ( 0.000 0.509 17.574) 17.582 3.775 ( 0.000 -8.546 12.241) 14.929 3.775 ( 0.000 8.546 12.241) 14.929 4.385 ( 0.000 -13.596 -3.903) 14.145 4.385 ( 0.000 13.596 -3.903) 14.145 4.571 ( 0.000 -0.410 11.305) 11.312 4.571 ( 0.000 0.410 11.305) 11.312 4.726 ( 0.000 -5.031 22.323) 22.883 4.726 ( 0.000 5.031 22.323) 22.883 4.898 ( 0.000 -7.800 13.330) 15.445 4.898 ( 0.000 7.800 13.330) 15.445 5.145 ( 0.000 -2.390 -9.221) 9.525 5.145 ( 0.000 2.390 -9.221) 9.525 5.261 ( 0.000 -6.010 13.826) 15.076 5.261 ( 0.000 6.010 13.826) 15.076 5.443 ( 0.000 -17.377 13.178) 21.809 5.443 ( 0.000 17.377 13.178) 21.809 5.505 ( 0.000 -1.840 -7.545) 7.766 5.505 ( 0.000 1.840 -7.545) 7.766 5.734 ( 0.000 -10.631 -2.283) 10.873 5.734 ( 0.000 10.631 -2.283) 10.873 5.926 ( 0.000 -7.381 9.214) 11.806 5.926 ( 0.000 7.381 9.214) 11.806 6.054 ( 0.000 -2.137 -0.962) 2.343 6.054 ( 0.000 2.137 -0.962) 2.343 6.112 ( 0.000 -3.496 -3.321) 4.821 6.112 ( 0.000 3.496 -3.321) 4.821 6.302 ( 0.000 -1.449 -3.620) 3.900 6.302 ( 0.000 1.449 -3.620) 3.900 6.414 ( 0.000 -6.636 -2.575) 7.118 6.414 ( 0.000 6.636 -2.575) 7.118 6.591 ( 0.000 -2.039 5.776) 6.125 6.591 ( 0.000 2.039 5.776) 6.125 6.601 ( 0.000 -0.025 -11.505) 11.506 6.601 ( 0.000 0.025 -11.505) 11.506 6.794 ( 0.000 -2.529 -2.839) 3.802 6.794 ( 0.000 2.529 -2.839) 3.802 6.949 ( 0.000 -8.680 -1.648) 8.835 6.949 ( 0.000 8.680 -1.648) 8.835 7.147 ( 0.000 -6.998 -0.480) 7.014 7.147 ( 0.000 6.998 -0.480) 7.014 7.242 ( 0.000 -1.061 -6.045) 6.137 7.242 ( 0.000 1.061 -6.045) 6.137 7.345 ( 0.000 -2.122 -1.437) 2.563 7.345 ( 0.000 2.122 -1.437) 2.563 7.505 ( 0.000 -1.768 -6.659) 6.890 7.505 ( 0.000 1.768 -6.659) 6.890 7.573 ( 0.000 -2.184 10.207) 10.438 7.573 ( 0.000 2.184 10.207) 10.438 7.832 ( 0.000 -2.418 -10.215) 10.498 7.832 ( 0.000 2.418 -10.215) 10.498 7.856 ( 0.000 -2.278 -5.461) 5.917 7.856 ( 0.000 2.278 -5.461) 5.917 8.131 ( 0.000 -0.858 3.356) 3.463 8.131 ( 0.000 0.858 3.356) 3.463 8.369 ( 0.000 -3.450 -2.326) 4.160 8.369 ( 0.000 3.450 -2.326) 4.160 8.471 ( 0.000 -0.775 -6.984) 7.027 8.471 ( 0.000 0.775 -6.984) 7.027 8.557 ( 0.000 -0.791 8.302) 8.340 8.557 ( 0.000 0.791 8.302) 8.340 8.918 ( 0.000 -2.717 0.672) 2.799 8.918 ( 0.000 2.717 0.672) 2.799 8.957 ( 0.000 -3.231 -4.040) 5.173 8.957 ( 0.000 3.231 -4.040) 5.173 9.204 ( 0.000 -1.796 -5.254) 5.552 9.204 ( 0.000 1.796 -5.254) 5.552 9.975 ( 0.000 -1.302 4.256) 4.451 9.975 ( 0.000 1.302 4.256) 4.451 9.980 ( 0.000 -3.256 5.037) 5.998 9.980 ( 0.000 3.256 5.037) 5.998 10.180 ( 0.000 -0.261 5.299) 5.305 10.180 ( 0.000 0.261 5.299) 5.305 10.395 ( 0.000 -0.000 0.114) 0.114 10.395 ( 0.000 0.000 0.114) 0.114 10.494 ( 0.000 -0.303 2.767) 2.784 10.494 ( 0.000 0.303 2.767) 2.784 10.626 ( 0.000 -3.113 -2.892) 4.249 10.626 ( 0.000 3.113 -2.892) 4.249 10.836 ( 0.000 -7.734 4.379) 8.888 10.836 ( 0.000 7.734 4.379) 8.888 11.163 ( 0.000 -0.013 1.397) 1.397 11.163 ( 0.000 0.013 1.397) 1.397 11.192 ( 0.000 -5.870 2.179) 6.261 11.192 ( 0.000 5.870 2.179) 6.261 11.341 ( 0.000 -5.226 -3.428) 6.250 11.341 ( 0.000 5.226 -3.428) 6.250 12.718 ( 0.000 -2.361 3.849) 4.515 12.718 ( 0.000 2.361 3.849) 4.515 12.904 ( 0.000 -1.458 -0.930) 1.729 12.904 ( 0.000 1.458 -0.930) 1.729 13.310 ( 0.000 -2.748 2.482) 3.703 13.310 ( 0.000 2.748 2.482) 3.703 13.441 ( 0.000 -1.753 -1.013) 2.025 13.441 ( 0.000 1.753 -1.013) 2.025 13.549 ( 0.000 -3.520 3.204) 4.760 13.549 ( 0.000 3.520 3.204) 4.760 13.662 ( 0.000 -1.293 0.094) 1.297 13.662 ( 0.000 1.293 0.094) 1.297 13.811 ( 0.000 -3.944 1.572) 4.246 13.811 ( 0.000 3.944 1.572) 4.246 13.949 ( 0.000 -3.398 -1.145) 3.586 13.949 ( 0.000 3.398 -1.145) 3.586 14.442 ( 0.000 -1.300 -5.056) 5.220 14.442 ( 0.000 1.300 -5.056) 5.220 14.664 ( 0.000 -1.101 -7.595) 7.674 14.664 ( 0.000 1.101 -7.595) 7.674 14.838 ( 0.000 -0.008 -5.008) 5.008 14.838 ( 0.000 0.008 -5.008) 5.008 15.050 ( 0.000 -1.473 -7.658) 7.799 15.050 ( 0.000 1.473 -7.658) 7.799 ======================= Grid point 122 (47/60) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 5.925 0.000 0.279) 5.932 1.853 ( 6.421 -0.000 -1.036) 6.505 2.234 ( -1.508 0.000 -2.438) 2.867 2.254 ( 0.601 -0.000 -6.715) 6.742 2.540 ( -8.755 0.000 5.745) 10.472 2.685 ( -5.233 -0.000 4.872) 7.150 2.838 ( 2.755 0.000 1.670) 3.221 2.956 ( 7.633 0.000 -8.233) 11.227 3.613 ( -0.838 0.000 18.797) 18.816 3.684 ( -1.106 0.000 17.015) 17.051 3.730 ( 2.601 -0.000 16.888) 17.088 3.942 ( 9.204 0.000 12.005) 15.128 4.287 ( -15.375 0.000 12.016) 19.514 4.356 ( 1.193 0.000 -4.200) 4.366 4.473 ( -11.872 -0.000 14.740) 18.927 4.522 ( 4.482 0.000 2.365) 5.068 4.647 ( -7.414 0.000 22.131) 23.340 4.742 ( -7.671 0.000 23.018) 24.262 4.871 ( 9.226 0.000 10.962) 14.328 4.989 ( 1.820 0.000 -10.502) 10.659 5.141 ( 3.218 0.000 2.467) 4.055 5.247 ( 6.347 0.000 -6.914) 9.385 5.324 ( 7.119 0.000 15.956) 17.472 5.342 ( 0.728 -0.000 1.967) 2.098 5.396 ( -0.671 0.000 -7.833) 7.862 5.500 ( 4.214 -0.000 11.786) 12.517 5.516 ( 9.327 0.000 11.282) 14.638 5.629 ( 5.269 0.000 4.050) 6.646 5.749 ( 3.904 -0.000 -0.738) 3.973 5.769 ( -3.965 0.000 1.851) 4.376 5.827 ( -0.038 0.000 7.921) 7.921 5.873 ( -12.002 0.000 -1.069) 12.049 5.937 ( -3.350 0.000 2.867) 4.409 6.087 ( -0.115 -0.000 -0.385) 0.401 6.102 ( -0.875 0.000 0.355) 0.945 6.124 ( 1.759 0.000 2.902) 3.394 6.269 ( -2.474 0.000 -6.655) 7.100 6.332 ( 1.680 0.000 -9.450) 9.598 6.414 ( 5.914 -0.000 -0.839) 5.973 6.475 ( -1.961 0.000 0.029) 1.961 6.483 ( -5.780 -0.000 1.816) 6.059 6.574 ( 1.274 -0.000 -8.317) 8.414 6.639 ( -3.026 0.000 1.854) 3.549 6.693 ( -1.964 0.000 -1.904) 2.736 6.785 ( 10.078 0.000 0.031) 10.078 6.859 ( 2.654 0.000 -2.390) 3.572 6.905 ( -1.095 0.000 -4.875) 4.997 6.908 ( -5.561 -0.000 4.275) 7.015 7.021 ( -4.018 0.000 -6.995) 8.066 7.138 ( -3.390 0.000 -1.912) 3.892 7.169 ( -8.079 0.000 -1.119) 8.156 7.308 ( 0.469 -0.000 -10.443) 10.454 7.331 ( -5.921 0.000 -2.302) 6.353 7.351 ( 7.420 -0.000 4.046) 8.451 7.406 ( -2.688 0.000 -6.903) 7.408 7.497 ( -0.798 0.000 -9.930) 9.962 7.633 ( 0.173 0.000 5.839) 5.842 7.661 ( 2.475 0.000 4.267) 4.932 7.734 ( -3.766 0.000 -10.319) 10.984 7.768 ( -5.739 -0.000 -3.642) 6.797 7.881 ( 2.666 0.000 -8.610) 9.013 7.883 ( 2.765 0.000 -3.276) 4.287 8.173 ( 4.732 0.000 3.963) 6.173 8.206 ( 2.989 0.000 -0.057) 2.990 8.346 ( -0.700 -0.000 -3.883) 3.946 8.355 ( 0.556 0.000 0.616) 0.830 8.492 ( 1.257 0.000 -3.068) 3.316 8.510 ( -0.124 -0.000 1.891) 1.895 8.559 ( 5.671 0.000 -1.619) 5.897 8.624 ( 4.220 0.000 2.190) 4.755 8.871 ( -3.656 -0.000 0.077) 3.657 8.905 ( -2.047 0.000 3.155) 3.760 8.932 ( -0.663 0.000 -3.792) 3.849 8.998 ( 2.426 0.000 -4.124) 4.785 9.172 ( -4.084 0.000 -3.868) 5.625 9.183 ( -2.140 -0.000 -4.182) 4.698 9.927 ( -2.364 0.000 6.322) 6.749 9.968 ( -0.598 0.000 4.198) 4.240 9.978 ( 0.042 -0.000 2.866) 2.866 9.996 ( -0.432 0.000 4.382) 4.403 10.168 ( -0.931 0.000 4.910) 4.998 10.172 ( -0.802 0.000 5.701) 5.757 10.387 ( -0.008 0.000 1.711) 1.711 10.420 ( 0.788 0.000 0.044) 0.790 10.459 ( -1.053 0.000 3.169) 3.339 10.494 ( 0.198 -0.000 1.594) 1.606 10.669 ( 4.594 0.000 -3.274) 5.641 10.720 ( 5.681 0.000 -5.182) 7.689 10.821 ( 0.505 -0.000 3.711) 3.746 10.902 ( 5.670 0.000 6.550) 8.663 11.087 ( -5.919 0.000 4.923) 7.699 11.162 ( -0.570 0.000 -0.022) 0.570 11.200 ( 1.387 0.000 -0.898) 1.652 11.225 ( 1.301 -0.000 3.690) 3.912 11.316 ( -1.975 0.000 -3.932) 4.400 11.333 ( -1.615 -0.000 -3.240) 3.620 12.713 ( 0.744 0.000 3.554) 3.631 12.752 ( 2.426 0.000 3.283) 4.082 12.867 ( -2.999 0.000 0.088) 3.000 12.897 ( -1.566 0.000 -0.933) 1.823 13.317 ( 0.813 -0.000 2.976) 3.085 13.318 ( 0.600 0.000 2.046) 2.132 13.410 ( -1.061 0.000 -0.210) 1.082 13.463 ( -0.187 0.000 -0.375) 0.419 13.553 ( 0.299 0.000 2.857) 2.873 13.558 ( 0.867 -0.000 2.219) 2.383 13.651 ( -0.487 0.000 0.238) 0.542 13.664 ( -0.120 0.000 -0.329) 0.350 13.849 ( 4.930 0.000 2.361) 5.467 13.857 ( 3.635 0.000 0.338) 3.651 13.957 ( 1.153 -0.000 -0.469) 1.245 13.970 ( 2.094 0.000 -0.746) 2.223 14.312 ( -7.606 0.000 -5.513) 9.393 14.481 ( -4.815 0.000 -6.697) 8.248 14.627 ( -1.042 -0.000 -8.479) 8.543 14.672 ( -1.185 0.000 -4.117) 4.284 14.775 ( 1.865 0.000 -5.954) 6.239 14.920 ( 1.987 0.000 -4.903) 5.291 15.016 ( -1.577 0.000 -7.579) 7.741 15.063 ( -0.253 0.000 -7.568) 7.572 ======================= Grid point 124 (48/60) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 7.618 0.000 -0.988) 7.682 1.984 ( 6.399 -0.000 -1.677) 6.615 2.184 ( -3.141 0.000 -3.530) 4.725 2.218 ( -5.516 -0.000 -8.276) 9.946 2.462 ( 1.895 0.000 9.613) 9.798 2.563 ( -7.387 0.000 5.928) 9.471 2.915 ( 5.472 0.000 -2.938) 6.211 3.002 ( -2.606 0.000 -8.264) 8.666 3.684 ( 6.879 0.000 19.507) 20.684 3.736 ( 7.526 0.000 16.271) 17.927 3.751 ( -0.809 -0.000 17.749) 17.767 3.972 ( -15.140 0.000 12.001) 19.319 4.110 ( 6.562 0.000 18.812) 19.923 4.263 ( -10.220 0.000 19.279) 21.820 4.426 ( 5.733 0.000 -0.448) 5.750 4.527 ( -5.111 0.000 18.769) 19.453 4.570 ( 0.403 0.000 4.094) 4.114 4.615 ( -5.280 0.000 20.284) 20.960 4.999 ( 3.692 -0.000 -4.860) 6.103 5.010 ( 1.145 0.000 -14.082) 14.128 5.212 ( 4.561 0.000 -0.269) 4.569 5.285 ( -2.832 0.000 -0.816) 2.947 5.394 ( 6.503 0.000 4.321) 7.808 5.402 ( 5.700 0.000 -1.388) 5.866 5.505 ( -1.400 -0.000 13.080) 13.155 5.541 ( 5.821 -0.000 2.030) 6.165 5.573 ( -11.601 0.000 -5.380) 12.788 5.636 ( -1.291 0.000 2.300) 2.637 5.725 ( 5.065 -0.000 18.192) 18.884 5.730 ( 2.792 0.000 13.590) 13.874 5.838 ( -1.390 0.000 3.118) 3.414 5.843 ( -4.241 -0.000 0.555) 4.277 5.959 ( 10.470 0.000 6.046) 12.090 6.063 ( -2.628 0.000 2.035) 3.323 6.129 ( 4.585 0.000 0.327) 4.597 6.172 ( 3.527 -0.000 5.158) 6.249 6.236 ( -1.299 0.000 -2.583) 2.892 6.297 ( -10.063 0.000 0.826) 10.097 6.363 ( -3.348 0.000 -6.080) 6.941 6.365 ( -5.182 -0.000 -3.148) 6.063 6.533 ( 5.641 0.000 -1.339) 5.798 6.603 ( 0.598 -0.000 -0.079) 0.603 6.629 ( 2.289 0.000 -5.335) 5.805 6.644 ( -4.825 0.000 -2.473) 5.422 6.814 ( -1.236 0.000 6.199) 6.321 6.839 ( 0.055 0.000 -0.202) 0.210 6.905 ( 2.162 -0.000 -4.213) 4.735 6.942 ( -0.994 0.000 -6.447) 6.523 6.976 ( -1.367 0.000 -4.556) 4.757 7.028 ( -6.598 0.000 -1.427) 6.751 7.178 ( 7.118 0.000 3.239) 7.821 7.276 ( -3.470 0.000 -6.729) 7.571 7.290 ( 3.935 0.000 -6.533) 7.626 7.399 ( 2.021 0.000 -7.976) 8.228 7.419 ( -3.215 -0.000 -1.435) 3.520 7.467 ( -4.699 0.000 -6.985) 8.418 7.531 ( -1.921 0.000 -6.900) 7.162 7.589 ( -5.150 0.000 -8.381) 9.837 7.753 ( 1.188 -0.000 -5.778) 5.899 7.753 ( 0.928 0.000 -3.857) 3.967 7.931 ( 2.299 0.000 -2.480) 3.382 7.938 ( 1.979 0.000 0.421) 2.024 8.216 ( -0.304 0.000 0.795) 0.851 8.219 ( 0.126 0.000 2.681) 2.684 8.375 ( 3.047 -0.000 -1.035) 3.218 8.395 ( 1.685 0.000 0.923) 1.922 8.501 ( 0.053 0.000 -0.849) 0.851 8.504 ( -0.146 -0.000 1.527) 1.534 8.677 ( 4.540 0.000 -7.645) 8.891 8.685 ( 2.112 -0.000 -4.823) 5.265 8.820 ( -0.371 0.000 5.780) 5.792 8.859 ( -2.804 0.000 7.349) 7.865 8.942 ( 2.306 0.000 -5.363) 5.837 9.020 ( -3.105 0.000 -10.870) 11.305 9.086 ( -1.142 0.000 3.506) 3.687 9.130 ( -3.409 0.000 -1.561) 3.749 9.915 ( 1.034 0.000 5.763) 5.855 9.947 ( -1.858 0.000 5.029) 5.361 9.979 ( 0.079 0.000 2.469) 2.471 9.983 ( -0.515 0.000 3.122) 3.164 10.157 ( -0.204 0.000 5.273) 5.277 10.160 ( -0.431 0.000 5.564) 5.581 10.391 ( 0.404 0.000 3.134) 3.160 10.405 ( -1.166 0.000 3.411) 3.605 10.479 ( 1.752 0.000 0.186) 1.762 10.499 ( -0.241 -0.000 0.371) 0.442 10.747 ( 3.362 0.000 -4.610) 5.706 10.775 ( 0.480 0.000 -5.549) 5.569 10.863 ( 4.222 0.000 4.491) 6.164 10.965 ( -6.392 0.000 4.962) 8.092 11.036 ( 7.234 0.000 6.092) 9.458 11.135 ( -3.062 0.000 3.617) 4.739 11.232 ( 2.003 0.000 -0.488) 2.061 11.242 ( 0.869 -0.000 0.688) 1.108 11.278 ( -1.858 0.000 -4.304) 4.688 11.288 ( -2.852 -0.000 -3.702) 4.673 12.745 ( 2.688 0.000 2.622) 3.755 12.802 ( 2.877 0.000 2.019) 3.515 12.805 ( -3.552 0.000 1.295) 3.781 12.855 ( -2.809 0.000 0.278) 2.823 13.328 ( 0.440 0.000 2.201) 2.244 13.330 ( 0.364 -0.000 2.788) 2.811 13.409 ( 1.049 0.000 0.470) 1.150 13.440 ( -1.911 0.000 0.695) 2.033 13.559 ( 0.385 0.000 2.360) 2.391 13.565 ( -0.147 -0.000 1.836) 1.842 13.652 ( 0.442 0.000 -0.214) 0.491 13.660 ( -0.322 0.000 -0.527) 0.618 13.917 ( 2.296 0.000 -0.785) 2.427 13.930 ( 1.289 0.000 -0.948) 1.601 14.028 ( 7.537 0.000 6.608) 10.023 14.030 ( 4.462 0.000 1.925) 4.859 14.186 ( -4.815 0.000 -9.965) 11.068 14.293 ( -12.562 0.000 -7.021) 14.391 14.632 ( 1.465 0.000 -8.452) 8.577 14.663 ( -1.185 0.000 -6.460) 6.567 14.842 ( 4.405 0.000 -5.057) 6.706 14.911 ( -2.633 0.000 -4.460) 5.179 15.011 ( 1.116 0.000 -7.081) 7.169 15.042 ( -1.787 0.000 -7.247) 7.464 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.000 0.000 1.441) 1.441 1.851 ( 0.000 0.000 -5.864) 5.864 2.684 ( 0.000 0.000 5.236) 5.236 2.803 ( 0.000 0.000 -6.571) 6.571 2.864 ( 0.000 0.000 11.804) 11.804 2.940 ( 0.000 0.000 0.576) 0.576 2.980 ( 0.000 0.000 4.199) 4.199 3.129 ( 0.000 0.000 -7.407) 7.407 3.331 ( 0.000 0.000 15.093) 15.093 3.636 ( 0.000 0.000 -13.393) 13.393 3.715 ( 0.000 0.000 30.053) 30.053 4.274 ( 0.000 0.000 -22.679) 22.679 4.519 ( 0.000 0.000 3.570) 3.570 4.566 ( 0.000 0.000 0.030) 0.030 4.710 ( 0.000 0.000 7.080) 7.080 4.764 ( 0.000 0.000 12.683) 12.683 4.787 ( 0.000 0.000 0.723) 0.723 4.979 ( 0.000 0.000 -0.624) 0.624 4.997 ( 0.000 0.000 11.541) 11.541 5.098 ( 0.000 0.000 2.680) 2.680 5.114 ( 0.000 0.000 -0.409) 0.409 5.167 ( 0.000 0.000 2.303) 2.303 5.283 ( 0.000 0.000 15.202) 15.202 5.307 ( 0.000 0.000 -3.261) 3.261 5.349 ( 0.000 0.000 11.077) 11.077 5.402 ( 0.000 0.000 1.122) 1.122 5.531 ( 0.000 0.000 5.185) 5.185 5.551 ( 0.000 0.000 -8.829) 8.829 5.588 ( 0.000 0.000 4.064) 4.064 5.741 ( 0.000 0.000 -6.113) 6.113 5.834 ( 0.000 0.000 -11.399) 11.399 5.956 ( 0.000 0.000 -14.518) 14.518 6.038 ( 0.000 0.000 17.307) 17.307 6.174 ( 0.000 0.000 5.883) 5.883 6.177 ( 0.000 0.000 6.046) 6.046 6.260 ( 0.000 0.000 2.150) 2.150 6.289 ( 0.000 0.000 -3.274) 3.274 6.302 ( 0.000 0.000 7.901) 7.901 6.358 ( 0.000 0.000 1.112) 1.112 6.426 ( 0.000 0.000 8.816) 8.816 6.452 ( 0.000 0.000 -17.777) 17.777 6.523 ( 0.000 0.000 -0.959) 0.959 6.638 ( 0.000 0.000 8.448) 8.448 6.723 ( 0.000 0.000 4.565) 4.565 6.811 ( 0.000 0.000 -10.624) 10.624 6.814 ( 0.000 0.000 -2.105) 2.105 6.862 ( 0.000 0.000 -5.449) 5.449 6.913 ( 0.000 0.000 1.799) 1.799 6.976 ( 0.000 0.000 -0.922) 0.922 6.976 ( 0.000 0.000 -11.984) 11.984 7.093 ( 0.000 0.000 4.282) 4.282 7.146 ( 0.000 0.000 10.822) 10.822 7.226 ( 0.000 0.000 -8.597) 8.597 7.332 ( 0.000 0.000 -9.889) 9.889 7.449 ( 0.000 0.000 6.110) 6.110 7.574 ( 0.000 0.000 3.486) 3.486 7.603 ( 0.000 0.000 -13.184) 13.184 7.646 ( 0.000 0.000 -3.133) 3.133 7.681 ( 0.000 0.000 11.607) 11.607 7.912 ( 0.000 0.000 3.893) 3.893 7.937 ( 0.000 0.000 -0.264) 0.264 8.010 ( 0.000 0.000 3.532) 3.532 8.018 ( 0.000 0.000 2.025) 2.025 8.032 ( 0.000 0.000 -17.118) 17.118 8.236 ( 0.000 0.000 0.604) 0.604 8.262 ( 0.000 0.000 2.710) 2.710 8.353 ( 0.000 0.000 -5.452) 5.452 8.362 ( 0.000 0.000 -10.376) 10.376 8.656 ( 0.000 0.000 5.385) 5.385 8.719 ( 0.000 0.000 2.084) 2.084 8.742 ( 0.000 0.000 3.561) 3.561 8.812 ( 0.000 0.000 -2.831) 2.831 9.000 ( 0.000 0.000 0.659) 0.659 9.026 ( 0.000 0.000 -2.209) 2.209 9.073 ( 0.000 0.000 -2.954) 2.954 9.099 ( 0.000 0.000 -2.427) 2.427 9.847 ( 0.000 0.000 0.948) 0.948 9.861 ( 0.000 0.000 0.062) 0.062 9.966 ( 0.000 0.000 3.266) 3.266 9.993 ( 0.000 0.000 0.533) 0.533 10.245 ( 0.000 0.000 0.452) 0.452 10.256 ( 0.000 0.000 -0.957) 0.957 10.263 ( 0.000 0.000 6.643) 6.643 10.388 ( 0.000 0.000 -5.624) 5.624 10.539 ( 0.000 0.000 0.286) 0.286 10.557 ( 0.000 0.000 -0.831) 0.831 10.699 ( 0.000 0.000 0.672) 0.672 10.720 ( 0.000 0.000 -1.223) 1.223 10.771 ( 0.000 0.000 2.521) 2.521 10.819 ( 0.000 0.000 -2.518) 2.518 11.160 ( 0.000 0.000 1.653) 1.653 11.197 ( 0.000 0.000 -1.987) 1.987 11.345 ( 0.000 0.000 3.858) 3.858 11.389 ( 0.000 0.000 -0.647) 0.647 11.539 ( 0.000 0.000 3.763) 3.763 11.585 ( 0.000 0.000 -0.692) 0.692 12.663 ( 0.000 0.000 2.098) 2.098 12.702 ( 0.000 0.000 -1.796) 1.796 12.818 ( 0.000 0.000 3.035) 3.035 12.861 ( 0.000 0.000 -0.977) 0.977 13.108 ( 0.000 0.000 2.348) 2.348 13.147 ( 0.000 0.000 3.405) 3.405 13.159 ( 0.000 0.000 -2.759) 2.759 13.213 ( 0.000 0.000 -3.177) 3.177 13.612 ( 0.000 0.000 2.048) 2.048 13.646 ( 0.000 0.000 -0.914) 0.914 13.669 ( 0.000 0.000 5.943) 5.943 13.830 ( 0.000 0.000 -10.044) 10.044 14.003 ( 0.000 0.000 8.587) 8.587 14.091 ( 0.000 0.000 6.019) 6.019 14.153 ( 0.000 0.000 0.311) 0.311 14.210 ( 0.000 0.000 -11.594) 11.594 14.298 ( 0.000 0.000 9.889) 9.889 14.411 ( 0.000 0.000 0.587) 0.587 14.471 ( 0.000 0.000 -4.813) 4.813 14.514 ( 0.000 0.000 -11.266) 11.266 14.768 ( 0.000 0.000 -0.279) 0.279 14.831 ( 0.000 0.000 1.616) 1.616 14.843 ( 0.000 0.000 -7.370) 7.370 14.854 ( 0.000 0.000 -0.396) 0.396 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 11.868 0.000 2.511) 12.131 1.987 ( 13.672 0.000 -7.243) 15.472 2.614 ( -7.596 0.000 5.448) 9.348 2.745 ( -6.617 0.000 -7.621) 10.093 2.885 ( 1.979 0.000 9.831) 10.028 2.952 ( 1.464 0.000 0.266) 1.488 2.975 ( -0.554 0.000 4.655) 4.688 3.110 ( -1.785 0.000 -5.909) 6.172 3.404 ( 7.717 0.000 16.445) 18.166 3.719 ( 8.331 0.000 -8.765) 12.092 3.792 ( 8.938 0.000 24.759) 26.323 4.243 ( -14.156 0.000 9.206) 16.886 4.369 ( 0.590 0.000 -17.535) 17.545 4.429 ( -12.875 0.000 4.707) 13.709 4.681 ( -7.448 0.000 1.977) 7.706 4.759 ( -3.228 0.000 -1.273) 3.470 4.815 ( 2.681 0.000 0.987) 2.857 4.873 ( -6.428 0.000 -3.520) 7.329 5.025 ( 0.382 0.000 3.466) 3.487 5.032 ( -3.280 0.000 1.231) 3.504 5.161 ( -0.732 0.000 4.798) 4.853 5.164 ( 3.020 0.000 -0.884) 3.146 5.314 ( -0.563 0.000 20.506) 20.513 5.343 ( 5.430 0.000 4.300) 6.927 5.378 ( 4.223 0.000 1.228) 4.398 5.463 ( 1.440 0.000 -0.360) 1.485 5.524 ( 7.260 0.000 3.685) 8.142 5.642 ( 4.806 0.000 12.011) 12.937 5.705 ( 10.757 0.000 2.943) 11.153 5.743 ( 1.972 0.000 -15.138) 15.266 5.942 ( 9.155 0.000 -6.571) 11.269 5.993 ( 4.038 0.000 -12.525) 13.159 5.997 ( -4.333 0.000 16.148) 16.719 6.034 ( -8.440 0.000 7.417) 11.236 6.168 ( -7.773 0.000 4.238) 8.853 6.224 ( -1.795 0.000 1.045) 2.077 6.242 ( -2.905 0.000 -2.869) 4.082 6.291 ( -2.160 0.000 4.993) 5.440 6.371 ( -1.577 0.000 8.645) 8.788 6.416 ( 4.229 0.000 -7.990) 9.040 6.451 ( -0.186 0.000 2.072) 2.080 6.594 ( -3.014 0.000 6.010) 6.723 6.620 ( 4.326 0.000 -13.561) 14.235 6.725 ( -0.061 0.000 0.521) 0.524 6.782 ( -5.676 0.000 8.238) 10.005 6.820 ( -2.081 0.000 0.316) 2.105 6.897 ( -0.912 0.000 -2.559) 2.717 6.918 ( 4.491 0.000 -8.658) 9.753 6.932 ( -2.991 0.000 0.937) 3.134 6.960 ( 5.618 0.000 3.340) 6.536 7.089 ( -3.255 0.000 -6.096) 6.910 7.135 ( -0.966 0.000 -10.764) 10.808 7.167 ( -1.842 0.000 2.595) 3.183 7.239 ( -8.924 0.000 -10.390) 13.696 7.480 ( 2.263 0.000 -1.679) 2.818 7.511 ( -2.684 0.000 -4.425) 5.176 7.612 ( -0.316 0.000 10.875) 10.879 7.680 ( 0.858 0.000 2.736) 2.868 7.727 ( -1.618 0.000 -4.119) 4.426 7.802 ( -11.005 0.000 -2.378) 11.259 7.890 ( -3.200 0.000 6.127) 6.912 7.962 ( 1.462 0.000 -3.516) 3.808 7.977 ( -1.069 0.000 0.989) 1.456 8.091 ( 2.939 0.000 -11.195) 11.575 8.261 ( 4.087 0.000 3.014) 5.078 8.375 ( 8.153 0.000 1.718) 8.332 8.414 ( 4.886 0.000 -9.876) 11.018 8.425 ( 4.451 0.000 -2.418) 5.065 8.651 ( -0.308 0.000 4.616) 4.626 8.716 ( 0.243 0.000 0.176) 0.300 8.724 ( -1.846 0.000 3.497) 3.954 8.816 ( 0.175 0.000 -4.941) 4.944 9.019 ( -0.803 0.000 0.155) 0.818 9.025 ( 2.392 0.000 0.021) 2.392 9.057 ( -1.394 0.000 -0.272) 1.420 9.102 ( 0.117 0.000 -2.297) 2.300 9.861 ( 1.613 0.000 1.167) 1.991 9.877 ( 1.713 0.000 0.218) 1.727 9.975 ( 0.509 0.000 2.063) 2.124 9.986 ( -0.949 0.000 0.946) 1.340 10.206 ( -1.496 0.000 3.974) 4.246 10.261 ( 0.812 0.000 -1.920) 2.085 10.301 ( 0.932 0.000 4.853) 4.942 10.406 ( 0.827 0.000 -5.170) 5.235 10.518 ( -2.130 0.000 -0.334) 2.156 10.520 ( -0.554 0.000 -0.986) 1.131 10.686 ( -2.059 0.000 0.468) 2.112 10.710 ( -2.131 0.000 -1.767) 2.768 10.817 ( 4.818 0.000 2.435) 5.399 10.861 ( 4.517 0.000 -2.048) 4.960 11.123 ( -3.769 0.000 1.866) 4.206 11.161 ( -3.731 0.000 -1.925) 4.199 11.377 ( 3.043 0.000 3.101) 4.345 11.407 ( 1.824 0.000 -0.089) 1.826 11.526 ( -1.355 0.000 3.331) 3.596 11.565 ( -2.171 0.000 -0.325) 2.195 12.681 ( 1.899 0.000 1.748) 2.581 12.711 ( 1.040 0.000 -1.355) 1.708 12.805 ( -1.336 0.000 2.560) 2.888 12.841 ( -2.084 0.000 -0.804) 2.233 13.109 ( 0.228 0.000 2.597) 2.607 13.142 ( -0.473 0.000 3.372) 3.405 13.165 ( 0.552 0.000 -2.863) 2.916 13.209 ( -0.500 0.000 -3.189) 3.228 13.619 ( 0.756 0.000 2.727) 2.830 13.665 ( -0.420 0.000 5.777) 5.793 13.671 ( 2.534 0.000 -1.864) 3.146 13.819 ( -1.260 0.000 -9.311) 9.395 14.016 ( 1.433 0.000 8.346) 8.468 14.119 ( 2.719 0.000 3.969) 4.811 14.157 ( -0.905 0.000 5.424) 5.499 14.241 ( 3.638 0.000 -9.339) 10.022 14.299 ( 2.237 0.000 1.361) 2.619 14.341 ( -5.143 0.000 -2.749) 5.832 14.529 ( 4.941 0.000 -2.256) 5.432 14.571 ( 2.436 0.000 -6.750) 7.176 14.715 ( -5.130 0.000 -0.753) 5.185 14.747 ( -4.394 0.000 -2.302) 4.960 14.833 ( -2.440 0.000 0.660) 2.528 14.873 ( -0.125 0.000 -4.579) 4.581 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 16.120 0.000 4.373) 16.702 2.283 ( 17.202 0.000 -9.374) 19.590 2.418 ( -13.626 0.000 5.374) 14.647 2.564 ( -13.054 0.000 -9.277) 16.015 2.925 ( 2.220 0.000 6.949) 7.295 2.958 ( -1.352 0.000 5.566) 5.727 2.998 ( 3.486 0.000 -1.210) 3.690 3.064 ( -3.343 0.000 -3.710) 4.994 3.601 ( 13.874 0.000 19.807) 24.183 3.902 ( -18.863 0.000 20.419) 27.799 3.909 ( 12.376 0.000 5.144) 13.402 4.038 ( 16.690 0.000 9.032) 18.977 4.167 ( -14.137 0.000 6.108) 15.400 4.394 ( -19.763 0.000 -0.384) 19.767 4.491 ( 8.957 0.000 -19.962) 21.879 4.651 ( -7.988 0.000 -11.157) 13.722 4.878 ( 3.983 0.000 0.303) 3.994 4.887 ( 5.273 0.000 -1.845) 5.587 4.962 ( -4.603 0.000 -0.109) 4.604 4.987 ( -4.583 0.000 -3.782) 5.942 5.157 ( 1.141 0.000 7.090) 7.182 5.214 ( -5.195 0.000 9.920) 11.198 5.242 ( 5.752 0.000 -2.486) 6.266 5.357 ( -5.742 0.000 -4.691) 7.414 5.533 ( 9.072 0.000 10.707) 14.033 5.574 ( 11.657 0.000 12.809) 17.319 5.670 ( 4.738 0.000 0.703) 4.790 5.689 ( -5.064 0.000 6.037) 7.880 5.807 ( 6.611 0.000 2.454) 7.052 5.864 ( 1.998 0.000 4.496) 4.920 5.914 ( -4.451 0.000 3.608) 5.730 5.914 ( -2.341 0.000 4.885) 5.417 6.051 ( 2.969 0.000 -3.243) 4.397 6.053 ( 0.268 0.000 17.469) 17.471 6.098 ( 5.423 0.000 -6.462) 8.436 6.137 ( -6.089 0.000 -4.045) 7.310 6.184 ( -4.188 0.000 1.023) 4.311 6.266 ( -8.242 0.000 15.337) 17.412 6.358 ( 9.523 0.000 -2.269) 9.790 6.421 ( -0.533 0.000 4.025) 4.060 6.494 ( -7.693 0.000 8.067) 11.147 6.507 ( -1.610 0.000 -10.617) 10.738 6.633 ( 3.423 0.000 -4.409) 5.581 6.737 ( 4.012 0.000 -1.259) 4.205 6.752 ( 3.762 0.000 -3.965) 5.465 6.835 ( -4.901 0.000 -16.832) 17.531 6.840 ( -5.544 0.000 0.398) 5.558 6.892 ( -1.930 0.000 -4.468) 4.867 6.961 ( 4.713 0.000 -1.023) 4.823 6.975 ( -2.344 0.000 -6.320) 6.741 7.040 ( -2.261 0.000 3.388) 4.073 7.046 ( -8.815 0.000 -4.378) 9.843 7.214 ( 10.429 0.000 -1.191) 10.497 7.288 ( 11.799 0.000 -5.130) 12.866 7.428 ( -10.058 0.000 4.795) 11.143 7.528 ( -9.306 0.000 -3.372) 9.898 7.541 ( 0.326 0.000 0.762) 0.829 7.593 ( 1.894 0.000 -3.573) 4.044 7.653 ( -3.436 0.000 -1.611) 3.795 7.659 ( -7.242 0.000 -2.921) 7.809 7.900 ( 3.707 0.000 7.022) 7.940 7.959 ( -2.047 0.000 5.109) 5.503 8.047 ( 5.137 0.000 -8.492) 9.925 8.108 ( -1.222 0.000 -9.586) 9.663 8.366 ( 6.217 0.000 4.701) 7.794 8.449 ( -2.154 0.000 2.528) 3.321 8.489 ( 3.647 0.000 -1.817) 4.074 8.495 ( 2.840 0.000 -5.994) 6.633 8.655 ( 0.878 0.000 3.174) 3.293 8.684 ( -2.243 0.000 3.336) 4.020 8.748 ( 3.109 0.000 -4.963) 5.856 8.802 ( -2.113 0.000 -7.920) 8.197 9.009 ( 0.262 0.000 4.683) 4.690 9.029 ( -1.610 0.000 3.612) 3.955 9.069 ( 2.059 0.000 -1.173) 2.370 9.096 ( -0.886 0.000 -1.928) 2.122 9.903 ( 2.832 0.000 1.480) 3.196 9.919 ( 2.756 0.000 0.393) 2.784 9.954 ( -2.471 0.000 1.452) 2.866 9.965 ( -1.834 0.000 0.569) 1.920 10.214 ( 2.409 0.000 5.091) 5.633 10.273 ( -3.323 0.000 5.306) 6.261 10.295 ( 3.031 0.000 -2.721) 4.073 10.365 ( -4.248 0.000 -3.254) 5.351 10.550 ( 4.699 0.000 -1.516) 4.937 10.552 ( 3.679 0.000 -1.460) 3.959 10.627 ( -4.073 0.000 -0.350) 4.088 10.643 ( -4.841 0.000 -1.965) 5.225 10.923 ( 6.308 0.000 2.178) 6.673 10.962 ( 6.145 0.000 -1.735) 6.385 11.034 ( -5.732 0.000 1.999) 6.071 11.072 ( -5.753 0.000 -1.746) 6.013 11.442 ( 3.922 0.000 1.812) 4.320 11.448 ( 2.489 0.000 1.069) 2.709 11.493 ( -2.266 0.000 2.303) 3.231 11.512 ( -3.536 0.000 0.601) 3.587 12.728 ( 3.210 0.000 0.860) 3.323 12.738 ( 1.820 0.000 -0.178) 1.828 12.774 ( -2.000 0.000 1.322) 2.398 12.790 ( -3.344 0.000 -0.147) 3.347 13.117 ( 0.641 0.000 2.996) 3.064 13.131 ( -0.763 0.000 3.251) 3.339 13.178 ( 0.924 0.000 -3.050) 3.187 13.196 ( -0.901 0.000 -3.169) 3.294 13.636 ( 1.037 0.000 4.077) 4.207 13.654 ( -0.844 0.000 5.185) 5.254 13.728 ( 3.367 0.000 -4.340) 5.493 13.784 ( -2.611 0.000 -7.219) 7.676 14.055 ( 2.725 0.000 8.234) 8.673 14.111 ( -3.287 0.000 8.398) 9.018 14.178 ( 3.654 0.000 -0.774) 3.735 14.252 ( -4.540 0.000 -2.942) 5.410 14.347 ( 7.801 0.000 -4.313) 8.914 14.401 ( 7.942 0.000 -4.135) 8.954 14.503 ( -8.290 0.000 -2.246) 8.589 14.548 ( -6.492 0.000 -5.029) 8.212 14.672 ( 4.073 0.000 2.636) 4.852 14.760 ( 4.373 0.000 -5.609) 7.112 14.765 ( -4.860 0.000 1.898) 5.218 14.838 ( -3.515 0.000 -5.406) 6.449 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.000 -3.471 2.950) 4.555 1.842 ( 0.000 -0.431 -8.045) 8.057 2.697 ( 0.000 1.148 5.274) 5.397 2.732 ( 0.000 -19.943 6.709) 21.041 2.814 ( 0.000 0.735 -6.311) 6.353 2.815 ( 0.000 -8.780 2.953) 9.263 2.880 ( 0.000 -8.254 4.611) 9.454 3.030 ( 0.000 -8.149 -6.178) 10.226 3.402 ( 0.000 7.976 16.122) 17.988 3.713 ( 0.000 8.235 -13.379) 15.710 3.747 ( 0.000 4.253 27.975) 28.297 4.270 ( 0.000 0.450 -21.844) 21.849 4.506 ( 0.000 -4.481 7.889) 9.073 4.598 ( 0.000 5.513 1.633) 5.750 4.720 ( 0.000 -6.284 4.205) 7.561 4.748 ( 0.000 -1.476 1.609) 2.184 4.816 ( 0.000 5.155 17.099) 17.860 4.973 ( 0.000 -4.757 3.354) 5.820 5.020 ( 0.000 -1.492 9.169) 9.290 5.051 ( 0.000 -1.567 2.217) 2.715 5.063 ( 0.000 -1.896 -1.968) 2.732 5.153 ( 0.000 7.886 -12.685) 14.936 5.349 ( 0.000 -0.199 9.919) 9.921 5.363 ( 0.000 6.402 16.226) 17.444 5.369 ( 0.000 2.925 -2.717) 3.992 5.404 ( 0.000 -1.058 3.770) 3.916 5.535 ( 0.000 1.295 3.555) 3.783 5.547 ( 0.000 1.499 -3.870) 4.151 5.626 ( 0.000 1.073 10.860) 10.913 5.755 ( 0.000 2.897 -12.016) 12.360 5.792 ( 0.000 -4.332 -7.440) 8.609 5.959 ( 0.000 0.088 -15.240) 15.240 6.056 ( 0.000 0.859 14.946) 14.971 6.119 ( 0.000 -4.421 6.141) 7.567 6.184 ( 0.000 1.481 9.615) 9.728 6.260 ( 0.000 -3.591 -6.470) 7.400 6.302 ( 0.000 4.988 7.313) 8.852 6.349 ( 0.000 2.629 -3.530) 4.401 6.396 ( 0.000 -2.531 7.912) 8.307 6.412 ( 0.000 4.684 -6.489) 8.003 6.459 ( 0.000 -6.805 0.953) 6.872 6.552 ( 0.000 11.602 -11.948) 16.654 6.649 ( 0.000 0.691 9.693) 9.717 6.697 ( 0.000 -1.924 3.413) 3.918 6.734 ( 0.000 -6.983 0.732) 7.022 6.783 ( 0.000 -1.903 -0.797) 2.063 6.877 ( 0.000 -4.805 -3.215) 5.781 6.919 ( 0.000 2.224 -11.470) 11.684 6.919 ( 0.000 -0.435 0.674) 0.802 7.004 ( 0.000 1.842 -4.903) 5.238 7.125 ( 0.000 3.207 4.144) 5.240 7.232 ( 0.000 0.171 -6.201) 6.204 7.237 ( 0.000 6.148 2.681) 6.707 7.350 ( 0.000 0.540 -7.732) 7.751 7.436 ( 0.000 -0.629 0.657) 0.910 7.490 ( 0.000 -3.236 -7.320) 8.004 7.542 ( 0.000 -3.144 5.395) 6.244 7.613 ( 0.000 -3.786 -2.722) 4.663 7.794 ( 0.000 5.738 7.169) 9.182 7.876 ( 0.000 -2.952 5.628) 6.355 7.902 ( 0.000 -4.923 2.855) 5.691 7.987 ( 0.000 -1.490 -1.142) 1.877 8.023 ( 0.000 0.401 -2.407) 2.440 8.075 ( 0.000 3.797 -14.615) 15.100 8.257 ( 0.000 2.120 1.952) 2.882 8.265 ( 0.000 0.462 2.782) 2.820 8.357 ( 0.000 0.343 -5.417) 5.428 8.369 ( 0.000 0.500 -8.528) 8.543 8.664 ( 0.000 0.819 5.803) 5.861 8.734 ( 0.000 -0.816 4.230) 4.308 8.752 ( 0.000 3.129 -0.317) 3.145 8.813 ( 0.000 0.204 -3.162) 3.168 9.001 ( 0.000 0.053 1.319) 1.320 9.043 ( 0.000 1.665 -2.740) 3.206 9.050 ( 0.000 -1.875 -0.384) 1.914 9.110 ( 0.000 0.637 -3.947) 3.998 9.883 ( 0.000 3.973 2.050) 4.471 9.908 ( 0.000 4.568 -0.272) 4.576 9.980 ( 0.000 1.406 3.459) 3.734 10.012 ( 0.000 1.879 0.309) 1.904 10.253 ( 0.000 1.009 1.328) 1.667 10.263 ( 0.000 -0.002 5.967) 5.967 10.281 ( 0.000 2.237 -1.713) 2.818 10.375 ( 0.000 -1.176 -4.907) 5.046 10.528 ( 0.000 -0.660 1.315) 1.471 10.566 ( 0.000 0.415 -1.964) 2.008 10.639 ( 0.000 -4.358 1.491) 4.606 10.680 ( 0.000 -3.293 -2.363) 4.053 10.803 ( 0.000 2.380 4.414) 5.015 10.891 ( 0.000 5.695 -4.283) 7.126 11.164 ( 0.000 0.556 1.674) 1.764 11.200 ( 0.000 0.474 -1.805) 1.866 11.280 ( 0.000 -6.726 4.042) 7.847 11.329 ( 0.000 -5.940 -0.849) 6.001 11.495 ( 0.000 -4.483 3.511) 5.694 11.536 ( 0.000 -4.829 -0.514) 4.856 12.684 ( 0.000 2.263 2.805) 3.604 12.736 ( 0.000 3.286 -2.265) 3.991 12.825 ( 0.000 0.572 3.291) 3.341 12.873 ( 0.000 1.106 -1.281) 1.692 13.157 ( 0.000 5.023 3.153) 5.931 13.188 ( 0.000 4.348 3.218) 5.409 13.227 ( 0.000 6.344 -3.766) 7.378 13.252 ( 0.000 3.961 -3.017) 4.979 13.612 ( 0.000 0.108 1.709) 1.713 13.640 ( 0.000 -0.655 -0.710) 0.966 13.656 ( 0.000 -1.264 5.111) 5.265 13.794 ( 0.000 -3.685 -8.344) 9.121 13.969 ( 0.000 -3.466 8.048) 8.763 14.022 ( 0.000 -6.450 6.107) 8.882 14.098 ( 0.000 -5.518 -0.926) 5.595 14.155 ( 0.000 -5.555 -9.046) 10.615 14.323 ( 0.000 2.139 7.050) 7.367 14.424 ( 0.000 0.963 0.492) 1.081 14.482 ( 0.000 0.891 -4.875) 4.955 14.512 ( 0.000 -0.178 -10.381) 10.382 14.775 ( 0.000 0.853 0.678) 1.090 14.830 ( 0.000 -0.104 1.896) 1.899 14.863 ( 0.000 1.796 -7.396) 7.611 14.869 ( 0.000 1.377 -1.946) 2.383 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.20 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 11.420 -4.166 3.317) 12.601 1.955 ( 11.468 -2.580 -8.266) 14.370 2.595 ( -9.727 -3.170 3.773) 10.904 2.644 ( -8.230 -14.120 0.169) 16.344 2.826 ( 1.992 -7.885 3.867) 9.005 2.847 ( 2.132 -4.163 1.318) 4.859 2.920 ( 2.210 -5.358 1.476) 5.981 3.020 ( -1.289 -8.055 -5.029) 9.583 3.467 ( 7.246 7.462 17.710) 20.539 3.783 ( 7.196 6.742 -2.338) 10.134 3.830 ( 9.225 4.625 15.988) 19.029 4.292 ( -6.512 3.713 -1.081) 7.574 4.370 ( -5.730 1.564 -6.001) 8.444 4.435 ( -11.034 -0.349 7.479) 13.335 4.706 ( -8.449 -0.693 -0.339) 8.484 4.742 ( 2.133 -4.673 6.026) 7.918 4.776 ( -4.657 -1.872 -3.215) 5.961 4.879 ( -6.067 0.259 -2.979) 6.764 4.968 ( -3.494 -0.618 10.679) 11.253 5.105 ( 1.316 -3.586 -1.712) 4.186 5.122 ( 4.259 5.037 -0.536) 6.618 5.169 ( 1.596 1.342 -5.479) 5.863 5.309 ( 1.278 -0.197 9.325) 9.414 5.362 ( 2.846 2.293 16.269) 16.675 5.430 ( 1.411 3.265 -5.832) 6.832 5.498 ( 0.372 3.222 7.268) 7.959 5.542 ( 6.196 1.676 3.853) 7.486 5.627 ( 7.155 -5.822 -1.592) 9.361 5.662 ( 6.809 1.948 9.315) 11.702 5.817 ( 4.518 5.412 -8.051) 10.701 5.908 ( 9.922 -3.431 -5.617) 11.907 5.969 ( -2.979 -1.161 -0.012) 3.197 6.010 ( 0.304 0.841 3.801) 3.905 6.071 ( -3.829 1.996 4.121) 5.969 6.146 ( -3.121 -2.987 5.577) 7.055 6.241 ( -3.535 0.332 1.220) 3.755 6.266 ( -2.527 3.829 1.294) 4.766 6.313 ( -1.443 -5.232 -1.776) 5.711 6.328 ( -4.485 6.598 0.746) 8.012 6.424 ( 1.143 -2.390 8.039) 8.464 6.494 ( -4.087 5.549 0.680) 6.926 6.549 ( -1.528 -4.678 -3.808) 6.223 6.656 ( 4.909 1.766 -5.010) 7.233 6.708 ( -4.603 0.473 0.224) 4.633 6.729 ( 1.812 -1.850 1.853) 3.185 6.825 ( 1.646 -1.926 -5.112) 5.706 6.865 ( 3.922 -3.053 0.372) 4.985 6.927 ( 1.486 -0.436 0.527) 1.636 6.946 ( 3.220 2.788 -0.554) 4.295 7.013 ( -7.661 4.506 1.472) 9.009 7.088 ( 4.529 -0.677 -4.478) 6.405 7.158 ( -6.332 2.841 -7.637) 10.319 7.206 ( -3.282 1.748 -0.526) 3.756 7.269 ( -8.308 2.806 -7.945) 11.833 7.411 ( -2.847 -5.706 -4.613) 7.870 7.443 ( 1.869 -2.503 -5.312) 6.162 7.609 ( 0.736 -3.217 6.120) 6.953 7.661 ( 1.410 -1.337 1.396) 2.392 7.760 ( -4.732 1.032 0.041) 4.843 7.794 ( -8.816 -1.895 2.768) 9.433 7.888 ( -0.743 1.057 2.657) 2.955 7.943 ( -0.206 -2.492 3.767) 4.521 7.998 ( 0.704 3.354 -5.701) 6.652 8.120 ( 2.429 2.279 -10.622) 11.132 8.278 ( 4.256 1.663 2.605) 5.260 8.367 ( 6.796 -0.817 1.442) 6.996 8.411 ( 4.604 0.178 -7.697) 8.971 8.427 ( 4.558 -0.222 -3.424) 5.705 8.653 ( -0.876 0.223 5.165) 5.244 8.716 ( -1.789 -0.671 3.788) 4.243 8.739 ( -0.735 1.989 -1.311) 2.493 8.820 ( 0.261 0.442 -5.243) 5.269 9.015 ( 0.627 -0.189 1.586) 1.716 9.029 ( -0.575 -0.591 0.554) 0.994 9.060 ( 0.523 0.981 -0.567) 1.248 9.106 ( -0.317 0.375 -2.993) 3.033 9.895 ( 1.364 3.464 1.822) 4.145 9.914 ( 0.785 3.649 0.227) 3.740 9.987 ( 0.407 1.326 2.504) 2.863 10.006 ( -0.880 1.881 0.674) 2.183 10.217 ( -1.336 1.211 4.212) 4.582 10.279 ( 0.785 1.675 -1.486) 2.373 10.300 ( 0.501 0.045 3.774) 3.808 10.397 ( 1.311 -0.904 -4.753) 5.012 10.505 ( -1.424 -0.244 1.122) 1.830 10.540 ( -0.561 0.994 -2.273) 2.543 10.642 ( -0.764 -3.435 1.414) 3.793 10.691 ( -0.143 -2.103 -3.348) 3.956 10.834 ( 3.573 1.627 4.216) 5.761 10.912 ( 2.631 4.692 -3.373) 6.350 11.125 ( -3.825 0.340 2.033) 4.345 11.167 ( -3.412 0.739 -1.964) 4.006 11.315 ( 3.360 -6.288 3.147) 7.793 11.350 ( 2.111 -5.660 -0.231) 6.045 11.482 ( -1.389 -4.472 3.085) 5.608 11.517 ( -2.080 -4.740 -0.269) 5.183 12.700 ( 1.714 2.066 2.437) 3.626 12.743 ( 0.805 3.023 -1.798) 3.608 12.816 ( -1.029 0.862 2.695) 3.011 12.854 ( -2.088 1.118 -0.906) 2.536 13.159 ( 0.273 5.075 3.188) 5.999 13.186 ( -0.317 4.499 3.210) 5.536 13.228 ( 0.166 6.083 -3.598) 7.070 13.249 ( -0.276 4.175 -3.060) 5.184 13.618 ( 0.607 -0.001 2.369) 2.446 13.653 ( -0.284 -1.147 4.999) 5.137 13.663 ( 2.352 -0.887 -1.575) 2.966 13.785 ( -0.944 -3.425 -7.667) 8.451 13.981 ( 1.490 -3.624 7.834) 8.760 14.051 ( 2.470 -5.983 5.062) 8.218 14.119 ( 1.775 -5.262 -0.898) 5.626 14.181 ( 3.082 -6.059 -7.956) 10.465 14.270 ( -3.876 0.116 5.164) 6.458 14.392 ( -1.994 2.668 -3.982) 5.192 14.507 ( 1.371 -1.969 -2.214) 3.264 14.563 ( 2.218 -0.749 -6.923) 7.308 14.716 ( -3.841 1.118 2.005) 4.475 14.793 ( -2.493 3.313 -4.241) 5.931 14.847 ( -1.279 1.217 0.131) 1.770 14.890 ( -0.038 1.597 -4.653) 4.920 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.40 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 15.974 -5.286 3.857) 17.262 2.206 ( 14.640 -7.034 -7.458) 17.872 2.371 ( -14.368 -5.383 3.405) 15.717 2.458 ( -12.159 -10.990 -4.734) 17.059 2.869 ( 2.397 -6.541 5.137) 8.655 2.886 ( 1.354 -5.756 2.099) 6.275 2.940 ( 0.820 -5.031 -0.476) 5.120 2.980 ( -2.888 -7.595 -3.165) 8.720 3.662 ( 14.013 6.929 19.920) 25.322 3.933 ( -3.174 4.123 17.757) 18.504 3.985 ( -0.385 6.923 4.881) 8.479 4.084 ( 11.658 4.446 9.461) 15.658 4.210 ( -12.015 3.378 6.042) 13.866 4.404 ( -14.045 -0.113 -4.756) 14.829 4.498 ( 4.235 1.310 -16.278) 16.871 4.646 ( -8.340 -0.959 -12.234) 14.837 4.799 ( 4.093 -4.251 8.310) 10.192 4.877 ( -2.584 -1.123 9.160) 9.584 4.918 ( 3.261 -1.938 0.030) 3.793 5.039 ( -7.474 1.189 -3.393) 8.294 5.200 ( 4.693 3.374 -1.828) 6.062 5.211 ( 4.992 -2.873 -2.873) 6.436 5.292 ( -4.046 5.440 1.680) 6.985 5.333 ( -6.257 -3.462 -2.145) 7.465 5.524 ( 8.585 -0.350 9.009) 12.449 5.600 ( 9.587 2.516 13.063) 16.398 5.671 ( 5.326 -0.577 -0.452) 5.376 5.696 ( -4.711 1.771 3.967) 6.408 5.794 ( 6.535 -4.590 3.141) 8.581 5.862 ( -0.751 3.506 5.003) 6.155 5.914 ( -1.393 0.212 3.129) 3.431 5.967 ( 0.543 3.447 -0.445) 3.518 5.984 ( 0.540 -1.547 7.580) 7.755 6.106 ( -6.137 -0.060 3.030) 6.845 6.166 ( 1.668 1.005 -1.753) 2.620 6.202 ( 4.258 6.080 6.995) 10.199 6.206 ( -0.708 5.888 -2.721) 6.525 6.240 ( 0.430 0.641 3.660) 3.741 6.332 ( -0.853 -3.417 -2.386) 4.254 6.368 ( -3.913 -2.858 7.480) 8.912 6.415 ( -1.020 -1.800 6.081) 6.423 6.501 ( -6.097 -3.070 -1.124) 6.918 6.665 ( 2.359 2.563 -9.402) 10.027 6.735 ( -2.201 -1.410 -6.187) 6.716 6.770 ( 5.548 1.382 -2.124) 6.099 6.837 ( -2.464 1.910 -2.225) 3.830 6.881 ( 2.101 -0.112 -3.375) 3.977 6.904 ( 0.177 -3.134 1.257) 3.382 6.961 ( -0.919 2.334 -4.275) 4.957 6.998 ( -3.682 0.062 -1.904) 4.146 7.033 ( -3.115 6.930 -4.763) 8.968 7.100 ( -7.447 3.314 -4.856) 9.487 7.198 ( 9.109 -0.745 -1.639) 9.285 7.277 ( 10.227 -1.190 -5.968) 11.901 7.356 ( -5.361 -5.844 2.806) 8.412 7.474 ( -6.385 -4.108 -5.899) 9.615 7.535 ( 0.216 -1.710 3.027) 3.484 7.614 ( -6.389 -0.171 1.451) 6.554 7.644 ( -1.399 -0.323 -4.208) 4.446 7.688 ( -4.853 -0.120 -2.443) 5.435 7.907 ( 2.728 1.826 5.762) 6.631 7.946 ( -0.863 -0.236 6.955) 7.012 8.067 ( 4.923 1.834 -8.779) 10.230 8.130 ( -1.563 1.845 -9.599) 9.898 8.378 ( 5.660 1.272 3.899) 6.990 8.446 ( -0.607 -0.435 2.089) 2.219 8.477 ( 3.177 -0.723 -3.222) 4.582 8.491 ( 2.069 -0.325 -3.830) 4.365 8.648 ( 0.691 -0.620 3.644) 3.761 8.677 ( -2.219 -0.724 3.820) 4.476 8.753 ( 2.497 0.470 -5.584) 6.135 8.805 ( -2.220 0.242 -8.228) 8.526 9.010 ( 0.199 -0.028 4.813) 4.817 9.025 ( -0.898 -0.407 4.211) 4.324 9.076 ( 1.228 0.698 -1.315) 1.930 9.096 ( -0.888 0.090 -1.957) 2.151 9.931 ( 2.377 2.623 1.509) 3.848 9.940 ( 2.001 2.126 0.857) 3.042 9.975 ( -1.939 1.927 1.228) 2.997 9.979 ( -1.755 1.512 0.851) 2.468 10.222 ( 1.937 0.991 5.506) 5.921 10.271 ( -2.768 -0.066 5.726) 6.361 10.313 ( 2.706 1.875 -3.143) 4.552 10.373 ( -3.347 0.761 -3.755) 5.087 10.528 ( 3.552 -1.039 1.078) 3.855 10.573 ( 2.539 0.459 -2.233) 3.413 10.605 ( -2.101 -1.018 -0.365) 2.363 10.655 ( -3.525 0.283 -4.261) 5.537 10.922 ( 5.667 0.321 3.891) 6.882 10.980 ( 3.629 2.009 -0.507) 4.179 11.042 ( -4.269 0.842 0.772) 4.419 11.088 ( -4.985 1.568 -2.465) 5.778 11.385 ( 3.959 -5.785 2.044) 7.302 11.397 ( 2.941 -5.041 1.065) 5.933 11.447 ( -2.404 -4.644 1.927) 5.573 11.465 ( -3.515 -4.690 0.339) 5.871 12.743 ( 2.920 1.628 1.489) 3.660 12.764 ( 1.459 2.325 -0.522) 2.794 12.790 ( -1.697 1.538 1.255) 2.612 12.804 ( -3.058 1.348 0.012) 3.342 13.167 ( 0.554 5.070 3.217) 6.030 13.177 ( -0.564 4.832 3.213) 5.830 13.233 ( 0.423 5.444 -3.325) 6.393 13.242 ( -0.491 4.725 -3.153) 5.702 13.631 ( 0.784 -0.414 3.692) 3.797 13.645 ( -0.620 -0.862 4.647) 4.767 13.713 ( 2.865 -1.536 -3.815) 5.012 13.759 ( -1.995 -2.603 -6.034) 6.867 14.023 ( 2.906 -3.420 7.063) 8.368 14.070 ( -1.334 -4.514 5.645) 7.350 14.149 ( 2.094 -3.785 -2.436) 4.965 14.197 ( -2.819 -4.760 -3.624) 6.613 14.287 ( 7.004 -4.690 2.008) 8.665 14.399 ( 0.501 -1.383 -1.511) 2.109 14.455 ( -3.553 -2.417 -4.060) 5.912 14.530 ( -5.616 -1.464 -6.771) 8.918 14.720 ( 3.853 3.799 1.984) 5.763 14.797 ( -1.938 2.989 -0.727) 3.636 14.803 ( 1.104 3.259 -3.508) 4.914 14.862 ( -2.871 2.191 -5.110) 6.257 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 0.000 3.063 5.990) 6.727 1.878 ( 0.000 5.596 -10.804) 12.167 2.286 ( 0.000 -25.240 8.780) 26.724 2.467 ( 0.000 -22.519 -8.131) 23.942 2.722 ( 0.000 1.584 4.931) 5.179 2.809 ( 0.000 -2.308 5.857) 6.295 2.820 ( 0.000 -0.061 -4.657) 4.657 2.890 ( 0.000 -6.158 -1.821) 6.422 3.635 ( 0.000 16.634 16.153) 23.187 3.884 ( 0.000 10.121 24.122) 26.159 3.933 ( 0.000 14.733 -12.535) 19.344 4.280 ( 0.000 -4.015 -8.286) 9.208 4.352 ( 0.000 -11.164 17.374) 20.652 4.504 ( 0.000 -9.630 -2.746) 10.014 4.574 ( 0.000 -15.062 -4.147) 15.623 4.711 ( 0.000 0.543 -15.808) 15.818 4.838 ( 0.000 -2.122 13.097) 13.268 4.964 ( 0.000 9.646 18.049) 20.464 5.050 ( 0.000 -0.015 8.648) 8.648 5.099 ( 0.000 3.955 -6.565) 7.664 5.110 ( 0.000 8.307 5.217) 9.809 5.305 ( 0.000 -1.442 -12.669) 12.751 5.329 ( 0.000 -3.495 9.947) 10.543 5.335 ( 0.000 -4.759 4.185) 6.337 5.376 ( 0.000 7.743 0.988) 7.806 5.525 ( 0.000 8.279 -3.653) 9.049 5.586 ( 0.000 -0.338 5.888) 5.898 5.587 ( 0.000 3.540 8.355) 9.073 5.619 ( 0.000 -0.001 11.567) 11.567 5.726 ( 0.000 0.091 -1.253) 1.256 5.811 ( 0.000 -0.289 -12.978) 12.981 5.946 ( 0.000 -2.818 -14.648) 14.917 6.062 ( 0.000 0.453 12.554) 12.562 6.086 ( 0.000 3.470 2.767) 4.438 6.174 ( 0.000 -3.440 -5.430) 6.428 6.239 ( 0.000 4.013 9.702) 10.499 6.290 ( 0.000 -8.358 6.081) 10.336 6.343 ( 0.000 0.276 -5.429) 5.436 6.373 ( 0.000 -0.930 0.272) 0.969 6.392 ( 0.000 -2.187 0.354) 2.215 6.496 ( 0.000 -1.838 -1.425) 2.326 6.577 ( 0.000 -8.959 5.092) 10.305 6.626 ( 0.000 4.964 -6.878) 8.482 6.672 ( 0.000 -0.960 -0.906) 1.320 6.758 ( 0.000 -0.236 6.557) 6.561 6.793 ( 0.000 -0.529 1.247) 1.355 6.876 ( 0.000 -3.849 3.864) 5.454 6.881 ( 0.000 17.889 -2.309) 18.037 6.996 ( 0.000 5.238 -8.187) 9.719 7.020 ( 0.000 -1.050 -9.083) 9.144 7.162 ( 0.000 -1.712 0.393) 1.757 7.228 ( 0.000 0.681 -1.431) 1.585 7.283 ( 0.000 -0.971 0.077) 0.974 7.366 ( 0.000 3.697 -4.767) 6.033 7.454 ( 0.000 -7.537 5.144) 9.125 7.512 ( 0.000 6.807 -8.324) 10.753 7.513 ( 0.000 -5.425 -0.995) 5.515 7.518 ( 0.000 5.329 -5.770) 7.854 7.767 ( 0.000 -7.329 -0.787) 7.371 7.831 ( 0.000 -4.916 2.800) 5.657 7.864 ( 0.000 1.988 11.906) 12.070 7.904 ( 0.000 -4.173 3.009) 5.144 8.071 ( 0.000 3.285 -5.685) 6.566 8.134 ( 0.000 1.554 -10.419) 10.534 8.287 ( 0.000 2.141 0.996) 2.361 8.303 ( 0.000 2.517 1.598) 2.982 8.361 ( 0.000 -0.111 -4.376) 4.377 8.369 ( 0.000 -0.721 -5.534) 5.581 8.683 ( 0.000 1.063 6.387) 6.475 8.717 ( 0.000 -0.933 5.658) 5.735 8.813 ( 0.000 2.682 -4.896) 5.582 8.822 ( 0.000 0.753 -4.569) 4.630 8.998 ( 0.000 -0.383 3.326) 3.348 9.012 ( 0.000 -1.914 3.578) 4.057 9.078 ( 0.000 1.862 -4.101) 4.504 9.115 ( 0.000 -0.076 -5.033) 5.033 9.981 ( 0.000 5.723 2.958) 6.443 10.003 ( 0.000 4.574 0.655) 4.620 10.015 ( 0.000 2.138 3.561) 4.153 10.051 ( 0.000 1.827 0.342) 1.859 10.264 ( 0.000 0.242 4.712) 4.718 10.276 ( 0.000 0.989 2.953) 3.114 10.328 ( 0.000 2.416 -2.643) 3.581 10.355 ( 0.000 -0.624 -3.863) 3.913 10.521 ( 0.000 0.013 1.174) 1.174 10.562 ( 0.000 -0.871 -2.281) 2.442 10.565 ( 0.000 -3.352 1.685) 3.752 10.615 ( 0.000 -3.439 -3.224) 4.714 10.857 ( 0.000 3.770 6.882) 7.846 10.999 ( 0.000 5.508 -6.896) 8.826 11.119 ( 0.000 -9.523 5.158) 10.830 11.188 ( 0.000 2.360 2.460) 3.409 11.200 ( 0.000 -6.917 -2.545) 7.370 11.227 ( 0.000 2.721 -1.340) 3.033 11.386 ( 0.000 -6.662 3.145) 7.367 11.425 ( 0.000 -6.640 -0.768) 6.684 12.741 ( 0.000 3.516 3.730) 5.126 12.808 ( 0.000 4.015 -2.758) 4.871 12.829 ( 0.000 -0.483 3.771) 3.801 12.888 ( 0.000 0.144 -1.955) 1.960 13.275 ( 0.000 6.775 3.830) 7.783 13.295 ( 0.000 6.312 2.477) 6.781 13.344 ( 0.000 5.077 -2.173) 5.522 13.354 ( 0.000 6.046 -3.826) 7.155 13.610 ( 0.000 -0.866 1.732) 1.936 13.636 ( 0.000 -0.356 2.553) 2.577 13.637 ( 0.000 1.140 -1.070) 1.563 13.703 ( 0.000 -5.681 -3.359) 6.600 13.893 ( 0.000 -6.014 5.444) 8.112 13.894 ( 0.000 -3.784 5.080) 6.335 13.977 ( 0.000 -6.512 -2.334) 6.918 14.020 ( 0.000 -8.166 -6.039) 10.157 14.367 ( 0.000 2.441 4.192) 4.851 14.430 ( 0.000 -0.486 0.621) 0.788 14.498 ( 0.000 0.686 -5.698) 5.739 14.510 ( 0.000 -0.083 -8.777) 8.777 14.797 ( 0.000 1.275 2.000) 2.372 14.827 ( 0.000 -0.270 2.200) 2.216 14.896 ( 0.000 1.353 -6.898) 7.030 14.896 ( 0.000 1.222 -4.576) 4.737 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.20 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 8.912 1.022 5.171) 10.354 1.940 ( 6.372 2.454 -9.661) 11.830 2.269 ( -2.146 -22.197 6.554) 23.244 2.400 ( -6.984 -17.379 -5.704) 19.579 2.704 ( -0.697 -2.433 6.603) 7.071 2.797 ( -0.688 -1.859 -0.140) 1.987 2.857 ( 1.671 -1.955 -0.940) 2.739 2.876 ( -1.134 -6.157 -2.785) 6.852 3.685 ( 5.743 15.116 17.074) 23.516 3.936 ( 5.324 9.192 22.780) 25.135 3.993 ( 6.657 12.286 -11.462) 18.073 4.320 ( 0.669 -3.220 -1.038) 3.449 4.323 ( -1.442 -8.586 13.507) 16.070 4.466 ( -10.251 0.701 -0.932) 10.317 4.534 ( -0.814 -8.969 -0.312) 9.012 4.676 ( -1.661 -1.456 8.052) 8.350 4.710 ( -3.428 -5.912 -14.374) 15.916 4.928 ( -6.410 3.056 -2.066) 7.395 5.006 ( -5.477 2.758 9.603) 11.394 5.085 ( -2.225 1.210 8.421) 8.793 5.133 ( -3.110 -0.192 -3.787) 4.904 5.261 ( 2.143 4.757 5.549) 7.617 5.323 ( 4.666 0.083 7.795) 9.085 5.434 ( -2.335 5.311 -3.599) 6.827 5.473 ( 2.830 1.076 -4.537) 5.455 5.491 ( 1.505 -4.896 -0.362) 5.135 5.518 ( 3.916 -0.474 3.254) 5.113 5.600 ( 0.420 1.676 5.084) 5.369 5.727 ( 10.049 4.111 3.706) 11.472 5.837 ( 10.817 -2.304 3.865) 11.715 5.896 ( 2.622 0.829 -5.989) 6.590 5.976 ( -1.508 1.303 1.456) 2.468 6.011 ( 0.569 -0.904 -4.705) 4.824 6.079 ( -1.132 0.734 -1.079) 1.728 6.118 ( -3.456 -1.189 8.702) 9.438 6.222 ( 1.446 -1.655 5.324) 5.760 6.242 ( -3.844 -0.528 -1.222) 4.068 6.329 ( -3.205 -1.630 -0.199) 3.601 6.359 ( 3.535 0.602 0.778) 3.669 6.440 ( -3.441 -3.669 7.005) 8.624 6.504 ( 0.680 2.326 0.831) 2.561 6.537 ( -3.286 3.735 -1.538) 5.207 6.651 ( -0.755 -3.612 -2.119) 4.255 6.711 ( 3.275 -0.429 -5.172) 6.137 6.762 ( 0.249 -1.362 -1.405) 1.973 6.808 ( 3.848 -0.129 3.983) 5.540 6.875 ( 1.193 11.082 -0.247) 11.149 6.901 ( 0.624 -0.577 2.748) 2.876 6.997 ( 0.663 2.305 -2.453) 3.431 7.079 ( 1.725 0.940 -2.799) 3.420 7.104 ( -2.089 2.106 -1.605) 3.373 7.170 ( -3.865 -0.493 -0.511) 3.930 7.214 ( -4.380 -0.781 -4.968) 6.669 7.297 ( -5.440 -0.230 -6.480) 8.464 7.370 ( -7.532 -0.180 -2.832) 8.049 7.453 ( -1.649 3.170 -7.556) 8.358 7.535 ( -2.469 -2.963 4.100) 5.629 7.599 ( 3.081 -4.267 -0.532) 5.290 7.707 ( -4.892 -3.614 -2.760) 6.679 7.754 ( -8.310 -5.383 -4.049) 10.697 7.904 ( 3.867 -0.618 10.176) 10.904 7.923 ( 2.514 2.030 6.263) 7.048 8.079 ( 0.907 4.439 -5.787) 7.349 8.154 ( 0.968 1.056 -10.271) 10.370 8.306 ( 5.005 0.510 2.184) 5.484 8.358 ( 3.234 0.604 -0.659) 3.355 8.414 ( 4.511 -1.067 -2.703) 5.366 8.424 ( 4.983 0.909 -4.632) 6.864 8.657 ( -2.048 0.196 5.920) 6.267 8.701 ( -1.773 -0.659 5.318) 5.645 8.775 ( -2.263 1.369 -4.910) 5.577 8.835 ( -0.111 1.119 -6.740) 6.833 9.002 ( -0.316 -1.562 3.505) 3.851 9.015 ( 0.836 -0.105 4.688) 4.764 9.087 ( 0.413 1.280 -3.044) 3.328 9.112 ( -0.391 0.293 -3.710) 3.742 9.973 ( -0.425 4.127 2.574) 4.883 9.990 ( -0.767 3.697 0.856) 3.872 10.020 ( 0.006 1.998 2.894) 3.517 10.042 ( -1.048 1.575 0.847) 2.073 10.248 ( -0.699 1.840 4.632) 5.032 10.287 ( 0.241 -0.400 4.719) 4.742 10.331 ( 0.782 2.749 -3.248) 4.326 10.379 ( 1.695 -0.786 -3.922) 4.344 10.507 ( -1.096 0.192 1.880) 2.185 10.551 ( 0.664 -0.493 -0.855) 1.190 10.582 ( 0.787 -2.099 -0.351) 2.268 10.644 ( 1.680 -2.624 -4.843) 5.758 10.879 ( 2.496 3.406 6.736) 7.950 11.010 ( 1.392 5.199 -5.761) 7.884 11.132 ( -1.782 -1.578 4.291) 4.907 11.174 ( 1.610 -5.394 3.150) 6.451 11.197 ( -2.476 2.077 -2.264) 3.946 11.229 ( 2.354 -5.941 -1.614) 6.591 11.376 ( -1.301 -6.382 2.645) 7.030 11.407 ( -1.949 -6.487 -0.572) 6.797 12.751 ( 1.087 3.039 3.335) 4.641 12.808 ( 0.015 3.480 -2.134) 4.082 12.826 ( -0.283 0.027 2.940) 2.954 12.871 ( -1.800 0.407 -1.356) 2.290 13.279 ( 0.475 6.994 3.713) 7.933 13.297 ( 0.084 6.620 2.556) 7.097 13.344 ( 0.125 5.212 -2.092) 5.618 13.356 ( 0.090 6.378 -3.480) 7.266 13.620 ( 0.641 -0.623 1.556) 1.794 13.635 ( -0.147 -0.022 2.037) 2.043 13.644 ( 0.976 -0.622 -0.273) 1.190 13.700 ( -0.369 -5.450 -3.129) 6.295 13.899 ( 1.656 -4.199 5.311) 6.970 13.934 ( 2.820 -5.396 3.549) 7.047 13.996 ( 1.918 -6.646 -2.985) 7.534 14.037 ( 1.929 -8.528 -5.818) 10.502 14.292 ( -5.113 1.451 5.415) 7.587 14.427 ( -2.039 1.202 -3.962) 4.615 14.470 ( -1.696 -1.749 -2.593) 3.558 14.551 ( 0.545 -0.473 -7.046) 7.083 14.746 ( -1.111 1.504 3.294) 3.787 14.847 ( -1.023 2.230 -5.253) 5.798 14.868 ( 0.352 0.862 -0.446) 1.032 14.920 ( 0.163 1.346 -4.871) 5.056 ======================= Grid point 152 (57/60) ======================= q-point: ( 0.40 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 12.741 -3.978 3.014) 13.683 2.081 ( 8.351 -4.678 -6.092) 11.346 2.190 ( -7.586 -13.645 1.817) 15.717 2.236 ( -9.774 -10.166 -2.462) 14.315 2.718 ( 2.331 -6.780 6.841) 9.910 2.773 ( -2.700 -6.440 4.272) 8.186 2.851 ( 0.445 -3.693 -4.018) 5.475 2.873 ( -0.929 -2.909 -5.556) 6.340 3.849 ( 12.101 11.944 17.691) 24.537 4.039 ( 1.446 6.620 19.205) 20.365 4.142 ( -0.496 8.521 1.830) 8.729 4.180 ( 0.859 4.682 9.207) 10.364 4.240 ( -5.200 -1.332 13.005) 14.069 4.375 ( -7.030 -2.380 -7.291) 10.405 4.530 ( 3.080 1.769 -13.829) 14.278 4.618 ( -4.791 -1.998 -8.445) 9.913 4.726 ( 4.829 -3.584 5.852) 8.391 4.843 ( -6.827 -2.412 12.419) 14.376 4.939 ( 2.824 3.248 1.612) 4.596 5.031 ( -4.001 -1.483 3.338) 5.418 5.120 ( 2.277 -5.503 -2.228) 6.358 5.223 ( -6.446 -4.723 -2.141) 8.273 5.272 ( 0.055 2.494 -5.168) 5.739 5.372 ( -8.032 1.490 -7.567) 11.135 5.536 ( 8.638 1.859 4.940) 10.123 5.623 ( 4.216 -0.799 5.315) 6.831 5.661 ( 10.914 -0.232 5.149) 12.069 5.701 ( 2.279 -2.107 3.753) 4.870 5.767 ( 0.552 3.079 -2.469) 3.985 5.877 ( -0.993 -2.606 -4.318) 5.140 5.922 ( -8.472 1.774 5.732) 10.381 5.983 ( -5.677 -0.913 -0.026) 5.750 6.017 ( 8.009 2.847 8.791) 12.229 6.125 ( 11.920 -3.153 2.936) 12.675 6.162 ( 1.382 2.900 5.124) 6.047 6.183 ( -2.078 1.444 2.616) 3.640 6.258 ( 1.404 -3.170 -3.197) 4.716 6.300 ( -3.635 -1.022 1.978) 4.263 6.365 ( -3.035 4.710 -3.225) 6.465 6.387 ( -1.394 0.224 0.746) 1.597 6.437 ( 0.438 9.533 8.783) 12.970 6.516 ( -1.904 2.857 3.344) 4.792 6.666 ( 2.034 -3.539 0.540) 4.117 6.707 ( -1.719 1.348 -6.091) 6.470 6.783 ( 2.281 -0.994 -2.201) 3.322 6.820 ( -1.362 -2.947 0.971) 3.389 6.867 ( -3.224 -0.090 3.255) 4.582 6.876 ( -5.434 1.845 -3.873) 6.923 7.008 ( 4.745 4.345 -0.050) 6.434 7.092 ( -0.635 4.938 -0.255) 4.985 7.121 ( 0.232 2.238 -6.438) 6.820 7.156 ( -1.383 2.955 -2.627) 4.188 7.218 ( 1.909 0.067 -6.499) 6.774 7.252 ( 4.542 -1.475 -5.173) 7.040 7.257 ( -0.385 -2.649 1.777) 3.213 7.407 ( -7.003 -2.076 -6.490) 9.771 7.465 ( -0.286 -5.022 4.275) 6.601 7.549 ( -7.935 -5.099 1.978) 9.637 7.628 ( -2.162 -1.806 -7.381) 7.900 7.641 ( -2.768 -4.289 -6.534) 8.292 7.962 ( 1.768 2.520 6.710) 7.383 7.967 ( 1.616 2.357 6.439) 7.045 8.115 ( 2.912 3.012 -7.503) 8.594 8.157 ( -1.115 0.782 -8.712) 8.818 8.407 ( 4.527 0.839 2.082) 5.053 8.423 ( 2.901 -0.831 2.279) 3.781 8.483 ( 1.881 0.195 -3.485) 3.965 8.488 ( 1.444 0.782 -2.679) 3.142 8.634 ( 0.056 -0.810 4.600) 4.671 8.660 ( -2.346 -0.955 4.474) 5.141 8.761 ( 1.292 0.262 -6.849) 6.975 8.808 ( -2.777 0.094 -9.108) 9.523 9.003 ( 0.579 -0.637 5.725) 5.789 9.018 ( -0.644 -0.335 5.800) 5.845 9.090 ( 0.220 0.655 -2.277) 2.379 9.100 ( -0.801 0.367 -1.991) 2.178 9.979 ( 1.092 2.132 2.166) 3.230 9.990 ( 0.773 2.583 0.901) 2.843 10.006 ( -1.391 1.332 1.917) 2.717 10.016 ( -1.647 1.695 0.885) 2.523 10.251 ( 1.034 1.879 6.068) 6.435 10.275 ( -1.318 0.481 6.242) 6.397 10.358 ( 1.868 2.598 -3.772) 4.946 10.387 ( -0.963 0.561 -4.332) 4.474 10.513 ( 1.796 -0.528 3.213) 3.719 10.549 ( -1.456 -2.306 2.597) 3.766 10.611 ( 2.496 0.891 -5.641) 6.233 10.649 ( -1.171 -0.710 -6.321) 6.468 10.948 ( 4.879 2.519 6.173) 8.262 11.038 ( -2.475 3.784 2.917) 5.381 11.069 ( 0.381 2.259 -2.477) 3.374 11.132 ( -4.065 3.186 -3.074) 6.010 11.251 ( 4.867 -7.750 2.700) 9.541 11.285 ( 3.172 -6.181 0.174) 6.949 11.336 ( -2.918 -6.590 1.226) 7.310 11.356 ( -3.377 -6.254 -0.356) 7.116 12.780 ( 2.066 1.964 2.270) 3.644 12.809 ( -0.163 2.052 -0.135) 2.063 12.819 ( -0.387 1.264 0.945) 1.625 12.831 ( -2.107 1.317 -0.321) 2.505 13.289 ( 0.547 7.300 3.361) 8.055 13.296 ( -0.182 7.152 2.881) 7.712 13.349 ( 0.320 5.787 -2.182) 6.193 13.354 ( -0.247 6.401 -2.765) 6.978 13.626 ( 0.234 -0.238 2.251) 2.276 13.631 ( -0.253 -0.244 2.503) 2.528 13.669 ( 1.432 -3.061 -1.543) 3.716 13.689 ( -0.803 -4.633 -2.553) 5.350 13.943 ( 2.579 -4.134 3.523) 6.012 13.968 ( 0.293 -5.189 2.367) 5.711 14.038 ( 2.561 -6.641 -4.626) 8.488 14.071 ( 0.149 -8.096 -7.279) 10.888 14.245 ( 1.980 -0.196 9.757) 9.958 14.352 ( -7.321 -2.236 5.741) 9.568 14.443 ( 1.817 0.151 -9.231) 9.410 14.509 ( -4.226 -0.637 -8.392) 9.417 14.782 ( 3.842 2.470 1.566) 4.828 14.847 ( -2.634 2.066 0.309) 3.362 14.858 ( 2.107 2.290 -5.248) 6.101 14.902 ( -2.043 1.720 -4.774) 5.470 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 0.000 -16.827 8.465) 18.837 1.876 ( 0.000 16.827 8.465) 18.837 2.085 ( 0.000 -16.642 -10.918) 19.904 2.085 ( 0.000 16.642 -10.918) 19.904 2.762 ( 0.000 -2.317 3.879) 4.518 2.762 ( 0.000 2.317 3.879) 4.518 2.823 ( 0.000 -1.059 -1.519) 1.852 2.823 ( 0.000 1.059 -1.519) 1.852 3.991 ( 0.000 -20.068 12.875) 23.843 3.991 ( 0.000 20.068 12.875) 23.843 4.101 ( 0.000 -11.176 16.736) 20.124 4.101 ( 0.000 11.176 16.736) 20.124 4.259 ( 0.000 -15.553 -4.747) 16.262 4.259 ( 0.000 15.553 -4.747) 16.262 4.561 ( 0.000 -9.364 -16.951) 19.365 4.561 ( 0.000 9.364 -16.951) 19.365 4.965 ( 0.000 -6.815 9.537) 11.721 4.965 ( 0.000 6.815 9.537) 11.721 5.133 ( 0.000 -4.926 12.924) 13.832 5.133 ( 0.000 4.926 12.924) 13.832 5.231 ( 0.000 -0.402 -7.679) 7.690 5.231 ( 0.000 0.402 -7.679) 7.690 5.263 ( 0.000 -4.067 5.579) 6.904 5.263 ( 0.000 4.067 5.579) 6.904 5.521 ( 0.000 -5.247 7.193) 8.903 5.521 ( 0.000 5.247 7.193) 8.903 5.610 ( 0.000 -0.403 6.416) 6.429 5.610 ( 0.000 0.403 6.416) 6.429 5.707 ( 0.000 -7.818 -7.550) 10.869 5.707 ( 0.000 7.818 -7.550) 10.869 5.833 ( 0.000 -6.974 -10.893) 12.934 5.833 ( 0.000 6.974 -10.893) 12.934 6.099 ( 0.000 -3.991 9.734) 10.521 6.099 ( 0.000 3.991 9.734) 10.521 6.230 ( 0.000 -9.090 2.253) 9.365 6.230 ( 0.000 9.090 2.253) 9.365 6.283 ( 0.000 -4.282 -0.359) 4.297 6.283 ( 0.000 4.282 -0.359) 4.297 6.358 ( 0.000 -0.856 -9.748) 9.785 6.358 ( 0.000 0.856 -9.748) 9.785 6.444 ( 0.000 -1.177 10.167) 10.235 6.444 ( 0.000 1.177 10.167) 10.235 6.666 ( 0.000 -0.002 -7.060) 7.060 6.666 ( 0.000 0.002 -7.060) 7.060 6.795 ( 0.000 -4.083 8.884) 9.777 6.795 ( 0.000 4.083 8.884) 9.777 6.925 ( 0.000 -8.899 -3.835) 9.690 6.925 ( 0.000 8.899 -3.835) 9.690 7.080 ( 0.000 -5.295 -2.234) 5.747 7.080 ( 0.000 5.295 -2.234) 5.747 7.203 ( 0.000 -10.812 -8.843) 13.967 7.203 ( 0.000 10.812 -8.843) 13.967 7.282 ( 0.000 -2.022 7.619) 7.882 7.282 ( 0.000 2.022 7.619) 7.882 7.436 ( 0.000 -2.745 -3.154) 4.181 7.436 ( 0.000 2.745 -3.154) 4.181 7.630 ( 0.000 -6.872 -5.024) 8.513 7.630 ( 0.000 6.872 -5.024) 8.513 7.680 ( 0.000 -9.523 -6.641) 11.609 7.680 ( 0.000 9.523 -6.641) 11.609 7.879 ( 0.000 -0.010 13.343) 13.343 7.879 ( 0.000 0.010 13.343) 13.343 8.125 ( 0.000 -2.094 -7.075) 7.379 8.125 ( 0.000 2.094 -7.075) 7.379 8.331 ( 0.000 -0.570 -1.490) 1.595 8.331 ( 0.000 0.570 -1.490) 1.595 8.350 ( 0.000 -0.349 -2.561) 2.585 8.350 ( 0.000 0.349 -2.561) 2.585 8.701 ( 0.000 -0.654 6.513) 6.546 8.701 ( 0.000 0.654 6.513) 6.546 8.835 ( 0.000 -0.044 -6.750) 6.751 8.835 ( 0.000 0.044 -6.750) 6.751 8.992 ( 0.000 -0.022 5.546) 5.546 8.992 ( 0.000 0.022 5.546) 5.546 9.106 ( 0.000 -0.936 -5.163) 5.247 9.106 ( 0.000 0.936 -5.163) 5.247 10.044 ( 0.000 -0.228 2.690) 2.699 10.044 ( 0.000 0.228 2.690) 2.699 10.058 ( 0.000 -1.617 1.758) 2.389 10.058 ( 0.000 1.617 1.758) 2.389 10.277 ( 0.000 -0.764 4.177) 4.246 10.277 ( 0.000 0.764 4.177) 4.246 10.354 ( 0.000 -0.139 -3.495) 3.497 10.354 ( 0.000 0.139 -3.495) 3.497 10.525 ( 0.000 -0.688 1.126) 1.319 10.525 ( 0.000 0.688 1.126) 1.319 10.563 ( 0.000 -1.631 -2.718) 3.170 10.563 ( 0.000 1.631 -2.718) 3.170 10.957 ( 0.000 -7.112 6.825) 9.857 10.957 ( 0.000 7.112 6.825) 9.857 11.091 ( 0.000 -4.762 -6.065) 7.711 11.091 ( 0.000 4.762 -6.065) 7.711 11.265 ( 0.000 -5.643 3.164) 6.469 11.265 ( 0.000 5.643 3.164) 6.469 11.306 ( 0.000 -5.581 -1.122) 5.693 11.306 ( 0.000 5.581 -1.122) 5.693 12.801 ( 0.000 -2.497 4.040) 4.749 12.801 ( 0.000 2.497 4.040) 4.749 12.870 ( 0.000 -2.264 -2.607) 3.453 12.870 ( 0.000 2.264 -2.607) 3.453 13.362 ( 0.000 -0.916 2.570) 2.729 13.362 ( 0.000 0.916 2.570) 2.729 13.410 ( 0.000 -0.692 -2.086) 2.198 13.410 ( 0.000 0.692 -2.086) 2.198 13.610 ( 0.000 -2.611 2.645) 3.717 13.610 ( 0.000 2.611 2.645) 3.717 13.650 ( 0.000 -0.884 -1.249) 1.530 13.650 ( 0.000 0.884 -1.249) 1.530 13.851 ( 0.000 -1.198 2.323) 2.614 13.851 ( 0.000 1.198 2.323) 2.614 13.905 ( 0.000 -1.180 -2.873) 3.106 13.905 ( 0.000 1.180 -2.873) 3.106 14.408 ( 0.000 -1.085 1.928) 2.212 14.408 ( 0.000 1.085 1.928) 2.212 14.507 ( 0.000 -0.048 -7.159) 7.159 14.507 ( 0.000 0.048 -7.159) 7.159 14.817 ( 0.000 -0.291 2.396) 2.414 14.817 ( 0.000 0.291 2.396) 2.414 14.908 ( 0.000 -0.002 -6.143) 6.143 14.908 ( 0.000 0.002 -6.143) 6.143 ======================= Grid point 157 (59/60) ======================= q-point: ( 0.20 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 3.757 0.000 5.895) 6.990 1.923 ( 3.974 -0.000 7.763) 8.721 2.069 ( -0.090 0.000 -9.636) 9.636 2.107 ( 0.395 -0.000 -9.135) 9.144 2.693 ( -3.469 0.000 7.720) 8.464 2.772 ( -2.816 0.000 3.652) 4.612 2.816 ( -0.554 0.000 -3.932) 3.971 2.841 ( 1.700 0.000 -3.777) 4.142 3.930 ( 0.468 0.000 14.027) 14.035 4.114 ( 2.579 0.000 18.568) 18.747 4.116 ( 4.182 -0.000 18.971) 19.427 4.170 ( 7.152 0.000 11.109) 13.212 4.200 ( -0.561 -0.000 -5.597) 5.625 4.354 ( 2.879 0.000 -4.089) 5.001 4.566 ( 0.659 -0.000 -13.651) 13.667 4.567 ( 0.456 0.000 -15.378) 15.384 4.732 ( -10.142 0.000 7.177) 12.425 4.942 ( -7.320 0.000 11.396) 13.544 5.024 ( -8.080 0.000 -13.317) 15.576 5.100 ( -4.543 0.000 5.906) 7.452 5.147 ( -6.608 0.000 20.428) 21.470 5.288 ( 1.153 0.000 3.393) 3.584 5.353 ( 5.715 -0.000 8.424) 10.180 5.406 ( 2.487 0.000 4.785) 5.393 5.486 ( 4.886 -0.000 -2.514) 5.495 5.499 ( 7.718 0.000 -1.166) 7.806 5.540 ( -7.080 0.000 -13.930) 15.626 5.605 ( -6.482 0.000 -6.424) 9.126 5.781 ( 11.337 0.000 2.666) 11.647 5.819 ( 12.034 0.000 10.941) 16.265 5.873 ( 6.083 0.000 -3.821) 7.183 5.989 ( -8.093 0.000 2.949) 8.613 6.035 ( 4.630 0.000 0.777) 4.694 6.064 ( -6.899 0.000 -5.226) 8.655 6.088 ( 3.002 0.000 0.115) 3.004 6.192 ( -6.391 0.000 -1.683) 6.609 6.276 ( 0.638 -0.000 9.160) 9.182 6.304 ( -0.974 -0.000 7.395) 7.459 6.395 ( 2.415 0.000 0.703) 2.516 6.404 ( 5.606 0.000 1.443) 5.789 6.466 ( 2.872 0.000 -10.698) 11.076 6.552 ( 0.915 0.000 8.444) 8.493 6.624 ( -1.915 0.000 -3.868) 4.316 6.705 ( 3.757 0.000 -0.489) 3.788 6.773 ( -2.101 0.000 -2.165) 3.017 6.804 ( -0.805 0.000 8.969) 9.005 6.899 ( 3.507 0.000 -5.138) 6.221 7.032 ( 3.128 -0.000 1.951) 3.686 7.046 ( -2.288 0.000 9.039) 9.324 7.102 ( -0.642 0.000 -9.876) 9.897 7.115 ( -2.036 0.000 -9.955) 10.161 7.115 ( -4.491 -0.000 6.141) 7.608 7.239 ( -0.227 -0.000 -7.703) 7.706 7.286 ( -8.096 0.000 -6.261) 10.234 7.325 ( -5.410 0.000 6.819) 8.704 7.484 ( 0.646 0.000 1.523) 1.654 7.524 ( -7.454 0.000 -4.178) 8.546 7.617 ( -3.836 0.000 -8.984) 9.768 7.627 ( -6.369 -0.000 -6.515) 9.111 7.666 ( -1.471 0.000 -4.895) 5.111 7.896 ( 4.155 0.000 11.732) 12.446 7.951 ( 4.271 -0.000 9.308) 10.241 8.134 ( 0.985 0.000 -7.212) 7.279 8.155 ( 1.234 0.000 -9.495) 9.575 8.303 ( 2.817 0.000 2.118) 3.524 8.386 ( 3.203 0.000 2.047) 3.801 8.388 ( 4.497 0.000 -6.242) 7.693 8.434 ( 5.413 0.000 -2.685) 6.042 8.659 ( -2.675 0.000 6.310) 6.854 8.695 ( -1.777 0.000 5.848) 6.113 8.787 ( -2.697 0.000 -6.370) 6.917 8.849 ( -0.790 0.000 -8.646) 8.682 8.983 ( 0.217 0.000 5.971) 5.975 9.014 ( 0.881 0.000 6.308) 6.369 9.098 ( -0.218 0.000 -4.918) 4.922 9.117 ( 0.079 0.000 -3.457) 3.458 10.020 ( -2.167 0.000 2.607) 3.390 10.027 ( -1.122 0.000 1.591) 1.947 10.040 ( -0.837 -0.000 2.677) 2.804 10.058 ( -1.025 0.000 1.264) 1.628 10.269 ( -0.012 0.000 5.149) 5.149 10.282 ( 0.018 0.000 4.960) 4.960 10.368 ( 1.393 0.000 -3.865) 4.108 10.370 ( 1.367 0.000 -3.886) 4.119 10.513 ( -0.385 0.000 1.968) 2.005 10.519 ( -0.320 -0.000 3.413) 3.428 10.582 ( 2.185 0.000 -4.426) 4.936 10.610 ( 2.815 0.000 -5.358) 6.052 10.945 ( 0.949 -0.000 7.352) 7.413 11.029 ( 5.369 0.000 5.880) 7.962 11.088 ( 0.917 -0.000 -6.343) 6.409 11.133 ( 2.906 0.000 -3.954) 4.907 11.194 ( -4.598 0.000 3.755) 5.936 11.259 ( -3.453 0.000 -2.461) 4.240 11.288 ( -0.369 0.000 2.304) 2.334 11.311 ( -1.059 -0.000 -0.232) 1.084 12.792 ( -0.037 0.000 3.953) 3.954 12.817 ( 0.855 0.000 2.833) 2.959 12.858 ( -1.232 -0.000 -1.176) 1.703 12.861 ( -0.808 0.000 -2.702) 2.820 13.367 ( 0.638 0.000 2.874) 2.944 13.373 ( 0.935 0.000 2.241) 2.428 13.402 ( -0.002 0.000 -0.751) 0.751 13.428 ( 0.804 0.000 -2.801) 2.914 13.607 ( -0.121 0.000 2.409) 2.412 13.611 ( -0.055 -0.000 2.629) 2.630 13.647 ( -0.225 0.000 -1.389) 1.407 13.648 ( -0.206 -0.000 -0.799) 0.825 13.870 ( 1.948 0.000 1.365) 2.378 13.879 ( 2.704 0.000 1.304) 3.002 13.921 ( 1.653 -0.000 -3.311) 3.700 13.922 ( 1.898 0.000 -2.696) 3.297 14.307 ( -5.445 0.000 4.625) 7.144 14.440 ( -2.509 0.000 2.417) 3.484 14.450 ( -2.137 0.000 -8.590) 8.852 14.546 ( -0.006 0.000 -7.169) 7.169 14.761 ( -0.242 0.000 3.532) 3.540 14.870 ( -1.143 -0.000 -6.694) 6.791 14.875 ( 1.524 0.000 0.539) 1.617 14.934 ( 0.270 0.000 -4.953) 4.961 ======================= Grid point 159 (60/60) ======================= q-point: ( 0.40 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 4.07e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 4.125 0.000 2.235) 4.691 1.997 ( 3.190 -0.000 3.358) 4.631 2.072 ( 0.065 0.000 -5.907) 5.908 2.091 ( -1.919 -0.000 -5.294) 5.631 2.657 ( 0.101 0.000 9.243) 9.244 2.701 ( -4.104 0.000 7.209) 8.295 2.819 ( 1.142 0.000 -6.570) 6.669 2.846 ( -1.147 0.000 -7.320) 7.409 4.014 ( 8.466 0.000 13.957) 16.324 4.156 ( 1.441 0.000 23.349) 23.394 4.156 ( 0.107 -0.000 21.030) 21.031 4.198 ( -7.388 0.000 10.786) 13.073 4.259 ( 5.985 -0.000 -9.947) 11.609 4.339 ( -1.599 0.000 -1.233) 2.020 4.572 ( 0.113 -0.000 -9.428) 9.428 4.575 ( -0.072 0.000 -8.223) 8.224 4.687 ( 4.392 0.000 1.139) 4.538 4.811 ( -7.319 0.000 8.128) 10.938 4.980 ( 1.090 0.000 -2.056) 2.327 5.011 ( -4.240 0.000 10.931) 11.725 5.049 ( 0.881 0.000 6.236) 6.298 5.176 ( -7.711 0.000 -7.026) 10.432 5.337 ( -4.513 0.000 -6.877) 8.226 5.343 ( -6.945 -0.000 -10.642) 12.707 5.565 ( 7.142 0.000 0.113) 7.143 5.617 ( 8.128 -0.000 -1.357) 8.240 5.631 ( 6.111 0.000 11.344) 12.885 5.707 ( 5.183 0.000 5.020) 7.215 5.793 ( -4.628 0.000 -5.204) 6.964 5.869 ( 0.774 0.000 -5.787) 5.838 5.917 ( -8.135 0.000 7.142) 10.825 5.966 ( -4.064 0.000 4.559) 6.107 6.061 ( 12.680 0.000 3.560) 13.170 6.121 ( 7.901 0.000 -2.052) 8.163 6.134 ( 3.821 -0.000 2.577) 4.609 6.210 ( 2.957 0.000 -5.462) 6.211 6.252 ( -5.358 0.000 5.782) 7.882 6.258 ( -3.531 -0.000 8.062) 8.802 6.400 ( -1.842 0.000 -3.808) 4.231 6.429 ( -5.332 0.000 -6.399) 8.329 6.532 ( 1.974 0.000 9.138) 9.349 6.549 ( 6.532 0.000 4.576) 7.975 6.624 ( 2.534 0.000 6.363) 6.849 6.728 ( -3.067 0.000 7.983) 8.551 6.764 ( 0.343 0.000 -7.817) 7.825 6.772 ( -1.338 0.000 -0.048) 1.339 6.876 ( -2.945 0.000 0.024) 2.945 6.933 ( -7.561 0.000 -5.136) 9.141 7.090 ( 5.105 -0.000 4.092) 6.543 7.123 ( 0.430 -0.000 -5.247) 5.264 7.143 ( -0.225 0.000 -0.367) 0.430 7.165 ( 1.267 0.000 11.605) 11.674 7.188 ( 2.997 -0.000 -3.333) 4.482 7.203 ( -2.677 0.000 -9.092) 9.477 7.282 ( 4.880 0.000 -4.309) 6.510 7.406 ( -3.122 0.000 -2.061) 3.741 7.413 ( -8.331 -0.000 -4.342) 9.395 7.484 ( -8.097 0.000 1.861) 8.308 7.576 ( -0.408 0.000 -12.513) 12.520 7.605 ( -3.446 0.000 -9.230) 9.852 7.979 ( 3.506 0.000 7.166) 7.977 8.002 ( 0.972 0.000 6.305) 6.379 8.150 ( 0.887 0.000 -6.859) 6.916 8.162 ( -0.188 0.000 -8.276) 8.278 8.394 ( 5.237 0.000 3.070) 6.070 8.437 ( 1.146 0.000 3.086) 3.292 8.482 ( 4.122 0.000 -5.629) 6.977 8.501 ( 1.588 0.000 -2.141) 2.665 8.625 ( -0.517 0.000 5.470) 5.495 8.650 ( -2.681 0.000 4.447) 5.193 8.763 ( 0.709 0.000 -7.502) 7.536 8.809 ( -3.293 0.000 -9.762) 10.303 8.995 ( 0.980 0.000 6.533) 6.606 9.014 ( -0.853 0.000 6.766) 6.820 9.096 ( 0.104 0.000 -3.130) 3.132 9.106 ( -0.951 0.000 -1.905) 2.129 10.001 ( 0.258 0.000 2.547) 2.560 10.016 ( 0.092 0.000 0.903) 0.908 10.019 ( -1.323 0.000 2.203) 2.570 10.032 ( -1.469 0.000 1.143) 1.861 10.275 ( 0.464 0.000 6.264) 6.281 10.281 ( -0.162 0.000 6.112) 6.114 10.390 ( 0.798 0.000 -4.179) 4.255 10.391 ( 0.690 -0.000 -4.378) 4.432 10.512 ( 0.131 0.000 3.451) 3.453 10.515 ( -0.205 -0.000 4.553) 4.558 10.622 ( 1.896 0.000 -6.668) 6.932 10.639 ( 0.224 0.000 -7.201) 7.205 10.991 ( 4.046 0.000 7.121) 8.191 11.080 ( -4.994 0.000 5.877) 7.712 11.123 ( 2.875 -0.000 -5.377) 6.097 11.146 ( 5.531 0.000 4.361) 7.044 11.189 ( -3.453 0.000 -4.729) 5.856 11.210 ( 3.659 0.000 -1.971) 4.156 11.246 ( -4.200 -0.000 2.061) 4.678 11.273 ( -2.912 -0.000 -0.296) 2.927 12.802 ( 1.119 0.000 2.737) 2.957 12.828 ( -1.012 0.000 0.945) 1.384 12.832 ( 0.013 0.000 0.641) 0.641 12.845 ( -0.845 0.000 -1.382) 1.620 13.380 ( 0.586 0.000 2.831) 2.891 13.385 ( 0.148 -0.000 2.285) 2.290 13.412 ( 1.131 0.000 -0.417) 1.206 13.431 ( -0.586 0.000 -1.766) 1.861 13.606 ( 0.035 0.000 2.248) 2.249 13.609 ( -0.181 -0.000 2.349) 2.356 13.644 ( -0.044 0.000 -1.230) 1.231 13.645 ( -0.105 0.000 -0.880) 0.886 13.905 ( 1.522 0.000 0.403) 1.575 13.915 ( 0.661 0.000 0.191) 0.688 13.961 ( 2.315 0.000 -5.141) 5.638 13.970 ( 2.112 0.000 -5.687) 6.066 14.247 ( 0.215 0.000 9.493) 9.496 14.331 ( -7.461 0.000 7.426) 10.527 14.445 ( 1.812 0.000 -9.845) 10.010 14.504 ( -3.814 0.000 -8.905) 9.688 14.806 ( 3.870 0.000 1.442) 4.130 14.867 ( -2.282 0.000 0.278) 2.298 14.881 ( 1.960 0.000 -5.490) 5.829 14.919 ( -1.753 0.000 -4.647) 4.966 =================== 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 3/32400 10.0 1124.520 547.884 678.638 0.000 0.000 0.000 3/32400 20.0 285.849 140.019 207.304 0.000 0.000 0.000 3/32400 30.0 131.280 56.263 115.561 0.000 0.000 0.000 3/32400 40.0 70.691 32.110 67.761 0.000 0.000 0.000 3/32400 50.0 44.316 21.718 44.036 0.000 0.000 0.000 3/32400 60.0 30.918 16.140 31.426 0.000 0.000 0.000 3/32400 70.0 23.241 12.727 24.059 0.000 0.000 0.000 3/32400 80.0 18.422 10.453 19.372 0.000 0.000 0.000 3/32400 90.0 15.177 8.842 16.179 0.000 0.000 0.000 3/32400 100.0 12.871 7.648 13.882 0.000 0.000 0.000 3/32400 110.0 11.159 6.731 12.157 0.000 0.000 0.000 3/32400 120.0 9.844 6.009 10.817 0.000 0.000 0.000 3/32400 130.0 8.805 5.425 9.748 0.000 0.000 0.000 3/32400 140.0 7.966 4.945 8.875 0.000 0.000 0.000 3/32400 150.0 7.275 4.544 8.150 0.000 0.000 0.000 3/32400 160.0 6.696 4.203 7.538 0.000 0.000 0.000 3/32400 170.0 6.204 3.911 7.014 0.000 0.000 0.000 3/32400 180.0 5.781 3.658 6.561 0.000 0.000 0.000 3/32400 190.0 5.414 3.437 6.164 0.000 0.000 0.000 3/32400 200.0 5.092 3.241 5.815 0.000 0.000 0.000 3/32400 210.0 4.807 3.067 5.505 0.000 0.000 0.000 3/32400 220.0 4.554 2.911 5.227 0.000 0.000 0.000 3/32400 230.0 4.326 2.771 4.977 0.000 0.000 0.000 3/32400 240.0 4.121 2.644 4.750 0.000 0.000 0.000 3/32400 250.0 3.935 2.529 4.544 0.000 0.000 0.000 3/32400 260.0 3.766 2.423 4.356 0.000 0.000 0.000 3/32400 270.0 3.611 2.327 4.183 0.000 0.000 0.000 3/32400 280.0 3.469 2.238 4.024 0.000 0.000 0.000 3/32400 290.0 3.338 2.155 3.876 0.000 0.000 0.000 3/32400 300.0 3.217 2.079 3.740 0.000 0.000 0.000 3/32400 310.0 3.104 2.008 3.613 0.000 0.000 0.000 3/32400 320.0 3.000 1.942 3.494 0.000 0.000 0.000 3/32400 330.0 2.902 1.880 3.384 0.000 0.000 0.000 3/32400 340.0 2.811 1.822 3.280 0.000 0.000 0.000 3/32400 350.0 2.725 1.767 3.183 0.000 0.000 0.000 3/32400 360.0 2.645 1.716 3.091 0.000 0.000 0.000 3/32400 370.0 2.569 1.668 3.005 0.000 0.000 0.000 3/32400 380.0 2.498 1.622 2.923 0.000 0.000 0.000 3/32400 390.0 2.430 1.579 2.846 0.000 0.000 0.000 3/32400 400.0 2.367 1.538 2.773 0.000 0.000 0.000 3/32400 410.0 2.306 1.500 2.703 0.000 0.000 0.000 3/32400 420.0 2.249 1.463 2.637 0.000 0.000 0.000 3/32400 430.0 2.194 1.428 2.574 0.000 0.000 0.000 3/32400 440.0 2.142 1.395 2.514 0.000 0.000 0.000 3/32400 450.0 2.093 1.363 2.457 0.000 0.000 0.000 3/32400 460.0 2.046 1.333 2.403 0.000 0.000 0.000 3/32400 470.0 2.001 1.304 2.351 0.000 0.000 0.000 3/32400 480.0 1.958 1.276 2.301 0.000 0.000 0.000 3/32400 490.0 1.916 1.249 2.253 0.000 0.000 0.000 3/32400 500.0 1.877 1.224 2.207 0.000 0.000 0.000 3/32400 510.0 1.839 1.199 2.163 0.000 0.000 0.000 3/32400 520.0 1.803 1.176 2.121 0.000 0.000 0.000 3/32400 530.0 1.768 1.153 2.081 0.000 0.000 0.000 3/32400 540.0 1.734 1.131 2.042 0.000 0.000 0.000 3/32400 550.0 1.702 1.111 2.004 0.000 0.000 0.000 3/32400 560.0 1.671 1.090 1.968 0.000 0.000 0.000 3/32400 570.0 1.641 1.071 1.933 0.000 0.000 0.000 3/32400 580.0 1.612 1.052 1.899 0.000 0.000 0.000 3/32400 590.0 1.584 1.034 1.867 0.000 0.000 0.000 3/32400 600.0 1.557 1.017 1.835 0.000 0.000 0.000 3/32400 610.0 1.531 1.000 1.805 0.000 0.000 0.000 3/32400 620.0 1.506 0.984 1.776 0.000 0.000 0.000 3/32400 630.0 1.481 0.968 1.747 0.000 0.000 0.000 3/32400 640.0 1.458 0.953 1.720 0.000 0.000 0.000 3/32400 650.0 1.435 0.938 1.693 0.000 0.000 0.000 3/32400 660.0 1.413 0.923 1.667 0.000 0.000 0.000 3/32400 670.0 1.391 0.909 1.642 0.000 0.000 0.000 3/32400 680.0 1.371 0.896 1.618 0.000 0.000 0.000 3/32400 690.0 1.350 0.883 1.594 0.000 0.000 0.000 3/32400 700.0 1.331 0.870 1.571 0.000 0.000 0.000 3/32400 710.0 1.312 0.858 1.549 0.000 0.000 0.000 3/32400 720.0 1.293 0.846 1.527 0.000 0.000 0.000 3/32400 730.0 1.275 0.834 1.506 0.000 0.000 0.000 3/32400 740.0 1.258 0.823 1.486 0.000 0.000 0.000 3/32400 750.0 1.241 0.812 1.466 0.000 0.000 0.000 3/32400 760.0 1.224 0.801 1.447 0.000 0.000 0.000 3/32400 770.0 1.208 0.790 1.428 0.000 0.000 0.000 3/32400 780.0 1.193 0.780 1.409 0.000 0.000 0.000 3/32400 790.0 1.177 0.770 1.391 0.000 0.000 0.000 3/32400 800.0 1.163 0.761 1.374 0.000 0.000 0.000 3/32400 810.0 1.148 0.751 1.357 0.000 0.000 0.000 3/32400 820.0 1.134 0.742 1.340 0.000 0.000 0.000 3/32400 830.0 1.120 0.733 1.324 0.000 0.000 0.000 3/32400 840.0 1.107 0.724 1.308 0.000 0.000 0.000 3/32400 850.0 1.094 0.716 1.293 0.000 0.000 0.000 3/32400 860.0 1.081 0.707 1.278 0.000 0.000 0.000 3/32400 870.0 1.068 0.699 1.263 0.000 0.000 0.000 3/32400 880.0 1.056 0.691 1.249 0.000 0.000 0.000 3/32400 890.0 1.044 0.683 1.235 0.000 0.000 0.000 3/32400 900.0 1.032 0.676 1.221 0.000 0.000 0.000 3/32400 910.0 1.021 0.668 1.207 0.000 0.000 0.000 3/32400 920.0 1.010 0.661 1.194 0.000 0.000 0.000 3/32400 930.0 0.999 0.654 1.181 0.000 0.000 0.000 3/32400 940.0 0.988 0.647 1.169 0.000 0.000 0.000 3/32400 950.0 0.978 0.640 1.156 0.000 0.000 0.000 3/32400 960.0 0.967 0.633 1.144 0.000 0.000 0.000 3/32400 970.0 0.957 0.627 1.133 0.000 0.000 0.000 3/32400 980.0 0.947 0.620 1.121 0.000 0.000 0.000 3/32400 990.0 0.938 0.614 1.110 0.000 0.000 0.000 3/32400 1000.0 0.928 0.608 1.099 0.000 0.000 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m569.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:22:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|