----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:41:34]------------------------- 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 2 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ima2 (46) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -7.168141354999999 2.700741280000000 2.611077570000000 b 7.168141354999999 -2.700741280000000 2.611077570000000 c 7.168141354999999 2.700741280000000 -2.611077570000000 Atomic positions (fractional): *1 O 0.49949415225499 0.26299008909889 0.25825843438926 15.999 2 O 0.00473165470963 0.24123571786574 0.74174156561074 15.999 3 O 0.00473165470963 0.76299008909889 0.26349593684390 15.999 4 O 0.49949415225499 0.74123571786574 0.73650406315610 15.999 *5 O 0.98122144196348 0.86503599055643 0.61618545140705 15.999 6 O 0.24885053914938 0.36503599055643 0.38381454859295 15.999 *7 O 0.57731991516766 0.37852083524976 0.91731916256461 15.999 8 O 0.46120167268516 0.66000075260305 0.08268083743539 15.999 9 O 0.57731991516766 0.16000075260305 0.69879907991789 15.999 10 O 0.46120167268516 0.87852083524976 0.30120092008211 15.999 *11 Al 0.50352290458070 0.00352290458070 0.50000000000000 26.982 12 Al 0.50352290458070 0.50352290458070 0.00000000000000 26.982 *13 Al 0.37999024883144 0.20390279959931 0.67608744923213 26.982 14 Al 0.52781535036718 0.70390279959931 0.32391255076787 26.982 *15 Ca 0.02189285746300 0.88964557529418 0.91804254231105 40.078 16 Ca 0.97160303298314 0.10385031515195 0.08195745768895 40.078 17 Ca 0.97160303298314 0.38964557529418 0.36775271783119 40.078 18 Ca 0.02189285746300 0.60385031515195 0.63224728216881 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.336282709999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.401482560000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.222155140000000 Atomic positions (fractional): *1 O 0.51087718561658 0.74738124877268 0.75211290348231 15.999 > 1 2 O 0.98912281438342 0.75261875122732 0.25211290348231 15.999 > 2 3 O 0.51087718561658 0.75261875122732 0.25211290348231 15.999 > 3 4 O 0.98912281438342 0.74738124877268 0.75211290348231 15.999 > 4 *5 O 0.75000000000000 0.86618545140705 0.11503599055643 15.999 > 5 6 O 0.75000000000000 0.63381454859295 0.61503599055643 15.999 > 6 *7 O 0.85926004132336 0.05805912124125 0.51926079392641 15.999 > 7 8 O 0.64073995867664 0.44194087875875 0.01926079392641 15.999 > 8 9 O 0.64073995867664 0.05805912124125 0.51926079392641 15.999 > 9 10 O 0.85926004132336 0.44194087875875 0.01926079392641 15.999 > 10 11 O 0.01087718561658 0.24738124877268 0.25211290348231 15.999 > 1 12 O 0.48912281438342 0.25261875122732 0.75211290348231 15.999 > 2 13 O 0.01087718561658 0.25261875122732 0.75211290348231 15.999 > 3 14 O 0.48912281438342 0.24738124877268 0.25211290348231 15.999 > 4 15 O 0.25000000000000 0.36618545140705 0.61503599055643 15.999 > 5 16 O 0.25000000000000 0.13381454859295 0.11503599055643 15.999 > 6 17 O 0.35926004132336 0.55805912124125 0.01926079392641 15.999 > 7 18 O 0.14073995867664 0.94194087875875 0.51926079392641 15.999 > 8 19 O 0.14073995867664 0.55805912124125 0.01926079392641 15.999 > 9 20 O 0.35926004132336 0.94194087875875 0.51926079392641 15.999 > 10 *21 Al 0.00000000000000 0.50000000000000 0.00352290458070 26.982 > 11 22 Al 0.00000000000000 0.00000000000000 0.50352290458070 26.982 > 12 *23 Al 0.75000000000000 0.92608744923213 0.45390279959931 26.982 > 13 24 Al 0.75000000000000 0.57391255076787 0.95390279959931 26.982 > 14 25 Al 0.50000000000000 0.00000000000000 0.50352290458070 26.982 > 11 26 Al 0.50000000000000 0.50000000000000 0.00352290458070 26.982 > 12 27 Al 0.25000000000000 0.42608744923213 0.95390279959931 26.982 > 13 28 Al 0.25000000000000 0.07391255076787 0.45390279959931 26.982 > 14 *29 Ca 0.89289763007112 0.02514491223993 0.99674794522307 40.078 > 15 30 Ca 0.60710236992888 0.47485508776007 0.49674794522307 40.078 > 16 31 Ca 0.89289763007112 0.47485508776007 0.49674794522307 40.078 > 17 32 Ca 0.60710236992888 0.02514491223993 0.99674794522307 40.078 > 18 33 Ca 0.39289763007112 0.52514491223993 0.49674794522307 40.078 > 15 34 Ca 0.10710236992888 0.97485508776007 0.99674794522307 40.078 > 16 35 Ca 0.39289763007112 0.97485508776007 0.99674794522307 40.078 > 17 36 Ca 0.10710236992888 0.52514491223993 0.49674794522307 40.078 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.336282709999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.802965120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.444310280000000 Atomic positions (fractional): *1 O 0.51087718561658 0.37369062438634 0.37605645174116 15.999 > 1 2 O 0.51087718561658 0.87369062438634 0.37605645174116 15.999 > 1 3 O 0.51087718561658 0.37369062438634 0.87605645174116 15.999 > 1 4 O 0.51087718561658 0.87369062438634 0.87605645174116 15.999 > 1 5 O 0.98912281438342 0.37630937561366 0.12605645174116 15.999 > 2 6 O 0.98912281438342 0.87630937561366 0.12605645174116 15.999 > 2 7 O 0.98912281438342 0.37630937561366 0.62605645174116 15.999 > 2 8 O 0.98912281438342 0.87630937561366 0.62605645174116 15.999 > 2 9 O 0.51087718561658 0.37630937561366 0.12605645174116 15.999 > 3 10 O 0.51087718561658 0.87630937561366 0.12605645174116 15.999 > 3 11 O 0.51087718561658 0.37630937561366 0.62605645174116 15.999 > 3 12 O 0.51087718561658 0.87630937561366 0.62605645174116 15.999 > 3 13 O 0.98912281438342 0.37369062438634 0.37605645174116 15.999 > 4 14 O 0.98912281438342 0.87369062438634 0.37605645174116 15.999 > 4 15 O 0.98912281438342 0.37369062438634 0.87605645174116 15.999 > 4 16 O 0.98912281438342 0.87369062438634 0.87605645174116 15.999 > 4 *17 O 0.75000000000000 0.43309272570353 0.05751799527821 15.999 > 5 18 O 0.75000000000000 0.93309272570353 0.05751799527821 15.999 > 5 19 O 0.75000000000000 0.43309272570353 0.55751799527821 15.999 > 5 20 O 0.75000000000000 0.93309272570353 0.55751799527821 15.999 > 5 21 O 0.75000000000000 0.31690727429647 0.30751799527821 15.999 > 6 22 O 0.75000000000000 0.81690727429647 0.30751799527821 15.999 > 6 23 O 0.75000000000000 0.31690727429647 0.80751799527821 15.999 > 6 24 O 0.75000000000000 0.81690727429647 0.80751799527821 15.999 > 6 *25 O 0.85926004132336 0.02902956062062 0.25963039696320 15.999 > 7 26 O 0.85926004132336 0.52902956062062 0.25963039696320 15.999 > 7 27 O 0.85926004132336 0.02902956062062 0.75963039696320 15.999 > 7 28 O 0.85926004132336 0.52902956062062 0.75963039696320 15.999 > 7 29 O 0.64073995867664 0.22097043937938 0.00963039696320 15.999 > 8 30 O 0.64073995867664 0.72097043937938 0.00963039696320 15.999 > 8 31 O 0.64073995867664 0.22097043937938 0.50963039696320 15.999 > 8 32 O 0.64073995867664 0.72097043937938 0.50963039696320 15.999 > 8 33 O 0.64073995867664 0.02902956062062 0.25963039696320 15.999 > 9 34 O 0.64073995867664 0.52902956062062 0.25963039696320 15.999 > 9 35 O 0.64073995867664 0.02902956062062 0.75963039696320 15.999 > 9 36 O 0.64073995867664 0.52902956062062 0.75963039696320 15.999 > 9 37 O 0.85926004132336 0.22097043937938 0.00963039696320 15.999 > 10 38 O 0.85926004132336 0.72097043937938 0.00963039696320 15.999 > 10 39 O 0.85926004132336 0.22097043937938 0.50963039696320 15.999 > 10 40 O 0.85926004132336 0.72097043937938 0.50963039696320 15.999 > 10 41 O 0.01087718561658 0.12369062438634 0.12605645174116 15.999 > 1 42 O 0.01087718561658 0.62369062438634 0.12605645174116 15.999 > 1 43 O 0.01087718561658 0.12369062438634 0.62605645174116 15.999 > 1 44 O 0.01087718561658 0.62369062438634 0.62605645174116 15.999 > 1 45 O 0.48912281438342 0.12630937561366 0.37605645174116 15.999 > 2 46 O 0.48912281438342 0.62630937561366 0.37605645174116 15.999 > 2 47 O 0.48912281438342 0.12630937561366 0.87605645174116 15.999 > 2 48 O 0.48912281438342 0.62630937561366 0.87605645174116 15.999 > 2 49 O 0.01087718561658 0.12630937561366 0.37605645174116 15.999 > 3 50 O 0.01087718561658 0.62630937561366 0.37605645174116 15.999 > 3 51 O 0.01087718561658 0.12630937561366 0.87605645174116 15.999 > 3 52 O 0.01087718561658 0.62630937561366 0.87605645174116 15.999 > 3 53 O 0.48912281438342 0.12369062438634 0.12605645174116 15.999 > 4 54 O 0.48912281438342 0.62369062438634 0.12605645174116 15.999 > 4 55 O 0.48912281438342 0.12369062438634 0.62605645174116 15.999 > 4 56 O 0.48912281438342 0.62369062438634 0.62605645174116 15.999 > 4 57 O 0.25000000000000 0.18309272570353 0.30751799527821 15.999 > 5 58 O 0.25000000000000 0.68309272570353 0.30751799527821 15.999 > 5 59 O 0.25000000000000 0.18309272570353 0.80751799527821 15.999 > 5 60 O 0.25000000000000 0.68309272570353 0.80751799527821 15.999 > 5 61 O 0.25000000000000 0.06690727429647 0.05751799527821 15.999 > 6 62 O 0.25000000000000 0.56690727429647 0.05751799527821 15.999 > 6 63 O 0.25000000000000 0.06690727429647 0.55751799527821 15.999 > 6 64 O 0.25000000000000 0.56690727429647 0.55751799527821 15.999 > 6 65 O 0.35926004132336 0.27902956062062 0.00963039696320 15.999 > 7 66 O 0.35926004132336 0.77902956062062 0.00963039696320 15.999 > 7 67 O 0.35926004132336 0.27902956062062 0.50963039696320 15.999 > 7 68 O 0.35926004132336 0.77902956062062 0.50963039696320 15.999 > 7 69 O 0.14073995867664 0.47097043937938 0.25963039696320 15.999 > 8 70 O 0.14073995867664 0.97097043937938 0.25963039696320 15.999 > 8 71 O 0.14073995867664 0.47097043937938 0.75963039696320 15.999 > 8 72 O 0.14073995867664 0.97097043937938 0.75963039696320 15.999 > 8 73 O 0.14073995867664 0.27902956062062 0.00963039696320 15.999 > 9 74 O 0.14073995867664 0.77902956062062 0.00963039696320 15.999 > 9 75 O 0.14073995867664 0.27902956062062 0.50963039696320 15.999 > 9 76 O 0.14073995867664 0.77902956062062 0.50963039696320 15.999 > 9 77 O 0.35926004132336 0.47097043937938 0.25963039696320 15.999 > 10 78 O 0.35926004132336 0.97097043937938 0.25963039696320 15.999 > 10 79 O 0.35926004132336 0.47097043937938 0.75963039696320 15.999 > 10 80 O 0.35926004132336 0.97097043937938 0.75963039696320 15.999 > 10 *81 Al 0.00000000000000 0.25000000000000 0.00176145229035 26.982 > 11 82 Al 0.00000000000000 0.75000000000000 0.00176145229035 26.982 > 11 83 Al 0.00000000000000 0.25000000000000 0.50176145229035 26.982 > 11 84 Al 0.00000000000000 0.75000000000000 0.50176145229035 26.982 > 11 85 Al 0.00000000000000 0.00000000000000 0.25176145229035 26.982 > 12 86 Al 0.00000000000000 0.50000000000000 0.25176145229035 26.982 > 12 87 Al 0.00000000000000 0.00000000000000 0.75176145229035 26.982 > 12 88 Al 0.00000000000000 0.50000000000000 0.75176145229035 26.982 > 12 *89 Al 0.75000000000000 0.46304372461606 0.22695139979965 26.982 > 13 90 Al 0.75000000000000 0.96304372461606 0.22695139979965 26.982 > 13 91 Al 0.75000000000000 0.46304372461606 0.72695139979965 26.982 > 13 92 Al 0.75000000000000 0.96304372461606 0.72695139979965 26.982 > 13 93 Al 0.75000000000000 0.28695627538394 0.47695139979965 26.982 > 14 94 Al 0.75000000000000 0.78695627538394 0.47695139979965 26.982 > 14 95 Al 0.75000000000000 0.28695627538394 0.97695139979965 26.982 > 14 96 Al 0.75000000000000 0.78695627538394 0.97695139979965 26.982 > 14 97 Al 0.50000000000000 0.00000000000000 0.25176145229035 26.982 > 11 98 Al 0.50000000000000 0.50000000000000 0.25176145229035 26.982 > 11 99 Al 0.50000000000000 0.00000000000000 0.75176145229035 26.982 > 11 100 Al 0.50000000000000 0.50000000000000 0.75176145229035 26.982 > 11 101 Al 0.50000000000000 0.25000000000000 0.00176145229035 26.982 > 12 102 Al 0.50000000000000 0.75000000000000 0.00176145229035 26.982 > 12 103 Al 0.50000000000000 0.25000000000000 0.50176145229035 26.982 > 12 104 Al 0.50000000000000 0.75000000000000 0.50176145229035 26.982 > 12 105 Al 0.25000000000000 0.21304372461606 0.47695139979965 26.982 > 13 106 Al 0.25000000000000 0.71304372461606 0.47695139979965 26.982 > 13 107 Al 0.25000000000000 0.21304372461606 0.97695139979965 26.982 > 13 108 Al 0.25000000000000 0.71304372461606 0.97695139979965 26.982 > 13 109 Al 0.25000000000000 0.03695627538394 0.22695139979965 26.982 > 14 110 Al 0.25000000000000 0.53695627538394 0.22695139979965 26.982 > 14 111 Al 0.25000000000000 0.03695627538394 0.72695139979965 26.982 > 14 112 Al 0.25000000000000 0.53695627538394 0.72695139979965 26.982 > 14 *113 Ca 0.89289763007112 0.01257245611997 0.49837397261153 40.078 > 15 114 Ca 0.89289763007112 0.51257245611997 0.49837397261153 40.078 > 15 115 Ca 0.89289763007112 0.01257245611997 0.99837397261153 40.078 > 15 116 Ca 0.89289763007112 0.51257245611997 0.99837397261153 40.078 > 15 117 Ca 0.60710236992888 0.23742754388004 0.24837397261153 40.078 > 16 118 Ca 0.60710236992888 0.73742754388004 0.24837397261153 40.078 > 16 119 Ca 0.60710236992888 0.23742754388004 0.74837397261153 40.078 > 16 120 Ca 0.60710236992888 0.73742754388004 0.74837397261153 40.078 > 16 121 Ca 0.89289763007112 0.23742754388004 0.24837397261153 40.078 > 17 122 Ca 0.89289763007112 0.73742754388004 0.24837397261153 40.078 > 17 123 Ca 0.89289763007112 0.23742754388004 0.74837397261153 40.078 > 17 124 Ca 0.89289763007112 0.73742754388004 0.74837397261153 40.078 > 17 125 Ca 0.60710236992888 0.01257245611997 0.49837397261153 40.078 > 18 126 Ca 0.60710236992888 0.51257245611997 0.49837397261153 40.078 > 18 127 Ca 0.60710236992888 0.01257245611997 0.99837397261153 40.078 > 18 128 Ca 0.60710236992888 0.51257245611997 0.99837397261153 40.078 > 18 129 Ca 0.39289763007112 0.26257245611996 0.24837397261153 40.078 > 15 130 Ca 0.39289763007112 0.76257245611996 0.24837397261153 40.078 > 15 131 Ca 0.39289763007112 0.26257245611996 0.74837397261153 40.078 > 15 132 Ca 0.39289763007112 0.76257245611996 0.74837397261153 40.078 > 15 133 Ca 0.10710236992888 0.48742754388004 0.49837397261153 40.078 > 16 134 Ca 0.10710236992888 0.98742754388004 0.49837397261153 40.078 > 16 135 Ca 0.10710236992888 0.48742754388004 0.99837397261153 40.078 > 16 136 Ca 0.10710236992888 0.98742754388004 0.99837397261153 40.078 > 16 137 Ca 0.39289763007112 0.48742754388004 0.49837397261153 40.078 > 17 138 Ca 0.39289763007112 0.98742754388004 0.49837397261153 40.078 > 17 139 Ca 0.39289763007112 0.48742754388004 0.99837397261153 40.078 > 17 140 Ca 0.39289763007112 0.98742754388004 0.99837397261153 40.078 > 17 141 Ca 0.10710236992888 0.26257245611996 0.24837397261153 40.078 > 18 142 Ca 0.10710236992888 0.76257245611996 0.24837397261153 40.078 > 18 143 Ca 0.10710236992888 0.26257245611996 0.74837397261153 40.078 > 18 144 Ca 0.10710236992888 0.76257245611996 0.74837397261153 40.078 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4892818 0.0000000 0.0000000 0.0000000 3.4725993 0.0000000 0.0000000 0.0000000 3.4493030 -------------------------- Born effective charges -------------------------- 1 O -1.7521615 -0.0023450 0.0080206 0.0034961 -2.3562321 0.1379686 0.0023005 0.1648840 -2.2363876 2 O -1.7521615 -0.0023450 -0.0080206 0.0034961 -2.3562321 -0.1379686 -0.0023005 -0.1648840 -2.2363876 3 O -1.7521615 0.0023450 0.0080206 -0.0034961 -2.3562321 -0.1379686 0.0023005 -0.1648840 -2.2363876 4 O -1.7521615 0.0023450 -0.0080206 -0.0034961 -2.3562321 0.1379686 -0.0023005 0.1648840 -2.2363876 5 O -2.0671499 0.0000000 0.0000000 0.0000000 -1.8515930 -0.3090412 0.0000000 -0.3099552 -2.1068489 6 O -2.0671499 0.0000000 0.0000000 0.0000000 -1.8515930 0.3090412 0.0000000 0.3099552 -2.1068489 7 O -2.3855255 -0.2589898 -0.0820226 -0.2443456 -1.8843309 -0.0250960 -0.1022305 -0.0257958 -1.7782773 8 O -2.3855255 -0.2589898 0.0820226 -0.2443456 -1.8843309 0.0250960 0.1022305 0.0257958 -1.7782773 9 O -2.3855255 0.2589898 0.0820226 0.2443456 -1.8843309 -0.0250960 0.1022305 -0.0257958 -1.7782773 10 O -2.3855255 0.2589898 -0.0820226 0.2443456 -1.8843309 0.0250960 -0.1022305 0.0257958 -1.7782773 11 Al 2.8839709 0.1360258 0.0000000 0.0432965 3.0274949 0.0000000 0.0000000 0.0000000 2.9051083 12 Al 2.8839709 -0.1360258 0.0000000 -0.0432965 3.0274949 0.0000000 0.0000000 0.0000000 2.9051083 13 Al 2.8801571 0.0000000 0.0000000 0.0000000 2.2960543 -0.0251764 0.0000000 -0.0842422 2.4547206 14 Al 2.8801571 0.0000000 0.0000000 0.0000000 2.2960543 0.0251764 0.0000000 0.0842422 2.4547206 15 Ca 2.2891980 0.0248366 -0.0627444 0.0500789 2.5045849 -0.0179573 -0.0531834 -0.0281383 2.3881748 16 Ca 2.2891980 0.0248366 0.0627444 0.0500789 2.5045849 0.0179573 0.0531834 0.0281383 2.3881748 17 Ca 2.2891980 -0.0248366 -0.0627444 -0.0500789 2.5045849 0.0179573 -0.0531834 0.0281383 2.3881748 18 Ca 2.2891980 -0.0248366 0.0627444 -0.0500789 2.5045849 -0.0179573 0.0531834 -0.0281383 2.3881748 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3042 Number of blocks in projector: 3042 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: 676 Use submatrix version of eigh solver. (1) Block: 500 / 676 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 676 / 676 (1) 167 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 620 Use submatrix version of eigh solver. (1) Block: 500 / 620 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 620 / 620 (1) 114 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 108 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3042, 3000), data: False |-- (378, 372), data: True |-- (378, 372), data: True |-- (378, 372), data: True |-- (612, 606), data: False |-- (612, 4), data: (612, 10) @ (10, 4) |-- (112, 108), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (620, 612), data: False |-- (620, 6), data: (620, 14) @ (14, 6) |-- (120, 114), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (676, 666), data: False |-- (676, 9), data: (676, 19) @ (19, 9) |-- (176, 167), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.021 Solver_block: 100 / 560 - Time: 2.227 Solver_block: 200 / 560 - Time: 2.108 Solver_block: 300 / 560 - Time: 2.293 Solver_block: 400 / 560 - Time: 2.287 Solver_block: 500 / 560 - Time: 2.401 Solver_block: 560 / 560 - Time: 1.542 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.474 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14256/14256 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3042 Number of blocks in projector: 3042 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: 676 Use submatrix version of eigh solver. (1) Block: 500 / 676 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 676 / 676 (1) 167 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 620 Use submatrix version of eigh solver. (1) Block: 500 / 620 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 15 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 620 / 620 (1) 114 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 108 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 4 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 378 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 378 Use standard eigh solver. Tree of FC basis block matrices: - (3042, 3000), data: False |-- (378, 372), data: True |-- (378, 372), data: True |-- (378, 372), data: True |-- (612, 606), data: False |-- (612, 4), data: (612, 10) @ (10, 4) |-- (112, 108), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (620, 612), data: False |-- (620, 6), data: (620, 14) @ (14, 6) |-- (120, 114), data: True |-- (500, 492), data: False |-- (500, 7), data: (500, 15) @ (15, 7) |-- (250, 243), data: True |-- (250, 242), data: True |-- (676, 666), data: False |-- (676, 9), data: (676, 19) @ (19, 9) |-- (176, 167), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:42:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:42:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ima2 (46) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -7.168141354999999 2.700741280000000 2.611077570000000 b 7.168141354999999 -2.700741280000000 2.611077570000000 c 7.168141354999999 2.700741280000000 -2.611077570000000 Atomic positions (fractional): 1 O 0.49949415225499 0.26299008909889 0.25825843438926 15.999 2 O 0.00473165470963 0.24123571786574 0.74174156561074 15.999 3 O 0.00473165470963 0.76299008909889 0.26349593684390 15.999 4 O 0.49949415225499 0.74123571786574 0.73650406315610 15.999 5 O 0.98122144196348 0.86503599055643 0.61618545140705 15.999 6 O 0.24885053914938 0.36503599055643 0.38381454859295 15.999 7 O 0.57731991516766 0.37852083524976 0.91731916256461 15.999 8 O 0.46120167268516 0.66000075260305 0.08268083743539 15.999 9 O 0.57731991516766 0.16000075260305 0.69879907991789 15.999 10 O 0.46120167268516 0.87852083524976 0.30120092008211 15.999 11 Al 0.50352290458070 0.00352290458070 0.50000000000000 26.982 12 Al 0.50352290458070 0.50352290458070 0.00000000000000 26.982 13 Al 0.37999024883144 0.20390279959931 0.67608744923213 26.982 14 Al 0.52781535036718 0.70390279959931 0.32391255076787 26.982 15 Ca 0.02189285746300 0.88964557529418 0.91804254231105 40.078 16 Ca 0.97160303298314 0.10385031515195 0.08195745768895 40.078 17 Ca 0.97160303298314 0.38964557529418 0.36775271783119 40.078 18 Ca 0.02189285746300 0.60385031515195 0.63224728216881 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.336282709999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.802965120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.444310280000000 Atomic positions (fractional): 1 O 0.51087718561658 0.37369062438634 0.37605645174116 15.999 > 1 2 O 0.51087718561658 0.87369062438634 0.37605645174116 15.999 > 1 3 O 0.51087718561658 0.37369062438634 0.87605645174116 15.999 > 1 4 O 0.51087718561658 0.87369062438634 0.87605645174116 15.999 > 1 5 O 0.98912281438342 0.37630937561366 0.12605645174116 15.999 > 5 6 O 0.98912281438342 0.87630937561366 0.12605645174116 15.999 > 5 7 O 0.98912281438342 0.37630937561366 0.62605645174116 15.999 > 5 8 O 0.98912281438342 0.87630937561366 0.62605645174116 15.999 > 5 9 O 0.51087718561658 0.37630937561366 0.12605645174116 15.999 > 9 10 O 0.51087718561658 0.87630937561366 0.12605645174116 15.999 > 9 11 O 0.51087718561658 0.37630937561366 0.62605645174116 15.999 > 9 12 O 0.51087718561658 0.87630937561366 0.62605645174116 15.999 > 9 13 O 0.98912281438342 0.37369062438634 0.37605645174116 15.999 > 13 14 O 0.98912281438342 0.87369062438634 0.37605645174116 15.999 > 13 15 O 0.98912281438342 0.37369062438634 0.87605645174116 15.999 > 13 16 O 0.98912281438342 0.87369062438634 0.87605645174116 15.999 > 13 17 O 0.75000000000000 0.43309272570353 0.05751799527821 15.999 > 17 18 O 0.75000000000000 0.93309272570353 0.05751799527821 15.999 > 17 19 O 0.75000000000000 0.43309272570353 0.55751799527821 15.999 > 17 20 O 0.75000000000000 0.93309272570353 0.55751799527821 15.999 > 17 21 O 0.75000000000000 0.31690727429647 0.30751799527821 15.999 > 21 22 O 0.75000000000000 0.81690727429647 0.30751799527821 15.999 > 21 23 O 0.75000000000000 0.31690727429647 0.80751799527821 15.999 > 21 24 O 0.75000000000000 0.81690727429647 0.80751799527821 15.999 > 21 25 O 0.85926004132336 0.02902956062062 0.25963039696320 15.999 > 25 26 O 0.85926004132336 0.52902956062062 0.25963039696320 15.999 > 25 27 O 0.85926004132336 0.02902956062062 0.75963039696320 15.999 > 25 28 O 0.85926004132336 0.52902956062062 0.75963039696320 15.999 > 25 29 O 0.64073995867664 0.22097043937938 0.00963039696320 15.999 > 29 30 O 0.64073995867664 0.72097043937938 0.00963039696320 15.999 > 29 31 O 0.64073995867664 0.22097043937938 0.50963039696320 15.999 > 29 32 O 0.64073995867664 0.72097043937938 0.50963039696320 15.999 > 29 33 O 0.64073995867664 0.02902956062062 0.25963039696320 15.999 > 33 34 O 0.64073995867664 0.52902956062062 0.25963039696320 15.999 > 33 35 O 0.64073995867664 0.02902956062062 0.75963039696320 15.999 > 33 36 O 0.64073995867664 0.52902956062062 0.75963039696320 15.999 > 33 37 O 0.85926004132336 0.22097043937938 0.00963039696320 15.999 > 37 38 O 0.85926004132336 0.72097043937938 0.00963039696320 15.999 > 37 39 O 0.85926004132336 0.22097043937938 0.50963039696320 15.999 > 37 40 O 0.85926004132336 0.72097043937938 0.50963039696320 15.999 > 37 41 O 0.01087718561658 0.12369062438634 0.12605645174116 15.999 > 1 42 O 0.01087718561658 0.62369062438634 0.12605645174116 15.999 > 1 43 O 0.01087718561658 0.12369062438634 0.62605645174116 15.999 > 1 44 O 0.01087718561658 0.62369062438634 0.62605645174116 15.999 > 1 45 O 0.48912281438342 0.12630937561366 0.37605645174116 15.999 > 5 46 O 0.48912281438342 0.62630937561366 0.37605645174116 15.999 > 5 47 O 0.48912281438342 0.12630937561366 0.87605645174116 15.999 > 5 48 O 0.48912281438342 0.62630937561366 0.87605645174116 15.999 > 5 49 O 0.01087718561658 0.12630937561366 0.37605645174116 15.999 > 9 50 O 0.01087718561658 0.62630937561366 0.37605645174116 15.999 > 9 51 O 0.01087718561658 0.12630937561366 0.87605645174116 15.999 > 9 52 O 0.01087718561658 0.62630937561366 0.87605645174116 15.999 > 9 53 O 0.48912281438342 0.12369062438634 0.12605645174116 15.999 > 13 54 O 0.48912281438342 0.62369062438634 0.12605645174116 15.999 > 13 55 O 0.48912281438342 0.12369062438634 0.62605645174116 15.999 > 13 56 O 0.48912281438342 0.62369062438634 0.62605645174116 15.999 > 13 57 O 0.25000000000000 0.18309272570353 0.30751799527821 15.999 > 17 58 O 0.25000000000000 0.68309272570353 0.30751799527821 15.999 > 17 59 O 0.25000000000000 0.18309272570353 0.80751799527821 15.999 > 17 60 O 0.25000000000000 0.68309272570353 0.80751799527821 15.999 > 17 61 O 0.25000000000000 0.06690727429647 0.05751799527821 15.999 > 21 62 O 0.25000000000000 0.56690727429647 0.05751799527821 15.999 > 21 63 O 0.25000000000000 0.06690727429647 0.55751799527821 15.999 > 21 64 O 0.25000000000000 0.56690727429647 0.55751799527821 15.999 > 21 65 O 0.35926004132336 0.27902956062062 0.00963039696320 15.999 > 25 66 O 0.35926004132336 0.77902956062062 0.00963039696320 15.999 > 25 67 O 0.35926004132336 0.27902956062062 0.50963039696320 15.999 > 25 68 O 0.35926004132336 0.77902956062062 0.50963039696320 15.999 > 25 69 O 0.14073995867664 0.47097043937938 0.25963039696320 15.999 > 29 70 O 0.14073995867664 0.97097043937938 0.25963039696320 15.999 > 29 71 O 0.14073995867664 0.47097043937938 0.75963039696320 15.999 > 29 72 O 0.14073995867664 0.97097043937938 0.75963039696320 15.999 > 29 73 O 0.14073995867664 0.27902956062062 0.00963039696320 15.999 > 33 74 O 0.14073995867664 0.77902956062062 0.00963039696320 15.999 > 33 75 O 0.14073995867664 0.27902956062062 0.50963039696320 15.999 > 33 76 O 0.14073995867664 0.77902956062062 0.50963039696320 15.999 > 33 77 O 0.35926004132336 0.47097043937938 0.25963039696320 15.999 > 37 78 O 0.35926004132336 0.97097043937938 0.25963039696320 15.999 > 37 79 O 0.35926004132336 0.47097043937938 0.75963039696320 15.999 > 37 80 O 0.35926004132336 0.97097043937938 0.75963039696320 15.999 > 37 81 Al 0.00000000000000 0.25000000000000 0.00176145229035 26.982 > 81 82 Al 0.00000000000000 0.75000000000000 0.00176145229035 26.982 > 81 83 Al 0.00000000000000 0.25000000000000 0.50176145229035 26.982 > 81 84 Al 0.00000000000000 0.75000000000000 0.50176145229035 26.982 > 81 85 Al 0.00000000000000 0.00000000000000 0.25176145229035 26.982 > 85 86 Al 0.00000000000000 0.50000000000000 0.25176145229035 26.982 > 85 87 Al 0.00000000000000 0.00000000000000 0.75176145229035 26.982 > 85 88 Al 0.00000000000000 0.50000000000000 0.75176145229035 26.982 > 85 89 Al 0.75000000000000 0.46304372461606 0.22695139979965 26.982 > 89 90 Al 0.75000000000000 0.96304372461606 0.22695139979965 26.982 > 89 91 Al 0.75000000000000 0.46304372461606 0.72695139979965 26.982 > 89 92 Al 0.75000000000000 0.96304372461606 0.72695139979965 26.982 > 89 93 Al 0.75000000000000 0.28695627538394 0.47695139979965 26.982 > 93 94 Al 0.75000000000000 0.78695627538394 0.47695139979965 26.982 > 93 95 Al 0.75000000000000 0.28695627538394 0.97695139979965 26.982 > 93 96 Al 0.75000000000000 0.78695627538394 0.97695139979965 26.982 > 93 97 Al 0.50000000000000 0.00000000000000 0.25176145229035 26.982 > 81 98 Al 0.50000000000000 0.50000000000000 0.25176145229035 26.982 > 81 99 Al 0.50000000000000 0.00000000000000 0.75176145229035 26.982 > 81 100 Al 0.50000000000000 0.50000000000000 0.75176145229035 26.982 > 81 101 Al 0.50000000000000 0.25000000000000 0.00176145229035 26.982 > 85 102 Al 0.50000000000000 0.75000000000000 0.00176145229035 26.982 > 85 103 Al 0.50000000000000 0.25000000000000 0.50176145229035 26.982 > 85 104 Al 0.50000000000000 0.75000000000000 0.50176145229035 26.982 > 85 105 Al 0.25000000000000 0.21304372461606 0.47695139979965 26.982 > 89 106 Al 0.25000000000000 0.71304372461606 0.47695139979965 26.982 > 89 107 Al 0.25000000000000 0.21304372461606 0.97695139979965 26.982 > 89 108 Al 0.25000000000000 0.71304372461606 0.97695139979965 26.982 > 89 109 Al 0.25000000000000 0.03695627538394 0.22695139979965 26.982 > 93 110 Al 0.25000000000000 0.53695627538394 0.22695139979965 26.982 > 93 111 Al 0.25000000000000 0.03695627538394 0.72695139979965 26.982 > 93 112 Al 0.25000000000000 0.53695627538394 0.72695139979965 26.982 > 93 113 Ca 0.89289763007112 0.01257245611997 0.49837397261153 40.078 > 113 114 Ca 0.89289763007112 0.51257245611997 0.49837397261153 40.078 > 113 115 Ca 0.89289763007112 0.01257245611997 0.99837397261153 40.078 > 113 116 Ca 0.89289763007112 0.51257245611997 0.99837397261153 40.078 > 113 117 Ca 0.60710236992888 0.23742754388004 0.24837397261153 40.078 > 117 118 Ca 0.60710236992888 0.73742754388004 0.24837397261153 40.078 > 117 119 Ca 0.60710236992888 0.23742754388004 0.74837397261153 40.078 > 117 120 Ca 0.60710236992888 0.73742754388004 0.74837397261153 40.078 > 117 121 Ca 0.89289763007112 0.23742754388004 0.24837397261153 40.078 > 121 122 Ca 0.89289763007112 0.73742754388004 0.24837397261153 40.078 > 121 123 Ca 0.89289763007112 0.23742754388004 0.74837397261153 40.078 > 121 124 Ca 0.89289763007112 0.73742754388004 0.74837397261153 40.078 > 121 125 Ca 0.60710236992888 0.01257245611997 0.49837397261153 40.078 > 125 126 Ca 0.60710236992888 0.51257245611997 0.49837397261153 40.078 > 125 127 Ca 0.60710236992888 0.01257245611997 0.99837397261153 40.078 > 125 128 Ca 0.60710236992888 0.51257245611997 0.99837397261153 40.078 > 125 129 Ca 0.39289763007112 0.26257245611996 0.24837397261153 40.078 > 113 130 Ca 0.39289763007112 0.76257245611996 0.24837397261153 40.078 > 113 131 Ca 0.39289763007112 0.26257245611996 0.74837397261153 40.078 > 113 132 Ca 0.39289763007112 0.76257245611996 0.74837397261153 40.078 > 113 133 Ca 0.10710236992888 0.48742754388004 0.49837397261153 40.078 > 117 134 Ca 0.10710236992888 0.98742754388004 0.49837397261153 40.078 > 117 135 Ca 0.10710236992888 0.48742754388004 0.99837397261153 40.078 > 117 136 Ca 0.10710236992888 0.98742754388004 0.99837397261153 40.078 > 117 137 Ca 0.39289763007112 0.48742754388004 0.49837397261153 40.078 > 121 138 Ca 0.39289763007112 0.98742754388004 0.49837397261153 40.078 > 121 139 Ca 0.39289763007112 0.48742754388004 0.99837397261153 40.078 > 121 140 Ca 0.39289763007112 0.98742754388004 0.99837397261153 40.078 > 121 141 Ca 0.10710236992888 0.26257245611996 0.24837397261153 40.078 > 125 142 Ca 0.10710236992888 0.76257245611996 0.24837397261153 40.078 > 125 143 Ca 0.10710236992888 0.26257245611996 0.74837397261153 40.078 > 125 144 Ca 0.10710236992888 0.76257245611996 0.74837397261153 40.078 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4892818 0.0000000 0.0000000 0.0000000 3.4725993 0.0000000 0.0000000 0.0000000 3.4493030 -------------------------- Born effective charges -------------------------- 1 O -1.7521615 -0.0023450 0.0080206 0.0034961 -2.3562321 0.1379686 0.0023005 0.1648840 -2.2363876 2 O -1.7521615 -0.0023450 -0.0080206 0.0034961 -2.3562321 -0.1379686 -0.0023005 -0.1648840 -2.2363876 3 O -1.7521615 0.0023450 0.0080206 -0.0034961 -2.3562321 -0.1379686 0.0023005 -0.1648840 -2.2363876 4 O -1.7521615 0.0023450 -0.0080206 -0.0034961 -2.3562321 0.1379686 -0.0023005 0.1648840 -2.2363876 5 O -2.0671499 0.0000000 0.0000000 0.0000000 -1.8515930 -0.3090412 0.0000000 -0.3099552 -2.1068489 6 O -2.0671499 0.0000000 0.0000000 0.0000000 -1.8515930 0.3090412 0.0000000 0.3099552 -2.1068489 7 O -2.3855255 -0.2589898 -0.0820226 -0.2443456 -1.8843309 -0.0250960 -0.1022305 -0.0257958 -1.7782773 8 O -2.3855255 -0.2589898 0.0820226 -0.2443456 -1.8843309 0.0250960 0.1022305 0.0257958 -1.7782773 9 O -2.3855255 0.2589898 0.0820226 0.2443456 -1.8843309 -0.0250960 0.1022305 -0.0257958 -1.7782773 10 O -2.3855255 0.2589898 -0.0820226 0.2443456 -1.8843309 0.0250960 -0.1022305 0.0257958 -1.7782773 11 Al 2.8839709 0.1360258 0.0000000 0.0432965 3.0274949 0.0000000 0.0000000 0.0000000 2.9051083 12 Al 2.8839709 -0.1360258 0.0000000 -0.0432965 3.0274949 0.0000000 0.0000000 0.0000000 2.9051083 13 Al 2.8801571 0.0000000 0.0000000 0.0000000 2.2960543 -0.0251764 0.0000000 -0.0842422 2.4547206 14 Al 2.8801571 0.0000000 0.0000000 0.0000000 2.2960543 0.0251764 0.0000000 0.0842422 2.4547206 15 Ca 2.2891980 0.0248366 -0.0627444 0.0500789 2.5045849 -0.0179573 -0.0531834 -0.0281383 2.3881748 16 Ca 2.2891980 0.0248366 0.0627444 0.0500789 2.5045849 0.0179573 0.0531834 0.0281383 2.3881748 17 Ca 2.2891980 -0.0248366 -0.0627444 -0.0500789 2.5045849 0.0179573 -0.0531834 0.0281383 2.3881748 18 Ca 2.2891980 -0.0248366 0.0627444 -0.0500789 2.5045849 -0.0179573 0.0531834 -0.0281383 2.3881748 ---------------------------------------------------------------------------- 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:43:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:43:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Ima2 (46) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -7.168141354999999 2.700741280000000 2.611077570000000 b 7.168141354999999 -2.700741280000000 2.611077570000000 c 7.168141354999999 2.700741280000000 -2.611077570000000 Atomic positions (fractional): 1 O 0.49949415225499 0.26299008909889 0.25825843438926 15.999 2 O 0.00473165470963 0.24123571786574 0.74174156561074 15.999 3 O 0.00473165470963 0.76299008909889 0.26349593684390 15.999 4 O 0.49949415225499 0.74123571786574 0.73650406315610 15.999 5 O 0.98122144196348 0.86503599055643 0.61618545140705 15.999 6 O 0.24885053914938 0.36503599055643 0.38381454859295 15.999 7 O 0.57731991516766 0.37852083524976 0.91731916256461 15.999 8 O 0.46120167268516 0.66000075260305 0.08268083743539 15.999 9 O 0.57731991516766 0.16000075260305 0.69879907991789 15.999 10 O 0.46120167268516 0.87852083524976 0.30120092008211 15.999 11 Al 0.50352290458070 0.00352290458070 0.50000000000000 26.982 12 Al 0.50352290458070 0.50352290458070 0.00000000000000 26.982 13 Al 0.37999024883144 0.20390279959931 0.67608744923213 26.982 14 Al 0.52781535036718 0.70390279959931 0.32391255076787 26.982 15 Ca 0.02189285746300 0.88964557529418 0.91804254231105 40.078 16 Ca 0.97160303298314 0.10385031515195 0.08195745768895 40.078 17 Ca 0.97160303298314 0.38964557529418 0.36775271783119 40.078 18 Ca 0.02189285746300 0.60385031515195 0.63224728216881 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.336282709999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.802965120000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.444310280000000 Atomic positions (fractional): 1 O 0.51087718561658 0.37369062438634 0.37605645174116 15.999 > 1 2 O 0.51087718561658 0.87369062438634 0.37605645174116 15.999 > 1 3 O 0.51087718561658 0.37369062438634 0.87605645174116 15.999 > 1 4 O 0.51087718561658 0.87369062438634 0.87605645174116 15.999 > 1 5 O 0.98912281438342 0.37630937561366 0.12605645174116 15.999 > 5 6 O 0.98912281438342 0.87630937561366 0.12605645174116 15.999 > 5 7 O 0.98912281438342 0.37630937561366 0.62605645174116 15.999 > 5 8 O 0.98912281438342 0.87630937561366 0.62605645174116 15.999 > 5 9 O 0.51087718561658 0.37630937561366 0.12605645174116 15.999 > 9 10 O 0.51087718561658 0.87630937561366 0.12605645174116 15.999 > 9 11 O 0.51087718561658 0.37630937561366 0.62605645174116 15.999 > 9 12 O 0.51087718561658 0.87630937561366 0.62605645174116 15.999 > 9 13 O 0.98912281438342 0.37369062438634 0.37605645174116 15.999 > 13 14 O 0.98912281438342 0.87369062438634 0.37605645174116 15.999 > 13 15 O 0.98912281438342 0.37369062438634 0.87605645174116 15.999 > 13 16 O 0.98912281438342 0.87369062438634 0.87605645174116 15.999 > 13 17 O 0.75000000000000 0.43309272570353 0.05751799527821 15.999 > 17 18 O 0.75000000000000 0.93309272570353 0.05751799527821 15.999 > 17 19 O 0.75000000000000 0.43309272570353 0.55751799527821 15.999 > 17 20 O 0.75000000000000 0.93309272570353 0.55751799527821 15.999 > 17 21 O 0.75000000000000 0.31690727429647 0.30751799527821 15.999 > 21 22 O 0.75000000000000 0.81690727429647 0.30751799527821 15.999 > 21 23 O 0.75000000000000 0.31690727429647 0.80751799527821 15.999 > 21 24 O 0.75000000000000 0.81690727429647 0.80751799527821 15.999 > 21 25 O 0.85926004132336 0.02902956062062 0.25963039696320 15.999 > 25 26 O 0.85926004132336 0.52902956062062 0.25963039696320 15.999 > 25 27 O 0.85926004132336 0.02902956062062 0.75963039696320 15.999 > 25 28 O 0.85926004132336 0.52902956062062 0.75963039696320 15.999 > 25 29 O 0.64073995867664 0.22097043937938 0.00963039696320 15.999 > 29 30 O 0.64073995867664 0.72097043937938 0.00963039696320 15.999 > 29 31 O 0.64073995867664 0.22097043937938 0.50963039696320 15.999 > 29 32 O 0.64073995867664 0.72097043937938 0.50963039696320 15.999 > 29 33 O 0.64073995867664 0.02902956062062 0.25963039696320 15.999 > 33 34 O 0.64073995867664 0.52902956062062 0.25963039696320 15.999 > 33 35 O 0.64073995867664 0.02902956062062 0.75963039696320 15.999 > 33 36 O 0.64073995867664 0.52902956062062 0.75963039696320 15.999 > 33 37 O 0.85926004132336 0.22097043937938 0.00963039696320 15.999 > 37 38 O 0.85926004132336 0.72097043937938 0.00963039696320 15.999 > 37 39 O 0.85926004132336 0.22097043937938 0.50963039696320 15.999 > 37 40 O 0.85926004132336 0.72097043937938 0.50963039696320 15.999 > 37 41 O 0.01087718561658 0.12369062438634 0.12605645174116 15.999 > 1 42 O 0.01087718561658 0.62369062438634 0.12605645174116 15.999 > 1 43 O 0.01087718561658 0.12369062438634 0.62605645174116 15.999 > 1 44 O 0.01087718561658 0.62369062438634 0.62605645174116 15.999 > 1 45 O 0.48912281438342 0.12630937561366 0.37605645174116 15.999 > 5 46 O 0.48912281438342 0.62630937561366 0.37605645174116 15.999 > 5 47 O 0.48912281438342 0.12630937561366 0.87605645174116 15.999 > 5 48 O 0.48912281438342 0.62630937561366 0.87605645174116 15.999 > 5 49 O 0.01087718561658 0.12630937561366 0.37605645174116 15.999 > 9 50 O 0.01087718561658 0.62630937561366 0.37605645174116 15.999 > 9 51 O 0.01087718561658 0.12630937561366 0.87605645174116 15.999 > 9 52 O 0.01087718561658 0.62630937561366 0.87605645174116 15.999 > 9 53 O 0.48912281438342 0.12369062438634 0.12605645174116 15.999 > 13 54 O 0.48912281438342 0.62369062438634 0.12605645174116 15.999 > 13 55 O 0.48912281438342 0.12369062438634 0.62605645174116 15.999 > 13 56 O 0.48912281438342 0.62369062438634 0.62605645174116 15.999 > 13 57 O 0.25000000000000 0.18309272570353 0.30751799527821 15.999 > 17 58 O 0.25000000000000 0.68309272570353 0.30751799527821 15.999 > 17 59 O 0.25000000000000 0.18309272570353 0.80751799527821 15.999 > 17 60 O 0.25000000000000 0.68309272570353 0.80751799527821 15.999 > 17 61 O 0.25000000000000 0.06690727429647 0.05751799527821 15.999 > 21 62 O 0.25000000000000 0.56690727429647 0.05751799527821 15.999 > 21 63 O 0.25000000000000 0.06690727429647 0.55751799527821 15.999 > 21 64 O 0.25000000000000 0.56690727429647 0.55751799527821 15.999 > 21 65 O 0.35926004132336 0.27902956062062 0.00963039696320 15.999 > 25 66 O 0.35926004132336 0.77902956062062 0.00963039696320 15.999 > 25 67 O 0.35926004132336 0.27902956062062 0.50963039696320 15.999 > 25 68 O 0.35926004132336 0.77902956062062 0.50963039696320 15.999 > 25 69 O 0.14073995867664 0.47097043937938 0.25963039696320 15.999 > 29 70 O 0.14073995867664 0.97097043937938 0.25963039696320 15.999 > 29 71 O 0.14073995867664 0.47097043937938 0.75963039696320 15.999 > 29 72 O 0.14073995867664 0.97097043937938 0.75963039696320 15.999 > 29 73 O 0.14073995867664 0.27902956062062 0.00963039696320 15.999 > 33 74 O 0.14073995867664 0.77902956062062 0.00963039696320 15.999 > 33 75 O 0.14073995867664 0.27902956062062 0.50963039696320 15.999 > 33 76 O 0.14073995867664 0.77902956062062 0.50963039696320 15.999 > 33 77 O 0.35926004132336 0.47097043937938 0.25963039696320 15.999 > 37 78 O 0.35926004132336 0.97097043937938 0.25963039696320 15.999 > 37 79 O 0.35926004132336 0.47097043937938 0.75963039696320 15.999 > 37 80 O 0.35926004132336 0.97097043937938 0.75963039696320 15.999 > 37 81 Al 0.00000000000000 0.25000000000000 0.00176145229035 26.982 > 81 82 Al 0.00000000000000 0.75000000000000 0.00176145229035 26.982 > 81 83 Al 0.00000000000000 0.25000000000000 0.50176145229035 26.982 > 81 84 Al 0.00000000000000 0.75000000000000 0.50176145229035 26.982 > 81 85 Al 0.00000000000000 0.00000000000000 0.25176145229035 26.982 > 85 86 Al 0.00000000000000 0.50000000000000 0.25176145229035 26.982 > 85 87 Al 0.00000000000000 0.00000000000000 0.75176145229035 26.982 > 85 88 Al 0.00000000000000 0.50000000000000 0.75176145229035 26.982 > 85 89 Al 0.75000000000000 0.46304372461606 0.22695139979965 26.982 > 89 90 Al 0.75000000000000 0.96304372461606 0.22695139979965 26.982 > 89 91 Al 0.75000000000000 0.46304372461606 0.72695139979965 26.982 > 89 92 Al 0.75000000000000 0.96304372461606 0.72695139979965 26.982 > 89 93 Al 0.75000000000000 0.28695627538394 0.47695139979965 26.982 > 93 94 Al 0.75000000000000 0.78695627538394 0.47695139979965 26.982 > 93 95 Al 0.75000000000000 0.28695627538394 0.97695139979965 26.982 > 93 96 Al 0.75000000000000 0.78695627538394 0.97695139979965 26.982 > 93 97 Al 0.50000000000000 0.00000000000000 0.25176145229035 26.982 > 81 98 Al 0.50000000000000 0.50000000000000 0.25176145229035 26.982 > 81 99 Al 0.50000000000000 0.00000000000000 0.75176145229035 26.982 > 81 100 Al 0.50000000000000 0.50000000000000 0.75176145229035 26.982 > 81 101 Al 0.50000000000000 0.25000000000000 0.00176145229035 26.982 > 85 102 Al 0.50000000000000 0.75000000000000 0.00176145229035 26.982 > 85 103 Al 0.50000000000000 0.25000000000000 0.50176145229035 26.982 > 85 104 Al 0.50000000000000 0.75000000000000 0.50176145229035 26.982 > 85 105 Al 0.25000000000000 0.21304372461606 0.47695139979965 26.982 > 89 106 Al 0.25000000000000 0.71304372461606 0.47695139979965 26.982 > 89 107 Al 0.25000000000000 0.21304372461606 0.97695139979965 26.982 > 89 108 Al 0.25000000000000 0.71304372461606 0.97695139979965 26.982 > 89 109 Al 0.25000000000000 0.03695627538394 0.22695139979965 26.982 > 93 110 Al 0.25000000000000 0.53695627538394 0.22695139979965 26.982 > 93 111 Al 0.25000000000000 0.03695627538394 0.72695139979965 26.982 > 93 112 Al 0.25000000000000 0.53695627538394 0.72695139979965 26.982 > 93 113 Ca 0.89289763007112 0.01257245611997 0.49837397261153 40.078 > 113 114 Ca 0.89289763007112 0.51257245611997 0.49837397261153 40.078 > 113 115 Ca 0.89289763007112 0.01257245611997 0.99837397261153 40.078 > 113 116 Ca 0.89289763007112 0.51257245611997 0.99837397261153 40.078 > 113 117 Ca 0.60710236992888 0.23742754388004 0.24837397261153 40.078 > 117 118 Ca 0.60710236992888 0.73742754388004 0.24837397261153 40.078 > 117 119 Ca 0.60710236992888 0.23742754388004 0.74837397261153 40.078 > 117 120 Ca 0.60710236992888 0.73742754388004 0.74837397261153 40.078 > 117 121 Ca 0.89289763007112 0.23742754388004 0.24837397261153 40.078 > 121 122 Ca 0.89289763007112 0.73742754388004 0.24837397261153 40.078 > 121 123 Ca 0.89289763007112 0.23742754388004 0.74837397261153 40.078 > 121 124 Ca 0.89289763007112 0.73742754388004 0.74837397261153 40.078 > 121 125 Ca 0.60710236992888 0.01257245611997 0.49837397261153 40.078 > 125 126 Ca 0.60710236992888 0.51257245611997 0.49837397261153 40.078 > 125 127 Ca 0.60710236992888 0.01257245611997 0.99837397261153 40.078 > 125 128 Ca 0.60710236992888 0.51257245611997 0.99837397261153 40.078 > 125 129 Ca 0.39289763007112 0.26257245611996 0.24837397261153 40.078 > 113 130 Ca 0.39289763007112 0.76257245611996 0.24837397261153 40.078 > 113 131 Ca 0.39289763007112 0.26257245611996 0.74837397261153 40.078 > 113 132 Ca 0.39289763007112 0.76257245611996 0.74837397261153 40.078 > 113 133 Ca 0.10710236992888 0.48742754388004 0.49837397261153 40.078 > 117 134 Ca 0.10710236992888 0.98742754388004 0.49837397261153 40.078 > 117 135 Ca 0.10710236992888 0.48742754388004 0.99837397261153 40.078 > 117 136 Ca 0.10710236992888 0.98742754388004 0.99837397261153 40.078 > 117 137 Ca 0.39289763007112 0.48742754388004 0.49837397261153 40.078 > 121 138 Ca 0.39289763007112 0.98742754388004 0.49837397261153 40.078 > 121 139 Ca 0.39289763007112 0.48742754388004 0.99837397261153 40.078 > 121 140 Ca 0.39289763007112 0.98742754388004 0.99837397261153 40.078 > 121 141 Ca 0.10710236992888 0.26257245611996 0.24837397261153 40.078 > 125 142 Ca 0.10710236992888 0.76257245611996 0.24837397261153 40.078 > 125 143 Ca 0.10710236992888 0.26257245611996 0.74837397261153 40.078 > 125 144 Ca 0.10710236992888 0.76257245611996 0.74837397261153 40.078 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4892818 0.0000000 0.0000000 0.0000000 3.4725993 0.0000000 0.0000000 0.0000000 3.4493030 -------------------------- Born effective charges -------------------------- 1 O -1.7521615 -0.0023450 0.0080206 0.0034961 -2.3562321 0.1379686 0.0023005 0.1648840 -2.2363876 2 O -1.7521615 -0.0023450 -0.0080206 0.0034961 -2.3562321 -0.1379686 -0.0023005 -0.1648840 -2.2363876 3 O -1.7521615 0.0023450 0.0080206 -0.0034961 -2.3562321 -0.1379686 0.0023005 -0.1648840 -2.2363876 4 O -1.7521615 0.0023450 -0.0080206 -0.0034961 -2.3562321 0.1379686 -0.0023005 0.1648840 -2.2363876 5 O -2.0671499 0.0000000 0.0000000 0.0000000 -1.8515930 -0.3090412 0.0000000 -0.3099552 -2.1068489 6 O -2.0671499 0.0000000 0.0000000 0.0000000 -1.8515930 0.3090412 0.0000000 0.3099552 -2.1068489 7 O -2.3855255 -0.2589898 -0.0820226 -0.2443456 -1.8843309 -0.0250960 -0.1022305 -0.0257958 -1.7782773 8 O -2.3855255 -0.2589898 0.0820226 -0.2443456 -1.8843309 0.0250960 0.1022305 0.0257958 -1.7782773 9 O -2.3855255 0.2589898 0.0820226 0.2443456 -1.8843309 -0.0250960 0.1022305 -0.0257958 -1.7782773 10 O -2.3855255 0.2589898 -0.0820226 0.2443456 -1.8843309 0.0250960 -0.1022305 0.0257958 -1.7782773 11 Al 2.8839709 0.1360258 0.0000000 0.0432965 3.0274949 0.0000000 0.0000000 0.0000000 2.9051083 12 Al 2.8839709 -0.1360258 0.0000000 -0.0432965 3.0274949 0.0000000 0.0000000 0.0000000 2.9051083 13 Al 2.8801571 0.0000000 0.0000000 0.0000000 2.2960543 -0.0251764 0.0000000 -0.0842422 2.4547206 14 Al 2.8801571 0.0000000 0.0000000 0.0000000 2.2960543 0.0251764 0.0000000 0.0842422 2.4547206 15 Ca 2.2891980 0.0248366 -0.0627444 0.0500789 2.5045849 -0.0179573 -0.0531834 -0.0281383 2.3881748 16 Ca 2.2891980 0.0248366 0.0627444 0.0500789 2.5045849 0.0179573 0.0531834 0.0281383 2.3881748 17 Ca 2.2891980 -0.0248366 -0.0627444 -0.0500789 2.5045849 0.0179573 -0.0531834 0.0281383 2.3881748 18 Ca 2.2891980 -0.0248366 0.0627444 -0.0500789 2.5045849 -0.0179573 0.0531834 -0.0281383 2.3881748 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 1 3 180 ] Grid generation matrix: [ 0 3 3 ] [ 9 0 9 ] [ 10 10 0 ] 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: 0.71, Number of G-points: 303, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/110) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 110 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 4.600 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 -0.000) 0.000 4.791 ( 0.000 0.000 -0.000) 0.000 5.193 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 -0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 6.146 ( 0.000 0.000 0.000) 0.000 6.316 ( 0.000 0.000 0.000) 0.000 6.717 ( 0.000 0.000 -0.000) 0.000 6.758 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 -0.000) 0.000 7.391 ( 0.000 0.000 0.000) 0.000 7.678 ( 0.000 0.000 0.000) 0.000 7.807 ( 0.000 0.000 -0.000) 0.000 7.967 ( 0.000 0.000 -0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.134 ( 0.000 0.000 0.000) 0.000 8.978 ( 0.000 0.000 -0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.653 ( 0.000 0.000 -0.000) 0.000 9.874 ( 0.000 0.000 -0.000) 0.000 9.922 ( 0.000 0.000 0.000) 0.000 10.147 ( 0.000 0.000 -0.000) 0.000 10.267 ( 0.000 0.000 0.000) 0.000 11.127 ( 0.000 0.000 -0.000) 0.000 11.348 ( 0.000 0.000 -0.000) 0.000 11.560 ( 0.000 0.000 0.000) 0.000 11.572 ( 0.000 0.000 -0.000) 0.000 12.929 ( 0.000 0.000 -0.000) 0.000 12.996 ( 0.000 0.000 0.000) 0.000 13.094 ( 0.000 0.000 0.000) 0.000 13.195 ( 0.000 0.000 0.000) 0.000 13.378 ( 0.000 0.000 0.000) 0.000 13.617 ( 0.000 0.000 0.000) 0.000 13.889 ( 0.000 0.000 0.000) 0.000 14.866 ( 0.000 0.000 -0.000) 0.000 15.601 ( 0.000 0.000 -0.000) 0.000 16.217 ( 0.000 0.000 0.000) 0.000 16.455 ( 0.000 0.000 -0.000) 0.000 16.669 ( 0.000 0.000 -0.000) 0.000 17.434 ( 0.000 0.000 -0.000) 0.000 19.252 ( 0.000 0.000 -0.000) 0.000 20.122 ( 0.000 0.000 -0.000) 0.000 20.715 ( 0.000 0.000 0.000) 0.000 21.071 ( 0.000 0.000 0.000) 0.000 21.953 ( 0.000 0.000 0.000) 0.000 22.650 ( 0.000 0.000 0.000) 0.000 22.808 ( 0.000 0.000 0.000) 0.000 24.260 ( 0.000 0.000 0.000) 0.000 24.292 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/110) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.728 ( -12.651 33.654 0.000) 35.954 2.839 ( 13.811 34.245 0.000) 36.925 3.784 ( -17.464 -20.515 -0.000) 26.942 4.405 ( -4.716 -4.894 -0.000) 6.797 4.742 ( 3.048 -7.120 -0.000) 7.745 4.767 ( 2.315 -9.440 -0.000) 9.720 4.881 ( -3.129 -2.925 -0.000) 4.284 4.934 ( 12.499 6.718 0.000) 14.190 5.194 ( 20.573 8.788 0.000) 22.372 5.976 ( 4.060 -8.378 -0.000) 9.310 6.061 ( 2.589 3.407 0.000) 4.279 6.288 ( 9.179 -12.558 -0.000) 15.555 6.578 ( -15.507 -11.814 -0.000) 19.495 6.901 ( 7.615 -2.512 0.000) 8.018 7.033 ( -9.929 0.736 -0.000) 9.956 7.179 ( -4.333 9.726 0.000) 10.647 7.767 ( 2.256 6.441 0.000) 6.825 7.945 ( -2.250 0.558 -0.000) 2.318 8.152 ( 8.764 8.507 0.000) 12.213 8.398 ( 6.688 0.361 0.000) 6.698 8.732 ( 0.923 -8.694 -0.000) 8.743 8.887 ( -1.326 6.751 0.000) 6.880 9.404 ( -15.376 -3.364 -0.000) 15.739 9.595 ( 2.936 -7.681 -0.000) 8.223 9.814 ( -3.266 6.354 0.000) 7.144 10.211 ( -10.980 5.005 -0.000) 12.067 10.655 ( -2.093 15.679 0.000) 15.818 10.828 ( -5.934 9.768 0.000) 11.429 11.033 ( 5.146 2.112 0.000) 5.563 11.751 ( -7.106 5.630 0.000) 9.066 11.982 ( 3.461 -1.714 0.000) 3.862 12.139 ( 9.507 5.372 0.000) 10.920 12.673 ( 3.216 -4.708 -0.000) 5.702 12.986 ( -2.822 -2.324 -0.000) 3.656 13.449 ( 0.287 -3.883 -0.000) 3.893 13.631 ( -2.775 -19.859 -0.000) 20.052 13.749 ( -1.776 1.852 0.000) 2.566 14.065 ( 13.364 11.968 0.000) 17.939 14.883 ( 0.397 2.779 0.000) 2.808 14.999 ( 2.101 -1.300 0.000) 2.471 15.520 ( -7.883 -12.299 -0.000) 14.608 16.107 ( 0.461 16.458 0.000) 16.464 16.411 ( 13.294 11.542 0.000) 17.605 17.271 ( -10.964 3.420 -0.000) 11.485 18.034 ( 3.609 2.232 0.000) 4.243 18.272 ( 0.018 -30.829 -0.000) 30.829 20.465 ( -9.785 0.118 -0.000) 9.786 21.216 ( 8.375 2.437 0.000) 8.723 21.955 ( 0.202 0.061 0.000) 0.211 22.186 ( -6.909 7.142 0.000) 9.937 22.717 ( -6.287 3.719 -0.000) 7.305 23.612 ( -8.262 2.060 -0.000) 8.515 24.420 ( -7.279 5.520 0.000) 9.135 24.940 ( 24.186 -14.301 0.000) 28.098 ======================= Grid point 3 (3/110) ======================= q-point: ( 0.11 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 0.000 33.010 36.403) 49.141 1.453 ( 0.000 38.967 31.831) 50.315 2.278 ( 0.000 58.244 52.239) 78.238 4.546 ( -0.000 1.737 -9.025) 9.191 4.643 ( -0.000 -2.525 -11.004) 11.290 5.060 ( 0.000 -14.526 15.798) 21.461 5.141 ( -0.000 -7.212 2.467) 7.622 5.500 ( -0.000 -25.640 4.805) 26.086 5.900 ( -0.000 -17.151 17.109) 24.225 6.233 ( -0.000 -2.105 1.544) 2.611 6.401 ( -0.000 -7.666 -6.335) 9.945 6.620 ( -0.000 -6.653 -4.411) 7.982 6.692 ( 0.000 1.064 5.869) 5.964 6.858 ( 0.000 12.599 4.783) 13.477 7.214 ( -0.000 -0.884 -2.090) 2.269 7.275 ( -0.000 3.858 -5.550) 6.759 7.505 ( -0.000 -24.389 3.923) 24.702 7.946 ( -0.000 -5.826 -5.520) 8.026 7.963 ( 0.000 3.988 12.287) 12.918 8.166 ( 0.000 4.471 4.664) 6.461 8.935 ( -0.000 -5.644 1.321) 5.797 9.209 ( 0.000 10.806 8.506) 13.752 9.320 ( 0.000 -2.920 3.613) 4.645 9.784 ( -0.000 -1.021 -1.576) 1.877 9.986 ( 0.000 7.991 3.112) 8.575 10.012 ( -0.000 -0.047 -2.172) 2.172 10.340 ( 0.000 10.628 -3.292) 11.126 10.470 ( 0.000 2.157 11.367) 11.570 11.129 ( -0.000 -2.555 -3.159) 4.063 11.562 ( 0.000 6.234 2.890) 6.872 11.582 ( 0.000 2.602 -0.118) 2.605 11.883 ( 0.000 17.488 0.198) 17.489 12.926 ( -0.000 -0.088 -2.487) 2.488 13.007 ( -0.000 -8.694 2.216) 8.972 13.194 ( -0.000 -3.832 -5.313) 6.551 13.282 ( 0.000 4.003 3.365) 5.230 13.629 ( -0.000 5.854 -9.450) 11.116 14.226 ( 0.000 13.342 14.853) 19.965 14.700 ( 0.000 11.089 -1.171) 11.151 15.319 ( -0.000 -23.978 -2.839) 24.146 15.763 ( -0.000 -3.853 -22.208) 22.540 16.042 ( 0.000 -8.325 20.525) 22.149 16.242 ( -0.000 -14.357 -8.795) 16.837 17.092 ( 0.000 19.548 9.429) 21.703 17.744 ( 0.000 11.714 -5.387) 12.894 19.477 ( -0.000 -22.632 20.801) 30.739 20.702 ( -0.000 4.414 -18.387) 18.910 20.752 ( 0.000 2.351 0.141) 2.356 21.381 ( 0.000 19.426 -17.938) 26.441 22.575 ( 0.000 -6.525 14.655) 16.042 22.739 ( 0.000 -0.313 5.880) 5.889 24.165 ( -0.000 -4.944 -1.120) 5.069 24.299 ( -0.000 1.031 -13.385) 13.425 24.377 ( 0.000 4.128 0.613) 4.173 ======================= Grid point 4 (4/110) ======================= q-point: ( 0.11 -0.01 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( -3.066 -0.951 5.665) 6.511 3.505 ( 1.510 14.011 5.602) 15.165 3.900 ( -11.611 12.203 17.285) 24.135 4.276 ( 3.314 -8.261 0.943) 8.951 4.357 ( -5.029 -10.268 7.558) 13.705 4.640 ( 2.470 -7.997 4.552) 9.527 4.780 ( 5.774 -0.041 -3.024) 6.518 5.033 ( -5.482 -2.431 1.349) 6.147 5.472 ( 19.525 8.393 -2.376) 21.385 5.836 ( 6.956 -3.382 0.803) 7.777 6.058 ( -6.845 -5.117 -0.442) 8.558 6.288 ( 0.008 1.349 2.633) 2.958 6.437 ( -7.140 2.546 6.133) 9.751 6.884 ( -1.015 -2.485 1.265) 2.967 7.089 ( 6.903 2.636 0.532) 7.408 7.347 ( -7.915 2.993 -0.320) 8.468 7.750 ( 4.097 -0.455 -2.461) 4.801 8.017 ( -1.035 5.541 4.069) 6.953 8.381 ( 9.486 0.663 6.906) 11.752 8.519 ( 0.440 1.482 5.588) 5.798 8.742 ( -5.018 3.439 13.462) 14.772 9.125 ( 4.414 3.650 8.417) 10.181 9.249 ( -6.875 -9.408 1.681) 11.773 9.390 ( -0.208 -1.698 -3.206) 3.633 9.965 ( -2.682 -4.002 8.497) 9.767 10.355 ( -3.448 4.222 2.336) 5.930 10.769 ( 3.080 2.356 -0.870) 3.975 11.083 ( -2.873 5.119 -3.082) 6.630 11.255 ( -2.455 23.246 -1.034) 23.398 11.724 ( -2.109 -14.131 -4.825) 15.080 11.918 ( -3.230 0.187 -2.607) 4.155 12.127 ( 7.061 1.265 -1.449) 7.319 12.432 ( 4.847 -14.680 -4.010) 15.971 12.823 ( -4.128 -6.673 -3.164) 8.460 13.173 ( 2.388 -2.620 -11.569) 12.100 13.371 ( -2.909 -3.822 5.539) 7.331 13.977 ( -3.434 22.246 -15.773) 27.486 14.273 ( 6.669 7.988 -7.305) 12.714 14.501 ( 4.741 -17.358 -16.268) 24.257 15.179 ( -0.484 4.685 18.751) 19.333 15.367 ( -7.178 -11.002 8.195) 15.483 16.609 ( 5.192 12.975 5.538) 15.033 16.785 ( 5.607 26.223 3.280) 27.016 17.455 ( -10.115 2.544 15.641) 18.799 17.738 ( 0.837 -32.847 16.782) 36.895 18.171 ( 2.021 0.095 9.030) 9.254 20.433 ( -5.655 -1.113 -2.133) 6.146 21.108 ( 8.561 -0.475 -12.306) 14.999 21.922 ( 7.186 1.030 -2.757) 7.765 22.354 ( -15.475 2.184 3.215) 15.956 22.813 ( -2.721 1.648 4.707) 5.681 23.585 ( -4.925 -0.850 -3.550) 6.131 24.360 ( 11.734 -5.911 -7.448) 15.103 24.761 ( -0.064 4.435 -5.817) 7.315 ======================= Grid point 5 (5/110) ======================= q-point: ( 0.11 -0.01 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 5.663 -37.613 18.324) 42.221 2.414 ( -22.347 -29.373 25.969) 45.128 4.077 ( -14.449 -24.413 10.121) 30.120 4.416 ( 0.262 2.083 -3.759) 4.305 4.595 ( -7.357 -2.621 2.250) 8.127 4.723 ( 3.019 3.410 0.703) 4.608 4.877 ( 2.401 3.152 6.085) 7.261 5.080 ( -0.751 10.291 7.388) 12.690 5.494 ( 5.240 10.730 6.362) 13.530 6.057 ( 5.551 4.397 3.296) 7.811 6.276 ( -5.139 12.104 -5.882) 14.406 6.490 ( -6.223 10.521 -5.269) 13.311 6.756 ( 2.400 9.637 -4.790) 11.026 6.928 ( 5.863 5.368 -2.529) 8.342 7.122 ( -0.621 4.277 2.202) 4.850 7.193 ( 1.203 2.203 11.223) 11.501 7.505 ( -1.201 -26.806 15.816) 31.147 7.912 ( 2.077 -2.936 0.402) 3.619 8.118 ( -13.546 7.473 -3.576) 15.878 8.479 ( -8.742 -0.896 4.956) 10.089 8.789 ( 1.163 -2.246 0.149) 2.534 8.985 ( 2.856 3.937 6.021) 7.740 9.347 ( 28.127 -11.645 4.588) 30.786 9.480 ( 6.078 -1.793 1.078) 6.428 9.963 ( -3.662 3.885 2.795) 6.026 10.204 ( 6.230 -2.899 3.417) 7.674 10.427 ( 7.970 -5.825 5.756) 11.427 10.646 ( -3.651 -6.049 -2.923) 7.646 11.043 ( -0.680 -1.331 3.420) 3.732 11.601 ( 1.661 -5.595 -2.193) 6.235 11.877 ( -6.886 -4.214 -2.798) 8.545 12.037 ( -2.420 -7.810 -0.030) 8.177 12.724 ( 7.337 5.128 -2.407) 9.269 13.121 ( -6.268 0.752 5.125) 8.132 13.152 ( 2.034 -9.181 -7.326) 11.920 13.506 ( 7.810 1.507 -11.772) 14.208 13.829 ( -19.899 -7.813 0.323) 21.381 14.336 ( -1.290 20.417 -2.967) 20.672 14.876 ( -0.743 -2.757 7.156) 7.705 14.967 ( -2.598 -1.317 8.629) 9.107 15.709 ( -2.127 4.295 -12.644) 13.522 15.923 ( 1.473 12.619 -7.537) 14.773 16.260 ( -9.677 -9.310 5.948) 14.687 17.286 ( 9.175 -8.976 11.218) 17.047 17.985 ( -4.781 -6.355 1.730) 8.138 19.003 ( 1.648 22.701 16.838) 28.312 20.421 ( 11.561 -1.434 -3.086) 12.051 20.954 ( 5.736 -9.124 -16.187) 19.447 21.815 ( -15.907 -4.776 -4.927) 17.324 22.222 ( 18.783 -3.107 9.908) 21.462 22.690 ( 2.137 -2.193 6.163) 6.882 23.500 ( 10.684 -7.768 0.326) 13.214 24.292 ( 9.204 -3.913 -0.534) 10.016 25.190 ( -32.406 19.996 -13.364) 40.356 ======================= Grid point 6 (6/110) ======================= q-point: ( 0.21 -0.01 0.01) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.687 ( 0.000 26.547 28.578) 39.006 2.749 ( 0.000 31.792 23.677) 39.640 4.125 ( 0.000 21.159 6.809) 22.227 4.317 ( -0.000 -3.386 -9.161) 9.767 4.515 ( 0.000 23.670 21.414) 31.919 4.897 ( -0.000 -22.180 4.340) 22.601 5.042 ( -0.000 -10.555 10.168) 14.655 5.198 ( -0.000 -10.691 7.212) 12.896 5.755 ( -0.000 -11.912 -3.153) 12.322 6.033 ( -0.000 -12.317 -5.783) 13.607 6.190 ( 0.000 -3.495 4.789) 5.929 6.416 ( -0.000 -14.007 4.808) 14.810 6.684 ( -0.000 1.862 -5.675) 5.973 6.906 ( -0.000 -3.132 -9.367) 9.877 7.217 ( 0.000 0.245 1.869) 1.885 7.245 ( -0.000 -3.047 0.150) 3.051 7.660 ( -0.000 -8.486 -6.537) 10.712 7.923 ( 0.000 21.089 18.404) 27.990 8.151 ( 0.000 3.560 14.544) 14.973 8.469 ( 0.000 9.754 11.597) 15.154 8.771 ( -0.000 -9.434 -1.315) 9.525 9.362 ( -0.000 1.092 -3.304) 3.480 9.390 ( 0.000 -0.695 9.090) 9.117 9.828 ( -0.000 -2.924 1.421) 3.251 10.057 ( 0.000 0.427 8.678) 8.689 10.235 ( 0.000 9.365 2.604) 9.720 10.590 ( 0.000 15.395 0.018) 15.395 10.613 ( 0.000 -2.835 5.556) 6.237 11.212 ( 0.000 2.837 11.669) 12.009 11.655 ( -0.000 2.967 -4.488) 5.380 11.670 ( 0.000 5.386 0.630) 5.423 12.117 ( -0.000 1.470 -2.512) 2.911 12.840 ( -0.000 -8.105 -1.466) 8.237 12.885 ( -0.000 5.990 -9.439) 11.179 13.103 ( 0.000 5.173 -1.984) 5.541 13.396 ( -0.000 -0.430 -16.238) 16.244 13.476 ( 0.000 1.192 9.554) 9.628 14.169 ( -0.000 -31.475 -11.232) 33.420 14.766 ( -0.000 -14.704 -24.518) 28.590 15.181 ( 0.000 16.298 20.935) 26.531 15.676 ( 0.000 17.191 12.190) 21.074 15.890 ( -0.000 -1.730 1.091) 2.045 16.367 ( 0.000 3.805 18.037) 18.434 17.622 ( 0.000 14.958 8.009) 16.967 17.935 ( 0.000 10.092 0.657) 10.113 19.382 ( -0.000 -21.601 16.971) 27.470 20.378 ( -0.000 3.297 -22.381) 22.623 20.759 ( -0.000 0.479 -3.824) 3.854 21.451 ( 0.000 9.548 -6.031) 11.293 22.715 ( 0.000 -0.673 4.202) 4.256 22.866 ( 0.000 -0.209 8.968) 8.970 23.971 ( -0.000 -6.993 -13.436) 15.147 24.029 ( -0.000 -5.169 -1.753) 5.458 24.450 ( 0.000 2.531 -0.893) 2.684 ======================= Grid point 7 (7/110) ======================= q-point: ( 0.21 -0.01 -0.66) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.223 ( -0.686 -8.945 7.164) 11.481 3.494 ( 7.770 -5.439 8.283) 12.592 4.194 ( -3.111 -5.460 9.055) 11.022 4.403 ( -1.507 -11.627 7.141) 13.728 4.553 ( -2.467 10.488 10.067) 14.745 4.696 ( 3.188 4.313 0.408) 5.379 4.874 ( -2.954 6.130 3.346) 7.583 5.012 ( -3.066 5.097 9.355) 11.085 5.547 ( 8.884 4.230 -3.609) 10.481 5.844 ( 4.147 4.398 2.203) 6.434 6.000 ( -3.277 0.667 -0.232) 3.353 6.427 ( -6.126 8.053 0.621) 10.137 6.640 ( -9.356 -2.398 6.938) 11.892 6.768 ( -0.423 -1.336 -4.067) 4.302 7.076 ( 8.695 -4.443 -0.038) 9.765 7.474 ( -6.455 0.636 8.522) 10.710 7.745 ( 4.905 4.652 -1.381) 6.900 8.212 ( -5.586 0.256 4.626) 7.257 8.401 ( 6.058 1.574 -0.173) 6.262 8.687 ( -9.725 6.570 1.228) 11.800 9.007 ( 0.638 -8.768 8.385) 12.149 9.197 ( 9.246 -0.370 6.972) 11.586 9.307 ( 2.083 -0.640 17.084) 17.222 9.561 ( -6.925 -7.910 18.855) 21.588 10.085 ( 6.590 -1.925 9.297) 11.557 10.406 ( 0.093 -9.669 12.398) 15.723 10.719 ( 0.954 -5.421 -0.274) 5.512 11.010 ( 2.160 -19.835 -5.387) 20.667 11.231 ( -3.478 2.487 2.142) 4.782 11.620 ( 1.368 13.863 -6.192) 15.245 11.700 ( 3.501 -4.647 -10.477) 11.985 12.108 ( 1.584 -2.250 -10.787) 11.133 12.465 ( -4.672 21.994 -0.507) 22.491 12.673 ( 0.969 1.207 -6.521) 6.702 12.839 ( 3.600 1.450 -14.033) 14.560 13.503 ( 1.646 -15.504 -11.870) 19.595 13.629 ( -3.642 -5.744 3.556) 7.674 14.068 ( -2.237 21.132 -25.989) 33.571 14.385 ( -4.040 8.906 -9.947) 13.950 15.250 ( 0.462 -6.124 1.108) 6.241 15.774 ( -0.524 0.544 30.674) 30.683 16.821 ( 5.224 -13.756 19.825) 24.689 17.127 ( -8.658 -5.672 10.499) 14.743 17.593 ( 6.414 -17.782 20.128) 27.613 18.174 ( -3.266 21.959 20.491) 30.212 18.358 ( 1.379 5.396 9.111) 10.679 20.333 ( -1.555 -2.394 -5.197) 5.930 20.747 ( 6.911 -5.148 -19.131) 20.982 21.892 ( 11.036 0.706 -2.407) 11.317 22.359 ( -18.670 -0.905 -2.798) 18.900 22.954 ( -0.788 -1.533 8.389) 8.564 23.471 ( -2.335 0.305 -6.096) 6.535 24.079 ( 16.152 -4.575 -6.689) 18.071 24.778 ( -9.696 11.371 -11.241) 18.699 ======================= Grid point 8 (8/110) ======================= q-point: ( 0.21 -0.01 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -3.781 -16.617 33.851) 37.899 2.453 ( -24.634 -24.542 30.070) 45.972 3.884 ( -20.653 -19.839 30.398) 41.763 4.245 ( 7.596 1.478 -16.023) 17.794 4.490 ( -19.247 -9.031 10.180) 23.571 5.124 ( 9.677 13.361 6.212) 17.627 5.217 ( 8.349 10.030 6.528) 14.592 5.435 ( 4.530 6.952 5.813) 10.131 5.792 ( 15.778 6.671 3.407) 17.466 6.116 ( 12.166 -0.247 -2.108) 12.349 6.235 ( 0.381 6.122 -15.883) 17.026 6.521 ( -10.315 3.768 -4.578) 11.897 6.724 ( 3.895 1.379 -0.098) 4.133 7.034 ( -5.619 3.264 -6.031) 8.866 7.340 ( -8.266 7.659 -0.028) 11.269 7.430 ( -0.093 1.501 6.293) 6.470 7.479 ( 1.092 -8.700 22.250) 23.915 7.978 ( 0.119 8.663 4.758) 9.885 8.214 ( -11.245 2.427 1.815) 11.646 8.476 ( -8.002 -7.014 4.374) 11.505 8.761 ( 8.696 -0.666 1.772) 8.900 9.058 ( 7.232 -7.410 7.027) 12.513 9.392 ( 12.805 5.123 3.147) 14.147 9.590 ( 12.542 0.204 8.908) 15.385 9.976 ( 2.891 -7.086 -1.889) 7.883 10.173 ( 1.156 -4.801 6.474) 8.142 10.286 ( 3.147 -10.195 5.303) 11.915 10.627 ( 3.203 -3.315 1.357) 4.805 11.090 ( -1.579 3.839 2.814) 5.015 11.495 ( -0.260 -3.846 0.199) 3.860 11.733 ( -0.700 -13.137 -1.877) 13.289 11.817 ( -6.258 -2.682 -2.718) 7.331 12.851 ( 7.848 9.815 -2.225) 12.762 12.950 ( 2.932 6.263 -2.754) 7.443 13.219 ( 8.740 0.977 -4.904) 10.069 13.449 ( -12.657 2.744 6.275) 14.392 13.715 ( -19.233 -6.736 3.707) 20.713 14.551 ( -2.576 1.899 10.703) 11.171 14.932 ( -4.471 -6.727 8.933) 12.044 15.087 ( -2.113 7.706 -27.345) 28.489 15.546 ( -3.286 6.391 5.902) 9.299 16.028 ( 0.178 8.576 -8.275) 11.918 16.444 ( -3.095 9.611 9.386) 13.786 17.130 ( 6.280 -19.780 1.588) 20.814 17.770 ( -4.857 -13.711 -1.024) 14.582 19.684 ( 2.808 11.225 6.469) 13.256 20.172 ( 8.735 -4.431 -16.792) 19.440 20.453 ( 17.715 -9.913 -1.496) 20.355 21.696 ( -29.304 -2.335 0.592) 29.403 22.298 ( 26.936 -1.335 4.236) 27.300 22.892 ( 0.588 3.083 9.712) 10.207 23.433 ( 9.515 -4.760 8.597) 13.678 24.285 ( 9.683 -0.061 3.924) 10.448 25.184 ( -35.393 12.426 -22.253) 43.615 ======================= Grid point 9 (9/110) ======================= q-point: ( 0.32 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.374 ( 0.000 5.686 0.099) 5.687 3.483 ( 0.000 7.755 8.434) 11.458 4.045 ( 0.000 11.532 -7.437) 13.722 4.437 ( 0.000 9.492 14.527) 17.354 4.618 ( -0.000 -10.099 6.234) 11.868 5.000 ( 0.000 -8.905 9.277) 12.859 5.182 ( 0.000 -5.440 7.232) 9.050 5.403 ( -0.000 -5.775 -0.463) 5.793 5.656 ( 0.000 -6.900 19.035) 20.247 5.725 ( -0.000 -5.923 -6.637) 8.895 6.227 ( -0.000 -2.256 1.392) 2.651 6.522 ( -0.000 -8.258 -4.312) 9.316 6.533 ( 0.000 17.016 16.223) 23.511 6.756 ( -0.000 5.823 -6.014) 8.371 7.252 ( 0.000 -2.068 2.976) 3.624 7.279 ( 0.000 5.241 -1.114) 5.358 7.477 ( 0.000 3.129 -0.965) 3.274 7.863 ( -0.000 -9.763 -4.355) 10.690 8.378 ( -0.000 -9.190 -6.536) 11.277 8.950 ( 0.000 8.512 13.962) 16.353 9.279 ( -0.000 -2.386 0.849) 2.532 9.402 ( 0.000 21.879 30.392) 37.449 9.591 ( -0.000 -13.899 -6.430) 15.314 9.616 ( 0.000 10.582 14.268) 17.764 10.299 ( 0.000 6.821 7.873) 10.417 10.466 ( 0.000 6.151 4.802) 7.804 10.745 ( 0.000 -0.591 11.577) 11.592 10.903 ( 0.000 14.545 -0.038) 14.545 11.409 ( -0.000 -9.272 5.984) 11.036 11.595 ( 0.000 8.029 -5.699) 9.846 11.804 ( 0.000 2.928 3.296) 4.409 11.815 ( -0.000 -12.270 -13.335) 18.121 12.578 ( -0.000 -15.351 -7.387) 17.036 12.749 ( -0.000 8.128 -18.188) 19.921 12.979 ( -0.000 -29.720 -17.360) 34.419 13.129 ( -0.000 -6.622 3.834) 7.652 13.383 ( 0.000 18.848 -6.062) 19.799 13.819 ( -0.000 -9.579 -9.419) 13.434 13.939 ( -0.000 -5.602 -5.633) 7.945 15.526 ( -0.000 -4.061 -11.291) 11.999 16.039 ( 0.000 16.679 29.397) 33.799 16.878 ( 0.000 8.612 20.983) 22.681 16.962 ( 0.000 28.608 39.309) 48.617 18.007 ( 0.000 11.156 4.764) 12.130 18.113 ( 0.000 8.705 -4.041) 9.597 19.248 ( -0.000 -24.658 18.933) 31.088 20.019 ( -0.000 7.226 -25.629) 26.628 20.575 ( -0.000 -5.330 -11.490) 12.666 21.540 ( 0.000 6.391 -1.799) 6.639 22.649 ( -0.000 -4.066 -5.294) 6.675 23.065 ( 0.000 1.144 9.123) 9.195 23.559 ( -0.000 -8.814 -10.518) 13.723 23.901 ( -0.000 -4.134 -1.248) 4.318 24.437 ( -0.000 0.599 -3.502) 3.553 ======================= Grid point 10 (10/110) ======================= q-point: ( 0.32 -0.02 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.039 ( 7.264 -14.370 6.786) 17.473 3.696 ( -0.913 5.217 -2.033) 5.673 4.142 ( -2.752 -6.555 6.471) 9.613 4.381 ( -7.404 -10.613 14.293) 19.281 4.633 ( 0.246 -2.720 4.235) 5.039 4.973 ( 1.776 4.809 9.837) 11.093 5.133 ( 3.503 10.721 3.373) 11.772 5.349 ( 2.276 4.652 4.001) 6.544 5.542 ( 4.172 4.264 -0.352) 5.976 6.002 ( 2.841 8.887 -4.908) 10.542 6.099 ( -0.375 4.201 1.985) 4.661 6.435 ( -4.807 -3.181 0.035) 5.764 6.703 ( 0.995 3.961 -3.259) 5.225 6.811 ( -9.986 4.603 2.190) 11.212 7.010 ( 2.073 1.096 0.883) 2.505 7.488 ( -15.951 -5.279 1.262) 16.849 7.865 ( 7.788 4.266 1.035) 8.940 8.250 ( -2.464 -1.248 2.241) 3.557 8.564 ( 6.348 8.322 1.961) 10.649 8.771 ( -5.906 -0.379 3.096) 6.678 8.984 ( -7.146 0.413 -1.041) 7.233 9.246 ( 3.745 -7.819 5.992) 10.539 9.518 ( 0.937 -28.200 28.088) 39.812 9.761 ( -2.526 -3.594 18.861) 19.366 10.059 ( 14.353 -4.930 4.564) 15.848 10.319 ( 0.256 -10.239 8.408) 13.251 10.704 ( 9.965 -9.907 4.603) 14.787 11.025 ( 1.116 1.075 19.149) 19.211 11.179 ( -1.239 -3.935 -10.018) 10.834 11.469 ( -2.789 9.152 -10.246) 14.018 11.707 ( -1.998 1.474 -3.124) 3.991 11.947 ( 1.600 0.286 -2.708) 3.159 12.510 ( 2.916 -2.034 -4.923) 6.073 12.645 ( 8.594 -5.671 -2.793) 10.668 12.799 ( 1.866 -1.874 -11.842) 12.134 13.078 ( -3.099 36.750 -16.629) 40.456 13.779 ( -7.827 7.920 -15.288) 18.913 13.946 ( -2.302 9.091 -7.888) 12.254 14.386 ( -12.289 5.320 -4.371) 14.086 15.114 ( 6.735 -3.040 -5.244) 9.061 16.322 ( -3.482 -4.922 29.680) 30.286 16.917 ( 0.944 -25.889 35.779) 44.173 17.123 ( -6.112 -17.255 15.156) 23.765 17.569 ( 8.724 -13.879 6.334) 17.575 18.283 ( -1.768 -5.719 -3.229) 6.802 19.226 ( 0.242 23.800 21.109) 31.813 19.985 ( 0.136 -11.138 -23.617) 26.112 20.308 ( 8.225 -2.303 -10.369) 13.434 21.849 ( 12.833 -0.782 -2.499) 13.097 22.286 ( -20.172 2.115 -3.775) 20.631 23.049 ( 0.072 -1.994 7.155) 7.427 23.436 ( -1.452 3.649 -2.040) 4.425 23.970 ( 14.990 0.806 -0.747) 15.030 24.791 ( -12.265 13.524 -13.960) 22.983 ======================= Grid point 11 (11/110) ======================= q-point: ( 0.32 -0.02 -0.32) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 0.414 -0.000 26.726) 26.730 2.733 ( -21.783 -0.000 32.035) 38.739 3.935 ( 6.493 0.000 -15.418) 16.730 4.058 ( 2.377 0.000 6.476) 6.898 4.918 ( -32.857 -0.000 32.799) 46.426 5.337 ( 8.149 0.000 3.446) 8.848 5.402 ( -3.005 -0.000 0.490) 3.045 5.546 ( 19.625 0.000 -2.047) 19.732 5.685 ( 22.431 0.000 -2.869) 22.613 5.989 ( 5.489 0.000 -11.075) 12.361 6.289 ( -17.367 -0.000 -13.808) 22.187 6.302 ( 5.619 0.000 3.946) 6.866 6.771 ( -12.786 -0.000 -1.325) 12.855 6.993 ( -11.704 -0.000 -3.789) 12.302 7.353 ( 15.145 0.000 -7.238) 16.786 7.455 ( -6.446 -0.000 3.834) 7.500 7.903 ( -0.668 -0.000 24.083) 24.092 8.252 ( -7.931 -0.000 3.199) 8.551 8.352 ( -2.563 -0.000 3.129) 4.045 8.419 ( 6.282 0.000 6.184) 8.815 8.773 ( 2.293 0.000 5.044) 5.541 9.040 ( -2.881 -0.000 2.615) 3.891 9.506 ( 5.086 0.000 -3.920) 6.421 9.599 ( 10.438 0.000 -5.271) 11.693 10.020 ( 15.456 0.000 18.314) 23.964 10.053 ( -5.469 -0.000 -0.385) 5.482 10.498 ( 9.739 0.000 13.197) 16.401 10.760 ( 8.341 0.000 22.347) 23.853 11.324 ( -13.124 -0.000 -4.363) 13.830 11.342 ( -4.122 -0.000 -0.618) 4.168 11.503 ( 4.012 0.000 -1.858) 4.421 11.706 ( -3.450 -0.000 -3.429) 4.864 12.827 ( 7.909 0.000 -13.597) 15.730 13.007 ( 14.678 0.000 6.505) 16.055 13.413 ( 3.009 -0.000 13.202) 13.541 13.441 ( -27.571 -0.000 -8.321) 28.800 13.867 ( -11.732 -0.000 15.428) 19.382 14.378 ( -0.333 0.000 -41.874) 41.875 14.733 ( -2.902 -0.000 -3.490) 4.539 15.149 ( -3.572 -0.000 15.946) 16.341 15.844 ( -3.473 -0.000 4.462) 5.654 16.097 ( 1.721 -0.000 15.248) 15.345 16.756 ( 8.996 0.000 -3.628) 9.700 16.761 ( -0.113 -0.000 10.735) 10.735 17.551 ( -4.336 -0.000 -4.371) 6.157 19.342 ( -0.972 0.000 -29.944) 29.960 20.218 ( 4.320 0.000 2.059) 4.786 20.350 ( 19.127 0.000 2.268) 19.261 21.709 ( -32.480 -0.000 1.934) 32.537 22.375 ( 29.874 0.000 4.465) 30.206 23.097 ( 0.612 -0.000 9.289) 9.309 23.547 ( 7.139 0.000 4.285) 8.326 24.408 ( 10.809 0.000 7.725) 13.286 24.903 ( -32.397 -0.000 -18.702) 37.407 ======================= Grid point 12 (12/110) ======================= q-point: ( 0.42 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.388 ( -0.000 -3.701 -7.980) 8.797 3.408 ( 0.000 3.151 -1.778) 3.618 4.368 ( 0.000 10.917 2.722) 11.251 4.505 ( 0.000 -5.724 9.333) 10.949 4.933 ( 0.000 2.594 3.622) 4.456 5.055 ( 0.000 -4.371 12.019) 12.789 5.264 ( 0.000 -1.028 5.080) 5.183 5.340 ( 0.000 -3.300 4.052) 5.226 5.599 ( 0.000 6.946 -3.389) 7.729 5.636 ( -0.000 -9.064 6.859) 11.367 6.123 ( -0.000 0.391 -9.080) 9.088 6.316 ( -0.000 -9.389 5.686) 10.976 6.839 ( 0.000 8.070 -5.321) 9.666 6.883 ( 0.000 0.352 2.107) 2.136 7.236 ( -0.000 -2.224 0.274) 2.240 7.399 ( 0.000 2.444 -0.631) 2.524 7.553 ( -0.000 -8.112 -4.232) 9.149 8.031 ( 0.000 28.647 16.306) 32.963 8.132 ( -0.000 -2.225 -4.991) 5.464 8.997 ( -0.000 -23.828 -1.893) 23.903 9.153 ( -0.000 -0.139 -0.185) 0.231 9.594 ( 0.000 9.195 10.854) 14.226 9.638 ( 0.000 -1.160 3.733) 3.909 10.504 ( -0.000 1.384 -3.800) 4.045 10.580 ( 0.000 3.443 14.417) 14.822 10.825 ( 0.000 26.790 15.054) 30.730 10.830 ( -0.000 0.947 -5.872) 5.947 11.188 ( 0.000 7.459 6.089) 9.629 11.271 ( -0.000 -12.136 5.512) 13.329 11.437 ( 0.000 3.727 -1.377) 3.973 11.668 ( 0.000 -7.035 8.288) 10.871 11.674 ( -0.000 -23.692 -7.196) 24.761 11.964 ( -0.000 -5.354 1.856) 5.666 12.537 ( -0.000 12.680 -26.126) 29.041 12.563 ( -0.000 -1.289 -7.769) 7.875 12.968 ( -0.000 -17.955 -24.672) 30.514 13.109 ( 0.000 -6.301 6.749) 9.233 13.628 ( 0.000 13.014 -4.700) 13.837 14.220 ( 0.000 2.611 12.229) 12.504 15.235 ( -0.000 -3.697 -9.454) 10.152 16.861 ( 0.000 9.133 25.769) 27.340 17.419 ( 0.000 5.066 15.173) 15.996 18.005 ( 0.000 0.766 20.091) 20.106 18.118 ( -0.000 5.743 -9.362) 10.983 18.506 ( 0.000 29.132 18.854) 34.701 19.097 ( -0.000 -26.250 20.645) 33.396 19.724 ( -0.000 11.676 -24.532) 27.169 20.062 ( -0.000 -14.046 -21.452) 25.641 21.639 ( 0.000 3.994 0.306) 4.006 22.402 ( -0.000 -4.609 -8.086) 9.307 23.219 ( 0.000 0.401 3.704) 3.726 23.285 ( -0.000 -3.573 -2.754) 4.511 23.822 ( -0.000 -2.256 -0.053) 2.256 24.371 ( -0.000 1.170 -4.200) 4.360 ======================= Grid point 13 (13/110) ======================= q-point: ( 0.42 -0.02 -0.64) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.989 ( 4.778 -6.446 10.805) 13.459 3.501 ( 0.841 -3.100 -13.840) 14.207 4.283 ( -13.525 -7.409 18.266) 23.906 4.439 ( -4.120 -4.521 6.010) 8.575 4.749 ( 6.076 -1.598 8.575) 10.630 5.088 ( 7.281 -1.872 3.767) 8.409 5.262 ( 2.756 1.355 -6.843) 7.501 5.482 ( 11.507 5.807 3.905) 13.468 5.654 ( -7.124 -0.020 -6.255) 9.481 5.881 ( -6.094 5.193 -4.047) 8.971 6.291 ( 3.622 4.908 0.453) 6.117 6.564 ( 5.173 4.643 6.763) 9.698 6.598 ( -2.126 1.641 -6.276) 6.827 6.847 ( 5.255 1.984 -0.689) 5.659 7.236 ( -18.228 10.786 -0.130) 21.180 7.417 ( -14.395 1.616 -4.550) 15.184 7.983 ( 3.903 1.531 4.865) 6.422 8.168 ( 3.399 -1.420 -4.053) 5.477 8.631 ( 6.053 1.956 -0.671) 6.397 8.845 ( -2.821 -3.371 -2.232) 4.930 9.010 ( -1.177 -4.557 5.742) 7.424 9.125 ( -6.970 -6.234 6.146) 11.190 9.533 ( 2.188 -16.699 19.204) 25.543 9.857 ( 0.429 -11.978 10.585) 15.991 10.093 ( 10.455 -8.162 2.776) 13.551 10.395 ( 15.031 -6.449 15.226) 22.347 10.589 ( -0.034 -10.286 1.957) 10.470 11.011 ( -5.205 9.921 -7.387) 13.420 11.316 ( 1.450 -4.881 2.478) 5.662 11.402 ( 1.198 1.551 10.156) 10.343 11.664 ( -6.972 3.188 0.146) 7.668 11.967 ( -5.924 -1.070 1.823) 6.290 12.260 ( 5.689 -3.643 -6.414) 9.315 12.691 ( 14.423 4.161 6.162) 16.227 13.039 ( -0.801 18.717 0.685) 18.747 13.170 ( 3.338 14.491 -26.565) 30.444 13.675 ( -7.363 21.903 -18.121) 29.366 13.996 ( -15.105 7.780 -9.742) 19.586 14.520 ( -5.552 2.117 11.267) 12.738 14.925 ( 7.630 -0.654 -10.629) 13.100 16.628 ( -9.131 -14.775 21.122) 27.346 16.979 ( 4.187 -20.160 1.240) 20.627 17.120 ( 3.396 -18.463 27.285) 33.119 17.344 ( 3.568 -16.505 20.150) 26.290 17.959 ( -3.133 -13.859 -6.148) 15.482 19.044 ( 1.319 -14.946 -38.678) 41.487 19.976 ( -2.214 11.231 13.450) 17.662 20.187 ( 6.849 1.794 -2.739) 7.592 21.776 ( 18.462 -0.761 -2.251) 18.614 22.344 ( -25.897 6.575 -0.735) 26.729 23.207 ( 0.768 2.134 8.880) 9.165 23.473 ( -1.535 2.938 -2.645) 4.241 24.064 ( 17.955 4.348 4.565) 19.029 24.794 ( -13.206 12.069 -13.690) 22.527 ======================= Grid point 14 (14/110) ======================= q-point: ( 0.42 -0.02 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 4.510 5.707 12.201) 14.205 3.325 ( -8.293 10.948 -1.404) 13.806 3.818 ( -4.588 2.292 13.412) 14.359 4.342 ( 5.274 5.456 17.037) 18.650 5.003 ( 9.825 -0.264 -9.090) 13.387 5.251 ( -0.339 1.943 -13.325) 13.470 5.360 ( 6.669 -7.867 2.517) 10.616 5.529 ( -3.771 -2.787 -9.697) 10.771 5.781 ( -6.582 1.988 -1.299) 6.998 5.888 ( 11.159 0.499 1.882) 11.327 6.186 ( -15.929 2.057 14.166) 21.416 6.401 ( 2.537 -1.253 4.140) 5.015 6.708 ( -15.450 -0.237 -1.011) 15.485 6.910 ( -10.338 -3.138 -0.317) 10.808 7.113 ( 9.925 -10.297 -1.500) 14.380 7.507 ( 6.292 -3.730 0.527) 7.333 8.020 ( -2.838 -12.327 4.291) 13.358 8.200 ( 1.353 -3.560 3.144) 4.938 8.560 ( -3.920 9.047 4.564) 10.865 8.628 ( -1.248 4.719 6.640) 8.241 8.946 ( -2.343 3.102 4.531) 5.970 9.245 ( -0.886 5.192 -1.048) 5.370 9.387 ( 9.468 9.973 3.720) 14.246 9.571 ( 9.837 6.711 -4.794) 12.837 10.141 ( -10.182 7.576 -0.870) 12.721 10.395 ( 11.130 3.510 8.185) 14.254 10.720 ( 17.246 0.181 10.798) 20.348 10.995 ( -6.753 -2.534 -8.753) 11.342 11.220 ( -12.217 3.518 -7.351) 14.686 11.385 ( 0.532 -5.455 21.386) 22.078 11.575 ( 4.340 4.075 8.892) 10.701 11.905 ( 2.024 5.296 10.379) 11.826 12.459 ( 5.915 -5.578 -15.147) 17.191 13.068 ( -1.445 -7.595 -7.416) 10.713 13.228 ( -6.546 -4.238 -6.472) 10.134 13.408 ( -4.072 -5.301 -22.670) 23.635 13.625 ( 4.627 -10.615 10.708) 15.772 14.202 ( -8.316 -11.118 1.860) 14.008 14.341 ( -6.907 -8.630 -2.801) 11.403 15.218 ( 11.455 -3.267 -12.230) 17.072 15.963 ( -14.772 14.044 16.624) 26.302 16.813 ( 8.515 15.063 9.127) 19.563 16.935 ( 5.401 8.081 25.831) 27.600 17.132 ( 0.793 10.908 18.012) 21.073 17.555 ( -5.493 12.708 -10.097) 17.135 18.786 ( 0.037 11.171 -40.107) 41.634 20.142 ( -0.412 -7.074 2.861) 7.642 20.405 ( 13.114 0.624 -2.263) 13.323 21.734 ( -29.282 -0.483 0.914) 29.300 22.418 ( 30.074 -3.165 2.396) 30.335 23.266 ( 0.833 -1.279 9.448) 9.571 23.533 ( 3.401 -2.142 -3.192) 5.133 24.514 ( -17.572 -6.602 -7.101) 20.070 24.539 ( 2.285 -4.386 3.215) 5.898 ======================= Grid point 15 (15/110) ======================= q-point: (-0.47 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( 0.000 -0.454 2.937) 2.972 3.405 ( -0.000 -0.417 -2.132) 2.173 4.424 ( -0.000 -4.795 -2.929) 5.619 4.633 ( 0.000 3.297 0.937) 3.428 4.918 ( 0.000 2.144 -0.727) 2.263 5.172 ( -0.000 -0.421 0.335) 0.538 5.303 ( 0.000 -0.024 3.452) 3.452 5.368 ( 0.000 -2.009 3.412) 3.960 5.605 ( -0.000 -4.520 -5.241) 6.921 5.679 ( 0.000 5.595 3.144) 6.418 6.033 ( 0.000 5.666 -3.542) 6.682 6.397 ( 0.000 5.013 1.414) 5.209 6.724 ( -0.000 -12.367 2.750) 12.669 6.898 ( -0.000 -1.761 1.083) 2.068 7.233 ( 0.000 3.164 0.818) 3.268 7.398 ( -0.000 1.207 -1.902) 2.253 7.543 ( 0.000 11.215 -2.955) 11.598 8.093 ( 0.000 4.138 -1.250) 4.323 8.309 ( -0.000 -25.534 -11.674) 28.076 8.861 ( 0.000 20.975 11.679) 24.007 9.174 ( -0.000 -0.825 -0.740) 1.108 9.663 ( 0.000 -0.306 0.965) 1.012 9.816 ( -0.000 1.230 -9.895) 9.971 10.370 ( 0.000 1.303 7.656) 7.766 10.666 ( -0.000 -11.705 2.467) 11.962 10.693 ( -0.000 -10.909 3.045) 11.325 10.939 ( -0.000 -16.355 2.257) 16.510 11.289 ( 0.000 4.383 3.782) 5.789 11.353 ( 0.000 7.279 -4.282) 8.445 11.536 ( -0.000 6.908 -11.818) 13.689 11.698 ( -0.000 -3.920 -8.127) 9.023 11.730 ( 0.000 -10.372 16.716) 19.672 11.950 ( 0.000 8.553 6.000) 10.447 12.360 ( -0.000 15.962 -18.108) 24.139 12.400 ( 0.000 0.400 4.293) 4.311 12.635 ( 0.000 7.348 8.345) 11.119 13.103 ( -0.000 -7.521 7.176) 10.396 13.690 ( -0.000 6.470 -10.292) 12.157 14.367 ( -0.000 -0.919 -1.477) 1.740 15.101 ( 0.000 -0.636 2.909) 2.977 17.197 ( -0.000 -6.020 -5.084) 7.880 17.542 ( 0.000 -2.103 3.200) 3.829 18.022 ( -0.000 -5.384 -3.497) 6.420 18.112 ( -0.000 -7.707 6.030) 9.786 19.011 ( -0.000 -17.337 -27.990) 32.925 19.085 ( 0.000 -16.584 27.787) 32.360 19.591 ( -0.000 14.035 -17.072) 22.100 19.660 ( 0.000 16.399 17.952) 24.315 21.655 ( -0.000 -2.687 -1.200) 2.943 22.309 ( 0.000 4.632 0.818) 4.704 23.224 ( 0.000 1.289 1.682) 2.120 23.294 ( 0.000 1.891 -1.637) 2.501 23.809 ( 0.000 -0.063 1.269) 1.271 24.355 ( 0.000 3.828 -2.635) 4.647 ======================= Grid point 16 (16/110) ======================= q-point: (-0.47 -0.03 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 2.102 -3.309 12.122) 12.740 3.183 ( -1.424 -3.704 -10.613) 11.330 4.206 ( 7.916 -4.295 -19.938) 21.878 4.477 ( -14.079 -5.478 10.823) 18.583 4.897 ( -0.519 -4.648 17.755) 18.361 4.997 ( -7.197 -4.201 -11.639) 14.315 5.278 ( 9.580 2.411 11.584) 15.224 5.392 ( 2.095 -0.398 0.769) 2.267 5.774 ( 4.137 6.366 -0.773) 7.632 5.952 ( -9.404 2.110 -3.518) 10.260 6.280 ( 9.984 -3.669 1.924) 10.809 6.523 ( -5.220 4.740 -7.830) 10.537 6.754 ( 15.845 2.933 -0.232) 16.115 6.906 ( 14.772 1.182 -1.020) 14.854 7.218 ( -14.115 6.451 -12.360) 19.840 7.503 ( -21.615 5.176 1.940) 22.311 8.089 ( 2.878 9.786 -2.017) 10.398 8.216 ( -5.651 6.402 0.858) 8.582 8.598 ( 7.093 -5.940 -1.856) 9.435 8.709 ( 1.237 -5.528 0.378) 5.678 8.979 ( 6.912 1.278 -0.422) 7.042 9.178 ( -2.217 -10.737 5.696) 12.355 9.392 ( -2.654 -13.039 5.305) 14.325 9.561 ( -10.107 -13.961 -3.678) 17.624 10.068 ( 17.592 -4.777 6.576) 19.379 10.450 ( -9.007 -3.786 1.864) 9.947 10.650 ( 12.699 -0.451 18.135) 22.144 10.997 ( -14.707 4.066 -13.287) 20.233 11.187 ( 10.522 -0.950 -3.597) 11.161 11.501 ( -12.679 -4.317 -1.531) 13.481 11.975 ( 3.968 5.659 -8.149) 10.685 12.073 ( -4.516 4.972 8.824) 11.090 12.413 ( 2.225 4.426 36.290) 36.626 12.460 ( -1.741 1.790 -34.943) 35.032 12.990 ( 23.805 1.150 11.550) 26.484 13.531 ( -20.071 6.628 -13.202) 24.921 13.887 ( 2.929 17.963 10.358) 20.941 13.986 ( -6.571 13.608 -13.160) 20.038 14.615 ( 14.274 2.587 -16.815) 22.208 14.911 ( -10.624 1.656 17.437) 20.485 16.305 ( 12.414 -17.587 -16.849) 27.337 16.625 ( -13.505 -18.516 14.616) 27.182 17.238 ( 5.485 -7.897 12.905) 16.093 17.333 ( -2.595 -6.464 -9.656) 11.907 17.941 ( 1.086 -11.145 -44.143) 45.541 17.966 ( -0.851 -13.172 41.375) 43.430 20.160 ( 5.466 2.011 1.123) 5.931 20.344 ( -9.801 3.390 4.211) 11.193 21.750 ( 26.646 0.585 -0.839) 26.665 22.453 ( -30.710 4.396 -1.217) 31.047 23.415 ( 0.161 2.259 0.582) 2.338 23.438 ( -2.360 1.416 0.210) 2.760 24.303 ( 23.537 4.789 9.705) 25.906 24.739 ( -13.026 6.344 -12.368) 19.050 ======================= Grid point 17 (17/110) ======================= q-point: ( 0.53 -0.03 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.217 ( -2.452 3.997 -13.045) 13.862 3.274 ( 1.937 4.569 9.218) 10.469 4.295 ( -9.056 4.141 15.459) 18.389 4.582 ( 13.151 3.741 -8.707) 16.210 5.013 ( -1.389 5.214 -7.638) 9.352 5.079 ( 2.568 3.141 2.008) 4.527 5.240 ( -6.001 -1.720 -7.658) 9.880 5.403 ( 6.235 1.240 8.152) 10.338 5.620 ( -8.398 -6.569 -3.235) 11.143 5.850 ( 9.527 -6.928 0.256) 11.783 6.334 ( -7.339 -0.987 -3.765) 8.307 6.475 ( 1.330 -0.476 5.197) 5.385 6.688 ( -6.816 -4.928 -4.136) 9.373 6.840 ( -9.708 -1.123 0.568) 9.789 7.087 ( 9.516 -5.373 11.948) 16.191 7.377 ( 16.867 -5.372 0.767) 17.719 7.977 ( -10.786 -0.250 6.890) 12.801 8.143 ( -3.086 -4.918 -2.420) 6.290 8.588 ( -11.422 -4.781 2.047) 12.550 8.842 ( 9.413 3.509 -0.399) 10.054 9.046 ( 0.873 11.858 -0.125) 11.890 9.243 ( 15.181 0.703 -5.446) 16.144 9.771 ( -6.188 16.982 -2.072) 18.193 9.947 ( 0.289 19.427 4.066) 19.850 10.176 ( -8.817 4.965 -8.109) 12.967 10.532 ( 7.089 3.613 2.818) 8.441 10.697 ( -10.766 4.990 -11.593) 16.589 10.950 ( 10.334 2.030 -0.975) 10.576 11.191 ( -11.830 -0.021 4.666) 12.717 11.520 ( 13.532 -3.881 4.492) 14.777 11.874 ( -3.646 -3.750 -7.439) 9.094 11.964 ( 5.099 -5.448 8.540) 11.341 12.319 ( -4.007 -3.722 -21.213) 21.907 12.413 ( 3.683 -2.459 16.958) 17.527 12.951 ( -19.041 -3.050 -9.543) 21.516 13.265 ( 6.983 -19.352 5.863) 21.392 13.449 ( -5.930 -21.486 -7.130) 23.402 13.731 ( 17.787 -8.900 15.078) 24.958 14.578 ( -14.896 -0.992 11.884) 19.082 14.896 ( 11.667 0.179 -12.749) 17.283 16.725 ( -12.390 21.136 16.170) 29.355 17.043 ( 13.565 19.479 -14.303) 27.713 17.466 ( -4.351 14.199 -7.188) 16.498 17.534 ( 1.611 12.648 3.216) 13.150 18.244 ( -2.283 17.472 42.841) 46.323 18.299 ( 1.948 18.028 -39.643) 43.593 20.083 ( -4.603 -5.825 4.714) 8.794 20.225 ( 6.835 -8.523 -8.917) 14.102 21.742 ( -21.657 0.082 1.258) 21.693 22.333 ( 25.988 -6.806 0.309) 26.866 23.355 ( -0.867 -3.312 -3.924) 5.207 23.393 ( 2.523 -2.937 3.340) 5.114 24.179 ( -20.208 -6.610 -7.421) 22.519 24.567 ( 11.930 -9.613 9.912) 18.248 ======================= Grid point 18 (18/110) ======================= q-point: (-0.37 -0.03 0.03) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( -0.000 -3.952 1.172) 4.122 3.453 ( 0.000 2.666 9.471) 9.840 4.081 ( -0.000 -15.367 -9.587) 18.113 4.653 ( -0.000 5.128 -7.935) 9.448 4.856 ( -0.000 -1.452 -13.732) 13.809 5.133 ( -0.000 2.680 -3.874) 4.711 5.298 ( -0.000 3.191 -7.019) 7.710 5.379 ( 0.000 1.946 1.093) 2.232 5.546 ( 0.000 1.998 11.785) 11.954 5.905 ( 0.000 12.329 -5.238) 13.396 6.189 ( 0.000 6.622 3.326) 7.410 6.445 ( 0.000 -2.502 4.177) 4.869 6.651 ( 0.000 -2.368 4.607) 5.180 6.765 ( -0.000 -11.837 -6.395) 13.454 7.321 ( 0.000 6.188 -4.405) 7.596 7.342 ( -0.000 -9.105 -4.609) 10.205 7.550 ( -0.000 -7.991 -11.731) 14.194 7.792 ( 0.000 11.120 2.911) 11.495 8.267 ( 0.000 10.020 4.049) 10.807 9.101 ( -0.000 -5.496 -2.286) 5.953 9.376 ( 0.000 1.674 1.113) 2.011 9.491 ( 0.000 8.564 -6.691) 10.868 9.643 ( -0.000 -1.200 -3.250) 3.464 10.044 ( -0.000 -34.068 -17.393) 38.251 10.441 ( -0.000 -0.988 -5.004) 5.101 10.613 ( -0.000 -7.843 -11.514) 13.931 10.871 ( 0.000 3.744 11.695) 12.279 10.949 ( -0.000 -11.163 -6.135) 12.738 11.247 ( -0.000 -3.530 -4.088) 5.401 11.604 ( 0.000 2.747 5.373) 6.034 11.713 ( 0.000 0.531 0.749) 0.918 11.864 ( -0.000 -1.308 -1.175) 1.759 12.360 ( 0.000 22.001 14.636) 26.425 12.531 ( 0.000 12.941 -0.316) 12.944 12.644 ( 0.000 10.140 15.861) 18.825 13.067 ( -0.000 -10.457 8.419) 13.425 13.343 ( 0.000 18.631 25.047) 31.217 13.519 ( -0.000 3.403 -16.550) 16.897 14.154 ( -0.000 -3.486 -12.553) 13.029 15.294 ( 0.000 2.147 12.511) 12.694 16.573 ( -0.000 -18.458 -25.362) 31.367 17.276 ( -0.000 -7.909 -19.252) 20.814 17.763 ( -0.000 -23.198 -42.413) 48.342 17.954 ( 0.000 -10.008 11.641) 15.352 18.007 ( -0.000 -17.902 3.870) 18.316 19.385 ( 0.000 -9.855 27.070) 28.808 19.635 ( 0.000 14.549 -8.148) 16.675 20.328 ( 0.000 11.562 14.255) 18.355 21.532 ( -0.000 -6.096 -0.761) 6.144 22.539 ( 0.000 8.157 5.224) 9.686 23.221 ( -0.000 1.132 -6.977) 7.068 23.408 ( 0.000 7.565 5.845) 9.560 23.866 ( 0.000 2.010 2.480) 3.192 24.413 ( 0.000 4.828 -1.439) 5.038 ======================= Grid point 19 (19/110) ======================= q-point: (-0.37 -0.03 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.919 ( -2.998 0.000 -13.885) 14.205 3.180 ( 11.622 0.000 -8.420) 14.352 3.801 ( 0.429 0.000 -7.463) 7.475 4.284 ( -4.818 0.000 -16.780) 17.458 4.994 ( -10.600 -0.000 11.294) 15.489 5.232 ( -0.145 -0.000 16.894) 16.894 5.489 ( -7.316 -0.000 5.355) 9.067 5.544 ( 9.114 0.000 4.569) 10.196 5.690 ( -2.369 0.000 -8.328) 8.658 5.885 ( -6.543 -0.000 -1.642) 6.746 6.206 ( 21.059 0.000 -6.804) 22.131 6.431 ( -8.849 -0.000 -8.134) 12.020 6.714 ( 21.287 0.000 0.910) 21.307 6.919 ( 13.861 0.000 3.260) 14.239 7.251 ( -15.168 -0.000 2.939) 15.450 7.525 ( -11.100 -0.000 -3.387) 11.606 8.200 ( 7.195 0.000 -6.443) 9.658 8.345 ( 6.736 0.000 -5.727) 8.842 8.468 ( -5.244 -0.000 -8.521) 10.005 8.481 ( -8.583 -0.000 -0.316) 8.589 8.879 ( 3.969 0.000 -5.899) 7.110 9.059 ( 9.110 0.000 1.365) 9.212 9.433 ( -9.156 -0.000 1.945) 9.361 9.456 ( -10.360 -0.000 9.002) 13.724 10.055 ( 12.362 0.000 0.325) 12.366 10.350 ( -15.283 -0.000 -11.527) 19.142 10.719 ( -20.490 -0.000 -13.639) 24.615 11.078 ( 13.565 0.000 21.836) 25.707 11.134 ( 9.386 0.000 -2.751) 9.781 11.458 ( -9.051 -0.000 1.615) 9.194 11.533 ( 2.217 0.000 -37.527) 37.593 11.826 ( 1.284 0.000 -11.579) 11.650 12.530 ( -5.486 -0.000 16.663) 17.543 13.176 ( -15.060 -0.000 0.688) 15.076 13.237 ( 27.641 0.000 12.173) 30.203 13.464 ( -1.819 -0.000 29.286) 29.343 13.752 ( -4.548 0.000 -16.713) 17.321 14.275 ( 12.829 0.000 -18.862) 22.811 14.491 ( 2.777 -0.000 18.760) 18.965 15.263 ( -10.758 -0.000 9.161) 14.130 15.822 ( 13.978 0.000 -9.083) 16.670 16.629 ( -10.747 -0.000 9.412) 14.286 16.829 ( -3.018 0.000 -42.974) 43.080 17.041 ( -0.422 0.000 -20.356) 20.360 17.406 ( 4.858 0.000 10.597) 11.658 18.663 ( 0.728 -0.000 40.498) 40.505 20.224 ( 1.786 0.000 1.207) 2.156 20.387 ( -16.065 -0.000 -1.078) 16.101 21.740 ( 31.365 0.000 -1.220) 31.389 22.452 ( -31.622 -0.000 -3.409) 31.805 23.280 ( -0.466 0.000 -9.447) 9.458 23.555 ( -4.009 -0.000 2.888) 4.940 24.581 ( -12.035 -0.000 -10.353) 15.876 24.591 ( 28.047 0.000 14.124) 31.402 ======================= Grid point 20 (20/110) ======================= q-point: (-0.37 -0.03 0.70) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.146 ( -4.673 8.061 -5.518) 10.829 3.529 ( 0.555 -0.757 11.171) 11.211 4.382 ( 7.959 2.198 -13.645) 15.949 4.508 ( -3.978 2.815 0.207) 4.877 4.828 ( 4.911 5.235 -14.256) 15.961 5.102 ( -3.546 0.034 -5.827) 6.821 5.213 ( -2.783 -3.639 0.576) 4.617 5.374 ( -8.032 -2.515 -4.556) 9.570 5.590 ( 4.246 -5.380 -1.851) 7.099 5.831 ( -0.530 -1.794 10.851) 11.011 6.171 ( 0.441 -4.436 -3.631) 5.749 6.454 ( 2.814 -6.013 -2.154) 6.979 6.584 ( -5.869 0.548 6.131) 8.505 6.890 ( 0.434 3.492 -4.340) 5.588 7.011 ( 7.623 -7.631 1.176) 10.850 7.444 ( 15.044 2.860 5.203) 16.173 7.889 ( -8.238 -7.179 -2.211) 11.149 8.197 ( -1.838 -2.494 7.588) 8.196 8.557 ( -12.098 -2.993 2.869) 12.789 8.838 ( 15.150 -0.954 -3.917) 15.677 9.079 ( -0.442 5.169 -9.415) 10.750 9.325 ( 3.073 5.812 -3.111) 7.273 9.880 ( 6.286 12.392 -12.094) 18.421 10.134 ( -9.596 6.215 -6.903) 13.355 10.222 ( -3.664 17.400 -14.533) 22.965 10.503 ( -2.096 4.416 -11.093) 12.122 10.772 ( -5.747 5.873 5.123) 9.683 10.920 ( -7.391 4.670 -5.100) 10.121 11.322 ( 5.271 -4.073 0.746) 6.703 11.474 ( 1.786 3.518 -13.046) 13.629 11.613 ( 2.800 -0.485 6.981) 7.538 11.952 ( 1.652 -1.822 -1.251) 2.759 12.374 ( -2.819 0.660 9.040) 9.492 12.489 ( -4.388 -11.969 11.973) 17.489 12.662 ( 3.050 -16.700 4.264) 17.503 12.953 ( -11.108 -2.537 -7.287) 13.525 13.247 ( 1.041 -17.742 26.990) 32.316 13.869 ( 17.933 -6.217 11.004) 21.939 14.471 ( -2.113 -2.435 -11.148) 11.605 14.967 ( -0.537 3.018 9.026) 9.532 16.869 ( 2.922 8.505 -26.008) 27.519 17.349 ( -0.699 14.386 -3.328) 14.782 17.495 ( -1.696 16.397 -17.945) 24.367 17.800 ( -2.500 26.861 -22.257) 34.973 18.189 ( 2.617 8.646 0.738) 9.063 19.349 ( -1.508 11.373 29.799) 31.931 19.672 ( 1.638 -15.327 -13.452) 20.458 20.125 ( -5.225 -4.986 10.037) 12.366 21.800 ( -14.018 1.264 2.548) 14.303 22.217 ( 19.663 -5.045 2.822) 20.495 23.178 ( -0.894 -0.481 -6.402) 6.482 23.395 ( 1.607 -4.527 2.660) 5.491 23.985 ( -14.462 -2.914 -2.302) 14.931 24.547 ( 11.195 -11.194 11.150) 19.364 ======================= Grid point 21 (21/110) ======================= q-point: (-0.26 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.114 ( -0.000 -18.018 -11.773) 21.524 3.203 ( -0.000 -19.501 -24.847) 31.586 3.908 ( 0.000 -1.688 15.827) 15.917 4.280 ( -0.000 -4.490 -7.877) 9.067 4.986 ( 0.000 21.919 -4.190) 22.316 5.057 ( -0.000 -11.870 -13.204) 17.755 5.310 ( 0.000 7.197 -4.498) 8.487 5.387 ( -0.000 -7.333 -28.625) 29.550 5.632 ( 0.000 5.874 4.080) 7.152 5.884 ( 0.000 8.430 10.300) 13.310 6.295 ( 0.000 4.083 -3.570) 5.423 6.498 ( 0.000 6.720 -3.284) 7.479 6.511 ( 0.000 -5.520 10.891) 12.210 6.759 ( 0.000 2.191 5.513) 5.933 7.177 ( 0.000 1.030 5.085) 5.189 7.296 ( -0.000 1.823 -6.110) 6.376 7.604 ( 0.000 11.609 -0.699) 11.630 8.022 ( 0.000 4.306 0.418) 4.326 8.510 ( -0.000 -3.204 -5.659) 6.503 8.698 ( -0.000 -13.632 -11.232) 17.663 8.895 ( -0.000 -11.869 -21.823) 24.842 9.332 ( -0.000 0.222 -0.510) 0.557 9.556 ( -0.000 -1.432 -7.454) 7.591 9.771 ( 0.000 4.092 5.981) 7.247 10.278 ( -0.000 -11.687 -1.933) 11.846 10.309 ( -0.000 5.359 -15.496) 16.396 10.640 ( -0.000 -10.784 -5.680) 12.189 10.761 ( -0.000 1.192 -11.880) 11.940 11.351 ( -0.000 -12.867 4.227) 13.544 11.490 ( 0.000 -1.813 9.242) 9.419 11.709 ( -0.000 -5.434 -3.170) 6.291 12.016 ( 0.000 3.615 6.359) 7.315 12.762 ( 0.000 7.369 2.293) 7.718 12.765 ( 0.000 7.250 6.204) 9.542 13.021 ( 0.000 -8.568 8.754) 12.249 13.317 ( -0.000 7.417 -11.342) 13.551 13.570 ( 0.000 14.420 10.218) 17.673 13.938 ( 0.000 14.598 5.624) 15.643 14.218 ( 0.000 15.930 26.276) 30.727 15.595 ( 0.000 3.455 11.854) 12.347 15.645 ( -0.000 -20.400 -26.166) 33.178 16.418 ( -0.000 -22.432 -41.284) 46.985 16.739 ( -0.000 -4.319 -20.357) 20.810 17.693 ( -0.000 -19.648 0.778) 19.663 17.894 ( -0.000 -12.252 5.573) 13.460 19.587 ( 0.000 3.082 3.095) 4.368 19.933 ( 0.000 4.256 16.309) 16.855 20.668 ( 0.000 3.820 5.790) 6.937 21.391 ( -0.000 -7.923 0.965) 7.982 22.729 ( 0.000 3.549 0.718) 3.621 23.068 ( -0.000 1.144 -10.580) 10.641 23.752 ( 0.000 9.663 9.712) 13.701 23.980 ( 0.000 3.396 3.380) 4.792 24.459 ( 0.000 2.291 -2.233) 3.200 ======================= Grid point 22 (22/110) ======================= q-point: (-0.26 -0.04 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( -3.957 11.018 -25.177) 27.766 3.006 ( 19.516 20.813 -27.047) 39.314 3.904 ( -3.267 -1.835 14.646) 15.117 4.112 ( -4.527 4.169 -4.973) 7.912 5.030 ( 21.195 8.558 -21.141) 31.135 5.217 ( -3.816 -9.028 -6.327) 11.666 5.312 ( -11.500 -9.342 -5.342) 15.750 5.525 ( 3.238 5.302 -5.284) 8.156 5.829 ( -11.881 -1.560 0.007) 11.983 5.924 ( -0.906 -5.043 12.454) 13.467 6.074 ( -6.962 -3.220 2.658) 8.118 6.399 ( 6.484 1.781 5.093) 8.436 6.766 ( 8.107 -2.955 -0.407) 8.638 6.920 ( 3.736 -6.115 3.771) 8.098 7.221 ( -1.876 -9.284 8.077) 12.448 7.490 ( 5.992 -1.344 -1.808) 6.402 7.905 ( 2.215 -1.160 -11.490) 11.759 8.082 ( 0.620 -4.894 -8.700) 10.001 8.337 ( 4.121 5.308 -11.936) 13.698 8.558 ( 2.230 6.117 -3.520) 7.402 8.829 ( -1.935 1.289 -5.573) 6.039 9.203 ( -1.302 8.622 -6.457) 10.850 9.370 ( -8.783 -5.836 2.572) 10.854 9.664 ( -11.444 3.296 2.887) 12.254 10.053 ( -7.025 5.863 -9.685) 13.324 10.242 ( 0.912 11.587 -4.115) 12.330 10.510 ( -8.894 1.014 -12.478) 15.357 10.800 ( -5.202 4.421 -18.452) 19.675 11.114 ( 5.590 -5.757 0.218) 8.027 11.484 ( 3.012 3.867 4.886) 6.921 11.615 ( 3.258 2.703 9.190) 10.118 11.783 ( -2.564 10.790 -1.950) 11.261 12.734 ( -8.503 -7.698 11.963) 16.573 12.945 ( -9.117 -6.615 -5.779) 12.660 13.249 ( -4.628 -9.141 -7.112) 12.472 13.463 ( 24.344 -1.673 4.235) 24.766 13.880 ( 13.662 0.197 -11.566) 17.901 14.287 ( 1.199 -8.973 38.089) 39.150 14.588 ( 2.272 -15.110 11.617) 19.194 15.237 ( -2.477 6.400 -11.521) 13.410 15.809 ( 7.960 -1.201 -0.611) 8.073 16.083 ( -1.006 7.143 -33.832) 34.592 16.689 ( -2.657 -0.724 -14.807) 15.061 17.105 ( -7.766 21.749 3.837) 23.411 17.713 ( 4.891 13.245 5.547) 15.170 19.456 ( 0.566 9.527 28.216) 29.786 20.065 ( -6.362 -11.045 -3.886) 13.325 20.435 ( -14.842 4.512 1.017) 15.546 21.714 ( 30.038 0.517 -1.096) 30.062 22.365 ( -28.761 -0.886 -3.045) 28.935 23.078 ( -0.854 -1.540 -9.906) 10.062 23.541 ( -6.210 -0.690 -2.552) 6.749 24.383 ( -10.385 -2.365 -6.378) 12.415 24.809 ( 31.115 -8.444 17.105) 36.497 ======================= Grid point 23 (23/110) ======================= q-point: (-0.26 -0.04 0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.307 ( 0.015 9.201 -1.081) 9.264 3.570 ( -1.580 -4.728 1.506) 5.207 4.277 ( -1.530 6.828 -4.338) 8.233 4.530 ( -2.466 4.362 -4.720) 6.884 4.731 ( 4.989 -3.253 -8.494) 10.374 4.846 ( -1.381 -1.843 -13.302) 13.499 4.984 ( 0.248 0.085 -8.631) 8.635 5.209 ( 3.046 -7.634 -8.966) 12.163 5.522 ( -5.746 0.978 -0.501) 5.850 5.864 ( -3.154 -4.575 1.871) 5.863 6.024 ( -1.076 -0.856 -4.040) 4.267 6.394 ( 6.532 -7.675 3.947) 10.824 6.680 ( -1.654 2.254 3.603) 4.561 6.764 ( 11.204 1.687 -5.997) 12.819 7.077 ( -6.308 5.582 0.450) 8.435 7.524 ( 14.251 -4.449 2.479) 15.133 7.794 ( -14.398 -0.379 -2.385) 14.599 8.206 ( 5.152 -7.870 6.230) 11.283 8.432 ( -9.669 -2.991 -6.525) 12.042 8.711 ( 5.700 -3.115 -1.930) 6.776 9.060 ( 8.283 6.231 -4.479) 11.291 9.302 ( -8.666 1.459 -4.143) 9.715 9.729 ( -1.213 -5.094 -15.899) 16.739 9.983 ( 5.003 10.135 -20.826) 23.695 10.338 ( -4.210 22.126 -20.726) 30.608 10.638 ( 2.159 16.223 -3.885) 16.821 10.834 ( -1.549 -11.107 -15.376) 19.031 10.940 ( -3.964 6.855 -2.444) 8.288 11.231 ( 5.325 -10.730 6.385) 13.574 11.321 ( -5.751 6.612 10.744) 13.865 11.611 ( -0.477 -1.477 6.666) 6.845 11.985 ( -3.976 1.405 1.985) 4.661 12.281 ( 3.047 -27.714 16.762) 32.531 12.564 ( 1.500 1.963 3.938) 4.649 12.777 ( -3.751 3.112 -5.144) 7.086 13.084 ( -1.802 18.323 23.525) 29.873 13.503 ( 0.152 -16.747 29.826) 34.207 13.824 ( 8.624 -4.912 -3.741) 10.606 14.261 ( -1.190 -6.246 -0.248) 6.363 15.196 ( 1.458 4.505 6.297) 7.878 16.388 ( 0.303 1.054 -32.431) 32.450 17.257 ( -7.243 4.536 -22.378) 23.954 17.412 ( 8.345 9.374 -18.205) 22.112 17.970 ( -2.928 25.060 -19.425) 31.842 18.351 ( 0.580 2.308 -0.218) 2.390 18.683 ( 0.238 -27.347 -22.535) 35.437 20.166 ( 1.374 4.761 13.709) 14.577 20.341 ( -4.720 2.121 21.959) 22.560 21.847 ( -11.385 -0.985 2.189) 11.635 22.274 ( 16.925 0.680 5.870) 17.927 23.102 ( 0.173 2.351 -6.443) 6.861 23.357 ( 1.110 -3.083 4.896) 5.891 23.982 ( -13.316 2.217 3.091) 13.849 24.554 ( 8.955 -9.039 11.470) 17.131 ======================= Grid point 24 (24/110) ======================= q-point: (-0.16 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -0.000 -29.980 -34.053) 45.370 2.139 ( -0.000 -24.476 -36.586) 44.019 3.440 ( -0.000 -29.122 -60.463) 67.111 4.332 ( 0.000 -0.643 11.248) 11.266 4.368 ( 0.000 -0.624 15.124) 15.137 5.218 ( 0.000 6.973 -5.184) 8.689 5.269 ( 0.000 10.150 -8.645) 13.332 5.589 ( 0.000 24.907 -3.281) 25.123 6.016 ( 0.000 11.932 6.997) 13.833 6.241 ( 0.000 5.455 9.969) 11.364 6.292 ( 0.000 6.814 -6.294) 9.276 6.564 ( 0.000 0.995 1.602) 1.886 6.617 ( 0.000 -3.632 11.086) 11.666 6.863 ( -0.000 -7.830 7.159) 10.609 7.208 ( -0.000 1.846 -5.153) 5.474 7.506 ( 0.000 18.646 4.573) 19.199 7.510 ( -0.000 -12.875 -25.184) 28.284 7.884 ( 0.000 13.864 0.615) 13.878 8.170 ( -0.000 0.438 -9.300) 9.310 8.293 ( -0.000 -5.847 -8.691) 10.475 8.954 ( 0.000 7.073 -0.131) 7.074 9.224 ( -0.000 -12.835 3.169) 13.220 9.410 ( -0.000 0.898 -5.418) 5.492 9.842 ( -0.000 -3.159 -1.662) 3.569 10.049 ( -0.000 -1.262 -10.181) 10.259 10.065 ( -0.000 -5.318 -3.517) 6.376 10.294 ( -0.000 -12.981 -0.923) 13.014 10.647 ( -0.000 0.650 -7.872) 7.899 11.132 ( -0.000 -0.579 -2.192) 2.267 11.587 ( -0.000 -2.448 -0.826) 2.584 11.595 ( -0.000 -5.263 1.305) 5.423 11.881 ( -0.000 -17.886 0.999) 17.913 12.923 ( 0.000 9.177 -2.332) 9.468 13.003 ( 0.000 7.263 2.986) 7.853 13.113 ( 0.000 4.703 4.074) 6.222 13.416 ( -0.000 -3.668 -10.213) 10.852 13.431 ( 0.000 0.604 8.108) 8.130 14.517 ( -0.000 2.416 -9.575) 9.875 14.861 ( -0.000 -13.348 -16.379) 21.129 15.058 ( 0.000 10.777 31.278) 33.083 15.503 ( -0.000 2.381 -8.569) 8.893 16.051 ( 0.000 13.822 10.993) 17.660 16.389 ( -0.000 6.096 -16.877) 17.945 17.225 ( -0.000 -22.709 -3.646) 23.000 17.696 ( -0.000 -12.638 1.452) 12.721 19.716 ( 0.000 9.917 -1.938) 10.104 20.311 ( 0.000 -2.067 17.931) 18.050 20.751 ( 0.000 -0.234 0.330) 0.404 21.229 ( -0.000 -11.143 2.204) 11.359 22.716 ( -0.000 -0.333 -4.248) 4.261 22.907 ( -0.000 3.036 -9.640) 10.107 24.096 ( 0.000 4.865 8.683) 9.953 24.121 ( 0.000 3.448 3.500) 4.913 24.413 ( -0.000 -1.185 -3.389) 3.590 ======================= Grid point 25 (25/110) ======================= q-point: (-0.16 -0.04 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -8.492 28.809 -24.764) 38.927 2.946 ( 19.399 23.003 -26.890) 40.355 4.155 ( -9.244 -1.066 0.991) 9.357 4.214 ( -1.553 1.161 15.268) 15.391 4.789 ( -6.878 -13.509 -4.865) 15.921 4.899 ( 24.870 22.296 -25.722) 42.158 5.024 ( 2.182 -3.779 -9.464) 10.422 5.272 ( 3.143 -8.447 -12.335) 15.277 5.579 ( -6.407 -10.411 -1.343) 12.298 6.097 ( 0.186 -7.355 5.433) 9.146 6.153 ( -3.904 0.716 0.237) 3.976 6.404 ( 0.063 -6.306 3.337) 7.135 6.671 ( -0.006 -5.936 2.923) 6.616 6.854 ( -2.723 -10.510 4.756) 11.853 7.127 ( -1.238 -5.329 2.129) 5.871 7.368 ( 6.024 -4.499 -4.628) 8.829 7.862 ( 7.915 3.312 -0.397) 8.589 7.949 ( 0.861 19.602 -18.391) 26.893 8.151 ( 5.599 -0.834 -11.563) 12.874 8.610 ( 7.302 4.419 -8.890) 12.324 8.761 ( -2.061 1.253 2.096) 3.196 9.071 ( -6.245 -4.927 -2.562) 8.357 9.394 ( -14.578 6.488 -1.266) 16.007 9.603 ( -11.714 -0.562 -8.979) 14.770 10.042 ( 0.677 0.106 -5.262) 5.307 10.255 ( -1.886 2.403 -3.470) 4.623 10.535 ( -5.973 12.137 -2.704) 13.794 10.708 ( -0.379 4.791 -10.776) 11.799 11.094 ( -1.592 2.693 -1.996) 3.711 11.574 ( -0.851 3.278 0.175) 3.391 11.795 ( 3.789 2.231 6.311) 7.692 12.025 ( -1.434 6.271 1.801) 6.680 12.684 ( -7.843 -4.382 1.326) 9.082 12.918 ( -1.572 4.715 12.161) 13.138 13.149 ( -7.580 -5.825 9.198) 13.266 13.413 ( 8.569 -0.706 -6.370) 10.701 13.793 ( 22.301 -0.134 3.176) 22.526 14.221 ( 4.068 -28.197 8.929) 29.856 14.790 ( 1.860 -13.782 24.780) 28.416 15.174 ( -1.445 11.080 -14.260) 18.116 15.681 ( 0.482 17.380 -16.089) 23.689 15.885 ( 1.148 -3.373 -4.867) 6.032 16.443 ( 5.023 7.720 -13.457) 16.307 17.469 ( -10.078 12.757 -6.622) 17.554 18.028 ( 5.412 10.576 -1.519) 11.977 19.348 ( -2.575 -20.891 -17.481) 27.361 20.266 ( -6.628 4.023 15.690) 17.501 20.649 ( -10.075 8.058 12.156) 17.726 21.756 ( 22.531 3.226 1.802) 22.832 22.332 ( -25.182 1.738 -2.263) 25.343 22.855 ( -0.071 -0.044 -10.070) 10.071 23.509 ( -7.665 2.120 -0.551) 7.972 24.288 ( -8.718 0.202 -0.347) 8.727 24.893 ( 30.613 -14.359 16.241) 37.511 ======================= Grid point 26 (26/110) ======================= q-point: (-0.16 -0.04 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( 3.295 -0.294 -7.134) 7.863 3.600 ( 0.393 -4.175 -2.822) 5.055 4.266 ( 7.805 -13.377 -11.780) 19.459 4.313 ( -3.824 -2.307 -9.210) 10.235 4.499 ( -0.282 5.896 -5.136) 7.825 4.636 ( -3.539 0.814 -0.476) 3.662 4.900 ( -1.379 8.134 -13.029) 15.421 5.074 ( 7.550 8.986 -2.750) 12.055 5.452 ( -13.177 -3.026 -1.516) 13.605 5.863 ( -8.121 4.642 -1.421) 9.462 6.059 ( 8.977 4.952 -0.288) 10.257 6.309 ( 1.414 -2.679 0.578) 3.084 6.567 ( 2.907 -5.319 -6.202) 8.672 6.901 ( 8.604 5.306 -0.440) 10.118 7.112 ( -12.950 -0.787 -1.484) 13.058 7.357 ( 8.804 -9.722 -1.477) 13.198 7.720 ( -10.656 2.745 -0.639) 11.023 8.088 ( -6.845 -6.492 -2.114) 9.668 8.442 ( -4.623 2.159 3.212) 6.029 8.610 ( 8.285 -0.054 -6.351) 10.439 9.101 ( 7.094 -2.639 -8.599) 11.456 9.230 ( -5.090 -2.656 -15.182) 16.231 9.346 ( -1.498 9.807 -7.153) 12.230 9.526 ( 3.042 -9.051 -17.766) 20.170 10.177 ( 2.197 5.519 -13.476) 14.727 10.450 ( 2.107 -5.578 -8.744) 10.584 10.730 ( -0.544 -8.407 3.362) 9.071 11.013 ( 2.301 -1.889 2.162) 3.680 11.242 ( 1.051 -11.725 1.716) 11.897 11.593 ( 0.759 10.358 8.151) 13.203 11.848 ( 2.306 5.088 4.138) 6.952 12.072 ( -1.741 -8.191 6.029) 10.318 12.341 ( -5.936 22.365 6.195) 23.955 12.734 ( 4.032 5.497 6.056) 9.119 12.894 ( 0.356 4.951 11.455) 12.484 13.547 ( 2.751 -7.349 -0.693) 7.877 13.614 ( 2.185 -15.868 12.275) 20.181 14.000 ( -2.850 16.612 22.476) 28.094 14.205 ( -10.095 -5.109 10.544) 15.466 15.368 ( 8.724 4.258 -0.067) 9.708 15.744 ( -2.129 -2.053 -29.656) 29.803 16.842 ( -8.297 -8.640 -16.729) 20.575 16.956 ( -0.027 -22.471 -16.844) 28.084 17.788 ( 9.175 -9.036 -17.410) 21.655 18.117 ( -1.803 22.215 -19.880) 29.866 18.357 ( -1.285 7.093 -10.288) 12.562 20.355 ( 3.358 -0.122 6.545) 7.357 20.804 ( -2.467 0.512 18.619) 18.789 21.866 ( -12.772 -1.785 2.941) 13.227 22.371 ( 19.433 0.105 1.662) 19.505 22.947 ( 0.173 -2.152 -8.480) 8.751 23.485 ( 3.870 1.564 6.625) 7.830 24.194 ( -12.250 6.084 8.603) 16.158 24.612 ( 1.382 -4.137 9.234) 10.213 ======================= Grid point 27 (27/110) ======================= q-point: (-0.05 -0.05 0.05) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -0.000 0.000 -44.546) 44.546 0.963 ( -0.000 0.000 -49.323) 49.323 1.650 ( -0.000 0.000 -83.435) 83.435 4.523 ( 0.000 -0.000 8.128) 8.128 4.667 ( 0.000 -0.000 12.186) 12.186 5.216 ( -0.000 0.000 -2.427) 2.427 5.288 ( -0.000 0.000 -3.850) 3.850 5.802 ( -0.000 0.000 -5.241) 5.241 6.176 ( -0.000 0.000 -1.943) 1.943 6.362 ( -0.000 0.000 -0.860) 0.860 6.447 ( -0.000 0.000 -2.344) 2.344 6.658 ( 0.000 -0.000 9.204) 9.204 6.725 ( -0.000 0.000 -1.136) 1.136 6.832 ( 0.000 -0.000 2.000) 2.000 7.184 ( 0.000 -0.000 9.579) 9.579 7.224 ( -0.000 0.000 -0.549) 0.549 7.908 ( 0.000 -0.000 3.895) 3.895 7.910 ( -0.000 0.000 -15.260) 15.260 8.005 ( -0.000 0.000 -2.496) 2.496 8.167 ( -0.000 0.000 -4.974) 4.974 8.997 ( -0.000 0.000 -1.818) 1.818 9.176 ( 0.000 -0.000 11.357) 11.357 9.349 ( -0.000 0.000 -3.821) 3.821 9.686 ( -0.000 0.000 -2.859) 2.859 9.902 ( 0.000 -0.000 0.019) 0.019 9.903 ( -0.000 0.000 -3.770) 3.770 10.219 ( 0.000 -0.000 4.691) 4.691 10.435 ( -0.000 0.000 -12.848) 12.848 11.155 ( -0.000 0.000 -3.239) 3.239 11.408 ( 0.000 -0.000 0.780) 0.780 11.559 ( -0.000 0.000 -0.031) 0.031 11.629 ( -0.000 0.000 -4.994) 4.994 13.018 ( -0.000 0.000 -2.207) 2.207 13.169 ( 0.000 -0.000 2.630) 2.630 13.170 ( -0.000 0.000 -7.631) 7.631 13.236 ( -0.000 0.000 -0.756) 0.756 13.527 ( 0.000 -0.000 8.038) 8.038 14.071 ( -0.000 0.000 -18.219) 18.219 14.509 ( -0.000 0.000 -5.180) 5.180 15.575 ( 0.000 -0.000 2.271) 2.271 15.811 ( 0.000 -0.000 29.989) 29.989 16.343 ( -0.000 0.000 -6.133) 6.133 16.581 ( 0.000 -0.000 8.998) 8.998 16.693 ( -0.000 0.000 -12.527) 12.527 17.468 ( -0.000 0.000 -2.984) 2.984 20.048 ( 0.000 -0.000 8.082) 8.082 20.319 ( 0.000 -0.000 0.232) 0.232 20.727 ( -0.000 0.000 -1.096) 1.096 21.069 ( -0.000 0.000 -0.024) 0.024 22.632 ( -0.000 0.000 -2.993) 2.993 22.844 ( -0.000 0.000 -3.681) 3.681 24.231 ( 0.000 -0.000 2.752) 2.752 24.233 ( 0.000 -0.000 2.754) 2.754 24.319 ( -0.000 0.000 -2.843) 2.843 ======================= Grid point 28 (28/110) ======================= q-point: (-0.05 -0.05 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.838 ( -12.486 29.935 -10.809) 34.188 3.036 ( 13.427 29.270 -17.726) 36.759 3.844 ( -16.122 -15.548 -6.584) 23.346 4.402 ( -3.702 -3.516 2.857) 5.851 4.693 ( -0.790 -7.508 3.193) 8.197 4.751 ( 2.984 -2.650 5.172) 6.533 4.866 ( 2.569 -9.263 -9.365) 13.420 5.067 ( 15.327 6.668 -9.615) 19.283 5.318 ( 9.273 1.709 -8.531) 12.716 5.967 ( 4.165 -7.843 0.343) 8.888 6.090 ( 0.281 3.518 -2.744) 4.470 6.259 ( 10.006 -9.999 1.679) 14.245 6.560 ( -10.265 -8.758 1.935) 13.631 6.892 ( -2.705 0.320 2.196) 3.498 7.068 ( -0.153 -1.163 -3.880) 4.053 7.214 ( -5.757 5.562 -2.911) 8.518 7.840 ( 6.910 -3.107 -2.864) 8.100 7.966 ( -0.516 -1.030 -2.176) 2.462 8.152 ( 3.936 19.746 -7.822) 21.601 8.514 ( 6.714 2.099 -8.815) 11.277 8.721 ( 1.786 -5.310 0.764) 5.654 9.001 ( -2.576 5.412 -9.161) 10.948 9.422 ( -14.870 -5.123 -2.067) 15.863 9.514 ( 0.157 -4.618 4.090) 6.171 9.954 ( -2.637 6.154 -10.639) 12.571 10.215 ( -8.965 2.783 -0.923) 9.432 10.614 ( -1.903 10.304 1.902) 10.650 10.854 ( -5.436 13.039 -1.384) 14.195 11.063 ( 4.995 0.667 -3.154) 5.945 11.729 ( -4.862 6.251 3.109) 8.508 11.947 ( 1.828 -0.458 3.082) 3.613 12.088 ( 6.511 1.548 3.688) 7.641 12.677 ( -0.696 -2.534 0.277) 2.643 13.054 ( 2.067 -6.512 -4.810) 8.356 13.328 ( -3.845 -5.765 10.546) 12.619 13.521 ( -5.071 4.646 12.537) 14.299 13.636 ( 0.696 -17.583 8.029) 19.342 14.055 ( 17.593 9.008 1.845) 19.851 14.866 ( 2.211 -11.653 12.503) 17.234 15.067 ( 0.398 5.695 -14.746) 15.812 15.590 ( -7.790 -10.201 -6.133) 14.225 16.039 ( -0.576 26.669 -0.511) 26.680 16.486 ( 13.336 11.282 -6.057) 18.488 17.412 ( -11.295 3.489 -12.580) 17.263 18.074 ( 4.008 1.630 -5.097) 6.686 18.466 ( -0.607 -28.600 -17.072) 33.313 20.441 ( -8.788 0.315 2.782) 9.223 21.076 ( 3.658 3.531 13.352) 14.287 21.888 ( 10.139 2.458 4.257) 11.268 22.293 ( -16.062 3.493 -6.768) 17.776 22.756 ( -3.086 3.515 -4.427) 6.440 23.586 ( -7.723 1.369 2.647) 8.278 24.377 ( -5.998 3.455 4.188) 8.090 24.850 ( 23.150 -12.252 8.657) 27.586 ======================= Grid point 30 (29/110) ======================= q-point: ( 0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.000 44.492 0.000) 44.492 1.099 ( 0.000 52.591 0.000) 52.591 1.752 ( 0.000 81.980 0.000) 81.980 4.630 ( -0.000 -2.341 -0.000) 2.341 4.634 ( 0.000 2.756 0.000) 2.756 4.827 ( 0.000 2.984 0.000) 2.984 5.121 ( -0.000 -6.543 -0.000) 6.543 5.447 ( -0.000 -26.848 -0.000) 26.848 5.659 ( -0.000 -4.039 -0.000) 4.039 6.204 ( -0.000 -0.147 -0.000) 0.147 6.468 ( -0.000 -6.259 -0.000) 6.259 6.575 ( 0.000 4.084 0.000) 4.084 6.676 ( -0.000 -8.038 -0.000) 8.038 6.832 ( 0.000 6.181 0.000) 6.181 7.219 ( -0.000 -0.563 -0.000) 0.563 7.429 ( -0.000 -1.917 -0.000) 1.917 7.445 ( -0.000 -24.517 -0.000) 24.517 7.787 ( 0.000 9.570 0.000) 9.570 8.048 ( 0.000 2.327 0.000) 2.327 8.094 ( -0.000 -2.547 -0.000) 2.547 8.920 ( -0.000 -5.172 -0.000) 5.172 9.035 ( 0.000 18.018 0.000) 18.018 9.283 ( -0.000 -2.780 -0.000) 2.780 9.832 ( -0.000 -5.137 -0.000) 5.137 9.957 ( 0.000 8.235 0.000) 8.235 10.096 ( -0.000 -3.980 -0.000) 3.980 10.280 ( 0.000 2.175 0.000) 2.175 10.375 ( 0.000 9.679 0.000) 9.679 11.190 ( -0.000 -7.053 -0.000) 7.053 11.533 ( 0.000 8.467 0.000) 8.467 11.585 ( 0.000 2.921 0.000) 2.921 11.886 ( 0.000 10.906 0.000) 10.906 12.966 ( 0.000 2.950 0.000) 2.950 12.973 ( -0.000 -8.401 -0.000) 8.401 13.258 ( 0.000 3.114 0.000) 3.114 13.285 ( -0.000 -3.372 -0.000) 3.372 13.731 ( 0.000 7.107 0.000) 7.107 14.073 ( 0.000 16.616 0.000) 16.616 14.836 ( -0.000 -1.948 -0.000) 1.948 15.346 ( -0.000 -25.347 -0.000) 25.347 15.702 ( 0.000 9.544 0.000) 9.544 15.994 ( -0.000 -10.215 -0.000) 10.215 16.357 ( -0.000 -9.136 -0.000) 9.136 16.961 ( 0.000 17.877 0.000) 17.877 17.870 ( 0.000 1.643 0.000) 1.643 19.141 ( -0.000 -10.804 -0.000) 10.804 20.750 ( 0.000 3.221 0.000) 3.221 20.877 ( -0.000 -2.726 -0.000) 2.726 21.952 ( -0.000 -0.029 -0.000) 0.029 22.094 ( 0.000 2.769 0.000) 2.769 22.693 ( 0.000 3.811 0.000) 3.811 24.173 ( -0.000 -5.207 -0.000) 5.207 24.374 ( 0.000 4.946 0.000) 4.946 24.511 ( -0.000 -3.687 -0.000) 3.687 ======================= Grid point 31 (30/110) ======================= q-point: ( 0.06 -0.06 0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.069 ( -3.014 -1.178 -0.000) 3.236 3.440 ( 6.782 21.380 0.000) 22.430 3.722 ( -17.870 7.846 -0.000) 19.516 4.239 ( -4.948 -9.755 -0.000) 10.938 4.298 ( 3.050 -17.277 -0.000) 17.544 4.587 ( 1.955 -4.954 -0.000) 5.326 4.828 ( 6.878 -2.315 0.000) 7.257 5.021 ( -7.003 2.052 -0.000) 7.297 5.499 ( 24.816 13.992 0.000) 28.489 5.832 ( 7.354 -2.679 0.000) 7.827 6.074 ( -1.662 -4.383 -0.000) 4.687 6.242 ( -6.607 -5.162 -0.000) 8.384 6.374 ( -9.070 2.871 -0.000) 9.514 6.869 ( 4.309 -1.056 0.000) 4.436 7.089 ( 0.891 2.366 0.000) 2.528 7.351 ( -7.624 2.847 -0.000) 8.138 7.777 ( 1.914 3.065 0.000) 3.613 7.973 ( -2.248 2.633 0.000) 3.462 8.305 ( 12.179 1.096 0.000) 12.228 8.426 ( 3.443 1.010 0.000) 3.588 8.639 ( -7.023 0.300 -0.000) 7.030 9.032 ( 2.749 5.905 0.000) 6.513 9.233 ( -9.317 -11.308 -0.000) 14.652 9.454 ( 5.815 -1.188 0.000) 5.935 9.873 ( -5.076 -1.900 -0.000) 5.420 10.335 ( -3.559 3.177 0.000) 4.771 10.776 ( 3.797 -0.919 0.000) 3.906 11.106 ( -1.447 4.870 0.000) 5.080 11.278 ( -4.468 27.670 0.000) 28.029 11.770 ( -6.430 -12.694 -0.000) 14.229 11.936 ( -1.285 2.824 0.000) 3.103 12.152 ( 9.924 -8.093 -0.000) 12.806 12.474 ( 6.144 -5.461 -0.000) 8.220 12.854 ( -4.982 -6.986 -0.000) 8.581 13.218 ( -0.509 -2.921 -0.000) 2.965 13.394 ( 1.269 -5.996 -0.000) 6.129 14.147 ( -3.637 21.759 0.000) 22.060 14.337 ( 6.377 13.699 0.000) 15.111 14.680 ( 3.207 -20.629 -0.000) 20.877 14.964 ( 0.508 2.631 0.000) 2.679 15.277 ( -8.080 -11.289 -0.000) 13.883 16.591 ( 9.363 9.512 0.000) 13.347 16.755 ( 1.854 36.260 0.000) 36.308 17.285 ( -9.497 -1.956 -0.000) 9.697 17.559 ( -0.047 -37.582 -0.000) 37.582 18.070 ( 2.159 1.311 0.000) 2.526 20.451 ( -6.358 -1.365 -0.000) 6.503 21.235 ( 12.911 -0.834 0.000) 12.937 21.956 ( 0.230 0.007 0.000) 0.230 22.304 ( -9.583 4.196 -0.000) 10.462 22.771 ( -5.428 1.247 -0.000) 5.569 23.619 ( -4.961 -0.724 -0.000) 5.013 24.438 ( 10.988 -5.706 0.000) 12.381 24.819 ( 0.545 4.309 0.000) 4.344 ======================= Grid point 32 (31/110) ======================= q-point: ( 0.06 -0.06 -0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 3.325 -40.745 -0.000) 40.880 2.123 ( -23.957 -34.364 -0.000) 41.891 3.951 ( -32.504 -41.766 -0.000) 52.924 4.417 ( 6.980 10.368 0.000) 12.499 4.602 ( 1.671 7.189 0.000) 7.381 4.751 ( 4.576 0.765 0.000) 4.639 4.814 ( 1.909 -4.058 -0.000) 4.484 5.006 ( -0.390 9.119 0.000) 9.127 5.415 ( 1.515 13.424 0.000) 13.510 6.022 ( 5.088 3.500 0.000) 6.175 6.330 ( -7.025 15.606 0.000) 17.114 6.560 ( -7.229 13.679 0.000) 15.472 6.793 ( -0.037 8.529 0.000) 8.529 6.957 ( 0.176 -0.282 -0.000) 0.332 7.066 ( 10.110 2.602 0.000) 10.440 7.102 ( 4.125 7.083 0.000) 8.197 7.349 ( -2.382 -25.244 -0.000) 25.356 7.901 ( 2.068 -4.773 -0.000) 5.201 8.174 ( -10.314 4.949 -0.000) 11.440 8.428 ( -13.560 3.819 -0.000) 14.087 8.765 ( 6.242 -5.292 -0.000) 8.183 8.914 ( -2.657 6.516 0.000) 7.036 9.300 ( 30.629 -14.117 0.000) 33.726 9.485 ( 7.765 -5.454 -0.000) 9.488 9.935 ( -8.169 7.859 0.000) 11.336 10.154 ( 13.287 -4.028 0.000) 13.884 10.387 ( 2.204 -5.182 -0.000) 5.631 10.688 ( -4.938 -4.606 -0.000) 6.753 11.000 ( 1.184 -1.330 -0.000) 1.781 11.628 ( 3.419 -5.805 -0.000) 6.737 11.905 ( -8.422 -6.334 -0.000) 10.538 12.038 ( -6.101 -8.034 -0.000) 10.088 12.753 ( 6.591 5.991 0.000) 8.907 13.024 ( -4.071 2.562 -0.000) 4.809 13.273 ( 0.678 -12.049 -0.000) 12.069 13.625 ( 2.358 -0.469 0.000) 2.405 13.819 ( -10.084 -11.411 -0.000) 15.228 14.353 ( -0.041 9.750 0.000) 9.750 14.816 ( -1.196 4.799 0.000) 4.945 14.864 ( -1.654 1.265 0.000) 2.082 15.804 ( -1.894 16.613 0.000) 16.721 16.129 ( -1.226 10.985 0.000) 11.053 16.160 ( -11.961 -11.130 -0.000) 16.339 17.144 ( 9.148 -8.838 -0.000) 12.720 17.976 ( -3.935 -3.248 -0.000) 5.102 18.811 ( -0.140 21.362 0.000) 21.362 20.446 ( 12.725 -1.630 0.000) 12.828 21.134 ( 2.119 -6.162 -0.000) 6.516 21.953 ( -0.250 -0.115 -0.000) 0.275 22.011 ( 3.772 -9.986 -0.000) 10.675 22.633 ( 5.437 -3.845 -0.000) 6.659 23.497 ( 11.888 -10.255 -0.000) 15.700 24.299 ( 9.448 -5.424 0.000) 10.894 25.333 ( -32.070 23.765 0.000) 39.916 ======================= Grid point 33 (32/110) ======================= q-point: ( 0.16 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 0.000 34.792 27.741) 44.498 2.326 ( 0.000 42.869 17.910) 46.460 3.576 ( 0.000 60.030 27.661) 66.097 4.519 ( -0.000 -10.561 -9.659) 14.312 4.568 ( -0.000 -4.052 -5.561) 6.881 4.837 ( -0.000 -18.550 1.825) 18.639 4.889 ( -0.000 -3.632 3.563) 5.088 5.051 ( -0.000 -12.439 7.392) 14.470 5.658 ( 0.000 -10.695 10.987) 15.334 6.112 ( -0.000 -15.797 -2.533) 15.999 6.152 ( -0.000 -6.197 1.838) 6.464 6.382 ( -0.000 -15.729 -2.808) 15.978 6.716 ( 0.000 0.947 1.699) 1.945 7.044 ( -0.000 -5.530 -2.997) 6.290 7.175 ( 0.000 -3.740 5.553) 6.695 7.249 ( -0.000 -1.052 -5.437) 5.538 7.501 ( 0.000 28.546 16.192) 32.819 7.816 ( -0.000 -7.654 -8.553) 11.477 8.023 ( 0.000 1.163 4.979) 5.113 8.278 ( 0.000 6.170 8.284) 10.329 8.791 ( -0.000 -7.432 -0.279) 7.438 9.247 ( 0.000 -3.185 5.021) 5.946 9.375 ( 0.000 2.360 4.384) 4.979 9.778 ( -0.000 -1.191 0.015) 1.191 9.973 ( 0.000 0.057 1.496) 1.497 10.189 ( 0.000 10.235 1.881) 10.407 10.479 ( 0.000 0.325 8.603) 8.609 10.609 ( 0.000 14.608 -1.303) 14.666 11.063 ( -0.000 -3.489 2.693) 4.408 11.683 ( 0.000 7.255 -1.513) 7.411 11.691 ( 0.000 7.078 -0.741) 7.117 12.108 ( 0.000 3.032 2.470) 3.911 12.822 ( -0.000 -9.210 2.737) 9.608 13.013 ( 0.000 6.940 -3.503) 7.774 13.252 ( 0.000 11.247 -10.929) 15.683 13.335 ( 0.000 0.995 4.507) 4.616 13.709 ( -0.000 2.816 -13.645) 13.933 14.317 ( -0.000 -20.996 -4.366) 21.446 14.891 ( 0.000 8.285 8.631) 11.964 14.898 ( 0.000 -2.263 6.747) 7.116 15.689 ( -0.000 -0.647 -13.268) 13.284 16.007 ( -0.000 -9.175 -7.887) 12.099 16.069 ( 0.000 7.694 12.339) 14.541 17.416 ( 0.000 11.632 12.026) 16.731 17.911 ( 0.000 5.937 0.650) 5.972 19.024 ( -0.000 -23.689 18.399) 29.995 20.704 ( -0.000 -2.051 -10.929) 11.120 20.816 ( 0.000 3.539 -2.005) 4.067 21.657 ( -0.000 8.736 -15.900) 18.142 22.485 ( 0.000 -1.461 17.607) 17.667 22.793 ( 0.000 3.701 0.869) 3.801 24.052 ( -0.000 -5.859 -0.674) 5.897 24.247 ( -0.000 -5.252 -13.764) 14.732 24.476 ( 0.000 5.568 -1.381) 5.737 ======================= Grid point 34 (33/110) ======================= q-point: ( 0.16 -0.06 -0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.084 ( -0.005 -7.502 5.965) 9.584 3.331 ( 11.823 -15.341 7.036) 20.607 3.905 ( -8.851 -12.142 15.833) 21.828 4.228 ( 2.922 3.047 11.062) 11.840 4.497 ( -6.537 11.382 -2.529) 13.367 4.667 ( 0.073 10.243 3.575) 10.849 4.810 ( 0.676 6.021 3.573) 7.034 4.959 ( -2.593 -3.817 -2.852) 5.425 5.675 ( 13.477 9.088 -9.272) 18.713 5.822 ( 3.113 3.752 -0.023) 4.875 6.000 ( -9.112 0.091 -0.069) 9.113 6.343 ( -2.370 6.979 9.724) 12.202 6.518 ( -9.285 2.246 3.716) 10.250 6.812 ( -2.855 -3.910 -0.667) 4.887 7.077 ( 11.697 -4.465 0.316) 12.524 7.349 ( -4.981 -0.084 2.244) 5.464 7.813 ( -3.562 2.807 -4.024) 6.063 8.080 ( -8.179 -1.851 7.717) 11.396 8.379 ( 8.191 1.911 2.811) 8.868 8.543 ( 2.737 -3.873 14.119) 14.895 8.739 ( -4.844 0.073 8.064) 9.408 9.029 ( 8.472 -5.681 5.373) 11.529 9.228 ( 2.842 2.584 6.867) 7.868 9.416 ( -8.868 0.918 -6.534) 11.053 9.923 ( 2.573 1.775 7.567) 8.187 10.260 ( 3.920 -13.890 3.691) 14.897 10.736 ( 3.541 -4.287 -0.869) 5.628 11.086 ( 7.002 -31.092 -1.762) 31.920 11.196 ( -7.447 1.396 0.710) 7.610 11.611 ( 8.153 4.211 1.403) 9.283 11.948 ( -6.662 5.983 -9.647) 13.162 12.300 ( -4.094 0.195 -7.685) 8.710 12.500 ( -2.052 26.526 -4.160) 26.929 12.742 ( 2.829 -0.537 -1.746) 3.368 13.158 ( 4.000 1.128 -14.679) 15.256 13.336 ( -0.921 0.775 10.369) 10.438 13.925 ( 0.783 -23.062 -16.082) 28.126 14.443 ( -6.210 14.134 -11.321) 19.144 14.596 ( -2.615 14.928 -11.525) 19.040 15.152 ( 0.483 -8.906 9.630) 13.126 15.275 ( 0.894 5.501 18.166) 19.002 16.589 ( 4.333 -17.443 2.980) 18.218 17.001 ( -8.524 -12.145 6.334) 16.133 17.236 ( 6.745 -7.374 13.113) 16.487 17.774 ( -2.224 29.534 18.687) 35.020 18.187 ( 0.674 1.024 8.583) 8.670 20.394 ( -2.345 -2.682 -1.698) 3.946 21.051 ( 12.088 -5.241 -11.998) 17.820 21.935 ( 5.803 0.244 -1.875) 6.103 22.375 ( -16.328 -0.097 1.006) 16.359 22.814 ( -2.581 -1.548 5.350) 6.138 23.564 ( -2.736 -1.139 -3.307) 4.441 24.209 ( 17.548 -7.308 -5.926) 19.911 24.960 ( -10.141 13.441 -7.122) 18.282 ======================= Grid point 35 (34/110) ======================= q-point: ( 0.16 -0.06 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -17.935 -22.260 25.156) 38.078 1.863 ( -31.781 -23.707 30.387) 49.954 3.131 ( -51.779 -46.898 34.921) 78.102 4.509 ( 6.939 2.516 -9.498) 12.029 4.565 ( 1.037 -2.025 -7.861) 8.183 4.922 ( 9.632 8.010 16.408) 20.643 5.101 ( 9.540 14.548 2.542) 17.582 5.294 ( 8.750 11.334 8.107) 16.455 5.704 ( 6.215 9.038 5.166) 12.124 6.103 ( 10.199 0.897 2.492) 10.537 6.484 ( -4.082 5.576 -6.782) 9.682 6.625 ( -2.604 0.069 -10.296) 10.620 6.748 ( 1.778 -5.040 2.770) 6.020 6.994 ( -3.980 0.993 8.317) 9.274 7.178 ( 0.955 1.246 -1.133) 1.936 7.252 ( -3.056 1.207 7.128) 7.849 7.429 ( 3.003 17.244 1.835) 17.599 7.829 ( 3.356 -2.415 9.676) 10.522 8.235 ( -16.038 3.257 -1.976) 16.484 8.432 ( -8.977 -5.611 -1.368) 10.674 8.720 ( 7.040 -4.255 4.407) 9.332 8.961 ( 4.205 -5.944 3.497) 8.077 9.198 ( 29.252 -2.412 12.143) 31.764 9.491 ( 5.709 4.680 2.028) 7.656 9.992 ( 6.937 -3.328 1.647) 7.868 10.050 ( 4.738 -5.950 3.492) 8.369 10.308 ( 1.319 -7.129 -4.058) 8.308 10.692 ( -11.706 7.707 -6.305) 15.368 11.028 ( 5.069 0.050 2.981) 5.881 11.509 ( -2.584 -3.148 -1.686) 4.408 11.727 ( -0.130 -14.936 1.831) 15.048 11.857 ( -12.541 -2.375 -2.122) 12.939 12.876 ( 3.920 7.461 -1.097) 8.499 13.024 ( 3.447 0.727 -4.909) 6.042 13.183 ( -2.488 1.795 7.308) 7.926 13.486 ( 3.491 -3.558 -7.121) 8.692 13.619 ( -8.074 -12.648 6.342) 16.291 14.239 ( -0.894 -13.581 15.748) 20.815 14.820 ( -5.132 -2.724 0.210) 5.814 15.385 ( -4.228 26.655 -4.779) 27.408 15.786 ( -2.864 0.436 -18.561) 18.786 16.162 ( -1.999 6.758 -7.799) 10.512 16.375 ( -12.272 26.782 -1.527) 29.499 17.046 ( 2.421 -13.002 6.735) 14.842 17.807 ( -4.533 -11.770 -4.798) 13.494 19.413 ( 4.695 18.577 18.989) 26.976 20.389 ( 14.020 -1.540 -2.358) 14.300 20.620 ( 19.899 -26.117 -17.033) 36.989 21.702 ( -25.850 -5.298 -1.758) 26.445 22.170 ( 21.255 -1.920 10.690) 23.869 22.699 ( 0.193 3.952 9.803) 10.571 23.248 ( 10.201 -16.169 8.812) 21.051 24.230 ( 9.335 -2.024 1.836) 9.727 25.646 ( -34.129 22.680 -24.166) 47.573 ======================= Grid point 36 (35/110) ======================= q-point: ( 0.27 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.209 ( 0.000 23.927 18.197) 30.060 3.282 ( 0.000 14.163 9.310) 16.949 4.212 ( 0.000 0.378 7.872) 7.881 4.261 ( -0.000 1.394 -12.378) 12.456 4.604 ( -0.000 -5.979 -3.745) 7.055 4.816 ( -0.000 -11.468 9.285) 14.755 5.006 ( 0.000 -8.992 10.533) 13.849 5.082 ( 0.000 13.802 28.281) 31.469 5.506 ( -0.000 -13.584 0.624) 13.599 5.809 ( -0.000 -8.388 -2.537) 8.763 6.158 ( 0.000 -1.270 4.532) 4.707 6.257 ( 0.000 10.791 10.409) 14.993 6.604 ( -0.000 -10.802 -3.803) 11.452 6.863 ( -0.000 0.434 -4.315) 4.336 7.204 ( 0.000 -0.850 1.624) 1.833 7.336 ( 0.000 5.732 -1.678) 5.973 7.523 ( -0.000 -1.374 -4.323) 4.536 7.946 ( -0.000 -6.154 -3.949) 7.312 8.432 ( 0.000 0.317 7.571) 7.578 8.655 ( 0.000 7.583 15.122) 16.916 8.792 ( 0.000 20.368 21.036) 29.281 9.310 ( -0.000 -5.189 -1.879) 5.519 9.401 ( 0.000 2.829 10.660) 11.029 9.654 ( -0.000 -14.209 0.136) 14.209 10.176 ( 0.000 9.830 5.624) 11.325 10.396 ( 0.000 5.660 2.726) 6.282 10.567 ( 0.000 0.456 5.519) 5.537 10.916 ( 0.000 15.888 -0.511) 15.897 11.164 ( 0.000 -6.282 11.677) 13.260 11.749 ( -0.000 4.302 -6.855) 8.093 11.778 ( 0.000 3.855 -1.229) 4.046 12.043 ( -0.000 -3.974 -6.037) 7.227 12.654 ( -0.000 -12.185 -0.723) 12.206 13.013 ( -0.000 -0.791 -7.417) 7.459 13.238 ( -0.000 12.550 -18.208) 22.114 13.242 ( -0.000 -30.929 -8.605) 32.103 13.589 ( 0.000 18.303 -12.956) 22.425 13.653 ( 0.000 -5.799 7.602) 9.561 14.428 ( -0.000 -18.653 -26.621) 32.505 15.488 ( 0.000 12.776 26.986) 29.858 15.711 ( -0.000 -6.918 -7.312) 10.066 16.313 ( 0.000 32.616 26.661) 42.126 16.511 ( 0.000 9.177 16.491) 18.872 17.834 ( 0.000 6.104 12.540) 13.946 18.106 ( 0.000 6.277 4.178) 7.540 18.858 ( -0.000 -28.713 21.092) 35.628 20.425 ( -0.000 1.207 -16.413) 16.457 20.763 ( -0.000 -0.430 -8.079) 8.091 21.612 ( 0.000 6.182 -6.178) 8.740 22.691 ( 0.000 -1.403 3.221) 3.513 22.898 ( 0.000 2.833 6.228) 6.842 23.817 ( -0.000 -7.724 -15.807) 17.593 23.919 ( -0.000 -5.337 -0.718) 5.385 24.526 ( 0.000 5.103 -5.165) 7.261 ======================= Grid point 37 (36/110) ======================= q-point: ( 0.27 -0.07 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.862 ( 6.077 -19.356 11.344) 23.243 3.559 ( 1.371 5.532 11.457) 12.796 3.978 ( -9.515 -14.762 22.707) 28.707 4.231 ( 0.233 -3.327 -7.447) 8.159 4.653 ( 0.832 -1.133 -4.328) 4.551 4.752 ( 3.585 4.516 10.152) 11.675 5.069 ( 3.279 10.237 7.350) 13.022 5.215 ( -3.604 10.926 5.449) 12.730 5.620 ( 3.569 4.014 -6.204) 8.206 6.009 ( 3.830 9.423 0.761) 10.200 6.117 ( -2.660 9.475 -0.708) 9.867 6.425 ( -9.121 -7.467 1.564) 11.891 6.681 ( -1.812 6.242 2.229) 6.872 6.807 ( -10.779 2.119 0.796) 11.014 7.010 ( 6.182 -0.194 -0.237) 6.190 7.399 ( -11.953 -4.997 7.087) 14.767 7.823 ( 8.414 2.007 2.587) 9.029 8.186 ( -7.053 2.445 2.707) 7.941 8.477 ( 0.545 -3.845 11.571) 12.205 8.655 ( 3.182 -9.406 10.974) 14.800 8.901 ( -1.756 -6.110 12.201) 13.758 9.077 ( 0.570 -3.484 2.031) 4.072 9.253 ( 1.826 -5.340 -0.528) 5.669 9.450 ( 1.210 -2.327 13.581) 13.832 9.978 ( 13.810 -7.837 4.288) 16.448 10.177 ( 0.579 -4.434 7.190) 8.467 10.610 ( 2.945 -9.297 11.283) 14.913 10.716 ( 6.665 -5.880 2.301) 9.181 11.252 ( -4.195 -2.461 1.757) 5.171 11.634 ( -1.592 -1.230 -0.691) 2.127 11.841 ( -1.423 5.247 -13.505) 14.558 12.077 ( -0.905 0.257 -9.307) 9.354 12.559 ( 3.314 -4.426 -1.432) 5.712 12.774 ( 10.520 4.079 -13.030) 17.236 13.111 ( 0.368 -13.208 -17.414) 21.859 13.356 ( -5.048 34.671 -9.422) 36.281 13.618 ( -2.665 3.454 11.124) 11.949 14.421 ( -12.337 8.616 -16.510) 22.338 14.563 ( -8.137 11.387 -17.933) 22.747 15.146 ( 9.153 -3.590 2.217) 10.079 15.789 ( -2.086 1.989 24.084) 24.256 16.299 ( 0.340 -30.620 26.062) 40.211 16.891 ( -8.464 -15.448 8.637) 19.618 17.393 ( 10.079 -6.067 12.187) 16.939 18.269 ( -2.394 -3.379 4.532) 6.139 18.810 ( 1.160 26.469 21.337) 34.018 20.258 ( 0.756 -4.770 -6.167) 7.834 20.592 ( 10.831 -9.891 -17.796) 23.062 21.895 ( 10.773 -0.469 -2.255) 11.017 22.345 ( -20.437 -0.202 -2.063) 20.542 22.901 ( -1.041 -2.916 8.145) 8.713 23.482 ( -1.530 0.110 -2.651) 3.063 24.011 ( 16.344 -2.191 -3.255) 16.808 25.063 ( -12.831 15.939 -13.788) 24.674 ======================= Grid point 38 (37/110) ======================= q-point: ( 0.27 -0.07 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -11.700 -0.000 34.434) 36.368 2.087 ( -29.755 -0.000 33.689) 44.947 3.651 ( -30.465 -0.000 49.014) 57.711 4.262 ( 7.816 0.000 -17.196) 18.889 4.412 ( -12.239 -0.000 1.896) 12.385 5.274 ( 9.415 0.000 6.818) 11.625 5.318 ( 0.010 -0.000 5.361) 5.361 5.550 ( 19.578 0.000 2.655) 19.758 5.789 ( 24.213 0.000 -5.844) 24.908 6.127 ( 13.540 0.000 -1.382) 13.611 6.382 ( -5.263 -0.000 -12.658) 13.709 6.526 ( -11.927 -0.000 -4.885) 12.888 6.731 ( 4.041 0.000 1.470) 4.300 7.059 ( -6.894 -0.000 -3.448) 7.708 7.361 ( -15.367 -0.000 6.401) 16.647 7.387 ( 0.503 -0.000 23.818) 23.823 7.520 ( 12.469 0.000 -6.717) 14.163 8.213 ( -1.494 -0.000 4.922) 5.144 8.286 ( -6.452 -0.000 3.086) 7.152 8.287 ( -5.800 -0.000 5.812) 8.211 8.686 ( 4.812 0.000 3.351) 5.864 8.979 ( 2.558 0.000 3.490) 4.327 9.436 ( 24.348 0.000 12.157) 27.214 9.639 ( 8.834 0.000 0.933) 8.883 9.859 ( 0.505 0.000 -1.791) 1.860 10.100 ( -0.411 0.000 -4.775) 4.792 10.170 ( 0.927 -0.000 15.464) 15.491 10.592 ( 3.556 0.000 -1.872) 4.019 11.200 ( 3.672 0.000 10.511) 11.134 11.421 ( -13.289 -0.000 -4.742) 14.110 11.521 ( 2.899 0.000 -0.206) 2.906 11.814 ( -8.333 -0.000 -3.236) 8.939 12.992 ( 7.173 0.000 -2.924) 7.746 13.029 ( 8.587 0.000 -7.083) 11.131 13.236 ( 4.092 0.000 4.679) 6.216 13.512 ( -19.011 -0.000 2.162) 19.133 13.571 ( -7.016 -0.000 12.819) 14.613 14.530 ( -2.238 -0.000 23.138) 23.246 14.848 ( -9.172 -0.000 10.543) 13.975 15.163 ( -0.630 0.000 -38.016) 38.022 15.648 ( -6.671 -0.000 1.959) 6.953 16.211 ( 6.179 0.000 -8.051) 10.149 16.700 ( -11.013 -0.000 -7.334) 13.231 16.762 ( 7.006 0.000 3.046) 7.640 17.575 ( -4.095 -0.000 1.502) 4.362 19.790 ( 0.564 0.000 -16.296) 16.306 20.132 ( 13.537 0.000 7.629) 15.539 20.324 ( 19.102 0.000 -0.399) 19.106 21.671 ( -32.513 -0.000 1.933) 32.570 22.284 ( 27.350 0.000 5.204) 27.840 22.938 ( 0.688 -0.000 7.033) 7.067 23.367 ( 10.482 0.000 15.266) 18.518 24.284 ( 9.882 0.000 5.189) 11.161 25.328 ( -36.490 -0.000 -26.456) 45.072 ======================= Grid point 39 (38/110) ======================= q-point: ( 0.37 -0.07 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.420 ( 0.000 2.217 2.014) 2.995 3.538 ( -0.000 -2.936 -6.316) 6.965 4.326 ( 0.000 13.936 1.950) 14.072 4.383 ( -0.000 -6.518 1.972) 6.810 4.758 ( 0.000 9.692 11.707) 15.198 4.775 ( 0.000 -10.836 14.863) 18.393 5.132 ( 0.000 2.402 10.409) 10.683 5.259 ( -0.000 -10.141 4.523) 11.104 5.454 ( 0.000 -4.375 11.474) 12.280 5.666 ( -0.000 0.755 -2.997) 3.091 6.249 ( 0.000 4.455 -2.892) 5.311 6.264 ( -0.000 -14.053 -0.797) 14.076 6.827 ( 0.000 4.769 4.717) 6.708 6.893 ( 0.000 4.547 -0.791) 4.615 7.212 ( -0.000 -2.918 2.316) 3.725 7.334 ( 0.000 4.687 7.714) 9.026 7.685 ( -0.000 -4.527 -8.426) 9.565 7.800 ( 0.000 23.087 5.119) 23.647 8.269 ( -0.000 -0.152 -8.536) 8.538 8.936 ( -0.000 -11.329 6.880) 13.255 9.208 ( -0.000 -7.837 -4.018) 8.807 9.410 ( 0.000 3.865 8.555) 9.387 9.501 ( 0.000 -1.012 11.761) 11.804 10.055 ( 0.000 15.975 32.795) 36.479 10.496 ( 0.000 4.504 10.123) 11.080 10.598 ( 0.000 10.081 8.717) 13.327 10.760 ( 0.000 2.929 5.217) 5.983 11.097 ( -0.000 -15.300 6.622) 16.671 11.184 ( 0.000 9.854 -2.601) 10.192 11.536 ( -0.000 -10.711 -8.119) 13.441 11.740 ( -0.000 -16.838 2.020) 16.958 11.857 ( -0.000 15.820 -19.951) 25.462 12.028 ( -0.000 -20.299 -9.284) 22.321 12.691 ( -0.000 -4.976 -6.013) 7.805 12.873 ( -0.000 -5.390 3.126) 6.231 13.137 ( -0.000 14.668 -23.430) 27.643 13.471 ( -0.000 -19.718 -26.106) 32.716 13.792 ( 0.000 19.760 -10.602) 22.424 13.952 ( 0.000 1.951 14.392) 14.523 15.415 ( -0.000 -6.805 -8.430) 10.833 16.297 ( 0.000 8.183 31.764) 32.801 17.063 ( 0.000 8.317 20.211) 21.855 17.470 ( 0.000 15.983 30.145) 34.120 18.231 ( 0.000 14.607 13.920) 20.178 18.237 ( 0.000 2.410 -1.203) 2.694 18.671 ( -0.000 -29.516 22.222) 36.946 20.147 ( -0.000 4.817 -18.629) 19.242 20.442 ( -0.000 -7.769 -17.674) 19.306 21.649 ( 0.000 4.096 -1.556) 4.382 22.570 ( -0.000 -3.314 -7.997) 8.656 23.108 ( 0.000 2.268 7.448) 7.785 23.407 ( -0.000 -5.140 -10.417) 11.616 23.818 ( -0.000 -3.754 0.218) 3.761 24.498 ( -0.000 5.538 -8.410) 10.070 ======================= Grid point 40 (39/110) ======================= q-point: ( 0.37 -0.07 -0.59) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( 3.386 -9.487 11.335) 15.164 3.730 ( -2.414 -3.123 -2.684) 4.773 3.972 ( -10.286 -9.719 6.479) 15.564 4.172 ( -5.675 -7.792 16.951) 19.500 4.660 ( 8.830 4.752 2.853) 10.425 5.037 ( 6.356 1.224 4.752) 8.030 5.344 ( 3.756 8.475 1.473) 9.386 5.392 ( 7.312 1.186 1.369) 7.533 5.676 ( 3.052 6.134 1.438) 7.001 6.039 ( -7.736 -3.080 -9.991) 13.006 6.295 ( -1.643 5.483 1.459) 5.907 6.404 ( -2.169 6.125 7.092) 9.618 6.706 ( -6.160 -1.702 -0.330) 6.399 6.881 ( -1.834 2.461 -4.461) 5.415 7.139 ( -13.094 8.077 6.185) 16.582 7.484 ( -7.784 6.975 -0.542) 10.465 7.915 ( 3.763 1.050 1.765) 4.287 8.208 ( 2.865 -3.196 0.639) 4.339 8.617 ( 0.294 -1.473 4.239) 4.497 8.701 ( -3.803 -19.933 24.258) 31.626 8.849 ( 5.872 -6.522 4.907) 10.055 9.042 ( 3.640 2.206 0.886) 4.348 9.270 ( -6.330 -1.761 5.725) 8.714 9.612 ( 2.991 -7.835 13.683) 16.049 10.041 ( 11.082 -5.679 3.987) 13.075 10.157 ( 11.293 -2.982 6.566) 13.399 10.496 ( 5.583 -10.265 5.602) 12.958 10.901 ( 2.182 -10.373 20.198) 22.810 11.185 ( -7.385 3.143 -3.617) 8.803 11.593 ( 3.543 -6.243 -6.137) 9.445 11.647 ( -5.862 6.403 -6.466) 10.824 12.012 ( -5.878 0.623 -4.307) 7.314 12.390 ( 10.473 -3.717 -6.068) 12.661 12.633 ( 8.388 3.225 -3.288) 9.569 12.905 ( 3.169 10.561 2.821) 11.382 13.838 ( -8.031 20.818 -20.137) 30.056 13.881 ( -7.882 15.471 1.484) 17.427 14.176 ( -0.576 11.760 -23.832) 26.582 14.456 ( -16.663 1.571 -4.704) 17.385 15.091 ( 9.914 1.113 -5.360) 11.325 16.197 ( -7.919 -7.834 23.556) 26.057 16.390 ( -1.009 -21.497 37.237) 43.009 16.762 ( 0.601 -15.745 14.336) 21.302 17.285 ( 8.254 -15.097 -1.180) 17.246 18.095 ( -2.695 -12.414 -5.188) 13.722 19.598 ( -0.357 6.966 2.198) 7.313 19.779 ( 2.372 -3.179 -14.136) 14.682 20.233 ( 10.690 -4.741 -2.316) 11.921 21.825 ( 14.832 -1.246 -2.706) 15.128 22.357 ( -25.423 4.344 -0.526) 25.797 23.033 ( 0.516 0.479 9.140) 9.167 23.489 ( -1.228 1.367 0.809) 2.008 24.001 ( 16.828 1.862 2.125) 17.064 25.086 ( -14.122 14.393 -16.544) 26.082 ======================= Grid point 42 (40/110) ======================= q-point: ( 0.48 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.277 ( -0.000 -7.571 -2.418) 7.947 3.487 ( -0.000 3.858 -5.478) 6.700 4.451 ( 0.000 0.595 13.244) 13.258 4.472 ( -0.000 -0.364 -1.908) 1.942 4.976 ( 0.000 1.919 1.425) 2.390 5.031 ( 0.000 3.135 13.234) 13.600 5.216 ( -0.000 -3.638 1.295) 3.861 5.227 ( 0.000 -5.809 8.932) 10.654 5.591 ( 0.000 2.343 5.498) 5.976 5.720 ( -0.000 2.667 -5.028) 5.692 6.200 ( -0.000 6.528 -10.893) 12.700 6.219 ( 0.000 1.458 12.810) 12.892 6.800 ( -0.000 -10.571 -7.200) 12.790 6.849 ( 0.000 -2.572 3.385) 4.251 7.193 ( 0.000 2.244 3.465) 4.128 7.464 ( -0.000 3.443 -3.575) 4.964 7.632 ( 0.000 10.399 -5.403) 11.718 8.186 ( -0.000 7.613 -8.220) 11.204 8.470 ( -0.000 -22.415 -1.963) 22.500 8.580 ( 0.000 20.519 12.885) 24.229 9.164 ( 0.000 0.289 1.537) 1.564 9.605 ( 0.000 -1.838 4.904) 5.238 9.797 ( 0.000 9.883 10.115) 14.141 10.450 ( -0.000 -7.860 -12.077) 14.409 10.485 ( 0.000 -11.155 16.235) 19.698 10.722 ( -0.000 -14.149 -4.875) 14.965 10.881 ( -0.000 -25.355 1.641) 25.408 10.970 ( 0.000 -10.945 26.125) 28.325 11.380 ( 0.000 16.180 16.278) 22.951 11.450 ( 0.000 1.664 5.194) 5.454 11.508 ( 0.000 5.567 4.315) 7.044 11.887 ( 0.000 23.566 -21.494) 31.896 11.926 ( 0.000 -0.120 1.140) 1.146 12.553 ( -0.000 0.874 -6.091) 6.154 12.625 ( -0.000 -14.319 -15.799) 21.323 12.847 ( -0.000 9.850 -14.429) 17.471 12.952 ( -0.000 -1.539 -5.888) 6.086 13.931 ( 0.000 15.120 -13.468) 20.248 14.257 ( 0.000 1.053 11.649) 11.696 15.140 ( -0.000 -5.531 -5.535) 7.825 16.952 ( 0.000 0.042 25.457) 25.457 17.451 ( 0.000 -2.461 8.359) 8.714 17.873 ( 0.000 -12.697 17.224) 21.398 18.162 ( -0.000 -4.014 -5.718) 6.986 18.521 ( -0.000 -26.469 26.228) 37.263 19.094 ( 0.000 26.190 18.159) 31.869 19.761 ( -0.000 -14.574 -25.929) 29.744 19.934 ( -0.000 8.290 -16.775) 18.711 21.678 ( -0.000 -0.451 -1.143) 1.229 22.375 ( -0.000 2.411 -6.981) 7.386 23.185 ( 0.000 -2.064 2.548) 3.280 23.316 ( 0.000 4.753 -1.309) 4.930 23.779 ( -0.000 -1.731 1.655) 2.395 24.466 ( -0.000 7.882 -8.629) 11.687 ======================= Grid point 43 (41/110) ======================= q-point: ( 0.48 -0.08 -0.59) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 1.369 -2.133 12.177) 12.438 3.419 ( 0.132 -4.338 -13.294) 13.985 4.102 ( -17.194 -8.728 22.664) 29.757 4.346 ( -6.278 -3.670 11.475) 13.585 4.733 ( 10.807 -1.373 -7.020) 12.960 5.072 ( 13.561 2.028 7.209) 15.491 5.272 ( 1.487 -0.193 -8.355) 8.488 5.419 ( 10.510 -8.280 -3.642) 13.867 5.798 ( -2.749 10.071 -2.143) 10.657 5.967 ( -4.438 3.123 2.180) 5.848 6.273 ( -2.053 -5.719 -1.603) 6.284 6.654 ( -11.573 4.023 -2.050) 12.423 6.722 ( 11.846 9.338 -1.485) 15.157 6.934 ( 11.862 3.337 -1.231) 12.384 7.341 ( -29.603 1.552 8.543) 30.850 7.530 ( -12.072 6.005 -11.754) 17.887 8.045 ( -0.227 6.308 5.614) 8.447 8.230 ( -4.591 8.215 -1.603) 9.546 8.571 ( 3.892 -14.448 8.522) 17.220 8.667 ( 4.517 -0.444 1.150) 4.683 8.901 ( 4.593 -6.378 8.884) 11.862 9.128 ( 12.098 -4.536 0.292) 12.924 9.269 ( -3.026 -5.136 4.675) 7.576 9.599 ( -9.979 -13.077 0.746) 16.467 9.897 ( 19.443 -5.561 10.135) 22.620 10.319 ( 10.648 -2.142 11.955) 16.152 10.389 ( 1.287 -8.001 6.483) 10.378 11.190 ( -4.930 5.493 -0.364) 7.389 11.288 ( -0.270 0.961 7.263) 7.331 11.402 ( -1.079 -0.538 3.245) 3.462 11.734 ( -12.651 2.667 3.110) 13.298 11.879 ( -2.335 -5.098 10.128) 11.576 12.300 ( 7.402 5.359 -10.480) 13.905 12.733 ( 18.638 0.797 8.440) 20.476 13.363 ( -1.924 9.362 -39.468) 40.609 13.467 ( 0.885 15.992 8.233) 18.008 13.906 ( -20.659 1.170 -11.157) 23.508 14.311 ( -2.208 18.196 -12.435) 22.150 14.552 ( -8.856 0.908 13.035) 15.785 14.956 ( 10.713 3.702 -14.598) 18.482 16.307 ( -13.360 -14.013 15.257) 24.650 16.576 ( 8.961 -17.075 -5.964) 20.185 16.837 ( 3.904 -8.705 31.615) 33.023 17.088 ( 2.932 -8.479 24.601) 26.186 17.660 ( -3.188 -13.434 -8.488) 16.208 18.783 ( 0.176 -9.544 -40.680) 41.785 20.095 ( 4.970 1.127 5.932) 7.821 20.244 ( 0.021 3.597 5.970) 6.970 21.770 ( 21.965 0.061 -1.422) 22.012 22.462 ( -30.638 4.352 0.334) 30.947 23.254 ( -0.059 2.022 9.905) 10.110 23.515 ( -0.655 1.192 -1.996) 2.415 24.145 ( 20.746 3.033 6.895) 22.071 25.008 ( -14.244 7.938 -15.837) 22.731 ======================= Grid point 44 (42/110) ======================= q-point: ( 0.48 -0.08 -0.26) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( 6.324 8.263 6.375) 12.203 3.491 ( -2.077 3.453 -13.789) 14.366 3.937 ( -11.284 9.613 19.450) 24.454 4.492 ( 5.673 8.528 16.330) 19.276 4.928 ( 7.110 -7.304 1.116) 10.255 5.235 ( 4.578 -2.898 4.271) 6.899 5.315 ( -3.689 2.566 -8.034) 9.206 5.400 ( -0.554 -8.673 -4.858) 9.956 5.714 ( -4.742 -5.750 -5.481) 9.251 5.871 ( 10.625 -1.188 -2.337) 10.944 6.354 ( -4.858 4.861 6.046) 9.154 6.404 ( -3.790 2.200 1.965) 4.803 6.698 ( -8.928 -3.744 1.500) 9.797 6.794 ( -7.143 -1.504 5.404) 9.082 6.928 ( 7.911 -4.090 0.153) 8.907 7.386 ( 5.347 -6.682 -1.697) 8.724 7.844 ( -10.899 -4.539 5.011) 12.826 8.158 ( -7.501 -3.845 1.212) 8.515 8.603 ( -8.828 -5.163 -2.998) 10.657 8.806 ( 3.924 10.058 4.519) 11.705 9.026 ( 8.242 7.452 3.017) 11.514 9.289 ( 12.823 3.757 2.943) 13.683 9.660 ( 3.100 11.251 15.032) 19.030 9.756 ( -3.496 10.667 5.647) 12.566 10.309 ( -1.805 7.031 1.810) 7.481 10.462 ( 2.774 2.410 0.466) 3.704 10.761 ( 6.478 4.965 7.268) 10.928 11.013 ( 6.960 2.679 0.984) 7.522 11.212 ( -13.799 -3.351 -11.156) 18.058 11.363 ( 0.837 5.522 13.563) 14.668 11.651 ( 7.394 1.208 2.976) 8.061 11.945 ( 0.100 -1.715 1.377) 2.202 12.403 ( 6.927 1.767 -9.076) 11.554 12.873 ( -0.414 -13.026 -3.221) 13.424 12.989 ( -1.719 -17.722 -16.945) 24.580 13.297 ( -17.327 -5.584 -11.576) 21.573 13.405 ( 12.056 -8.739 7.673) 16.751 13.800 ( -3.271 -20.970 -18.037) 27.853 14.291 ( -11.781 0.536 15.555) 19.520 15.167 ( 11.268 -1.671 -13.034) 17.311 16.336 ( -13.333 20.014 22.460) 32.906 17.091 ( 3.007 9.751 15.704) 18.728 17.219 ( 4.158 21.671 33.610) 40.206 17.456 ( 6.920 18.105 2.826) 19.587 17.851 ( -6.068 14.495 -8.605) 17.915 19.074 ( 1.002 15.626 -38.084) 41.177 19.946 ( -0.612 -12.230 8.995) 15.195 20.380 ( 9.354 -3.474 -6.892) 12.127 21.728 ( -23.604 0.166 0.205) 23.606 22.334 ( 25.804 -4.573 -0.411) 26.209 23.233 ( 1.295 -1.803 8.931) 9.203 23.469 ( 1.901 -3.966 -3.716) 5.758 24.339 ( -18.787 -9.553 -7.125) 22.248 24.426 ( 5.990 -6.030 2.626) 8.896 ======================= Grid point 45 (43/110) ======================= q-point: (-0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.251 ( 0.000 -2.277 9.980) 10.237 3.377 ( -0.000 -2.605 -4.966) 5.608 4.292 ( -0.000 -6.349 -10.604) 12.359 4.726 ( 0.000 3.851 3.492) 5.198 4.985 ( 0.000 3.473 -2.605) 4.341 5.148 ( 0.000 -2.017 2.142) 2.943 5.292 ( 0.000 -1.123 12.394) 12.444 5.323 ( 0.000 -1.619 5.524) 5.756 5.547 ( -0.000 1.540 -15.904) 15.978 5.839 ( 0.000 8.206 8.551) 11.852 6.223 ( 0.000 11.008 -5.813) 12.449 6.350 ( -0.000 -12.527 5.620) 13.730 6.589 ( 0.000 4.948 1.354) 5.130 6.812 ( -0.000 -7.091 0.217) 7.094 7.405 ( 0.000 11.815 -2.865) 12.157 7.424 ( -0.000 -0.557 -5.154) 5.184 7.753 ( 0.000 7.474 0.794) 7.516 7.845 ( -0.000 -14.287 -15.098) 20.786 8.257 ( 0.000 10.399 -3.679) 11.030 9.113 ( -0.000 -3.224 0.972) 3.367 9.205 ( 0.000 8.036 10.688) 13.372 9.646 ( 0.000 -1.612 2.482) 2.960 9.798 ( -0.000 -5.176 -17.293) 18.051 10.164 ( -0.000 -28.990 1.507) 29.030 10.408 ( 0.000 1.714 20.724) 20.795 10.499 ( 0.000 -3.053 3.167) 4.399 10.741 ( -0.000 -10.501 2.602) 10.818 11.207 ( -0.000 -12.319 -18.601) 22.310 11.258 ( 0.000 -10.828 21.910) 24.439 11.542 ( 0.000 5.918 -4.106) 7.203 11.745 ( 0.000 3.969 13.198) 13.782 11.855 ( -0.000 13.845 -23.088) 26.921 12.171 ( 0.000 9.268 3.730) 9.990 12.386 ( 0.000 0.551 10.150) 10.165 12.733 ( -0.000 9.247 -13.675) 16.508 12.923 ( 0.000 19.038 18.095) 26.265 12.938 ( 0.000 2.512 0.673) 2.601 13.874 ( -0.000 10.074 -19.286) 21.759 14.332 ( -0.000 -2.333 -4.342) 4.929 15.079 ( 0.000 -1.443 8.568) 8.689 16.962 ( -0.000 -16.379 -13.032) 20.931 17.456 ( 0.000 -6.221 6.951) 9.328 17.814 ( -0.000 -20.358 13.297) 24.316 17.822 ( -0.000 -12.884 -4.762) 13.736 18.602 ( -0.000 -20.098 -41.738) 46.325 18.704 ( 0.000 -18.791 37.839) 42.248 19.865 ( -0.000 10.927 -11.334) 15.743 20.030 ( 0.000 17.044 16.856) 23.972 21.567 ( -0.000 -5.262 -2.780) 5.951 22.476 ( 0.000 10.737 1.027) 10.786 23.273 ( 0.000 3.260 4.077) 5.220 23.364 ( 0.000 4.667 -3.307) 5.720 23.810 ( 0.000 0.248 3.134) 3.144 24.497 ( 0.000 9.347 -7.170) 11.781 ======================= Grid point 46 (44/110) ======================= q-point: (-0.42 -0.08 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.100 ( 2.041 -0.000 10.283) 10.484 3.142 ( -1.208 0.000 -11.028) 11.094 4.152 ( 7.282 0.000 -21.393) 22.599 4.410 ( -14.496 -0.000 13.154) 19.575 4.847 ( -1.259 -0.000 20.581) 20.619 4.947 ( -8.592 -0.000 -14.413) 16.780 5.328 ( 10.133 0.000 11.470) 15.305 5.370 ( 7.537 0.000 6.370) 9.869 5.832 ( 0.846 0.000 -5.332) 5.399 5.976 ( -12.960 -0.000 -6.301) 14.410 6.239 ( 17.398 0.000 4.832) 18.057 6.588 ( -7.054 -0.000 -7.841) 10.547 6.806 ( 23.445 0.000 -5.872) 24.169 6.888 ( 9.136 0.000 -0.170) 9.137 7.304 ( -15.666 -0.000 -10.152) 18.668 7.547 ( -29.097 -0.000 2.776) 29.229 8.248 ( 8.539 0.000 -0.283) 8.544 8.432 ( -0.276 0.000 -1.297) 1.327 8.447 ( -2.901 -0.000 2.514) 3.838 8.590 ( -7.017 -0.000 -3.437) 7.814 8.964 ( 12.539 0.000 8.566) 15.186 8.978 ( 10.185 0.000 -4.226) 11.026 9.293 ( -2.774 -0.000 6.481) 7.050 9.440 ( -15.104 -0.000 -1.615) 15.190 10.013 ( 19.118 0.000 4.718) 19.691 10.406 ( -10.711 -0.000 3.954) 11.417 10.649 ( 14.343 0.000 21.234) 25.624 11.043 ( -11.225 -0.000 -18.030) 21.238 11.178 ( 2.946 0.000 -5.380) 6.134 11.438 ( -11.274 -0.000 1.181) 11.335 12.049 ( 3.827 0.000 -8.306) 9.145 12.129 ( -3.047 -0.000 9.891) 10.350 12.465 ( 0.603 -0.000 41.513) 41.518 12.477 ( -0.529 0.000 -40.822) 40.825 13.001 ( 24.692 0.000 11.125) 27.083 13.591 ( -24.120 -0.000 -16.247) 29.082 14.089 ( 2.014 -0.000 21.913) 22.005 14.144 ( -2.114 0.000 -21.774) 21.876 14.656 ( 13.488 0.000 -20.188) 24.280 14.940 ( -10.223 -0.000 20.606) 23.003 16.102 ( 11.996 0.000 -15.969) 19.973 16.407 ( -12.605 -0.000 13.290) 18.317 17.153 ( 5.854 0.000 15.590) 16.653 17.269 ( -3.636 0.000 -14.280) 14.735 17.817 ( 0.392 -0.000 46.789) 46.791 17.822 ( 0.050 0.000 -47.633) 47.633 20.179 ( 5.707 0.000 3.427) 6.657 20.377 ( -10.883 -0.000 2.347) 11.133 21.757 ( 28.456 0.000 -0.682) 28.464 22.500 ( -32.380 -0.000 -1.519) 32.416 23.441 ( -0.280 0.000 -6.878) 6.884 23.451 ( -2.066 -0.000 7.679) 7.952 24.355 ( 24.677 0.000 10.698) 26.896 24.807 ( -13.383 -0.000 -13.316) 18.879 ======================= Grid point 47 (45/110) ======================= q-point: ( 0.58 -0.08 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( -2.609 2.205 -9.148) 9.765 3.349 ( 2.353 2.357 6.696) 7.478 4.384 ( -7.769 4.563 9.563) 13.139 4.609 ( 9.521 -1.167 -7.147) 11.962 5.034 ( -4.003 -2.037 7.592) 8.821 5.129 ( 3.321 1.580 -11.066) 11.661 5.254 ( -5.574 3.451 -3.844) 7.600 5.439 ( 7.742 2.679 9.876) 12.831 5.539 ( -9.270 -2.018 -3.802) 10.221 5.737 ( 7.385 -4.422 -2.022) 8.842 6.224 ( -4.853 -8.281 -2.512) 9.922 6.403 ( 7.500 -6.653 5.941) 11.654 6.605 ( -10.466 0.496 -4.834) 11.539 6.886 ( 3.934 2.535 3.139) 5.635 7.051 ( 3.259 1.539 -4.988) 6.154 7.329 ( 14.908 0.295 5.925) 16.044 7.916 ( -13.803 -9.440 3.026) 16.994 8.047 ( -4.291 -2.816 3.682) 6.317 8.473 ( -16.602 -1.932 4.999) 17.446 8.906 ( 17.587 1.793 -2.882) 17.912 9.244 ( -2.101 2.003 -6.172) 6.820 9.352 ( 9.479 11.008 0.903) 14.554 9.963 ( -6.046 1.737 11.552) 13.153 10.192 ( 12.374 1.665 -13.146) 18.130 10.335 ( -14.426 13.489 -0.494) 19.756 10.654 ( 4.275 10.961 2.719) 12.075 10.811 ( -11.429 3.461 -10.015) 15.585 11.097 ( 7.711 9.082 1.068) 11.961 11.293 ( -2.702 11.671 -0.308) 11.984 11.417 ( 7.064 -2.096 3.157) 8.017 11.773 ( -0.997 -7.170 -13.118) 14.982 11.807 ( 2.026 -9.770 14.800) 17.849 12.261 ( -5.756 -3.901 -0.267) 6.958 12.372 ( 2.682 -1.025 -3.811) 4.771 12.768 ( -2.433 -17.112 7.910) 19.009 12.831 ( 3.091 -18.978 -5.180) 19.913 13.181 ( -15.655 -2.222 -13.145) 20.562 13.596 ( 17.950 -5.207 15.567) 24.323 14.569 ( -14.810 -0.027 7.120) 16.433 14.908 ( 12.861 0.780 -7.962) 15.146 17.109 ( -10.766 15.174 12.078) 22.182 17.356 ( 8.496 10.632 -9.914) 16.837 17.794 ( -0.230 15.395 4.330) 15.994 17.820 ( 1.229 14.393 -7.852) 16.442 18.632 ( -2.241 19.857 40.505) 45.166 18.684 ( 1.748 19.209 -38.527) 43.085 19.903 ( -3.034 -11.900 12.198) 17.309 19.985 ( 3.356 -14.816 -14.859) 21.250 21.758 ( -15.399 1.387 1.601) 15.544 22.196 ( 19.517 -5.980 -0.774) 20.427 23.287 ( -1.235 -3.066 -3.996) 5.186 23.326 ( 2.008 -3.222 3.815) 5.383 24.055 ( -15.620 -4.963 -4.827) 17.085 24.374 ( 10.257 -8.403 6.583) 14.803 ======================= Grid point 48 (46/110) ======================= q-point: (-0.31 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( -0.000 -8.138 -2.343) 8.468 3.445 ( 0.000 -6.409 8.613) 10.736 3.816 ( -0.000 -7.337 -15.649) 17.284 4.579 ( -0.000 -6.729 -18.516) 19.701 5.028 ( 0.000 11.754 -0.012) 11.754 5.153 ( -0.000 -1.511 0.052) 1.512 5.401 ( 0.000 7.171 -6.275) 9.529 5.438 ( 0.000 3.432 6.869) 7.678 5.617 ( 0.000 3.036 17.178) 17.444 5.963 ( -0.000 -8.151 -14.047) 16.240 6.309 ( 0.000 3.013 -0.890) 3.142 6.327 ( 0.000 -3.641 7.577) 8.406 6.563 ( -0.000 -2.948 -4.003) 4.972 6.697 ( 0.000 2.253 1.194) 2.550 7.161 ( -0.000 -0.867 -5.389) 5.458 7.443 ( -0.000 4.894 -8.861) 10.123 7.675 ( 0.000 13.238 -6.637) 14.809 7.991 ( 0.000 8.524 2.521) 8.889 8.476 ( 0.000 8.713 3.777) 9.497 8.867 ( -0.000 -14.838 -6.091) 16.039 9.344 ( -0.000 -25.565 -17.791) 31.146 9.350 ( -0.000 -2.096 0.544) 2.166 9.659 ( 0.000 2.308 4.132) 4.733 9.663 ( -0.000 -2.928 -4.024) 4.977 10.328 ( -0.000 -17.257 -3.674) 17.643 10.517 ( 0.000 7.108 -4.569) 8.450 10.802 ( -0.000 -4.630 -10.874) 11.819 10.900 ( 0.000 -1.685 19.369) 19.442 11.222 ( -0.000 -0.387 -12.581) 12.587 11.394 ( -0.000 -7.978 -2.186) 8.272 11.777 ( -0.000 -6.162 -3.364) 7.021 11.928 ( 0.000 9.501 1.944) 9.698 12.604 ( 0.000 7.377 11.114) 13.340 12.674 ( 0.000 -7.721 7.914) 11.057 13.016 ( 0.000 18.190 36.618) 40.887 13.042 ( 0.000 16.468 -12.191) 20.489 13.652 ( -0.000 7.960 -21.266) 22.707 13.748 ( 0.000 20.045 20.064) 28.361 14.098 ( -0.000 -0.725 -10.451) 10.476 15.335 ( 0.000 2.344 14.818) 15.002 16.141 ( -0.000 -22.204 -24.772) 33.266 17.123 ( -0.000 -6.331 -18.752) 19.792 17.264 ( -0.000 -22.239 -42.294) 47.785 17.613 ( -0.000 -21.833 4.142) 22.223 17.716 ( -0.000 -12.629 12.452) 17.735 19.086 ( 0.000 -15.876 37.616) 40.829 19.940 ( 0.000 12.407 -5.841) 13.713 20.532 ( 0.000 8.161 8.675) 11.911 21.401 ( -0.000 -6.255 -1.906) 6.539 22.715 ( 0.000 8.326 0.499) 8.341 23.255 ( -0.000 1.736 -8.662) 8.834 23.583 ( 0.000 9.134 8.192) 12.270 23.904 ( 0.000 1.668 4.392) 4.698 24.543 ( 0.000 6.967 -6.528) 9.547 ======================= Grid point 50 (47/110) ======================= q-point: (-0.31 -0.09 0.76) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.292 ( -1.527 5.749 1.145) 6.057 3.472 ( 1.359 -4.068 6.713) 7.966 4.397 ( 2.216 0.113 -7.237) 7.570 4.572 ( -5.256 2.382 0.934) 5.846 4.918 ( 4.993 2.961 -10.201) 11.737 5.083 ( -3.238 -4.823 -9.514) 11.147 5.176 ( -1.529 4.853 -9.704) 10.957 5.336 ( -2.886 -2.994 -6.459) 7.682 5.544 ( 1.080 1.469 -0.695) 1.952 5.770 ( -2.855 -3.177 7.323) 8.478 6.092 ( 1.887 -2.487 -0.231) 3.130 6.326 ( 6.553 -7.376 1.370) 9.961 6.643 ( -5.335 4.839 0.046) 7.202 6.891 ( 9.224 0.343 -7.451) 11.862 7.040 ( -3.604 6.110 3.325) 7.834 7.445 ( 12.673 -4.469 5.609) 14.562 7.768 ( -12.600 -2.778 3.132) 13.278 8.037 ( 5.098 -8.550 8.751) 13.254 8.625 ( -5.493 3.221 -8.711) 10.790 8.737 ( -4.174 -4.596 -1.791) 6.461 9.200 ( 1.057 4.467 -7.188) 8.528 9.383 ( 1.114 2.118 -5.842) 6.313 9.911 ( 0.731 -6.282 -5.582) 8.436 10.194 ( 7.683 3.218 -1.822) 8.526 10.594 ( -3.299 13.463 3.634) 14.330 10.821 ( 0.393 13.173 -9.506) 16.250 10.884 ( -6.000 10.727 -5.698) 13.547 11.081 ( -5.654 10.434 -8.826) 14.790 11.293 ( 5.361 2.261 -6.591) 8.791 11.412 ( -0.125 -10.651 -16.099) 19.304 11.499 ( 2.311 -6.456 -4.409) 8.152 11.805 ( 2.273 -18.058 16.415) 24.509 12.128 ( -9.576 -3.288 1.516) 10.238 12.468 ( 6.564 -1.651 4.608) 8.188 12.615 ( -0.184 10.810 20.136) 22.855 12.875 ( -0.794 -13.124 19.040) 23.138 13.040 ( -7.306 3.271 -1.812) 8.207 13.726 ( 11.727 -7.653 10.960) 17.782 14.422 ( -6.951 -2.352 -12.533) 14.523 15.034 ( 5.333 3.264 9.691) 11.533 16.976 ( -0.616 1.795 -27.847) 27.911 17.531 ( -5.131 3.305 -4.258) 7.442 17.780 ( 5.366 9.878 -18.187) 21.381 18.180 ( -1.100 4.150 4.691) 6.359 18.507 ( 1.054 26.917 -25.241) 36.915 19.104 ( -0.605 -25.661 -19.726) 32.372 19.752 ( 0.617 14.182 26.180) 29.781 19.972 ( -2.713 -9.756 18.073) 20.716 21.811 ( -10.626 -0.457 1.521) 10.744 22.157 ( 14.822 -0.717 5.419) 15.798 23.193 ( -0.726 1.845 -3.306) 3.854 23.300 ( 1.048 -4.111 1.432) 4.478 23.959 ( -11.650 0.591 -0.462) 11.674 24.359 ( 8.570 -6.683 8.499) 13.796 ======================= Grid point 51 (48/110) ======================= q-point: (-0.21 -0.09 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.737 ( -0.000 -22.803 -31.365) 38.778 2.749 ( -0.000 -14.792 -24.567) 28.677 3.944 ( 0.000 4.295 12.058) 12.800 4.222 ( -0.000 -1.656 -2.815) 3.266 4.583 ( -0.000 -22.227 -39.269) 45.123 5.299 ( 0.000 6.047 -1.196) 6.164 5.452 ( -0.000 6.610 -11.917) 13.627 5.599 ( 0.000 20.875 1.799) 20.953 5.793 ( 0.000 7.028 13.462) 15.186 6.011 ( 0.000 2.934 14.958) 15.243 6.374 ( 0.000 3.011 -1.099) 3.205 6.383 ( 0.000 -7.364 10.361) 12.712 6.525 ( -0.000 -3.165 2.517) 4.043 6.738 ( 0.000 -3.663 4.213) 5.583 7.351 ( -0.000 4.667 -9.401) 10.496 7.381 ( 0.000 15.732 6.615) 17.066 7.914 ( 0.000 16.679 -3.514) 17.045 7.963 ( -0.000 -8.807 -16.225) 18.461 8.368 ( -0.000 -2.513 -13.311) 13.546 8.470 ( -0.000 -6.094 -8.753) 10.665 8.941 ( 0.000 6.662 0.749) 6.704 9.185 ( -0.000 -15.789 0.634) 15.802 9.513 ( -0.000 -2.858 -5.094) 5.841 9.774 ( 0.000 -4.115 6.789) 7.938 10.063 ( -0.000 -7.251 2.374) 7.630 10.419 ( -0.000 4.367 -23.699) 24.097 10.441 ( -0.000 -8.567 -12.709) 15.326 10.810 ( -0.000 3.564 -10.870) 11.440 11.143 ( -0.000 -2.878 2.206) 3.626 11.446 ( 0.000 -3.195 13.879) 14.242 11.614 ( -0.000 -3.260 -1.873) 3.760 11.869 ( -0.000 -14.969 -1.197) 15.017 12.889 ( 0.000 5.674 12.800) 14.002 12.904 ( 0.000 5.795 6.957) 9.054 13.094 ( -0.000 9.363 -9.698) 13.480 13.474 ( -0.000 7.343 -12.674) 14.648 13.619 ( -0.000 -1.967 -7.933) 8.173 14.268 ( 0.000 10.593 36.176) 37.695 14.561 ( 0.000 14.122 13.321) 19.413 15.261 ( -0.000 -15.223 -23.751) 28.211 15.716 ( 0.000 8.508 10.040) 13.160 16.099 ( -0.000 -6.969 -34.778) 35.470 16.714 ( -0.000 1.723 -17.204) 17.290 17.224 ( -0.000 -24.359 3.633) 24.628 17.634 ( -0.000 -11.962 5.832) 13.308 19.449 ( 0.000 -9.733 27.740) 29.398 20.147 ( 0.000 10.743 1.303) 10.821 20.731 ( 0.000 2.151 2.125) 3.024 21.230 ( -0.000 -7.067 -1.805) 7.294 22.792 ( -0.000 2.388 -3.811) 4.497 23.094 ( -0.000 1.046 -9.962) 10.016 23.935 ( 0.000 7.383 8.609) 11.342 24.036 ( 0.000 1.901 5.146) 5.486 24.510 ( -0.000 2.195 -6.740) 7.089 ======================= Grid point 52 (49/110) ======================= q-point: (-0.21 -0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( -9.916 17.602 -14.985) 25.153 3.413 ( 15.919 15.783 -21.571) 31.110 3.901 ( -0.560 2.781 15.415) 15.674 4.209 ( -4.716 5.413 -9.305) 11.753 4.880 ( -8.070 -15.243 -4.193) 17.749 5.134 ( -2.311 -5.494 -6.099) 8.527 5.317 ( 7.810 4.457 -8.586) 12.433 5.496 ( -3.940 -11.764 1.704) 12.522 5.648 ( 9.815 -1.232 -15.391) 18.296 5.946 ( 1.579 2.223 6.957) 7.473 6.194 ( -3.190 11.508 -4.227) 12.668 6.376 ( -1.279 -4.876 -0.138) 5.043 6.663 ( 3.344 -4.867 -2.449) 6.393 6.770 ( 2.461 -8.321 3.573) 9.384 7.025 ( -3.753 -5.199 7.444) 9.825 7.406 ( 4.033 -5.914 -0.320) 7.166 7.815 ( 11.830 -3.913 1.617) 12.565 8.114 ( 5.912 -0.982 -3.371) 6.876 8.561 ( 4.023 11.148 -15.894) 19.826 8.716 ( -0.708 8.924 -0.291) 8.956 8.863 ( -0.177 7.758 -14.967) 16.859 9.126 ( -8.328 -5.118 -6.234) 11.594 9.452 ( -12.563 5.935 -5.348) 14.888 9.714 ( -5.380 0.692 -2.140) 5.831 10.162 ( -1.659 3.642 -8.174) 9.101 10.395 ( -1.400 0.391 -9.680) 9.789 10.608 ( -4.494 11.269 -4.921) 13.092 10.888 ( 7.068 2.565 -7.681) 10.749 11.169 ( -11.444 9.452 -6.374) 16.154 11.510 ( 4.972 -1.951 11.782) 12.936 11.670 ( -3.004 5.029 2.929) 6.549 11.964 ( -1.621 2.309 3.434) 4.444 12.605 ( -7.599 -2.253 10.053) 12.801 12.770 ( -2.666 -7.785 -1.086) 8.300 13.090 ( -12.125 -6.681 -4.423) 14.533 13.422 ( 23.512 -2.123 7.744) 24.846 13.726 ( 7.616 -22.352 13.091) 27.000 14.059 ( 9.230 -5.623 1.032) 10.857 14.229 ( 1.706 -15.973 25.449) 30.095 15.332 ( -11.250 2.323 1.665) 11.607 15.934 ( 13.206 11.656 -16.647) 24.236 16.400 ( -1.166 22.321 -40.553) 46.305 16.758 ( 1.007 7.396 -18.629) 20.069 17.518 ( -10.698 17.410 1.582) 20.495 18.001 ( 5.365 13.168 4.886) 15.035 19.590 ( 0.249 -4.447 0.955) 4.555 19.869 ( -4.505 -1.448 15.412) 16.122 20.497 ( -10.989 1.357 5.845) 12.521 21.733 ( 24.016 1.397 0.711) 24.067 22.344 ( -25.717 -1.042 0.368) 25.741 23.049 ( -0.866 -0.851 -9.996) 10.070 23.511 ( -4.346 -2.420 0.745) 5.029 24.315 ( -7.987 -4.189 -2.649) 9.400 24.601 ( 25.745 -10.414 13.778) 31.001 ======================= Grid point 53 (50/110) ======================= q-point: (-0.21 -0.09 -0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 3.599 -2.240 -1.851) 4.626 3.572 ( -1.285 2.435 5.588) 6.230 4.314 ( 0.874 -8.432 -0.915) 8.526 4.506 ( -7.725 -1.582 -5.367) 9.538 4.641 ( 3.698 -5.720 -12.489) 14.226 4.836 ( -1.298 4.408 -16.063) 16.707 5.108 ( 4.583 1.135 -5.262) 7.070 5.169 ( 2.707 11.045 -9.556) 14.854 5.530 ( -5.111 0.501 -5.088) 7.230 5.854 ( -9.604 4.051 3.099) 10.875 6.081 ( 6.646 4.845 -2.587) 8.622 6.266 ( 2.692 -2.783 3.922) 5.511 6.649 ( 2.371 -2.962 -2.697) 4.655 6.903 ( 11.132 7.035 -0.251) 13.171 7.149 ( -7.795 0.456 -1.842) 8.023 7.365 ( 9.725 -10.338 1.273) 14.250 7.777 ( -16.152 -2.869 -2.745) 16.633 8.076 ( -9.443 -2.982 3.155) 10.393 8.334 ( -9.355 -1.190 3.323) 9.999 8.766 ( 12.186 5.534 -8.486) 15.847 9.136 ( 10.656 -0.346 -3.224) 11.138 9.397 ( -7.355 6.902 -2.007) 10.284 9.625 ( -3.381 -2.782 -12.486) 13.232 10.008 ( 3.901 -9.982 -29.092) 31.003 10.426 ( 3.614 -13.090 -11.183) 17.592 10.622 ( 0.775 -19.048 -1.770) 19.145 10.795 ( -5.025 10.367 -18.370) 21.684 11.034 ( 3.253 10.792 -3.715) 11.868 11.174 ( 3.439 -5.192 3.384) 7.088 11.444 ( 2.067 8.015 6.332) 10.422 11.684 ( 6.215 -4.500 14.789) 16.662 11.967 ( -5.828 -0.301 4.729) 7.511 12.141 ( -7.725 23.275 9.891) 26.443 12.624 ( 5.118 3.258 6.491) 8.885 12.846 ( 1.992 2.787 -3.914) 5.202 13.121 ( 1.064 -15.929 23.614) 28.504 13.497 ( -0.995 17.194 26.778) 31.838 13.707 ( 0.527 -5.483 2.088) 5.891 14.146 ( -9.814 -4.792 -6.337) 12.626 15.284 ( 7.935 3.724 7.868) 11.779 16.351 ( -2.904 -4.933 -32.185) 32.690 17.184 ( -9.216 -9.240 -18.550) 22.681 17.414 ( 4.849 -11.981 -27.552) 30.433 18.086 ( 6.658 -15.909 -13.131) 21.676 18.320 ( -2.325 -4.303 -2.068) 5.310 18.677 ( -0.321 28.530 -22.357) 36.247 20.149 ( -0.241 -5.019 16.031) 16.800 20.423 ( 2.006 4.498 20.476) 21.060 21.814 ( -12.875 -2.037 2.352) 13.246 22.298 ( 17.804 1.360 5.636) 18.725 23.103 ( 0.215 -2.221 -7.191) 7.529 23.357 ( 1.350 3.129 5.797) 6.724 24.065 ( -11.138 5.807 4.537) 13.355 24.429 ( 3.179 -3.020 9.266) 10.251 ======================= Grid point 54 (51/110) ======================= q-point: (-0.10 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -0.000 0.000 -42.160) 42.160 1.864 ( -0.000 0.000 -43.837) 43.837 3.144 ( -0.000 0.000 -71.312) 71.312 4.322 ( 0.000 -0.000 10.962) 10.962 4.367 ( 0.000 -0.000 17.998) 17.998 5.285 ( -0.000 0.000 -4.495) 4.495 5.385 ( -0.000 0.000 -6.201) 6.201 5.923 ( -0.000 0.000 -6.524) 6.524 6.137 ( 0.000 -0.000 8.349) 8.349 6.240 ( 0.000 -0.000 12.855) 12.855 6.479 ( -0.000 0.000 -0.130) 0.130 6.491 ( 0.000 -0.000 5.676) 5.676 6.576 ( 0.000 -0.000 16.420) 16.420 6.758 ( 0.000 -0.000 5.197) 5.197 7.279 ( -0.000 0.000 -5.603) 5.603 7.352 ( -0.000 0.000 -24.125) 24.125 7.788 ( 0.000 -0.000 8.509) 8.509 8.038 ( -0.000 0.000 -1.711) 1.711 8.166 ( -0.000 0.000 -11.098) 11.098 8.332 ( -0.000 0.000 -11.033) 11.033 8.962 ( 0.000 -0.000 9.363) 9.363 9.031 ( -0.000 0.000 -1.197) 1.197 9.418 ( -0.000 0.000 -2.937) 2.937 9.730 ( -0.000 0.000 -0.948) 0.948 10.034 ( -0.000 0.000 -14.789) 14.789 10.050 ( -0.000 0.000 -11.916) 11.916 10.108 ( 0.000 -0.000 6.305) 6.305 10.667 ( -0.000 0.000 -10.862) 10.862 11.248 ( -0.000 0.000 -5.611) 5.611 11.369 ( 0.000 -0.000 3.254) 3.254 11.565 ( -0.000 0.000 -0.584) 0.584 11.696 ( -0.000 0.000 -0.103) 0.103 13.072 ( -0.000 0.000 -3.379) 3.379 13.094 ( 0.000 -0.000 5.221) 5.221 13.186 ( 0.000 -0.000 7.053) 7.053 13.364 ( -0.000 0.000 -11.920) 11.920 13.416 ( 0.000 -0.000 0.127) 0.127 14.503 ( -0.000 0.000 -22.431) 22.431 14.707 ( -0.000 0.000 -15.878) 15.878 15.154 ( 0.000 -0.000 38.216) 38.216 15.565 ( -0.000 0.000 -4.284) 4.284 16.339 ( 0.000 -0.000 15.542) 15.542 16.510 ( -0.000 0.000 -11.075) 11.075 16.859 ( -0.000 0.000 -4.779) 4.779 17.515 ( -0.000 0.000 -1.095) 1.095 19.796 ( 0.000 -0.000 18.539) 18.539 20.307 ( 0.000 -0.000 1.198) 1.198 20.749 ( -0.000 0.000 -1.003) 1.003 21.086 ( -0.000 0.000 -1.946) 1.946 22.711 ( -0.000 0.000 -5.140) 5.140 22.947 ( -0.000 0.000 -7.000) 7.000 24.152 ( 0.000 -0.000 5.556) 5.556 24.159 ( 0.000 -0.000 4.798) 4.798 24.400 ( -0.000 0.000 -5.648) 5.648 ======================= Grid point 55 (52/110) ======================= q-point: (-0.10 -0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( -11.732 20.039 -12.961) 26.593 3.376 ( 11.414 16.566 -15.278) 25.261 4.045 ( -10.204 -0.255 -14.177) 17.469 4.246 ( -0.977 1.709 11.220) 11.391 4.636 ( 1.531 -2.413 3.423) 4.459 4.784 ( -0.818 -11.997 -8.803) 14.902 5.075 ( 3.488 -8.376 -10.773) 14.085 5.286 ( -3.013 -5.536 -9.593) 11.478 5.433 ( 12.194 -0.191 -5.505) 13.380 5.983 ( 8.275 -5.553 -1.248) 10.044 6.152 ( -4.247 -0.762 -3.497) 5.554 6.262 ( 3.864 -2.459 -1.813) 4.926 6.535 ( -0.292 -2.948 -0.883) 3.091 6.832 ( -4.580 6.175 2.630) 8.126 7.123 ( -0.590 2.864 -0.172) 2.930 7.249 ( -2.961 -4.826 -0.346) 5.673 7.817 ( 14.136 -4.553 2.795) 15.112 8.020 ( 3.368 -0.437 -3.003) 4.534 8.447 ( 0.522 6.837 -11.819) 13.664 8.674 ( 3.915 -5.576 -5.327) 8.649 8.818 ( 1.180 18.626 -20.237) 27.530 9.102 ( -8.353 7.044 -0.689) 10.948 9.469 ( -0.544 -2.016 -3.528) 4.100 9.551 ( -10.188 -5.504 -6.490) 13.275 10.125 ( -2.556 12.008 -6.412) 13.851 10.272 ( -5.827 0.070 -4.691) 7.481 10.664 ( 1.495 0.929 -8.073) 8.262 10.893 ( -5.841 11.696 -3.914) 13.646 11.128 ( 2.414 0.310 -3.204) 4.024 11.632 ( -2.766 2.675 6.004) 7.131 11.874 ( -0.577 3.107 5.138) 6.032 12.016 ( 1.767 -3.086 4.870) 6.030 12.658 ( -3.239 -1.542 1.499) 3.888 12.985 ( -3.631 -8.800 10.108) 13.885 13.131 ( -2.816 1.485 14.917) 15.253 13.252 ( 0.438 -14.406 11.624) 18.516 13.554 ( 2.268 -4.278 -1.502) 5.070 13.994 ( 19.679 4.399 3.217) 20.420 14.464 ( 2.801 -17.982 27.071) 32.619 15.364 ( -8.886 5.609 -9.026) 13.852 15.736 ( 2.025 -2.251 -14.245) 14.563 16.306 ( -0.296 32.216 -26.135) 41.485 16.657 ( 10.247 11.538 -12.589) 19.915 17.661 ( -11.520 6.364 -11.655) 17.580 18.189 ( 4.425 4.871 -5.036) 8.287 18.841 ( -1.252 -27.755 -20.970) 34.808 20.331 ( -5.132 2.207 10.048) 11.497 20.770 ( -2.791 3.755 16.737) 17.378 21.819 ( 16.560 2.749 3.018) 17.056 22.362 ( -22.099 1.027 -0.298) 22.125 22.888 ( 0.101 2.831 -8.660) 9.112 23.517 ( -5.692 -1.031 4.131) 7.108 24.281 ( -2.466 -1.629 5.106) 5.900 24.647 ( 18.770 -7.995 11.520) 23.430 ======================= Grid point 60 (53/110) ======================= q-point: ( 0.11 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 0.000 42.154 0.000) 42.154 2.142 ( 0.000 48.062 0.000) 48.062 3.303 ( 0.000 66.535 0.000) 66.535 4.569 ( -0.000 -3.320 -0.000) 3.320 4.623 ( -0.000 -15.677 -0.000) 15.677 4.824 ( -0.000 -16.596 -0.000) 16.596 4.912 ( 0.000 5.027 0.000) 5.027 4.963 ( -0.000 -10.780 -0.000) 10.780 5.509 ( -0.000 -12.751 -0.000) 12.751 6.120 ( -0.000 -7.763 -0.000) 7.763 6.134 ( -0.000 -17.222 -0.000) 17.222 6.437 ( -0.000 -14.310 -0.000) 14.310 6.682 ( 0.000 2.726 0.000) 2.726 7.056 ( -0.000 -5.058 -0.000) 5.058 7.106 ( -0.000 -3.580 -0.000) 3.580 7.327 ( -0.000 -0.750 -0.000) 0.750 7.364 ( 0.000 21.609 0.000) 21.609 7.926 ( -0.000 -9.212 -0.000) 9.212 7.958 ( 0.000 5.759 0.000) 5.759 8.176 ( 0.000 5.749 0.000) 5.749 8.790 ( -0.000 -6.585 -0.000) 6.585 9.202 ( -0.000 -4.043 -0.000) 4.043 9.291 ( 0.000 4.271 0.000) 4.271 9.799 ( -0.000 -0.188 -0.000) 0.188 9.972 ( -0.000 -5.325 -0.000) 5.325 10.170 ( 0.000 10.778 0.000) 10.778 10.371 ( 0.000 8.049 0.000) 8.049 10.623 ( 0.000 13.445 0.000) 13.445 11.052 ( -0.000 -6.199 -0.000) 6.199 11.703 ( 0.000 8.426 0.000) 8.426 11.703 ( 0.000 8.795 0.000) 8.795 12.072 ( 0.000 3.896 0.000) 3.896 12.784 ( -0.000 -9.845 -0.000) 9.845 13.045 ( 0.000 6.396 0.000) 6.396 13.295 ( 0.000 0.383 0.000) 0.383 13.377 ( 0.000 12.151 0.000) 12.151 13.848 ( 0.000 4.470 0.000) 4.470 14.353 ( -0.000 -9.904 -0.000) 9.904 14.810 ( -0.000 -6.003 -0.000) 6.003 14.824 ( 0.000 1.217 0.000) 1.217 15.838 ( -0.000 -6.977 -0.000) 6.977 15.939 ( 0.000 12.639 0.000) 12.639 16.120 ( -0.000 -11.667 -0.000) 11.667 17.269 ( 0.000 11.432 0.000) 11.432 17.915 ( 0.000 2.621 0.000) 2.621 18.810 ( -0.000 -21.300 -0.000) 21.300 20.803 ( -0.000 -4.214 -0.000) 4.214 20.835 ( 0.000 4.617 0.000) 4.617 21.952 ( 0.000 0.022 0.000) 0.022 22.180 ( 0.000 5.503 0.000) 5.503 22.786 ( 0.000 4.747 0.000) 4.747 24.058 ( -0.000 -5.927 -0.000) 5.927 24.401 ( -0.000 -6.784 -0.000) 6.784 24.491 ( 0.000 6.521 0.000) 6.521 ======================= Grid point 61 (54/110) ======================= q-point: ( 0.11 -0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 0.498 -7.053 -0.000) 7.071 3.261 ( 13.776 -18.863 -0.000) 23.358 3.732 ( -11.699 -14.650 -0.000) 18.748 4.104 ( 4.493 8.599 0.000) 9.703 4.530 ( -6.648 13.245 0.000) 14.820 4.629 ( -8.207 14.896 0.000) 17.007 4.767 ( 9.878 -2.409 0.000) 10.167 5.000 ( -4.161 -3.154 -0.000) 5.222 5.793 ( 16.762 14.706 0.000) 22.298 5.844 ( 6.104 2.703 0.000) 6.676 6.024 ( -14.948 -5.364 -0.000) 15.882 6.163 ( -3.616 8.486 0.000) 9.224 6.492 ( -7.883 4.155 -0.000) 8.911 6.815 ( -2.946 -5.494 -0.000) 6.235 7.072 ( 11.559 -3.610 0.000) 12.110 7.344 ( -8.563 -0.420 -0.000) 8.574 7.862 ( -5.641 -1.145 -0.000) 5.756 7.983 ( -3.819 -0.209 -0.000) 3.825 8.340 ( 6.461 -2.929 0.000) 7.094 8.382 ( 7.218 0.275 0.000) 7.223 8.673 ( -4.486 2.020 -0.000) 4.920 8.990 ( 5.819 -5.941 -0.000) 8.316 9.144 ( -1.921 1.821 0.000) 2.647 9.522 ( -3.226 4.353 0.000) 5.418 9.831 ( 0.175 0.318 0.000) 0.364 10.230 ( 4.983 -14.197 -0.000) 15.046 10.744 ( 4.631 -1.472 0.000) 4.860 11.095 ( 8.286 -35.997 -0.000) 36.938 11.195 ( -7.100 0.715 -0.000) 7.136 11.597 ( 7.586 2.796 0.000) 8.085 12.038 ( -8.210 4.689 -0.000) 9.455 12.381 ( -7.320 11.229 0.000) 13.404 12.558 ( -1.708 21.442 0.000) 21.510 12.754 ( 3.355 -1.368 0.000) 3.623 13.220 ( -0.156 0.568 0.000) 0.589 13.319 ( 5.917 0.801 0.000) 5.971 14.101 ( 0.367 -23.491 -0.000) 23.494 14.539 ( -8.827 5.467 -0.000) 10.383 14.730 ( -0.649 19.987 0.000) 19.997 14.984 ( -1.683 -3.377 -0.000) 3.773 15.131 ( 3.812 2.830 0.000) 4.748 16.652 ( 3.149 -13.191 -0.000) 13.562 16.813 ( 0.729 -22.616 -0.000) 22.628 17.182 ( -3.583 -6.712 -0.000) 7.608 17.557 ( 0.065 37.618 0.000) 37.618 18.091 ( 0.422 0.650 0.000) 0.775 20.409 ( -2.679 -2.792 -0.000) 3.869 21.173 ( 15.931 -5.353 0.000) 16.806 21.955 ( 0.202 -0.055 0.000) 0.210 22.354 ( -12.255 0.723 -0.000) 12.276 22.764 ( -4.675 -1.884 -0.000) 5.040 23.596 ( -2.573 -1.502 -0.000) 2.979 24.271 ( 17.719 -8.528 0.000) 19.664 25.031 ( -10.234 14.318 0.000) 17.599 ======================= Grid point 62 (55/110) ======================= q-point: ( 0.11 -0.11 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -32.246 -19.941 -0.000) 37.914 1.478 ( -37.505 -26.224 -0.000) 45.764 2.770 ( -59.989 -60.410 -0.000) 85.136 4.527 ( 5.465 1.058 0.000) 5.567 4.655 ( 5.031 -0.204 0.000) 5.035 4.740 ( 1.105 -2.915 -0.000) 3.118 5.112 ( 16.957 19.979 0.000) 26.205 5.176 ( 3.274 8.671 0.000) 9.269 5.644 ( -0.720 8.309 0.000) 8.340 6.071 ( 8.494 1.881 0.000) 8.700 6.527 ( -2.527 -7.423 -0.000) 7.842 6.666 ( -0.741 -0.453 -0.000) 0.868 6.801 ( -7.834 7.192 0.000) 10.635 6.988 ( -7.616 -0.446 -0.000) 7.630 7.079 ( 8.328 2.856 0.000) 8.804 7.241 ( 6.676 4.383 0.000) 7.986 7.397 ( 1.357 22.013 0.000) 22.055 7.709 ( 3.569 -12.312 -0.000) 12.818 8.249 ( -13.358 1.542 -0.000) 13.446 8.533 ( -14.917 3.639 -0.000) 15.355 8.578 ( 4.177 -15.851 -0.000) 16.392 8.919 ( 0.022 -3.933 -0.000) 3.933 9.089 ( 37.770 -2.532 0.000) 37.855 9.473 ( 5.694 4.065 0.000) 6.996 9.960 ( 14.791 -9.874 0.000) 17.784 10.027 ( -0.952 2.538 0.000) 2.711 10.357 ( -1.025 -4.519 -0.000) 4.634 10.773 ( -16.815 13.186 0.000) 21.368 10.995 ( 9.146 1.836 0.000) 9.328 11.536 ( -0.714 -2.496 -0.000) 2.596 11.701 ( -3.786 -14.504 -0.000) 14.990 11.884 ( -14.288 -3.184 -0.000) 14.639 12.893 ( 4.188 4.536 0.000) 6.174 13.080 ( -0.560 1.345 0.000) 1.457 13.116 ( 0.445 -1.499 -0.000) 1.564 13.473 ( -4.300 -16.756 -0.000) 17.299 13.616 ( 8.786 -6.063 -0.000) 10.675 14.076 ( -0.156 -16.786 -0.000) 16.787 14.837 ( 1.288 0.202 0.000) 1.304 15.427 ( -5.441 27.949 0.000) 28.473 15.943 ( -3.118 -0.283 -0.000) 3.131 16.336 ( -9.945 21.383 0.000) 23.582 16.384 ( -10.989 19.264 0.000) 22.178 16.947 ( -0.862 -4.227 -0.000) 4.314 17.914 ( -2.917 -2.176 -0.000) 3.639 19.144 ( -0.219 10.846 0.000) 10.848 20.402 ( 16.340 -2.989 0.000) 16.611 20.845 ( 28.013 -28.562 -0.000) 40.006 21.770 ( -13.330 -12.155 -0.000) 18.039 21.953 ( 0.003 -0.027 -0.000) 0.027 22.592 ( 1.651 0.803 0.000) 1.836 23.158 ( 9.014 -21.848 -0.000) 23.635 24.213 ( 9.238 -2.791 0.000) 9.650 25.933 ( -27.152 34.060 0.000) 43.558 ======================= Grid point 63 (56/110) ======================= q-point: ( 0.22 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 0.000 33.660 18.117) 38.226 3.086 ( 0.000 25.064 9.001) 26.631 4.117 ( -0.000 -12.308 2.772) 12.617 4.437 ( 0.000 4.438 -2.068) 4.896 4.565 ( 0.000 13.017 14.056) 19.157 4.709 ( -0.000 -1.745 -5.409) 5.683 4.793 ( -0.000 -4.877 -2.858) 5.653 4.814 ( -0.000 -11.981 8.296) 14.573 5.372 ( 0.000 -13.148 13.930) 19.155 5.834 ( -0.000 -10.182 -0.408) 10.190 6.102 ( 0.000 -0.596 1.026) 1.187 6.169 ( 0.000 4.144 -0.316) 4.156 6.663 ( -0.000 -8.183 -2.520) 8.562 6.873 ( -0.000 -8.162 3.338) 8.818 7.219 ( -0.000 -0.100 -2.978) 2.979 7.302 ( 0.000 12.084 3.771) 12.659 7.642 ( -0.000 -8.005 -6.790) 10.497 7.993 ( 0.000 0.614 0.393) 0.729 8.084 ( 0.000 17.750 15.366) 23.478 8.401 ( 0.000 5.385 10.866) 12.128 8.702 ( 0.000 1.520 -0.796) 1.716 9.229 ( 0.000 2.435 6.312) 6.766 9.272 ( -0.000 -10.992 5.961) 12.504 9.649 ( -0.000 -10.634 -1.691) 10.767 10.056 ( 0.000 3.525 6.524) 7.415 10.359 ( 0.000 5.586 1.176) 5.708 10.564 ( 0.000 9.149 -3.732) 9.881 10.910 ( 0.000 14.116 0.897) 14.144 11.018 ( 0.000 0.936 4.102) 4.207 11.848 ( 0.000 7.091 -3.400) 7.864 11.850 ( 0.000 7.251 -5.365) 9.020 12.063 ( -0.000 -3.902 1.477) 4.172 12.613 ( -0.000 -12.378 4.335) 13.115 13.152 ( -0.000 3.680 -6.142) 7.161 13.281 ( -0.000 -10.846 2.064) 11.041 13.585 ( 0.000 19.331 -14.507) 24.169 13.630 ( -0.000 -29.445 -3.110) 29.608 13.838 ( 0.000 12.232 -11.861) 17.039 14.836 ( -0.000 -13.155 -14.244) 19.389 15.053 ( 0.000 7.285 17.109) 18.596 15.728 ( -0.000 -7.412 5.635) 9.311 16.058 ( 0.000 25.629 -0.524) 25.634 16.272 ( 0.000 10.890 8.023) 13.527 17.572 ( 0.000 3.836 13.087) 13.637 18.006 ( 0.000 2.873 4.408) 5.262 18.473 ( -0.000 -29.438 17.750) 34.376 20.647 ( -0.000 -3.280 -7.049) 7.775 20.881 ( -0.000 2.346 -4.126) 4.746 21.785 ( -0.000 4.243 -11.377) 12.142 22.501 ( 0.000 2.421 13.640) 13.853 22.863 ( 0.000 2.870 -0.454) 2.905 23.930 ( -0.000 -5.757 -0.450) 5.774 24.108 ( -0.000 -7.762 -12.732) 14.911 24.613 ( 0.000 7.992 -3.534) 8.739 ======================= Grid point 64 (57/110) ======================= q-point: ( 0.22 -0.12 -0.55) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 1.935 -22.668 9.226) 24.550 3.366 ( 0.504 0.973 8.297) 8.369 3.546 ( -4.253 -10.720 18.658) 21.934 4.321 ( 2.210 3.436 0.351) 4.101 4.614 ( 9.065 0.810 0.345) 9.108 4.789 ( -1.913 -1.620 -4.974) 5.570 4.878 ( 1.768 7.052 8.696) 11.335 5.153 ( -7.659 15.506 2.519) 17.477 5.753 ( -2.389 1.448 -7.093) 7.623 6.012 ( -0.830 5.466 -0.552) 5.556 6.110 ( -3.236 12.361 0.035) 12.777 6.370 ( -8.911 -3.042 4.023) 10.239 6.666 ( 4.816 5.514 0.110) 7.322 6.756 ( -14.838 2.667 4.285) 15.673 6.967 ( 6.655 -2.751 4.017) 8.246 7.310 ( -8.928 -2.990 0.632) 9.436 7.789 ( 5.621 -1.594 1.653) 6.072 8.096 ( -2.089 -17.660 16.207) 24.061 8.164 ( -3.125 0.926 1.646) 3.651 8.512 ( 7.699 -2.797 7.088) 10.832 8.758 ( 10.833 -0.281 5.091) 11.973 9.028 ( -0.661 4.122 1.496) 4.435 9.195 ( -11.249 -5.180 6.999) 14.226 9.404 ( 5.884 -5.718 -6.042) 10.190 9.909 ( 12.364 -11.029 2.426) 16.744 10.030 ( -0.478 7.844 7.115) 10.600 10.481 ( 5.605 -17.973 1.598) 18.895 10.725 ( 5.663 -5.570 -0.077) 7.944 11.201 ( -6.236 -2.955 2.232) 7.253 11.603 ( 5.791 -2.419 1.946) 6.571 12.073 ( -8.365 4.783 -8.458) 12.821 12.246 ( -5.113 -3.320 -8.301) 10.299 12.590 ( 3.616 -5.386 -1.625) 6.687 13.083 ( 9.994 9.292 -15.633) 20.751 13.234 ( -5.432 3.765 8.763) 10.976 13.466 ( 0.345 -16.451 -12.595) 20.722 13.620 ( 1.650 31.868 -5.089) 32.314 14.499 ( -17.924 -6.624 2.031) 19.217 14.914 ( -1.343 9.018 -8.949) 12.776 15.028 ( 4.104 -2.097 7.386) 8.706 15.475 ( 1.865 14.914 8.752) 17.393 16.029 ( 0.377 -25.814 0.059) 25.817 16.773 ( -10.196 -12.941 5.374) 17.329 17.141 ( 10.544 -3.422 11.936) 16.289 18.150 ( -2.421 -0.334 6.052) 6.527 18.445 ( 1.100 28.130 15.750) 32.258 20.321 ( 1.589 -4.464 -1.547) 4.985 20.890 ( 14.891 -10.420 -11.971) 21.763 21.934 ( 5.184 -0.271 -1.769) 5.484 22.358 ( -18.047 -1.222 0.649) 18.099 22.759 ( -2.815 -3.362 5.829) 7.294 23.528 ( -1.462 -2.917 -1.848) 3.750 24.078 ( 17.164 -5.514 -3.148) 18.301 25.288 ( -12.567 18.205 -8.962) 23.868 ======================= Grid point 65 (58/110) ======================= q-point: ( 0.22 -0.12 -0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -34.547 -0.000 25.168) 42.743 1.505 ( -42.484 -0.000 24.959) 49.273 2.570 ( -59.339 -0.000 54.562) 80.611 4.526 ( 0.059 0.000 -6.688) 6.689 4.548 ( 8.612 0.000 -11.560) 14.415 5.027 ( 16.324 0.000 20.852) 26.482 5.245 ( 0.261 -0.000 1.811) 1.829 5.461 ( 21.015 0.000 5.582) 21.744 5.805 ( 13.571 0.000 5.231) 14.544 6.126 ( 8.880 0.000 0.628) 8.902 6.413 ( -1.141 -0.000 8.497) 8.574 6.654 ( -5.521 -0.000 -13.765) 14.831 6.789 ( 3.238 0.000 -0.877) 3.355 7.093 ( 9.974 0.000 2.297) 10.235 7.128 ( -8.884 -0.000 -2.352) 9.190 7.216 ( -10.078 -0.000 7.201) 12.386 7.607 ( 8.013 0.000 0.845) 8.057 8.049 ( 3.302 0.000 8.311) 8.943 8.081 ( 2.234 -0.000 13.806) 13.985 8.322 ( -16.255 -0.000 -3.025) 16.534 8.645 ( -8.161 -0.000 2.667) 8.586 8.915 ( 5.476 0.000 2.863) 6.179 9.194 ( 34.324 0.000 9.881) 35.718 9.594 ( 7.937 0.000 2.763) 8.404 9.851 ( 13.780 0.000 3.837) 14.304 10.054 ( -3.263 -0.000 -1.949) 3.801 10.213 ( 0.368 0.000 -5.869) 5.880 10.805 ( -16.541 -0.000 -19.449) 25.532 11.018 ( 8.223 0.000 7.685) 11.255 11.498 ( -17.030 -0.000 -3.683) 17.423 11.500 ( 2.869 0.000 2.066) 3.535 11.842 ( -12.117 -0.000 -0.893) 12.150 13.006 ( 0.927 0.000 1.211) 1.525 13.070 ( 5.357 0.000 4.480) 6.983 13.178 ( -0.058 -0.000 4.615) 4.615 13.369 ( -1.196 -0.000 9.409) 9.485 13.475 ( 3.594 0.000 -3.259) 4.852 14.081 ( -0.707 -0.000 19.057) 19.070 14.792 ( -7.758 -0.000 -2.517) 8.156 15.646 ( -6.706 -0.000 0.850) 6.760 15.807 ( 0.473 0.000 -28.648) 28.652 16.356 ( 2.788 0.000 -8.343) 8.797 16.638 ( 3.937 0.000 9.812) 10.573 17.107 ( -26.563 -0.000 -37.921) 46.299 17.517 ( -3.528 -0.000 3.683) 5.100 19.858 ( 24.572 0.000 24.834) 34.935 19.967 ( 7.828 0.000 -3.538) 8.591 20.377 ( 12.422 0.000 -4.058) 13.068 21.641 ( -32.045 -0.000 1.100) 32.063 22.149 ( 21.619 0.000 10.435) 24.005 22.834 ( 0.715 -0.000 3.697) 3.765 22.960 ( 5.247 -0.000 24.722) 25.273 24.210 ( 9.321 0.000 2.615) 9.681 25.941 ( -28.548 -0.000 -36.846) 46.611 ======================= Grid point 66 (59/110) ======================= q-point: ( 0.32 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( 0.000 -2.785 7.773) 8.257 3.580 ( 0.000 5.819 2.655) 6.396 4.239 ( 0.000 -2.854 8.410) 8.881 4.401 ( 0.000 4.267 -0.031) 4.267 4.574 ( -0.000 -5.368 4.960) 7.308 4.586 ( 0.000 5.159 3.092) 6.015 4.867 ( 0.000 0.266 15.999) 16.001 5.121 ( 0.000 -5.102 10.251) 11.450 5.287 ( -0.000 -4.426 3.627) 5.722 5.705 ( -0.000 -1.668 -1.065) 1.979 6.228 ( 0.000 7.665 4.833) 9.062 6.322 ( -0.000 -14.366 -4.213) 14.971 6.667 ( 0.000 19.675 9.995) 22.068 6.870 ( 0.000 -0.914 3.941) 4.046 7.179 ( -0.000 -2.138 -0.308) 2.160 7.250 ( -0.000 -8.075 -0.500) 8.090 7.773 ( 0.000 19.264 0.079) 19.264 7.842 ( -0.000 -2.447 -7.402) 7.796 8.402 ( -0.000 1.453 -2.736) 3.098 8.754 ( 0.000 1.253 12.150) 12.215 9.132 ( 0.000 7.433 23.382) 24.535 9.197 ( 0.000 -5.486 8.252) 9.909 9.317 ( -0.000 -15.810 -0.975) 15.840 9.582 ( 0.000 14.172 15.312) 20.864 10.180 ( 0.000 -10.598 14.757) 18.168 10.464 ( 0.000 1.139 5.195) 5.318 10.751 ( 0.000 9.225 1.071) 9.287 11.082 ( -0.000 5.097 -5.467) 7.474 11.218 ( 0.000 12.085 0.252) 12.087 11.706 ( -0.000 -18.210 -0.405) 18.215 11.720 ( -0.000 -4.780 -10.240) 11.301 12.142 ( 0.000 13.538 -5.982) 14.801 12.213 ( -0.000 -20.816 -8.340) 22.425 12.799 ( -0.000 -9.371 -5.205) 10.719 12.885 ( -0.000 -8.172 -9.079) 12.215 13.628 ( 0.000 -0.612 12.768) 12.782 13.630 ( -0.000 22.242 -24.599) 33.164 14.004 ( 0.000 20.633 -11.151) 23.453 14.009 ( -0.000 -21.280 -23.518) 31.716 15.527 ( -0.000 -10.800 -2.376) 11.058 15.690 ( 0.000 6.798 30.480) 31.229 16.701 ( 0.000 7.947 16.281) 18.117 16.972 ( 0.000 27.426 19.888) 33.878 17.928 ( 0.000 5.818 17.441) 18.386 18.085 ( -0.000 -20.085 17.566) 26.683 18.330 ( 0.000 -9.692 11.895) 15.343 20.428 ( -0.000 -0.883 -10.823) 10.859 20.727 ( -0.000 -3.477 -11.867) 12.366 21.711 ( -0.000 3.538 -5.211) 6.298 22.662 ( -0.000 -1.394 -0.401) 1.451 22.959 ( 0.000 2.434 6.738) 7.164 23.671 ( -0.000 -5.968 -15.789) 16.879 23.817 ( -0.000 -4.454 -0.100) 4.455 24.669 ( 0.000 8.954 -8.778) 12.539 ======================= Grid point 67 (60/110) ======================= q-point: ( 0.32 -0.12 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -7.979 -11.170 13.847) 19.498 3.493 ( -22.677 -13.624 20.697) 33.589 3.825 ( 13.881 1.215 10.905) 17.694 4.180 ( 2.588 -2.404 -12.999) 13.471 4.631 ( 5.034 1.292 0.709) 5.245 4.866 ( 9.645 5.505 11.022) 15.647 5.240 ( 1.996 6.609 8.497) 10.948 5.368 ( -4.701 2.742 1.533) 5.654 5.699 ( -0.219 2.197 -2.241) 3.146 6.048 ( -9.919 -10.625 10.929) 18.186 6.290 ( -8.073 -0.332 -5.167) 9.591 6.377 ( -4.464 11.455 -2.728) 12.593 6.647 ( -1.925 0.616 1.912) 2.782 6.974 ( -9.646 9.158 -0.803) 13.325 7.084 ( 3.186 8.197 -1.966) 9.011 7.449 ( -2.523 9.180 4.319) 10.455 7.862 ( 6.018 -0.684 5.352) 8.083 7.969 ( -0.641 -24.043 27.273) 36.363 8.297 ( 7.321 -4.389 4.057) 9.451 8.563 ( 1.934 -1.532 8.429) 8.783 8.741 ( 4.008 -6.389 3.777) 8.435 9.045 ( 0.739 -2.636 -0.812) 2.855 9.221 ( -7.067 1.588 1.328) 7.364 9.375 ( 3.870 -2.734 10.310) 11.347 9.923 ( 12.409 -2.018 6.159) 13.999 10.145 ( 4.944 -1.013 -1.309) 5.213 10.393 ( 1.602 -9.924 8.391) 13.094 10.604 ( 6.349 -5.681 5.085) 9.922 11.168 ( -2.387 -4.472 4.364) 6.689 11.585 ( -0.897 -4.210 1.433) 4.536 11.891 ( -6.914 2.024 -11.820) 13.843 12.099 ( -5.058 -1.725 -5.010) 7.325 12.480 ( 9.446 0.355 -3.960) 10.248 12.839 ( 6.633 0.552 -16.088) 17.411 12.958 ( 4.187 1.263 -7.683) 8.841 13.586 ( -5.245 1.282 16.384) 17.251 14.193 ( -6.669 29.727 -11.427) 32.539 14.416 ( -14.485 -3.188 2.435) 15.031 14.833 ( -1.246 11.935 -25.362) 28.058 15.097 ( 4.648 -1.309 4.432) 6.554 15.691 ( -0.230 -18.323 20.076) 27.182 15.972 ( -5.157 9.548 8.899) 14.033 16.543 ( -3.096 -16.254 7.887) 18.330 17.244 ( 8.079 -9.269 5.840) 13.612 18.132 ( -3.233 -9.953 1.137) 10.527 19.288 ( 1.978 19.415 18.624) 26.976 20.146 ( 3.583 -5.761 -9.377) 11.574 20.342 ( 13.274 -14.246 -13.121) 23.480 21.876 ( 10.696 -1.114 -2.643) 11.074 22.360 ( -24.352 1.697 0.277) 24.413 22.859 ( -0.461 -0.735 9.054) 9.096 23.456 ( -1.117 -2.931 2.214) 3.839 23.979 ( 16.607 -1.109 0.371) 16.649 25.411 ( -13.871 17.159 -16.728) 27.689 ======================= Grid point 69 (61/110) ======================= q-point: ( 0.43 -0.13 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.323 ( -0.000 -17.241 -0.800) 17.260 3.534 ( 0.000 8.285 3.353) 8.938 4.266 ( -0.000 -4.877 3.138) 5.799 4.483 ( 0.000 1.068 1.653) 1.968 4.783 ( 0.000 12.948 10.167) 16.463 4.805 ( 0.000 -3.565 13.664) 14.121 5.052 ( -0.000 -8.453 8.437) 11.943 5.235 ( 0.000 3.947 0.899) 4.048 5.456 ( 0.000 2.166 8.361) 8.637 5.769 ( 0.000 7.902 0.252) 7.906 6.048 ( -0.000 -4.026 2.551) 4.766 6.389 ( 0.000 7.753 -7.746) 10.959 6.794 ( -0.000 -4.294 1.775) 4.647 6.905 ( -0.000 -3.027 -2.101) 3.685 7.107 ( 0.000 -4.262 4.438) 6.153 7.455 ( 0.000 5.928 6.656) 8.913 7.746 ( 0.000 7.737 -6.634) 10.191 8.242 ( 0.000 13.609 10.576) 17.235 8.375 ( -0.000 9.503 -10.050) 13.831 8.611 ( -0.000 -12.298 -3.812) 12.875 9.127 ( 0.000 -0.805 2.116) 2.264 9.470 ( 0.000 -1.521 9.900) 10.016 9.552 ( 0.000 6.892 16.207) 17.612 10.109 ( 0.000 -8.136 20.820) 22.353 10.239 ( 0.000 -27.739 29.141) 40.233 10.686 ( -0.000 -4.501 -3.840) 5.917 10.795 ( 0.000 -16.267 17.138) 23.629 10.960 ( 0.000 -4.848 7.921) 9.287 11.078 ( -0.000 3.002 -19.218) 19.451 11.437 ( -0.000 3.953 -5.179) 6.515 11.597 ( 0.000 9.005 -2.599) 9.373 11.893 ( -0.000 -2.275 -1.641) 2.805 12.314 ( 0.000 27.283 -21.516) 34.747 12.609 ( -0.000 -4.035 -2.975) 5.013 12.716 ( 0.000 -5.651 7.622) 9.488 13.060 ( -0.000 -19.082 -24.006) 30.666 13.506 ( -0.000 18.422 -32.060) 36.976 13.981 ( 0.000 0.728 16.090) 16.107 14.183 ( 0.000 18.259 -12.700) 22.242 15.249 ( -0.000 -9.239 -4.482) 10.269 16.385 ( 0.000 0.850 31.938) 31.949 17.155 ( 0.000 -1.461 21.243) 21.293 17.517 ( 0.000 -8.961 18.242) 20.324 17.939 ( -0.000 -29.092 22.103) 36.536 18.357 ( -0.000 -1.491 -1.115) 1.862 18.687 ( 0.000 26.919 22.765) 35.254 20.210 ( -0.000 1.116 -11.789) 11.842 20.248 ( -0.000 -11.151 -22.825) 25.403 21.704 ( -0.000 1.095 -1.794) 2.102 22.530 ( -0.000 -0.093 -7.901) 7.902 23.108 ( 0.000 -2.430 5.818) 6.305 23.390 ( -0.000 3.344 -7.380) 8.102 23.752 ( -0.000 -2.588 1.059) 2.796 24.667 ( -0.000 10.870 -11.873) 16.098 ======================= Grid point 70 (62/110) ======================= q-point: ( 0.43 -0.13 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( -6.907 -1.663 12.141) 14.067 3.518 ( -17.061 -14.876 13.698) 26.457 3.839 ( -2.762 -2.959 -6.267) 7.461 4.070 ( -0.910 -2.685 12.934) 13.241 4.816 ( 15.942 10.084 2.028) 18.972 5.034 ( 10.446 -0.961 -1.524) 10.600 5.344 ( 15.212 -7.525 -1.431) 17.032 5.456 ( 0.432 2.421 0.689) 2.554 5.760 ( 2.793 3.263 6.787) 8.032 5.988 ( -12.541 -4.104 0.910) 13.227 6.218 ( -15.974 -1.153 4.066) 16.524 6.675 ( -9.430 11.104 -4.199) 15.161 6.749 ( -1.651 5.240 5.887) 8.052 6.938 ( 4.267 2.266 -2.496) 5.438 7.230 ( -6.834 1.215 -1.628) 7.129 7.704 ( -9.263 11.061 -2.709) 14.680 7.934 ( -1.428 -0.497 6.386) 6.562 8.111 ( -2.582 -6.275 18.015) 19.250 8.361 ( 6.478 0.467 6.985) 9.538 8.644 ( -1.228 -1.474 1.836) 2.655 8.735 ( 9.225 -7.962 8.266) 14.725 9.057 ( 4.242 -1.430 5.622) 7.187 9.213 ( 11.196 -4.753 3.789) 12.739 9.528 ( -5.848 -2.678 5.621) 8.541 9.797 ( 7.054 -8.765 -0.906) 11.287 10.164 ( 10.474 -0.560 4.080) 11.254 10.290 ( 5.398 -9.117 3.464) 11.147 10.722 ( 1.807 -5.437 25.162) 25.806 11.280 ( -4.611 5.457 3.963) 8.169 11.458 ( 3.033 -4.807 -0.785) 5.738 11.780 ( -8.088 2.217 -5.902) 10.255 11.901 ( -12.484 -5.804 -8.170) 16.009 12.467 ( 14.009 7.929 -5.793) 17.108 12.678 ( 11.286 0.095 -5.331) 12.482 13.184 ( 1.114 14.725 11.106) 18.477 13.914 ( -11.036 3.033 8.869) 14.480 14.234 ( -14.254 -1.351 -2.338) 14.507 14.313 ( -2.720 3.726 -34.768) 35.072 14.643 ( -1.446 15.702 -9.746) 18.537 15.151 ( 4.217 3.686 -3.587) 6.651 16.003 ( -3.334 -5.201 30.717) 31.332 16.118 ( -8.248 -7.937 12.451) 16.913 16.573 ( 7.010 -2.229 9.071) 11.679 16.945 ( 5.352 -16.855 -3.084) 17.951 17.808 ( -2.907 -13.781 -5.674) 15.184 19.470 ( -0.493 -8.505 -30.045) 31.230 19.924 ( 3.845 7.331 11.120) 13.863 20.135 ( 11.142 -4.047 5.089) 12.900 21.806 ( 16.149 -0.524 -2.304) 16.321 22.442 ( -29.946 3.336 1.667) 30.177 23.061 ( 0.499 1.835 9.897) 10.078 23.496 ( -0.361 -0.421 4.096) 4.133 24.034 ( 18.629 1.174 4.720) 19.253 25.344 ( -14.696 9.655 -19.046) 25.922 ======================= Grid point 72 (63/110) ======================= q-point: (-0.47 0.87 0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.088 ( -0.000 -9.670 7.303) 12.118 3.530 ( -0.000 -0.195 -10.217) 10.219 4.450 ( -0.000 -0.304 -5.379) 5.388 4.493 ( 0.000 1.503 17.849) 17.912 4.959 ( 0.000 -5.056 10.486) 11.641 5.058 ( 0.000 -3.540 6.206) 7.145 5.168 ( -0.000 0.933 -3.247) 3.379 5.194 ( 0.000 3.457 7.000) 7.807 5.674 ( 0.000 5.470 8.474) 10.086 5.805 ( -0.000 8.148 -9.760) 12.715 6.231 ( 0.000 -3.679 6.827) 7.755 6.350 ( 0.000 7.010 -6.962) 9.879 6.639 ( -0.000 -1.153 -7.136) 7.228 6.788 ( -0.000 -3.823 1.708) 4.187 7.364 ( 0.000 12.952 7.459) 14.946 7.535 ( -0.000 3.471 -5.525) 6.525 7.787 ( 0.000 4.399 -4.204) 6.085 8.063 ( -0.000 -12.942 -7.168) 14.795 8.399 ( 0.000 10.208 -9.850) 14.186 8.931 ( 0.000 10.944 13.733) 17.560 9.133 ( -0.000 -3.965 0.456) 3.991 9.565 ( 0.000 -2.346 5.502) 5.981 9.920 ( -0.000 -11.923 8.429) 14.602 10.023 ( 0.000 -13.877 18.446) 23.083 10.050 ( -0.000 -25.479 10.381) 27.513 10.544 ( 0.000 -10.415 14.684) 18.003 10.623 ( -0.000 -3.550 -11.524) 12.058 10.838 ( 0.000 4.158 11.153) 11.903 11.447 ( 0.000 -2.616 12.678) 12.945 11.522 ( -0.000 -10.063 -6.667) 12.071 11.565 ( 0.000 7.641 0.269) 7.646 12.048 ( 0.000 11.033 7.940) 13.593 12.336 ( -0.000 11.717 -19.061) 22.374 12.375 ( -0.000 -10.257 -7.149) 12.502 12.687 ( 0.000 12.669 5.307) 13.735 12.833 ( 0.000 7.488 -7.113) 10.328 13.260 ( -0.000 19.522 -27.021) 33.335 14.232 ( -0.000 14.038 -17.683) 22.578 14.268 ( 0.000 0.106 10.714) 10.714 15.011 ( -0.000 -6.899 -0.928) 6.961 16.881 ( 0.000 -6.544 21.838) 22.798 17.315 ( -0.000 -10.556 5.125) 11.735 17.515 ( -0.000 -21.364 16.907) 27.244 17.770 ( -0.000 -27.401 23.505) 36.101 18.219 ( -0.000 -8.386 0.959) 8.441 19.327 ( -0.000 -11.300 -30.141) 32.189 19.699 ( 0.000 16.210 14.559) 21.788 20.053 ( -0.000 3.159 -8.400) 8.975 21.629 ( -0.000 -3.710 -3.509) 5.107 22.501 ( 0.000 9.317 -3.302) 9.885 23.167 ( 0.000 0.421 5.980) 5.994 23.430 ( 0.000 5.648 -2.852) 6.327 23.754 ( 0.000 -0.736 2.643) 2.744 24.681 ( 0.000 12.425 -11.776) 17.119 ======================= Grid point 74 (64/110) ======================= q-point: ( 0.53 -0.13 -0.53) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( -0.338 -0.000 11.593) 11.598 3.363 ( -1.834 0.000 -11.120) 11.271 3.999 ( -17.417 -0.000 23.765) 29.464 4.306 ( -5.999 -0.000 11.956) 13.376 4.705 ( 10.962 0.000 -12.953) 16.969 5.148 ( 16.226 0.000 6.270) 17.396 5.249 ( 16.864 0.000 6.221) 17.975 5.299 ( -4.446 0.000 -15.335) 15.966 5.895 ( -1.545 -0.000 -0.343) 1.582 6.077 ( -16.600 -0.000 -1.665) 16.684 6.139 ( 11.097 0.000 2.057) 11.286 6.697 ( -11.160 -0.000 -2.941) 11.541 6.875 ( 17.993 0.000 -2.963) 18.235 6.931 ( 4.941 0.000 -3.989) 6.350 7.371 ( -34.755 -0.000 14.569) 37.685 7.576 ( -16.658 -0.000 -15.427) 22.704 8.226 ( 7.965 0.000 2.802) 8.443 8.282 ( -0.815 -0.000 14.597) 14.620 8.466 ( -3.794 -0.000 -1.241) 3.992 8.611 ( -8.731 -0.000 0.613) 8.752 8.765 ( 13.619 0.000 10.668) 17.300 9.043 ( 13.107 0.000 -2.175) 13.286 9.239 ( 12.291 0.000 0.775) 12.315 9.455 ( -13.762 -0.000 0.311) 13.765 9.861 ( 18.450 0.000 9.798) 20.891 10.273 ( -3.528 -0.000 8.335) 9.051 10.318 ( 11.833 0.000 12.171) 16.975 11.259 ( 5.946 0.000 -6.948) 9.145 11.262 ( -1.078 -0.000 25.684) 25.707 11.425 ( -12.823 -0.000 -14.267) 19.182 11.732 ( -12.775 -0.000 12.543) 17.903 11.847 ( -2.666 -0.000 11.982) 12.276 12.371 ( 8.064 0.000 -12.538) 14.908 12.739 ( 19.946 0.000 9.443) 22.068 13.455 ( -0.237 0.000 -48.697) 48.697 13.691 ( 1.400 -0.000 18.684) 18.736 13.873 ( -24.700 -0.000 -11.802) 27.374 14.528 ( -8.347 -0.000 21.964) 23.497 14.545 ( -0.314 0.000 -19.013) 19.015 15.021 ( 9.332 0.000 -16.541) 18.992 16.152 ( -13.435 -0.000 11.955) 17.983 16.373 ( 9.614 0.000 -11.815) 15.232 16.750 ( 3.788 -0.000 33.982) 34.192 17.002 ( 2.625 -0.000 28.164) 28.286 17.501 ( -2.882 0.000 -9.852) 10.265 18.681 ( -0.671 0.000 -41.166) 41.171 20.098 ( 8.372 0.000 4.929) 9.715 20.286 ( -3.232 -0.000 7.381) 8.058 21.772 ( 23.271 0.000 -1.045) 23.295 22.508 ( -32.324 -0.000 0.652) 32.331 23.277 ( -0.757 -0.000 10.024) 10.053 23.526 ( -0.040 0.000 -1.625) 1.626 24.177 ( 21.854 0.000 7.954) 23.257 25.094 ( -14.517 -0.000 -16.733) 22.153 ======================= Grid point 75 (65/110) ======================= q-point: ( 0.53 -0.13 -0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.273 ( 5.309 5.156 1.327) 7.519 3.491 ( -2.411 -2.330 -10.920) 11.423 4.170 ( -7.588 11.757 11.296) 17.984 4.642 ( 3.739 2.284 4.967) 6.624 4.785 ( 2.236 -1.858 14.977) 15.257 5.212 ( 3.071 -0.452 8.968) 9.490 5.230 ( -1.870 -5.769 2.187) 6.447 5.350 ( -1.618 0.165 -4.525) 4.808 5.618 ( -0.609 -3.168 -2.019) 3.806 5.843 ( 2.722 -2.684 -7.412) 8.340 6.246 ( -2.303 -8.947 1.516) 9.362 6.322 ( 4.868 -9.592 1.483) 10.859 6.639 ( -3.863 1.514 0.618) 4.195 6.876 ( 3.444 4.515 -1.549) 5.886 7.094 ( 0.397 14.279 2.704) 14.538 7.263 ( 8.292 -5.126 0.102) 9.749 7.787 ( -14.917 -2.113 5.626) 16.082 8.055 ( -13.080 -4.060 -0.656) 13.711 8.418 ( -13.178 -8.932 -0.322) 15.923 8.948 ( 16.185 2.060 -1.529) 16.387 9.176 ( 9.379 4.983 11.913) 15.961 9.396 ( 0.886 4.920 -4.955) 7.039 9.761 ( -1.546 1.460 7.875) 8.157 10.161 ( -6.141 26.265 21.443) 34.458 10.401 ( -0.907 0.131 0.212) 0.940 10.466 ( 9.981 2.774 8.573) 13.447 10.936 ( 0.638 7.654 0.514) 7.698 11.034 ( -0.427 3.206 4.521) 5.559 11.187 ( -2.024 0.961 -6.809) 7.168 11.526 ( 7.658 -2.602 7.402) 10.964 11.586 ( 1.764 2.032 -2.978) 4.014 11.938 ( -1.906 0.711 -1.570) 2.570 12.409 ( -1.216 -11.311 -11.305) 16.038 12.554 ( -0.887 -12.696 -9.938) 16.147 12.592 ( 1.493 -12.578 -6.937) 14.441 13.143 ( -2.351 -8.805 -6.915) 11.439 13.309 ( 10.222 -4.940 -1.393) 11.438 13.496 ( -10.737 -5.245 -14.307) 18.641 14.323 ( -10.802 2.206 15.172) 18.755 15.136 ( 10.702 -1.594 -12.498) 16.531 16.712 ( -9.139 15.240 25.673) 31.223 17.304 ( -2.331 10.675 16.107) 19.463 17.647 ( 8.103 15.967 19.437) 26.427 17.881 ( 4.026 25.093 15.196) 29.611 18.100 ( -4.797 9.193 -6.397) 12.184 19.378 ( 0.769 10.698 -28.320) 30.283 19.643 ( -0.743 -14.750 10.442) 18.088 20.255 ( 5.265 -8.591 -12.918) 16.383 21.746 ( -16.608 1.492 -0.375) 16.679 22.244 ( 20.006 -3.936 -3.888) 20.757 23.204 ( 1.156 -0.709 7.003) 7.133 23.376 ( 0.348 -4.911 -3.552) 6.070 24.150 ( -14.267 -8.298 -4.018) 16.986 24.316 ( 5.480 -4.018 -1.605) 6.982 ======================= Grid point 76 (66/110) ======================= q-point: (-0.36 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.185 ( 0.000 -3.838 14.355) 14.859 3.296 ( -0.000 -4.880 -6.806) 8.374 4.192 ( -0.000 -3.684 -18.882) 19.238 4.746 ( 0.000 -1.372 5.104) 5.285 5.017 ( 0.000 -1.182 3.571) 3.761 5.085 ( 0.000 -3.728 6.542) 7.530 5.292 ( 0.000 0.432 11.144) 11.152 5.310 ( 0.000 -0.301 5.769) 5.777 5.614 ( -0.000 3.389 -15.827) 16.186 5.966 ( 0.000 2.905 7.301) 7.858 6.233 ( 0.000 2.641 1.955) 3.286 6.400 ( -0.000 4.335 -5.661) 7.130 6.624 ( -0.000 -8.170 -1.890) 8.386 6.690 ( 0.000 4.276 0.159) 4.279 7.372 ( -0.000 -0.093 -14.262) 14.263 7.608 ( -0.000 6.247 -6.996) 9.379 7.843 ( 0.000 10.488 -9.920) 14.437 7.927 ( 0.000 11.325 3.802) 11.947 8.444 ( 0.000 6.942 -1.353) 7.073 8.942 ( -0.000 -12.964 -2.321) 13.170 9.235 ( 0.000 -4.052 11.296) 12.001 9.498 ( -0.000 -18.127 0.021) 18.127 9.616 ( -0.000 -12.062 3.816) 12.651 9.722 ( -0.000 -7.400 -1.515) 7.554 10.385 ( -0.000 -21.795 -0.071) 21.795 10.425 ( 0.000 0.221 22.473) 22.474 10.534 ( 0.000 2.247 3.037) 3.778 11.045 ( -0.000 -4.228 -14.051) 14.674 11.125 ( 0.000 2.170 7.848) 8.143 11.743 ( 0.000 10.822 -6.333) 12.539 11.769 ( 0.000 -2.623 9.187) 9.554 12.085 ( -0.000 7.539 -22.703) 23.922 12.257 ( 0.000 3.382 20.277) 20.557 12.498 ( 0.000 7.061 14.775) 16.376 12.604 ( -0.000 -8.150 -6.994) 10.739 13.362 ( 0.000 25.133 -19.170) 31.610 13.365 ( 0.000 22.913 19.253) 29.928 14.083 ( -0.000 10.158 -22.952) 25.100 14.278 ( -0.000 -2.723 -6.363) 6.921 15.051 ( 0.000 -0.941 13.849) 13.881 16.559 ( -0.000 -21.584 -17.648) 27.880 17.299 ( 0.000 -8.556 9.859) 13.054 17.328 ( -0.000 -25.452 14.110) 29.101 17.550 ( -0.000 -12.237 -2.535) 12.497 18.215 ( -0.000 -17.088 -45.052) 48.184 18.323 ( 0.000 -18.246 38.627) 42.720 20.028 ( 0.000 5.221 -3.241) 6.145 20.328 ( 0.000 11.731 12.751) 17.326 21.460 ( -0.000 -4.720 -4.094) 6.248 22.713 ( 0.000 11.361 -0.326) 11.365 23.348 ( 0.000 3.781 2.982) 4.816 23.471 ( 0.000 5.300 -0.148) 5.302 23.820 ( 0.000 0.631 4.228) 4.275 24.708 ( -0.000 10.378 -10.689) 14.898 ======================= Grid point 78 (67/110) ======================= q-point: ( 0.64 -0.14 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.308 ( -2.459 0.354 -3.104) 3.976 3.372 ( 2.544 0.269 2.724) 3.737 4.462 ( -3.267 2.270 3.712) 5.441 4.564 ( 4.822 -1.905 -3.357) 6.176 5.014 ( -7.113 0.359 3.043) 7.745 5.180 ( 5.990 2.941 -4.118) 7.841 5.300 ( -8.301 0.322 0.055) 8.308 5.501 ( -3.332 -0.628 -0.659) 3.454 5.515 ( 3.534 1.984 -1.023) 4.180 5.641 ( 3.590 -3.554 0.774) 5.110 6.067 ( -4.549 -4.966 -0.041) 6.734 6.294 ( 13.084 -3.157 3.824) 13.993 6.677 ( -9.241 3.977 -2.373) 10.336 6.966 ( 7.101 5.585 1.628) 9.180 7.061 ( -1.033 -1.732 -7.518) 7.784 7.323 ( 13.046 -1.527 5.488) 14.235 7.726 ( -14.166 -6.478 0.852) 15.600 7.937 ( 5.225 -4.689 1.014) 7.093 8.609 ( -13.861 12.299 6.912) 19.778 8.848 ( 5.612 -8.215 -5.444) 11.341 9.263 ( -9.105 0.549 -0.371) 9.129 9.491 ( 8.181 2.472 -1.608) 8.697 9.932 ( -4.854 -2.148 6.175) 8.143 10.186 ( 14.635 -0.707 -4.899) 15.449 10.580 ( -7.415 7.325 -2.685) 10.763 10.812 ( 3.920 2.332 1.252) 4.730 11.031 ( -5.836 18.332 -4.226) 19.698 11.178 ( 3.954 1.571 0.110) 4.256 11.418 ( -1.430 -8.213 2.098) 8.597 11.466 ( 3.080 -4.432 4.630) 7.111 11.687 ( -0.183 6.026 -4.787) 7.699 11.709 ( 1.084 6.350 1.504) 6.615 12.119 ( -9.674 -8.065 -8.467) 15.176 12.291 ( 4.883 -10.112 11.885) 16.351 12.459 ( -3.874 -5.811 2.098) 7.292 12.570 ( 4.911 -5.823 -6.114) 9.768 13.222 ( -9.885 2.951 -7.534) 12.775 13.506 ( 12.621 -3.085 8.703) 15.638 14.571 ( -14.420 0.102 2.351) 14.611 14.921 ( 13.633 0.372 -2.714) 13.906 17.323 ( -8.735 5.316 4.834) 11.311 17.495 ( 4.675 3.244 -4.099) 7.013 18.016 ( -0.310 5.766 6.279) 8.531 18.062 ( 3.262 6.797 -7.405) 10.568 19.037 ( -1.832 17.371 28.427) 33.365 19.074 ( 1.055 16.951 -28.267) 32.977 19.610 ( -1.488 -14.700 16.323) 22.017 19.645 ( 1.255 -15.825 -16.781) 23.100 21.788 ( -10.884 1.062 0.929) 10.975 22.106 ( 14.338 -2.429 -0.716) 14.560 23.240 ( -1.283 -1.274 -1.638) 2.440 23.274 ( 1.409 -1.460 1.647) 2.613 23.986 ( -12.146 -1.691 -1.794) 12.394 24.248 ( 8.802 -3.341 2.416) 9.720 ======================= Grid point 79 (68/110) ======================= q-point: (-0.26 -0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( -0.000 -7.209 -8.823) 11.393 3.190 ( -0.000 -14.131 -9.768) 17.179 3.792 ( -0.000 1.882 -4.332) 4.723 4.472 ( -0.000 -3.423 -20.158) 20.446 5.050 ( -0.000 -7.212 -8.544) 11.180 5.196 ( 0.000 4.845 10.888) 11.918 5.497 ( 0.000 2.047 12.934) 13.095 5.499 ( 0.000 -1.588 13.925) 14.015 5.744 ( 0.000 12.708 6.353) 14.208 5.792 ( -0.000 -4.235 -15.396) 15.968 6.261 ( -0.000 -5.921 2.526) 6.437 6.369 ( 0.000 2.790 -0.589) 2.851 6.506 ( -0.000 -3.898 -1.571) 4.203 6.728 ( -0.000 1.797 -2.788) 3.317 7.308 ( 0.000 11.449 -0.476) 11.459 7.554 ( -0.000 7.046 -11.285) 13.304 8.014 ( 0.000 17.711 -6.771) 18.961 8.110 ( -0.000 1.545 -2.398) 2.853 8.581 ( -0.000 1.018 -4.313) 4.432 8.604 ( -0.000 -7.902 -5.031) 9.368 8.984 ( -0.000 -7.882 -6.080) 9.954 9.179 ( -0.000 -16.746 1.053) 16.779 9.597 ( 0.000 -5.230 12.105) 13.186 9.604 ( -0.000 -3.495 -4.469) 5.674 10.018 ( -0.000 -10.815 2.084) 11.014 10.659 ( 0.000 5.070 0.544) 5.100 10.712 ( -0.000 -4.092 -14.677) 15.237 10.868 ( 0.000 0.520 19.456) 19.463 11.187 ( -0.000 -1.945 -4.897) 5.269 11.408 ( -0.000 6.884 -28.953) 29.760 11.654 ( -0.000 -4.834 -2.056) 5.253 11.951 ( -0.000 -7.738 -8.013) 11.139 12.584 ( 0.000 1.503 16.675) 16.743 12.742 ( 0.000 5.618 10.051) 11.515 13.268 ( 0.000 6.810 42.727) 43.266 13.392 ( -0.000 13.121 -19.678) 23.652 13.828 ( -0.000 8.700 -22.564) 24.183 13.972 ( -0.000 1.320 -4.274) 4.474 14.274 ( 0.000 15.489 15.149) 21.666 15.415 ( 0.000 5.713 18.138) 19.017 15.723 ( -0.000 -16.635 -23.628) 28.896 16.902 ( -0.000 -12.221 -32.345) 34.577 17.039 ( -0.000 -1.562 -16.082) 16.157 17.143 ( -0.000 -21.711 -6.902) 22.782 17.463 ( 0.000 -10.992 11.711) 16.061 18.786 ( 0.000 -11.909 39.829) 41.571 20.135 ( 0.000 6.565 1.055) 6.649 20.659 ( 0.000 4.189 5.577) 6.975 21.288 ( -0.000 -4.335 -4.140) 5.994 22.860 ( 0.000 5.323 -3.185) 6.203 23.281 ( -0.000 0.694 -9.190) 9.216 23.757 ( 0.000 6.878 10.046) 12.175 23.933 ( 0.000 1.034 5.446) 5.543 24.670 ( -0.000 4.801 -9.943) 11.042 ======================= Grid point 81 (69/110) ======================= q-point: (-0.26 -0.14 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( 2.770 -1.801 1.096) 3.482 3.431 ( -1.742 2.136 7.596) 8.080 4.364 ( -0.469 -5.376 -4.603) 7.093 4.593 ( -4.695 1.653 -1.986) 5.359 4.872 ( 2.890 -5.728 -10.376) 12.199 5.109 ( -1.829 5.714 -11.039) 12.564 5.243 ( 1.782 -2.282 -7.229) 7.787 5.319 ( 0.009 3.979 -7.796) 8.752 5.578 ( 1.750 0.776 0.920) 2.124 5.755 ( -6.308 3.394 6.669) 9.787 6.124 ( -1.666 4.586 2.904) 5.679 6.203 ( 8.310 -1.627 -2.549) 8.844 6.687 ( -1.662 -1.402 -1.190) 2.478 6.932 ( 8.503 1.020 -2.387) 8.890 7.149 ( -1.509 3.864 1.867) 4.549 7.316 ( 9.837 -6.211 3.365) 12.110 7.751 ( -13.883 0.496 3.397) 14.301 7.984 ( 0.469 3.092 4.973) 5.875 8.428 ( -17.951 -10.624 -10.471) 23.340 8.879 ( 10.175 8.041 -2.380) 13.185 9.228 ( 1.530 -0.650 -4.400) 4.704 9.438 ( -2.087 1.161 -3.663) 4.372 9.793 ( -2.405 -3.016 -6.946) 7.945 10.287 ( 11.430 5.207 0.691) 12.579 10.607 ( -3.574 -12.310 -4.410) 13.555 10.772 ( 2.076 -13.551 -6.511) 15.177 10.972 ( -3.964 -10.209 -6.758) 12.869 11.170 ( 2.019 -0.949 -9.938) 10.185 11.255 ( 2.289 4.617 -1.522) 5.373 11.408 ( -0.345 -8.236 3.359) 8.902 11.520 ( 5.584 12.769 -16.880) 21.890 11.749 ( -2.924 19.858 12.877) 23.848 12.146 ( -9.400 3.966 -4.689) 11.228 12.434 ( 5.240 -2.447 15.211) 16.274 12.613 ( -1.103 -6.825 18.157) 19.429 12.907 ( 2.735 13.738 19.835) 24.283 13.159 ( -0.223 7.032 -5.310) 8.814 13.564 ( 0.592 -7.450 9.788) 12.314 14.373 ( -9.242 -2.498 -13.930) 16.903 15.095 ( 8.954 2.512 11.188) 14.549 16.934 ( -4.090 -6.228 -27.575) 28.564 17.493 ( -5.805 -6.471 -10.880) 13.926 17.846 ( 8.890 -3.660 -13.398) 16.490 18.185 ( -1.573 -2.241 3.795) 4.679 18.491 ( 0.261 -29.334 -22.252) 36.820 19.107 ( -0.447 25.592 -20.842) 33.008 19.735 ( -0.787 -12.716 25.389) 28.407 20.035 ( 2.228 12.578 20.431) 24.095 21.783 ( -11.453 -1.932 0.693) 11.636 22.178 ( 15.165 2.374 6.033) 16.493 23.211 ( 0.627 -1.131 -4.099) 4.298 23.282 ( -0.264 3.446 2.230) 4.113 24.014 ( -11.294 4.739 1.417) 12.330 24.281 ( 6.285 -0.874 5.471) 8.378 ======================= Grid point 82 (70/110) ======================= q-point: (-0.15 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -0.000 0.000 -36.581) 36.581 2.586 ( -0.000 0.000 -29.638) 29.638 4.022 ( 0.000 -0.000 16.630) 16.630 4.205 ( -0.000 0.000 -1.761) 1.761 4.321 ( -0.000 0.000 -49.571) 49.571 5.353 ( -0.000 0.000 -0.881) 0.881 5.533 ( -0.000 0.000 -9.840) 9.840 5.871 ( 0.000 -0.000 17.420) 17.420 5.902 ( 0.000 -0.000 21.746) 21.746 6.021 ( -0.000 0.000 -3.428) 3.428 6.248 ( 0.000 -0.000 15.983) 15.983 6.438 ( 0.000 -0.000 1.271) 1.271 6.441 ( 0.000 -0.000 3.311) 3.311 6.689 ( 0.000 -0.000 0.380) 0.380 7.435 ( -0.000 0.000 -10.491) 10.491 7.605 ( 0.000 -0.000 9.709) 9.709 7.835 ( -0.000 0.000 -21.565) 21.565 8.097 ( -0.000 0.000 -4.771) 4.771 8.356 ( -0.000 0.000 -10.009) 10.009 8.545 ( -0.000 0.000 -10.194) 10.194 8.833 ( 0.000 -0.000 4.301) 4.301 9.023 ( 0.000 -0.000 2.381) 2.381 9.470 ( -0.000 0.000 -3.062) 3.062 9.701 ( 0.000 -0.000 4.517) 4.517 9.998 ( 0.000 -0.000 4.953) 4.953 10.336 ( -0.000 0.000 -16.853) 16.853 10.463 ( -0.000 0.000 -27.006) 27.006 10.856 ( -0.000 0.000 -9.980) 9.980 11.260 ( 0.000 -0.000 9.533) 9.533 11.309 ( 0.000 -0.000 1.065) 1.065 11.581 ( -0.000 0.000 -1.084) 1.084 11.660 ( -0.000 0.000 -0.972) 0.972 12.964 ( 0.000 -0.000 15.502) 15.502 12.971 ( 0.000 -0.000 7.609) 7.609 13.202 ( -0.000 0.000 -11.842) 11.842 13.567 ( -0.000 0.000 -14.859) 14.859 13.591 ( -0.000 0.000 -9.855) 9.855 14.373 ( 0.000 -0.000 41.501) 41.501 14.697 ( 0.000 -0.000 4.180) 4.180 15.090 ( -0.000 0.000 -22.849) 22.849 15.810 ( -0.000 0.000 -3.839) 3.839 16.124 ( -0.000 0.000 -12.048) 12.048 16.755 ( -0.000 0.000 -14.162) 14.162 16.880 ( 0.000 -0.000 2.323) 2.323 17.484 ( 0.000 -0.000 4.730) 4.730 19.331 ( 0.000 -0.000 30.054) 30.054 20.270 ( 0.000 -0.000 2.695) 2.695 20.753 ( 0.000 -0.000 0.923) 0.923 21.146 ( -0.000 0.000 -4.208) 4.208 22.818 ( -0.000 0.000 -5.681) 5.681 23.105 ( -0.000 0.000 -9.224) 9.224 24.018 ( 0.000 -0.000 8.361) 8.361 24.056 ( 0.000 -0.000 5.781) 5.781 24.535 ( -0.000 0.000 -8.397) 8.397 ======================= Grid point 83 (71/110) ======================= q-point: (-0.15 -0.15 0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.248 ( -9.176 9.530 -3.312) 13.638 3.587 ( 7.197 2.019 -4.538) 8.744 4.064 ( 2.330 12.111 3.709) 12.878 4.369 ( -4.532 10.957 -18.330) 21.831 4.628 ( 0.872 -7.965 -3.028) 8.566 4.999 ( -0.842 -7.694 -12.340) 14.567 5.210 ( 0.216 -8.264 -2.174) 8.548 5.358 ( -2.758 -6.280 -2.093) 7.171 5.588 ( 1.537 -4.015 -6.310) 7.635 5.959 ( 8.759 -3.210 4.065) 10.176 6.210 ( -5.714 -8.454 -2.015) 10.401 6.298 ( -3.085 -4.349 -1.699) 5.596 6.601 ( 3.110 1.445 -3.735) 5.070 6.851 ( 0.774 12.754 -4.704) 13.616 7.067 ( -4.029 8.989 3.508) 10.457 7.259 ( -0.538 -7.108 -0.857) 7.179 7.766 ( 15.810 -1.404 2.191) 16.023 8.053 ( 11.163 -1.862 -0.567) 11.332 8.470 ( 7.845 -10.695 3.630) 13.752 8.872 ( -6.356 -3.632 -12.802) 14.747 9.018 ( -13.441 9.853 0.458) 16.672 9.407 ( -4.657 19.578 -16.643) 26.115 9.542 ( 3.339 5.315 -11.762) 13.333 9.712 ( -1.862 2.180 -12.589) 12.911 10.250 ( -0.176 7.774 -7.760) 10.986 10.372 ( -7.369 0.604 -5.869) 9.440 10.848 ( 2.222 6.106 -9.125) 11.202 10.961 ( 5.356 7.926 -0.536) 9.581 11.267 ( -11.157 -4.289 -12.887) 17.577 11.483 ( -2.734 1.565 11.553) 11.975 11.710 ( -3.134 -4.549 10.561) 11.918 11.939 ( 3.093 0.501 0.808) 3.236 12.582 ( -1.794 -4.028 7.253) 8.488 12.769 ( -0.761 8.100 15.620) 17.612 12.903 ( -4.446 -23.479 10.507) 26.104 13.035 ( -3.264 -15.891 1.911) 16.335 13.538 ( 10.812 4.859 8.073) 14.342 13.897 ( 2.565 -16.397 24.531) 29.617 14.067 ( 12.361 2.630 -7.337) 14.613 15.339 ( -11.485 -1.384 7.839) 13.974 16.184 ( 8.129 10.973 -28.056) 31.203 16.917 ( 1.656 21.519 -29.466) 36.525 16.988 ( 3.599 18.310 -27.293) 33.062 17.815 ( -11.163 12.020 -3.907) 16.862 18.216 ( 4.195 7.399 2.712) 8.927 19.238 ( -0.662 -24.229 -19.731) 31.254 20.003 ( -1.101 8.575 24.176) 25.675 20.491 ( -6.469 -1.912 12.460) 14.169 21.770 ( 17.472 2.093 2.059) 17.717 22.323 ( -21.539 -1.042 3.718) 21.882 23.056 ( -0.438 1.557 -8.392) 8.546 23.441 ( -2.579 -4.156 3.599) 6.073 24.203 ( 2.814 -6.746 2.835) 7.840 24.438 ( 10.162 -4.299 9.672) 14.673 ======================= Grid point 91 (72/110) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( 0.000 37.927 0.000) 37.927 2.994 ( 0.000 29.368 0.000) 29.368 4.092 ( -0.000 -16.503 -0.000) 16.503 4.361 ( 0.000 30.805 0.000) 30.805 4.492 ( -0.000 -5.678 -0.000) 5.678 4.720 ( -0.000 -13.180 -0.000) 13.180 4.774 ( -0.000 -0.885 -0.000) 0.885 4.969 ( -0.000 -9.724 -0.000) 9.724 5.102 ( -0.000 -10.446 -0.000) 10.446 5.836 ( -0.000 -10.758 -0.000) 10.758 6.092 ( 0.000 5.588 0.000) 5.588 6.193 ( -0.000 -4.592 -0.000) 4.592 6.696 ( -0.000 -2.163 -0.000) 2.163 6.815 ( -0.000 -15.235 -0.000) 15.235 7.255 ( 0.000 14.150 0.000) 14.150 7.260 ( -0.000 -0.400 -0.000) 0.400 7.723 ( -0.000 -9.934 -0.000) 9.934 7.903 ( 0.000 20.232 0.000) 20.232 8.021 ( 0.000 0.874 0.000) 0.874 8.281 ( 0.000 4.121 0.000) 4.121 8.706 ( 0.000 0.268 0.000) 0.268 9.172 ( 0.000 2.467 0.000) 2.467 9.191 ( -0.000 -11.575 -0.000) 11.575 9.686 ( -0.000 -10.486 -0.000) 10.486 9.976 ( 0.000 2.516 0.000) 2.516 10.348 ( 0.000 5.719 0.000) 5.719 10.617 ( 0.000 12.562 0.000) 12.562 10.898 ( 0.000 12.805 0.000) 12.805 10.982 ( 0.000 3.300 0.000) 3.300 11.880 ( 0.000 8.531 0.000) 8.531 11.919 ( 0.000 10.279 0.000) 10.279 12.044 ( -0.000 -4.179 -0.000) 4.179 12.552 ( -0.000 -13.709 -0.000) 13.709 13.213 ( 0.000 6.955 0.000) 6.955 13.255 ( -0.000 -6.180 -0.000) 6.180 13.671 ( -0.000 -35.690 -0.000) 35.690 13.730 ( 0.000 21.021 0.000) 21.021 13.969 ( 0.000 9.379 0.000) 9.379 14.880 ( 0.000 3.731 0.000) 3.731 14.962 ( -0.000 -2.703 -0.000) 2.703 15.663 ( -0.000 -10.516 -0.000) 10.516 16.103 ( 0.000 17.116 0.000) 17.116 16.199 ( 0.000 12.229 0.000) 12.229 17.425 ( 0.000 3.797 0.000) 3.797 17.972 ( 0.000 2.708 0.000) 2.708 18.271 ( -0.000 -30.702 -0.000) 30.702 20.711 ( -0.000 -4.635 -0.000) 4.635 20.920 ( 0.000 3.204 0.000) 3.204 21.953 ( 0.000 0.034 0.000) 0.034 22.310 ( 0.000 6.749 0.000) 6.749 22.871 ( 0.000 3.170 0.000) 3.170 23.935 ( -0.000 -5.854 -0.000) 5.854 24.240 ( -0.000 -8.598 -0.000) 8.598 24.649 ( 0.000 9.007 0.000) 9.007 ======================= Grid point 92 (73/110) ======================= q-point: ( 0.17 -0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 0.064 -23.745 -0.000) 23.745 3.258 ( -14.106 -21.527 -0.000) 25.737 3.375 ( 11.900 11.677 0.000) 16.672 4.294 ( 3.968 6.248 0.000) 7.401 4.637 ( 11.057 -2.915 0.000) 11.435 4.762 ( 1.523 9.234 0.000) 9.358 4.863 ( -2.570 -2.723 -0.000) 3.744 5.125 ( -10.682 16.765 0.000) 19.879 5.837 ( -8.773 -3.449 -0.000) 9.427 6.013 ( -8.522 1.568 -0.000) 8.665 6.132 ( 8.831 15.210 0.000) 17.588 6.304 ( -10.887 2.145 -0.000) 11.096 6.658 ( -2.931 13.157 0.000) 13.479 6.701 ( -2.963 -2.136 -0.000) 3.653 6.928 ( 4.100 -7.927 -0.000) 8.925 7.320 ( -11.321 -1.906 -0.000) 11.481 7.754 ( 3.255 -5.921 -0.000) 6.757 7.947 ( 1.277 -13.692 -0.000) 13.752 8.158 ( 2.104 0.101 0.000) 2.107 8.415 ( 8.223 -3.490 0.000) 8.933 8.715 ( 12.995 2.691 0.000) 13.271 9.014 ( -5.273 4.413 0.000) 6.876 9.125 ( -10.110 -3.288 -0.000) 10.632 9.475 ( 5.961 -11.763 -0.000) 13.188 9.891 ( 15.308 -9.848 0.000) 18.203 9.951 ( -5.700 10.500 0.000) 11.948 10.479 ( 7.924 -21.197 -0.000) 22.630 10.717 ( 4.831 -2.573 0.000) 5.473 11.181 ( -7.351 -3.714 -0.000) 8.236 11.584 ( 7.305 -2.536 0.000) 7.733 12.148 ( -9.024 5.240 -0.000) 10.435 12.349 ( -7.173 -5.573 -0.000) 9.084 12.610 ( 4.332 -5.447 -0.000) 6.960 13.097 ( -6.847 5.358 0.000) 8.694 13.285 ( 10.374 5.621 0.000) 11.799 13.597 ( 0.166 2.000 0.000) 2.007 13.681 ( 3.019 15.130 0.000) 15.428 14.454 ( -15.788 -12.148 -0.000) 19.921 14.878 ( 1.389 -2.940 -0.000) 3.251 15.030 ( -0.477 0.889 0.000) 1.009 15.397 ( 2.519 19.911 0.000) 20.070 16.120 ( -0.550 -15.500 -0.000) 15.510 16.677 ( -7.646 -8.340 -0.000) 11.315 17.025 ( 7.854 -6.996 -0.000) 10.518 18.092 ( -1.244 -0.753 -0.000) 1.454 18.272 ( -0.051 31.031 0.000) 31.031 20.334 ( 1.597 -4.559 -0.000) 4.830 21.011 ( 18.228 -10.373 0.000) 20.973 21.954 ( 0.121 -0.070 0.000) 0.139 22.343 ( -14.484 -1.427 -0.000) 14.554 22.702 ( -4.693 -3.788 -0.000) 6.031 23.546 ( -1.315 -3.876 -0.000) 4.093 24.111 ( 17.312 -7.007 0.000) 18.677 25.378 ( -12.241 19.218 0.000) 22.785 ======================= Grid point 93 (74/110) ======================= q-point: ( 0.17 -0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -48.560 -0.000 0.000) 48.560 1.241 ( -52.154 -0.000 0.000) 52.154 1.886 ( -80.021 -0.000 0.000) 80.021 4.527 ( 4.643 0.000 -0.000) 4.643 4.665 ( 8.741 0.000 -0.000) 8.741 4.704 ( -2.455 -0.000 0.000) 2.455 5.238 ( -2.047 -0.000 0.000) 2.047 5.391 ( 24.193 0.000 -0.000) 24.193 5.713 ( -1.124 -0.000 0.000) 1.124 6.117 ( 6.741 0.000 -0.000) 6.741 6.327 ( -0.496 -0.000 0.000) 0.496 6.782 ( 1.616 0.000 -0.000) 1.616 6.831 ( -7.368 -0.000 0.000) 7.368 7.062 ( -13.336 -0.000 0.000) 13.336 7.164 ( 17.068 0.000 -0.000) 17.068 7.200 ( -2.429 -0.000 0.000) 2.429 7.497 ( 10.182 0.000 -0.000) 10.182 7.933 ( 1.279 0.000 -0.000) 1.279 7.959 ( 3.752 0.000 -0.000) 3.752 8.355 ( -17.966 -0.000 0.000) 17.966 8.593 ( -21.938 -0.000 0.000) 21.938 8.884 ( 6.628 0.000 -0.000) 6.628 9.110 ( 39.650 0.000 -0.000) 39.650 9.564 ( 7.342 0.000 -0.000) 7.342 9.807 ( 15.592 0.000 -0.000) 15.592 10.088 ( -2.133 -0.000 0.000) 2.133 10.278 ( -0.608 -0.000 0.000) 0.608 10.937 ( 10.858 0.000 -0.000) 10.858 11.087 ( -9.475 -0.000 0.000) 9.475 11.474 ( 2.816 0.000 -0.000) 2.816 11.563 ( -22.708 -0.000 0.000) 22.708 11.854 ( -14.144 -0.000 0.000) 14.144 12.929 ( -0.086 -0.000 0.000) 0.086 12.989 ( 0.334 0.000 -0.000) 0.334 13.116 ( -1.720 -0.000 0.000) 1.720 13.286 ( 7.262 0.000 -0.000) 7.262 13.534 ( 6.630 0.000 -0.000) 6.630 13.887 ( 0.113 0.000 -0.000) 0.113 14.838 ( 1.969 0.000 -0.000) 1.969 15.627 ( -8.328 -0.000 0.000) 8.328 16.169 ( 3.774 0.000 -0.000) 3.774 16.455 ( 3.850 0.000 -0.000) 3.850 16.459 ( -0.425 -0.000 0.000) 0.425 17.474 ( -3.005 -0.000 0.000) 3.005 17.924 ( 1.271 0.000 -0.000) 1.271 19.255 ( -0.253 -0.000 0.000) 0.253 19.992 ( 11.511 0.000 -0.000) 11.511 20.424 ( 8.828 0.000 -0.000) 8.828 21.630 ( -31.753 -0.000 0.000) 31.753 21.953 ( 0.001 0.000 -0.000) 0.001 22.678 ( -2.145 -0.000 0.000) 2.145 22.799 ( 0.723 0.000 -0.000) 0.723 24.185 ( 9.134 0.000 -0.000) 9.134 26.440 ( 0.517 0.000 -0.000) 0.517 ======================= Grid point 94 (75/110) ======================= q-point: ( 0.27 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( -0.000 -6.733 5.913) 8.961 3.452 ( 0.000 21.159 8.947) 22.973 4.056 ( -0.000 -29.760 8.440) 30.934 4.338 ( 0.000 20.253 3.398) 20.536 4.528 ( 0.000 0.669 1.516) 1.657 4.553 ( 0.000 -10.250 11.660) 15.525 4.661 ( -0.000 -1.440 -3.152) 3.465 5.001 ( 0.000 9.813 0.005) 9.813 5.235 ( 0.000 -2.691 4.271) 5.048 5.714 ( -0.000 -1.567 -0.132) 1.572 6.109 ( 0.000 5.673 5.403) 7.834 6.404 ( -0.000 -14.056 -4.352) 14.714 6.538 ( 0.000 22.451 3.402) 22.708 6.741 ( 0.000 -5.586 8.369) 10.062 7.243 ( -0.000 1.711 -5.228) 5.501 7.296 ( -0.000 -14.138 -2.804) 14.413 7.767 ( 0.000 19.782 0.421) 19.786 7.957 ( -0.000 -1.163 -4.609) 4.753 8.276 ( 0.000 2.519 13.233) 13.470 8.491 ( 0.000 3.057 13.605) 13.944 8.862 ( 0.000 10.150 4.688) 11.180 9.017 ( -0.000 -12.687 7.780) 14.883 9.352 ( -0.000 -17.266 -1.896) 17.370 9.387 ( 0.000 12.619 5.925) 13.941 10.008 ( -0.000 -7.674 4.701) 9.000 10.398 ( -0.000 -2.383 1.959) 3.085 10.713 ( 0.000 1.790 1.623) 2.417 11.176 ( 0.000 11.384 3.092) 11.796 11.234 ( 0.000 18.173 -7.826) 19.787 11.764 ( -0.000 -25.922 -4.447) 26.300 11.901 ( -0.000 1.843 -8.309) 8.511 12.134 ( 0.000 10.964 3.819) 11.610 12.320 ( -0.000 -7.603 -2.800) 8.102 12.888 ( -0.000 -14.284 -3.845) 14.792 13.133 ( -0.000 -3.698 -12.453) 12.991 13.404 ( 0.000 -3.070 9.184) 9.683 14.030 ( 0.000 23.584 -16.254) 28.642 14.196 ( 0.000 20.383 -7.971) 21.886 14.429 ( -0.000 -23.812 -18.372) 30.076 15.180 ( 0.000 4.970 21.151) 21.727 15.488 ( -0.000 -14.082 5.681) 15.185 16.480 ( 0.000 8.350 6.381) 10.509 16.750 ( 0.000 35.078 3.752) 35.278 17.598 ( 0.000 0.252 15.377) 15.379 17.728 ( -0.000 -33.416 16.125) 37.103 18.131 ( 0.000 0.805 9.230) 9.265 20.572 ( -0.000 -4.110 -4.485) 6.083 20.895 ( -0.000 -1.218 -5.802) 5.928 21.847 ( -0.000 1.982 -8.223) 8.459 22.560 ( 0.000 2.672 9.197) 9.577 22.903 ( 0.000 0.864 -0.083) 0.868 23.821 ( -0.000 -4.821 -0.201) 4.825 23.946 ( -0.000 -7.583 -11.369) 13.665 24.811 ( 0.000 11.325 -5.541) 12.608 ======================= Grid point 95 (76/110) ======================= q-point: ( 0.27 -0.17 -0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -20.923 -10.426 9.098) 25.085 3.024 ( -26.238 -19.493 24.139) 40.633 3.742 ( 25.497 14.144 -0.140) 29.157 4.372 ( 4.346 1.864 -4.354) 6.428 4.568 ( 7.794 -3.575 4.636) 9.748 4.756 ( 2.549 -0.227 -0.702) 2.654 5.068 ( 0.999 9.025 7.856) 12.007 5.339 ( -17.370 -4.089 1.624) 17.919 5.653 ( -25.100 -11.050 6.639) 28.217 5.908 ( 2.060 -6.232 2.092) 6.889 6.319 ( 4.175 4.666 -0.333) 6.270 6.506 ( -6.198 14.064 -6.531) 16.699 6.668 ( 6.811 5.339 -3.561) 9.359 6.947 ( -4.195 13.846 0.671) 14.483 7.128 ( -3.759 11.229 3.347) 12.305 7.273 ( -4.171 -4.115 10.427) 11.960 7.525 ( 0.414 -21.583 11.880) 24.640 7.807 ( 7.546 -2.084 1.979) 8.075 8.253 ( 24.684 -10.610 6.449) 27.631 8.354 ( 6.077 0.189 7.037) 9.300 8.709 ( -0.360 -2.532 0.444) 2.596 9.058 ( -9.556 -0.821 0.751) 9.621 9.162 ( -11.850 2.585 4.529) 12.947 9.276 ( 7.368 -3.877 -0.509) 8.341 9.831 ( 12.774 -1.652 3.421) 13.327 10.067 ( 6.660 -13.407 7.712) 16.840 10.318 ( -2.097 8.450 -2.328) 9.012 10.645 ( 4.592 -0.885 -4.110) 6.226 11.075 ( -1.117 -8.463 4.154) 9.494 11.544 ( 2.368 -3.172 2.239) 4.548 12.084 ( -10.910 -2.698 -7.663) 13.603 12.191 ( -7.193 -4.495 -4.442) 9.575 12.549 ( 7.196 4.445 -3.005) 8.976 13.119 ( 1.040 -11.145 -10.620) 15.429 13.162 ( 7.091 1.320 -8.861) 11.426 13.330 ( 0.192 2.278 6.087) 6.502 14.229 ( -12.001 -14.314 8.942) 20.709 14.363 ( -0.839 18.561 -0.392) 18.584 14.895 ( -0.174 -1.890 7.594) 7.828 14.996 ( -0.357 0.971 7.958) 8.025 15.773 ( -2.244 6.904 -17.765) 19.191 15.949 ( -3.026 23.435 -6.851) 24.602 16.451 ( -6.165 -16.291 2.649) 17.619 17.071 ( 7.977 -3.814 11.273) 14.326 18.082 ( -3.152 -5.819 2.903) 7.227 18.963 ( 1.447 21.182 13.992) 25.427 20.208 ( 7.309 -6.767 -0.890) 10.000 20.624 ( 14.458 -15.122 -12.194) 24.216 21.925 ( 4.713 -0.558 -2.338) 5.290 22.342 ( -21.411 0.019 1.645) 21.474 22.697 ( -2.398 -2.013 7.011) 7.678 23.419 ( -1.246 -8.189 1.370) 8.396 23.980 ( 16.791 -3.936 -0.315) 17.249 25.691 ( -12.147 20.259 -11.401) 26.229 ======================= Grid point 97 (77/110) ======================= q-point: ( 0.38 -0.18 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( -0.000 -26.721 5.801) 27.344 3.351 ( 0.000 6.152 13.133) 14.503 4.336 ( -0.000 -6.077 -7.449) 9.613 4.351 ( 0.000 10.010 12.497) 16.012 4.501 ( 0.000 -10.652 17.105) 20.151 4.679 ( 0.000 12.163 2.151) 12.352 4.962 ( -0.000 -8.103 0.265) 8.107 5.145 ( 0.000 16.394 7.160) 17.889 5.316 ( 0.000 5.088 4.190) 6.591 5.749 ( 0.000 6.535 0.556) 6.558 6.098 ( -0.000 -5.409 -5.219) 7.516 6.451 ( 0.000 12.853 2.052) 13.016 6.803 ( -0.000 -7.108 -2.804) 7.641 6.819 ( 0.000 -3.245 9.587) 10.122 7.113 ( -0.000 -3.571 -5.191) 6.301 7.230 ( 0.000 8.612 13.595) 16.093 7.877 ( -0.000 4.934 -6.506) 8.165 8.161 ( 0.000 14.873 -0.186) 14.875 8.492 ( 0.000 5.529 0.989) 5.617 8.637 ( -0.000 -13.129 1.777) 13.248 9.052 ( 0.000 -2.877 15.871) 16.129 9.141 ( 0.000 -6.544 14.403) 15.820 9.215 ( 0.000 3.586 14.073) 14.523 9.788 ( 0.000 1.895 11.258) 11.416 9.864 ( -0.000 -17.091 8.982) 19.307 10.422 ( 0.000 -7.757 15.888) 17.680 10.726 ( -0.000 -5.187 0.128) 5.189 10.950 ( -0.000 -31.169 -1.248) 31.194 11.303 ( -0.000 4.515 -6.563) 7.966 11.528 ( 0.000 8.439 7.243) 11.121 11.737 ( -0.000 8.755 -21.555) 23.266 12.056 ( -0.000 -1.735 -12.884) 13.000 12.527 ( 0.000 17.755 1.002) 17.784 12.664 ( -0.000 -5.846 -2.572) 6.386 12.789 ( -0.000 6.860 -17.081) 18.407 13.481 ( -0.000 -18.058 -15.279) 23.655 13.692 ( 0.000 -4.471 9.204) 10.232 14.093 ( -0.000 22.010 -27.925) 35.556 14.416 ( 0.000 19.202 -11.562) 22.414 15.275 ( -0.000 -13.423 2.271) 13.614 15.777 ( 0.000 2.153 30.423) 30.499 16.739 ( 0.000 -8.387 19.221) 20.971 17.238 ( 0.000 -2.572 9.535) 9.876 17.514 ( -0.000 -23.548 22.388) 32.492 18.240 ( 0.000 24.878 23.454) 34.191 18.316 ( 0.000 0.716 5.727) 5.772 20.385 ( -0.000 -3.504 -6.629) 7.498 20.611 ( -0.000 -7.768 -14.998) 16.891 21.761 ( -0.000 1.433 -4.526) 4.747 22.637 ( -0.000 -0.928 -2.338) 2.515 22.975 ( 0.000 -1.023 6.956) 7.031 23.591 ( -0.000 -1.670 -12.427) 12.539 23.739 ( -0.000 -3.153 0.414) 3.180 24.898 ( 0.000 13.330 -11.529) 17.624 ======================= Grid point 98 (78/110) ======================= q-point: ( 0.38 -0.18 -0.49) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 271 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -26.921 0.421 13.081) 29.934 3.142 ( -30.392 -18.759 21.933) 41.912 3.866 ( 15.102 1.796 3.866) 15.692 4.124 ( 3.449 -2.893 -14.651) 15.327 4.744 ( 16.203 9.170 4.416) 19.134 4.952 ( 11.963 2.279 10.277) 15.935 5.281 ( -18.111 -8.061 14.999) 24.859 5.367 ( -4.846 3.222 7.043) 9.136 5.656 ( -5.122 -6.438 1.448) 8.353 5.814 ( 3.643 -5.083 3.756) 7.295 6.335 ( -3.564 4.715 -6.266) 8.613 6.560 ( -1.032 6.045 3.868) 7.250 6.819 ( -8.208 8.291 -6.115) 13.172 7.025 ( 1.934 -0.518 -4.488) 4.915 7.307 ( 2.726 6.069 -1.077) 6.740 7.471 ( -0.628 -11.122 22.399) 25.016 7.709 ( -7.575 12.044 9.550) 17.136 7.918 ( 1.998 1.696 8.616) 9.006 8.181 ( 27.498 -3.212 11.746) 30.074 8.551 ( 3.712 -3.139 7.379) 8.837 8.660 ( -7.513 -2.284 -1.236) 7.949 8.992 ( -5.438 -3.240 0.205) 6.333 9.150 ( 5.781 -4.498 2.237) 7.659 9.412 ( 0.948 2.642 6.588) 7.161 9.811 ( 6.437 -7.302 2.221) 9.985 10.066 ( 7.767 -3.711 11.340) 14.237 10.226 ( 0.325 -7.730 -1.401) 7.863 10.553 ( 3.798 0.588 -8.476) 9.306 11.103 ( 2.018 -1.674 11.123) 11.428 11.495 ( 1.100 -3.545 -1.129) 3.880 11.898 ( -12.766 -3.768 -6.113) 14.647 12.021 ( -8.822 -1.084 -4.266) 9.858 12.607 ( 11.703 9.468 -8.826) 17.450 12.862 ( 5.485 0.641 -10.425) 11.798 13.053 ( 3.972 7.240 1.330) 8.365 13.620 ( -4.207 2.520 16.689) 17.394 14.106 ( -11.572 -16.911 12.530) 24.019 14.610 ( -1.930 1.249 13.117) 13.317 15.011 ( -2.070 2.418 -4.789) 5.750 15.125 ( -0.705 4.235 -17.130) 17.659 15.615 ( -1.961 13.886 0.343) 14.028 16.096 ( -5.303 -4.472 -2.416) 7.346 16.472 ( 0.981 13.738 -0.724) 13.792 17.012 ( 3.080 -11.874 -2.832) 12.590 17.872 ( -3.397 -14.412 -1.483) 14.881 19.602 ( 3.332 11.271 14.600) 18.743 20.014 ( 5.900 -11.378 -17.193) 21.444 20.055 ( 12.543 -7.520 0.762) 14.644 21.856 ( 10.243 -0.704 -2.883) 10.664 22.403 ( -28.663 1.983 2.224) 28.818 22.880 ( 0.401 2.599 9.130) 9.501 23.363 ( -0.508 -5.501 9.243) 10.768 23.961 ( 17.316 -0.614 2.981) 17.581 25.725 ( -13.012 12.093 -20.163) 26.871 ======================= Grid point 100 (79/110) ======================= q-point: ( 0.48 -0.18 -0.82) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -0.000 -15.662 7.453) 17.345 3.689 ( 0.000 4.958 -1.707) 5.243 4.176 ( 0.000 -4.547 9.969) 10.957 4.515 ( -0.000 1.762 -2.785) 3.295 4.660 ( 0.000 -9.342 19.518) 21.639 4.904 ( 0.000 -4.123 11.265) 11.996 5.106 ( 0.000 13.496 1.349) 13.563 5.278 ( -0.000 1.262 -5.920) 6.053 5.512 ( 0.000 3.662 7.816) 8.631 5.942 ( 0.000 11.448 -5.200) 12.573 6.106 ( 0.000 4.990 4.977) 7.048 6.476 ( -0.000 -0.433 -5.704) 5.720 6.768 ( 0.000 2.694 0.021) 2.694 6.820 ( -0.000 -2.966 -9.746) 10.188 7.152 ( 0.000 8.578 13.373) 15.887 7.585 ( 0.000 7.257 1.731) 7.461 7.879 ( -0.000 3.686 -4.632) 5.919 8.116 ( -0.000 -13.414 1.097) 13.458 8.568 ( 0.000 6.004 -5.897) 8.416 8.708 ( 0.000 9.841 8.444) 12.967 9.120 ( -0.000 -0.926 0.636) 1.123 9.452 ( 0.000 -1.131 6.535) 6.633 9.471 ( 0.000 -30.684 35.714) 47.085 9.748 ( 0.000 -1.070 8.369) 8.437 9.779 ( -0.000 -19.113 15.257) 24.456 10.307 ( -0.000 -16.324 9.147) 18.712 10.585 ( -0.000 -7.319 1.534) 7.478 11.031 ( 0.000 -1.794 24.717) 24.782 11.133 ( -0.000 5.952 -19.389) 20.282 11.594 ( 0.000 7.869 -7.246) 10.697 11.697 ( -0.000 -4.112 -6.703) 7.864 11.924 ( 0.000 7.541 3.665) 8.384 12.484 ( -0.000 -9.680 -2.670) 10.041 12.512 ( -0.000 -2.752 -4.300) 5.105 12.783 ( -0.000 -4.430 -14.188) 14.863 13.116 ( 0.000 38.259 -17.740) 42.172 13.862 ( -0.000 16.010 -34.596) 38.121 13.987 ( 0.000 0.103 17.027) 17.027 14.542 ( 0.000 16.567 -14.529) 22.036 15.040 ( -0.000 -10.948 -0.307) 10.952 16.359 ( 0.000 -2.671 29.648) 29.768 16.900 ( 0.000 -23.276 33.974) 41.182 17.206 ( -0.000 -19.761 14.275) 24.378 17.459 ( -0.000 -15.601 8.333) 17.687 18.303 ( -0.000 -5.085 -3.456) 6.148 19.225 ( 0.000 23.912 21.743) 32.319 19.991 ( -0.000 -13.333 -26.146) 29.349 20.189 ( -0.000 -3.151 -5.829) 6.626 21.696 ( -0.000 -1.590 -3.522) 3.864 22.581 ( 0.000 5.074 -4.276) 6.635 23.052 ( 0.000 -2.251 6.145) 6.545 23.485 ( 0.000 4.648 -3.519) 5.830 23.712 ( 0.000 -1.425 1.743) 2.251 24.935 ( 0.000 14.755 -14.414) 20.627 ======================= Grid point 102 (80/110) ======================= q-point: ( 0.48 -0.18 -0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.672 ( -10.916 -0.000 10.235) 14.964 3.321 ( -23.412 -0.000 20.666) 31.228 3.811 ( 0.374 0.000 -9.856) 9.863 4.044 ( -0.085 -0.000 11.575) 11.575 5.002 ( 10.663 0.000 -11.412) 15.619 5.034 ( 21.921 0.000 5.804) 22.676 5.147 ( 16.767 0.000 1.936) 16.879 5.492 ( -2.442 -0.000 -4.174) 4.835 5.815 ( 8.906 0.000 5.632) 10.538 5.888 ( -29.405 -0.000 22.880) 37.258 6.260 ( -4.413 -0.000 -12.733) 13.476 6.748 ( -16.706 -0.000 0.364) 16.710 6.871 ( -3.870 -0.000 9.998) 10.721 6.945 ( 11.807 0.000 -4.364) 12.587 7.238 ( -7.281 -0.000 -5.583) 9.175 7.830 ( -19.365 -0.000 -9.386) 21.520 7.868 ( 1.765 -0.000 27.315) 27.372 8.137 ( 7.145 0.000 6.078) 9.381 8.458 ( 0.281 -0.000 3.966) 3.976 8.574 ( 16.945 0.000 11.076) 20.244 8.593 ( -10.790 -0.000 0.680) 10.811 9.033 ( 8.824 0.000 3.308) 9.424 9.151 ( 19.011 0.000 6.419) 20.066 9.445 ( -3.793 -0.000 0.486) 3.824 9.775 ( 1.469 0.000 -0.810) 1.677 10.131 ( 0.463 -0.000 5.413) 5.432 10.191 ( 12.307 0.000 1.783) 12.436 10.671 ( 1.884 -0.000 26.790) 26.857 11.344 ( 1.947 0.000 5.154) 5.509 11.423 ( 3.931 0.000 3.574) 5.313 11.720 ( -16.705 -0.000 -4.570) 17.319 11.896 ( -12.835 -0.000 -11.006) 16.908 12.610 ( 9.778 0.000 -11.664) 15.220 12.628 ( 16.877 0.000 -0.262) 16.879 13.376 ( 0.757 -0.000 13.252) 13.274 13.990 ( -17.344 -0.000 0.912) 17.368 14.094 ( -7.380 -0.000 19.663) 21.003 14.384 ( -0.114 0.000 -43.371) 43.371 14.803 ( -2.228 -0.000 -4.675) 5.179 15.189 ( 0.284 -0.000 2.310) 2.327 15.983 ( -6.839 -0.000 14.417) 15.957 16.077 ( -0.857 -0.000 14.295) 14.321 16.544 ( 7.771 0.000 -5.927) 9.773 16.741 ( 1.859 0.000 2.811) 3.370 17.638 ( -2.687 -0.000 -4.246) 5.025 19.374 ( -1.557 0.000 -30.549) 30.588 19.998 ( 10.715 0.000 4.929) 11.794 20.092 ( 5.525 0.000 12.778) 13.921 21.801 ( 16.618 0.000 -2.041) 16.743 22.478 ( -31.624 -0.000 2.367) 31.712 23.085 ( 0.023 -0.000 9.565) 9.565 23.488 ( 0.298 -0.000 6.014) 6.022 24.047 ( 19.477 0.000 5.778) 20.316 25.448 ( -14.679 -0.000 -20.214) 24.981 ======================= Grid point 104 (81/110) ======================= q-point: (-0.41 0.81 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.933 ( 0.000 -4.667 11.610) 12.513 3.485 ( -0.000 -3.639 -12.353) 12.877 4.459 ( 0.000 -4.353 21.566) 22.001 4.466 ( -0.000 1.564 -8.447) 8.591 4.803 ( 0.000 -9.234 14.972) 17.591 4.956 ( -0.000 -5.565 5.301) 7.685 5.235 ( 0.000 -1.183 1.879) 2.220 5.247 ( 0.000 5.569 -2.104) 5.953 5.804 ( 0.000 6.218 8.907) 10.862 5.945 ( -0.000 0.500 -15.615) 15.623 6.245 ( 0.000 9.856 -2.412) 10.147 6.456 ( 0.000 2.969 0.037) 2.970 6.688 ( -0.000 -4.288 -5.979) 7.358 6.695 ( 0.000 4.928 -1.869) 5.270 7.622 ( 0.000 8.787 6.726) 11.066 7.625 ( -0.000 6.131 -10.933) 12.535 7.896 ( 0.000 9.769 -1.135) 9.834 7.994 ( 0.000 5.136 -3.794) 6.385 8.517 ( -0.000 1.202 -4.720) 4.871 8.947 ( -0.000 -13.160 7.594) 15.194 8.996 ( -0.000 -8.013 6.135) 10.092 9.384 ( -0.000 -20.840 20.408) 29.169 9.425 ( -0.000 -13.915 6.463) 15.342 9.712 ( -0.000 -4.334 1.769) 4.681 10.060 ( 0.000 3.123 15.202) 15.520 10.268 ( -0.000 -17.873 12.023) 21.540 10.457 ( -0.000 -8.523 5.300) 10.036 11.133 ( 0.000 18.533 -9.175) 20.679 11.292 ( -0.000 -8.261 -2.751) 8.708 11.381 ( 0.000 -3.292 15.432) 15.779 11.720 ( 0.000 7.001 3.971) 8.049 12.146 ( -0.000 -8.022 -2.828) 8.506 12.269 ( 0.000 5.893 10.181) 11.763 12.340 ( -0.000 -4.216 -6.951) 8.130 13.041 ( 0.000 20.127 13.642) 24.314 13.154 ( -0.000 15.580 -41.851) 44.656 13.739 ( 0.000 26.897 -19.998) 33.517 14.267 ( 0.000 -0.030 8.709) 8.709 14.508 ( -0.000 12.775 -20.845) 24.448 14.862 ( -0.000 -7.411 5.022) 8.952 16.692 ( -0.000 -11.769 9.865) 15.356 17.025 ( -0.000 -16.453 14.711) 22.071 17.031 ( -0.000 -24.649 15.940) 29.354 17.291 ( 0.000 -17.283 27.214) 32.238 17.996 ( -0.000 -13.598 -5.204) 14.560 19.026 ( -0.000 -14.507 -38.764) 41.390 20.042 ( 0.000 14.281 17.044) 22.236 20.070 ( -0.000 -1.194 -1.280) 1.750 21.551 ( -0.000 -3.407 -5.244) 6.253 22.723 ( 0.000 11.307 -0.594) 11.323 23.200 ( 0.000 2.779 9.249) 9.658 23.527 ( 0.000 3.317 -2.630) 4.233 23.746 ( 0.000 -0.063 3.396) 3.397 24.949 ( -0.000 12.838 -14.334) 19.243 ======================= Grid point 108 (82/110) ======================= q-point: (-0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.108 ( 0.000 -3.200 11.213) 11.661 3.198 ( -0.000 -3.998 -8.731) 9.602 4.117 ( -0.000 -3.722 -22.183) 22.493 4.707 ( 0.000 -1.885 5.893) 6.187 4.961 ( 0.000 -3.046 15.196) 15.498 5.031 ( 0.000 -0.653 7.690) 7.718 5.236 ( -0.000 -4.786 0.702) 4.837 5.270 ( 0.000 -3.929 9.540) 10.317 5.745 ( 0.000 8.743 -4.883) 10.014 5.940 ( -0.000 -3.460 -0.582) 3.509 6.282 ( -0.000 -1.888 -3.901) 4.334 6.440 ( -0.000 2.661 -6.269) 6.811 6.560 ( -0.000 -0.726 -2.293) 2.405 6.805 ( 0.000 7.305 -4.334) 8.494 7.455 ( -0.000 6.270 -14.730) 16.009 7.746 ( 0.000 9.395 -7.187) 11.829 8.135 ( 0.000 5.125 -1.221) 5.268 8.154 ( 0.000 17.772 -6.971) 19.090 8.567 ( 0.000 6.574 3.142) 7.286 8.659 ( -0.000 -11.232 -0.353) 11.237 9.087 ( -0.000 -18.685 -2.743) 18.886 9.089 ( -0.000 -11.642 10.238) 15.504 9.307 ( 0.000 -14.597 16.817) 22.269 9.672 ( -0.000 -0.981 -2.179) 2.390 9.976 ( -0.000 -15.334 2.809) 15.589 10.438 ( 0.000 1.180 19.907) 19.942 10.538 ( 0.000 -1.073 11.351) 11.402 10.982 ( -0.000 -2.293 -13.226) 13.423 11.291 ( 0.000 9.615 -8.388) 12.760 11.662 ( -0.000 -5.815 3.640) 6.861 11.921 ( -0.000 5.814 -10.506) 12.007 12.170 ( 0.000 1.720 0.759) 1.880 12.374 ( 0.000 6.511 35.411) 36.004 12.512 ( -0.000 -1.258 -32.116) 32.141 12.597 ( 0.000 2.320 14.919) 15.099 13.811 ( -0.000 16.305 -23.363) 28.490 13.814 ( 0.000 19.048 18.689) 26.685 14.221 ( -0.000 -3.051 -5.879) 6.623 14.293 ( -0.000 9.907 -25.089) 26.974 15.052 ( 0.000 1.202 19.225) 19.262 16.138 ( -0.000 -17.340 -19.083) 25.784 16.830 ( -0.000 -20.864 13.135) 24.654 17.132 ( 0.000 -6.745 14.752) 16.221 17.362 ( -0.000 -5.528 -7.546) 9.354 17.927 ( -0.000 -10.161 -47.421) 48.497 17.976 ( 0.000 -14.259 41.808) 44.173 20.096 ( 0.000 1.790 2.918) 3.423 20.509 ( 0.000 5.821 10.311) 11.841 21.383 ( -0.000 -2.645 -5.608) 6.200 22.908 ( 0.000 6.853 -1.649) 7.049 23.417 ( -0.000 2.638 -2.727) 3.794 23.566 ( 0.000 3.609 7.838) 8.628 23.833 ( 0.000 0.518 4.895) 4.922 24.891 ( -0.000 6.719 -13.155) 14.772 ======================= Grid point 111 (83/110) ======================= q-point: (-0.20 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.967 ( -0.000 0.000 -11.960) 11.960 3.019 ( -0.000 0.000 -17.920) 17.920 3.818 ( 0.000 -0.000 0.519) 0.519 4.437 ( -0.000 0.000 -20.110) 20.110 4.959 ( -0.000 0.000 -16.509) 16.509 5.251 ( 0.000 -0.000 12.084) 12.084 5.451 ( 0.000 -0.000 23.658) 23.658 5.520 ( 0.000 -0.000 18.296) 18.296 5.761 ( -0.000 0.000 -11.765) 11.765 5.988 ( 0.000 -0.000 10.826) 10.826 6.096 ( -0.000 0.000 -5.569) 5.569 6.426 ( -0.000 0.000 -3.826) 3.826 6.430 ( -0.000 0.000 -0.890) 0.890 6.758 ( -0.000 0.000 -6.687) 6.687 7.460 ( 0.000 -0.000 3.729) 3.729 7.669 ( -0.000 0.000 -13.487) 13.487 8.084 ( -0.000 0.000 -5.302) 5.302 8.219 ( -0.000 0.000 -7.714) 7.714 8.575 ( -0.000 0.000 -11.482) 11.482 8.685 ( -0.000 0.000 -3.545) 3.545 8.785 ( 0.000 -0.000 1.059) 1.059 8.938 ( 0.000 -0.000 6.295) 6.295 9.537 ( 0.000 -0.000 13.294) 13.294 9.551 ( -0.000 0.000 -5.405) 5.405 9.913 ( 0.000 -0.000 4.353) 4.353 10.662 ( -0.000 0.000 -16.585) 16.585 10.707 ( 0.000 -0.000 3.764) 3.764 10.893 ( 0.000 -0.000 24.163) 24.163 11.158 ( -0.000 0.000 -14.780) 14.780 11.558 ( -0.000 0.000 -34.936) 34.936 11.602 ( -0.000 0.000 -0.955) 0.955 11.782 ( -0.000 0.000 -9.484) 9.484 12.624 ( 0.000 -0.000 19.044) 19.044 12.806 ( 0.000 -0.000 9.539) 9.539 13.332 ( 0.000 -0.000 42.754) 42.754 13.526 ( -0.000 0.000 -21.168) 21.168 13.940 ( -0.000 0.000 -23.137) 23.137 13.977 ( -0.000 0.000 -6.286) 6.286 14.455 ( 0.000 -0.000 18.254) 18.254 15.507 ( 0.000 -0.000 21.679) 21.679 15.536 ( -0.000 0.000 -22.794) 22.794 16.779 ( 0.000 -0.000 7.968) 7.968 16.872 ( -0.000 0.000 -48.835) 48.835 17.038 ( -0.000 0.000 -14.967) 14.967 17.329 ( 0.000 -0.000 11.411) 11.411 18.653 ( 0.000 -0.000 40.312) 40.312 20.204 ( 0.000 -0.000 4.132) 4.132 20.703 ( 0.000 -0.000 4.624) 4.624 21.241 ( -0.000 0.000 -5.567) 5.567 22.917 ( -0.000 0.000 -4.427) 4.427 23.287 ( -0.000 0.000 -9.358) 9.358 23.833 ( 0.000 -0.000 10.906) 10.906 23.944 ( 0.000 -0.000 5.786) 5.786 24.722 ( -0.000 0.000 -11.159) 11.159 ======================= Grid point 123 (84/110) ======================= q-point: ( 0.22 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( -0.000 -8.080 -0.000) 8.080 3.344 ( 0.000 28.525 0.000) 28.525 3.970 ( -0.000 -38.721 -0.000) 38.721 4.314 ( 0.000 29.564 0.000) 29.564 4.409 ( -0.000 -17.002 -0.000) 17.002 4.509 ( 0.000 0.634 0.000) 0.634 4.707 ( -0.000 -5.431 -0.000) 5.431 5.091 ( 0.000 17.227 0.000) 17.227 5.111 ( -0.000 -0.131 -0.000) 0.131 5.715 ( -0.000 -1.089 -0.000) 1.089 6.060 ( 0.000 1.526 0.000) 1.526 6.468 ( -0.000 -15.666 -0.000) 15.666 6.510 ( 0.000 22.199 0.000) 22.199 6.628 ( -0.000 -4.901 -0.000) 4.901 7.309 ( 0.000 4.320 0.000) 4.320 7.326 ( -0.000 -14.610 -0.000) 14.610 7.763 ( 0.000 19.347 0.000) 19.347 8.015 ( -0.000 -0.318 -0.000) 0.318 8.107 ( 0.000 1.073 0.000) 1.073 8.338 ( 0.000 0.893 0.000) 0.893 8.827 ( 0.000 9.654 0.000) 9.654 8.942 ( -0.000 -11.192 -0.000) 11.192 9.337 ( 0.000 13.007 0.000) 13.007 9.374 ( -0.000 -18.929 -0.000) 18.929 9.963 ( -0.000 -4.827 -0.000) 4.827 10.381 ( -0.000 -3.263 -0.000) 3.263 10.699 ( -0.000 -0.924 -0.000) 0.924 11.140 ( 0.000 10.560 0.000) 10.560 11.317 ( 0.000 20.080 0.000) 20.080 11.817 ( -0.000 -31.754 -0.000) 31.754 12.023 ( 0.000 9.224 0.000) 9.224 12.054 ( 0.000 6.866 0.000) 6.866 12.340 ( 0.000 2.436 0.000) 2.436 12.929 ( -0.000 -16.401 -0.000) 16.401 13.262 ( -0.000 -1.356 -0.000) 1.356 13.310 ( -0.000 -5.571 -0.000) 5.571 14.205 ( 0.000 24.115 0.000) 24.115 14.273 ( 0.000 19.512 0.000) 19.512 14.629 ( -0.000 -24.048 -0.000) 24.048 14.958 ( 0.000 3.519 0.000) 3.519 15.404 ( -0.000 -14.590 -0.000) 14.590 16.430 ( 0.000 9.982 0.000) 9.982 16.741 ( 0.000 38.600 0.000) 38.600 17.427 ( -0.000 -3.535 -0.000) 3.535 17.559 ( -0.000 -37.519 -0.000) 37.519 18.030 ( 0.000 2.531 0.000) 2.531 20.613 ( -0.000 -5.037 -0.000) 5.037 20.951 ( -0.000 -0.529 -0.000) 0.529 21.953 ( 0.000 0.008 0.000) 0.008 22.438 ( 0.000 5.235 0.000) 5.235 22.910 ( 0.000 0.564 0.000) 0.564 23.823 ( -0.000 -4.948 -0.000) 4.948 24.061 ( -0.000 -8.517 -0.000) 8.517 24.866 ( 0.000 12.198 0.000) 12.198 ======================= Grid point 124 (85/110) ======================= q-point: ( 0.22 -0.22 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -25.997 -7.797 -0.000) 27.141 2.752 ( -26.132 -23.484 -0.000) 35.134 3.755 ( 27.499 20.523 0.000) 34.313 4.368 ( 4.410 1.454 0.000) 4.643 4.548 ( 9.233 -4.460 0.000) 10.254 4.782 ( -1.929 -4.190 -0.000) 4.612 4.985 ( 1.470 10.237 0.000) 10.342 5.319 ( -27.139 -11.920 -0.000) 29.641 5.572 ( -26.170 -11.130 -0.000) 28.438 5.896 ( 4.461 -4.074 -0.000) 6.042 6.324 ( 7.888 3.074 0.000) 8.466 6.563 ( 0.008 21.358 0.000) 21.358 6.742 ( 2.688 7.809 0.000) 8.259 6.948 ( -4.667 11.610 0.000) 12.513 6.991 ( 3.122 6.537 0.000) 7.244 7.213 ( -10.420 -8.014 -0.000) 13.145 7.435 ( -2.773 -14.886 -0.000) 15.142 7.793 ( 7.565 -5.736 -0.000) 9.494 8.123 ( 26.623 -9.155 0.000) 28.153 8.327 ( 17.642 -1.238 0.000) 17.686 8.707 ( -3.933 -0.389 -0.000) 3.952 9.027 ( -16.765 -1.305 -0.000) 16.816 9.128 ( -8.285 3.948 -0.000) 9.178 9.294 ( 5.026 -4.609 -0.000) 6.820 9.796 ( 14.133 -3.899 0.000) 14.661 9.987 ( 6.580 -12.029 -0.000) 13.711 10.355 ( -3.526 10.842 0.000) 11.400 10.686 ( 5.490 2.324 0.000) 5.962 11.035 ( -2.746 -10.252 -0.000) 10.613 11.520 ( 4.039 -3.253 -0.000) 5.187 12.153 ( -11.678 -5.207 -0.000) 12.786 12.249 ( -8.504 -4.735 -0.000) 9.733 12.582 ( 6.930 5.493 0.000) 8.843 13.130 ( -3.532 0.193 -0.000) 3.537 13.259 ( 0.824 -11.129 -0.000) 11.159 13.380 ( 11.014 0.178 0.000) 11.015 14.103 ( -8.902 -21.777 -0.000) 23.526 14.353 ( 0.123 9.002 0.000) 9.003 14.815 ( 1.177 0.077 0.000) 1.179 14.909 ( -1.926 8.007 0.000) 8.236 15.899 ( -4.392 26.883 0.000) 27.239 16.159 ( -1.614 12.642 0.000) 12.745 16.412 ( -8.529 -14.302 -0.000) 16.652 16.918 ( 9.026 -3.618 0.000) 9.725 18.053 ( -2.291 -3.106 -0.000) 3.859 18.815 ( -0.156 21.469 0.000) 21.470 20.215 ( 7.542 -7.373 -0.000) 10.547 20.748 ( 17.313 -14.994 -0.000) 22.903 21.953 ( 0.037 -0.028 -0.000) 0.046 22.317 ( -17.674 -0.582 -0.000) 17.684 22.626 ( -4.575 -3.108 -0.000) 5.531 23.406 ( -1.351 -10.469 -0.000) 10.556 23.984 ( 16.907 -5.156 0.000) 17.676 25.807 ( -10.918 21.835 0.000) 24.412 ======================= Grid point 126 (86/110) ======================= q-point: ( 0.33 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.120 ( 0.000 2.308 9.442) 9.720 3.149 ( -0.000 -32.190 5.657) 32.683 4.081 ( 0.000 16.880 13.041) 21.331 4.168 ( -0.000 -18.099 14.271) 23.048 4.497 ( -0.000 -5.300 -6.631) 8.489 4.617 ( 0.000 7.824 4.195) 8.877 5.003 ( -0.000 -7.257 -2.869) 7.803 5.010 ( 0.000 24.125 6.096) 24.883 5.349 ( 0.000 12.199 -6.453) 13.800 5.758 ( 0.000 5.889 -1.155) 6.002 6.188 ( -0.000 -4.943 -3.672) 6.158 6.334 ( 0.000 14.903 8.237) 17.028 6.626 ( 0.000 -5.611 9.148) 10.732 6.868 ( -0.000 -4.461 -2.958) 5.353 7.032 ( 0.000 4.750 6.232) 7.836 7.271 ( -0.000 0.865 -10.329) 10.365 7.975 ( -0.000 2.272 -3.240) 3.957 8.186 ( 0.000 17.680 -1.636) 17.755 8.281 ( 0.000 -1.443 16.810) 16.872 8.456 ( 0.000 -10.280 17.470) 20.270 8.695 ( -0.000 -19.657 7.468) 21.027 9.066 ( 0.000 10.100 2.552) 10.418 9.087 ( -0.000 -3.374 0.628) 3.432 9.657 ( 0.000 10.862 3.213) 11.327 9.793 ( -0.000 -11.838 0.753) 11.862 10.215 ( -0.000 -16.785 6.199) 17.893 10.700 ( -0.000 -1.850 1.774) 2.563 10.971 ( -0.000 -36.637 -0.826) 36.646 11.393 ( 0.000 7.526 5.819) 9.513 11.414 ( -0.000 -1.648 -4.666) 4.948 12.075 ( -0.000 9.628 -11.605) 15.079 12.309 ( -0.000 1.028 -12.043) 12.087 12.538 ( 0.000 28.922 -3.115) 29.089 12.700 ( -0.000 -6.865 -0.981) 6.935 13.097 ( -0.000 3.850 -12.829) 13.394 13.354 ( 0.000 -2.050 11.823) 12.000 13.922 ( -0.000 -24.347 -16.346) 29.326 14.516 ( 0.000 22.480 -14.787) 26.907 14.619 ( 0.000 19.755 -9.347) 21.855 15.168 ( -0.000 -16.775 7.696) 18.456 15.269 ( 0.000 4.611 21.080) 21.578 16.515 ( -0.000 -11.161 2.648) 11.471 17.087 ( 0.000 -20.844 21.535) 29.971 17.178 ( -0.000 -0.477 -3.034) 3.071 17.812 ( 0.000 26.274 20.339) 33.227 18.168 ( 0.000 1.622 8.098) 8.259 20.472 ( -0.000 -5.739 -2.758) 6.367 20.823 ( -0.000 -5.793 -7.248) 9.279 21.873 ( -0.000 0.745 -6.477) 6.520 22.593 ( 0.000 0.366 6.079) 6.090 22.897 ( -0.000 -1.393 0.974) 1.700 23.734 ( -0.000 -3.542 0.084) 3.543 23.809 ( -0.000 -5.732 -8.958) 10.635 25.083 ( 0.000 15.164 -7.169) 16.773 ======================= Grid point 127 (87/110) ======================= q-point: ( 0.33 -0.23 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 270 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -41.841 1.784 6.077) 42.318 2.685 ( -34.294 -13.108 24.428) 44.097 3.887 ( 6.504 -3.345 -5.030) 8.877 4.370 ( 4.260 -2.194 -9.843) 10.947 4.594 ( 10.690 6.571 14.385) 19.089 4.743 ( 1.512 -1.566 7.096) 7.422 4.952 ( -28.529 -15.056 11.673) 34.305 5.236 ( 0.167 6.804 5.934) 9.030 5.673 ( -2.555 4.695 -1.097) 5.456 5.831 ( 10.602 -2.277 -1.837) 10.998 6.330 ( 15.861 -4.791 0.405) 16.574 6.663 ( -5.446 3.580 -3.302) 7.306 6.832 ( -4.830 -5.875 3.072) 8.202 7.012 ( 0.415 6.781 1.866) 7.046 7.192 ( -3.938 2.964 -3.145) 5.847 7.375 ( -1.514 7.139 3.495) 8.092 7.485 ( 4.165 10.541 14.018) 18.026 7.657 ( 8.319 -8.559 12.268) 17.116 8.032 ( 28.301 -5.961 4.747) 29.309 8.422 ( 7.451 3.130 5.050) 9.529 8.715 ( -13.618 1.546 -3.282) 14.093 9.015 ( -8.466 -9.763 -1.361) 12.994 9.097 ( -8.977 -1.517 3.944) 9.922 9.307 ( 5.719 4.711 3.353) 8.133 9.682 ( 11.540 -11.742 8.163) 18.377 9.936 ( 8.386 3.171 1.077) 9.030 10.337 ( -2.344 -6.672 -6.989) 9.942 10.781 ( 1.160 9.163 -10.152) 13.725 10.919 ( 4.970 -4.500 6.378) 9.254 11.482 ( 2.077 -2.748 1.691) 3.838 12.009 ( -16.022 -3.153 -4.681) 16.987 12.106 ( -8.313 -1.688 -4.957) 9.825 12.737 ( 7.012 11.344 -4.090) 13.949 12.978 ( 0.571 -2.028 -4.262) 4.754 13.156 ( 5.983 -1.876 -5.689) 8.466 13.371 ( 1.551 1.287 6.411) 6.720 13.786 ( -4.867 -24.929 18.490) 31.417 14.256 ( -0.461 -13.874 17.279) 22.164 14.874 ( -0.426 -1.313 6.995) 7.130 15.454 ( -1.452 28.515 -8.164) 29.696 15.892 ( -5.377 1.258 -18.298) 19.113 16.161 ( 1.074 -2.810 -6.949) 7.572 16.538 ( -0.974 17.584 -2.393) 17.773 17.048 ( -2.315 9.341 -0.736) 9.651 17.908 ( -3.477 -11.467 -3.551) 12.498 19.308 ( 3.456 12.626 14.116) 19.251 19.999 ( 15.397 -15.005 1.509) 21.552 20.331 ( 4.858 -10.327 -11.558) 16.243 21.914 ( 4.112 -0.404 -3.039) 5.129 22.361 ( -26.680 1.402 2.138) 26.802 22.705 ( -0.453 3.524 8.850) 9.537 23.186 ( -1.380 -13.874 7.745) 15.949 23.919 ( 16.653 -1.958 1.435) 16.829 26.075 ( -8.216 15.401 -14.840) 22.912 ======================= Grid point 129 (88/110) ======================= q-point: ( 0.43 -0.23 -0.77) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -0.000 -15.164 7.866) 17.082 3.494 ( 0.000 5.219 16.625) 17.425 4.184 ( -0.000 -9.855 8.015) 12.703 4.266 ( -0.000 -9.510 7.297) 11.986 4.534 ( 0.000 7.975 6.311) 10.170 4.723 ( -0.000 -8.325 0.684) 8.353 5.036 ( 0.000 12.835 8.287) 15.278 5.361 ( 0.000 5.549 -2.348) 6.026 5.454 ( 0.000 7.892 -3.472) 8.622 5.963 ( 0.000 12.540 1.365) 12.614 6.127 ( 0.000 6.556 -5.901) 8.820 6.550 ( -0.000 -5.531 -1.918) 5.855 6.787 ( 0.000 10.407 -1.369) 10.497 6.803 ( 0.000 3.868 14.059) 14.581 7.067 ( -0.000 -0.317 -8.288) 8.294 7.458 ( 0.000 12.099 10.080) 15.748 7.947 ( -0.000 -1.385 -2.110) 2.524 8.066 ( -0.000 -20.819 3.485) 21.109 8.548 ( 0.000 -0.931 9.543) 9.588 8.561 ( 0.000 -0.400 12.819) 12.826 8.794 ( 0.000 -17.807 26.458) 31.892 9.133 ( 0.000 3.130 -1.595) 3.513 9.292 ( 0.000 -0.968 7.598) 7.659 9.604 ( -0.000 -11.916 3.438) 12.402 9.631 ( 0.000 -3.587 4.118) 5.461 10.160 ( -0.000 -9.389 7.155) 11.805 10.610 ( -0.000 -6.595 -2.460) 7.039 10.612 ( 0.000 -7.791 16.550) 18.292 11.282 ( -0.000 -3.595 -0.816) 3.686 11.652 ( 0.000 1.872 7.863) 8.083 11.932 ( -0.000 8.187 -21.391) 22.904 12.040 ( -0.000 0.446 -12.710) 12.718 12.523 ( -0.000 -8.320 -1.751) 8.502 12.633 ( -0.000 3.221 -10.261) 10.755 13.106 ( -0.000 -15.120 -17.649) 23.241 13.415 ( 0.000 41.098 -12.800) 43.045 13.655 ( 0.000 -0.842 16.842) 16.863 14.512 ( -0.000 18.367 -30.781) 35.845 14.781 ( 0.000 15.643 -10.149) 18.647 14.982 ( -0.000 -15.061 6.727) 16.495 15.815 ( 0.000 2.819 25.322) 25.478 16.294 ( -0.000 -29.087 26.044) 39.043 17.002 ( -0.000 -17.664 6.545) 18.837 17.259 ( 0.000 -5.521 13.478) 14.565 18.298 ( 0.000 -3.053 3.979) 5.015 18.796 ( 0.000 26.268 21.963) 34.240 20.278 ( -0.000 -7.061 -3.483) 7.873 20.414 ( -0.000 -11.090 -17.585) 20.790 21.773 ( -0.000 -0.162 -4.827) 4.830 22.636 ( 0.000 1.192 -0.688) 1.376 22.930 ( 0.000 -2.724 6.154) 6.730 23.579 ( -0.000 -0.442 -6.180) 6.196 23.686 ( -0.000 -1.998 0.949) 2.212 25.211 ( 0.000 16.805 -13.707) 21.686 ======================= Grid point 131 (89/110) ======================= q-point: ( 0.43 -0.23 -0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 155 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( -33.035 -0.000 9.662) 34.419 2.872 ( -33.409 -0.000 22.638) 40.356 3.890 ( 9.016 0.000 5.247) 10.432 4.086 ( 5.135 0.000 -15.373) 16.208 4.922 ( 25.287 0.000 5.793) 25.942 4.951 ( 13.287 0.000 9.338) 16.240 5.116 ( -29.770 -0.000 21.493) 36.717 5.450 ( -2.719 -0.000 6.814) 7.336 5.527 ( -8.202 -0.000 -2.745) 8.649 5.789 ( 13.414 0.000 -2.343) 13.617 6.464 ( 8.776 0.000 17.988) 20.014 6.545 ( -9.251 -0.000 -16.101) 18.570 6.884 ( -14.789 -0.000 1.747) 14.892 7.045 ( 5.489 0.000 -6.251) 8.319 7.280 ( 3.780 -0.000 15.848) 16.292 7.451 ( 0.950 0.000 -0.240) 0.980 7.839 ( -18.569 -0.000 8.667) 20.492 8.039 ( 7.605 0.000 4.475) 8.824 8.114 ( 35.938 0.000 27.092) 45.006 8.476 ( 2.535 0.000 0.658) 2.619 8.615 ( -13.367 -0.000 -3.559) 13.833 8.945 ( 2.021 0.000 5.189) 5.568 9.127 ( -1.396 -0.000 -1.976) 2.420 9.418 ( 6.374 0.000 2.459) 6.832 9.730 ( 3.096 0.000 8.226) 8.789 10.063 ( 7.833 0.000 9.569) 12.366 10.101 ( 1.192 0.000 -2.467) 2.740 10.566 ( 0.766 0.000 -15.095) 15.114 11.088 ( 5.269 0.000 14.588) 15.510 11.456 ( 2.384 0.000 -0.977) 2.577 11.835 ( -17.410 -0.000 -7.222) 18.849 12.027 ( -9.050 -0.000 -3.387) 9.663 12.782 ( 9.270 0.000 -13.512) 16.386 12.801 ( 9.796 0.000 -7.941) 12.611 13.183 ( 1.106 -0.000 6.849) 6.938 13.709 ( -4.480 -0.000 18.710) 19.239 13.807 ( -7.163 -0.000 17.851) 19.235 14.579 ( -1.500 -0.000 25.790) 25.834 15.013 ( -4.260 -0.000 9.405) 10.325 15.176 ( -0.379 0.000 -37.426) 37.428 15.826 ( -7.427 -0.000 -0.827) 7.473 16.095 ( 4.123 0.000 -6.018) 7.295 16.600 ( 5.826 0.000 0.023) 5.826 16.933 ( -7.924 -0.000 -22.396) 23.757 17.662 ( -2.809 -0.000 1.566) 3.216 19.766 ( 1.659 0.000 -5.102) 5.364 19.807 ( 11.634 0.000 16.601) 20.272 19.997 ( 8.590 0.000 -10.325) 13.431 21.849 ( 10.000 0.000 -2.903) 10.413 22.425 ( -30.371 -0.000 2.862) 30.506 22.924 ( 0.113 -0.000 7.015) 7.016 23.287 ( 0.301 -0.000 14.943) 14.946 23.955 ( 17.677 0.000 3.846) 18.091 25.858 ( -12.042 -0.000 -21.999) 25.079 ======================= Grid point 133 (90/110) ======================= q-point: (-0.46 0.76 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 0.000 -2.574 5.812) 6.357 3.711 ( -0.000 -2.528 -6.332) 6.818 4.052 ( 0.000 -6.817 15.318) 16.767 4.459 ( 0.000 -10.462 21.461) 23.876 4.535 ( -0.000 0.482 -1.151) 1.248 4.851 ( 0.000 -1.401 7.849) 7.973 5.254 ( -0.000 -0.006 -2.979) 2.979 5.323 ( -0.000 3.802 -5.538) 6.717 5.640 ( 0.000 7.458 7.282) 10.424 6.128 ( -0.000 0.619 -2.609) 2.682 6.294 ( 0.000 17.302 -3.219) 17.599 6.453 ( -0.000 0.651 -1.105) 1.282 6.811 ( -0.000 1.740 -9.919) 10.070 6.825 ( -0.000 1.816 -7.147) 7.374 7.403 ( 0.000 13.323 14.944) 20.020 7.756 ( 0.000 8.719 -1.929) 8.930 7.892 ( 0.000 -0.428 3.466) 3.492 7.929 ( 0.000 -4.256 10.140) 10.997 8.564 ( -0.000 -4.287 0.343) 4.301 8.718 ( -0.000 -29.844 25.888) 39.508 8.811 ( 0.000 -5.508 8.688) 10.287 9.102 ( -0.000 -1.758 0.922) 1.985 9.268 ( -0.000 -12.891 9.659) 16.108 9.684 ( 0.000 5.086 2.199) 5.541 9.825 ( 0.000 4.625 9.868) 10.898 10.041 ( -0.000 -11.875 6.773) 13.671 10.388 ( -0.000 -10.721 0.513) 10.733 10.881 ( 0.000 -10.539 23.980) 26.194 11.284 ( 0.000 5.642 0.144) 5.644 11.532 ( -0.000 -8.639 -8.288) 11.972 11.766 ( -0.000 10.881 -13.574) 17.397 12.092 ( 0.000 6.984 5.934) 9.165 12.246 ( -0.000 -11.584 -4.903) 12.579 12.498 ( -0.000 1.056 -10.026) 10.081 12.878 ( 0.000 11.341 2.878) 11.700 13.904 ( 0.000 33.982 -29.211) 44.812 13.994 ( 0.000 0.782 17.647) 17.665 14.177 ( -0.000 16.254 -30.410) 34.481 14.798 ( -0.000 -12.763 4.183) 13.431 14.857 ( -0.000 13.669 -14.680) 20.059 16.273 ( 0.000 -10.227 30.929) 32.576 16.427 ( 0.000 -12.996 30.741) 33.376 16.752 ( -0.000 -23.154 12.338) 26.236 17.179 ( -0.000 -13.831 -1.111) 13.876 18.127 ( -0.000 -12.019 -5.394) 13.174 19.603 ( 0.000 6.216 -0.286) 6.223 19.761 ( -0.000 -2.101 -9.032) 9.273 20.084 ( -0.000 -6.698 -0.445) 6.712 21.655 ( -0.000 -2.001 -5.470) 5.825 22.729 ( 0.000 8.691 0.309) 8.696 23.028 ( 0.000 0.017 8.473) 8.473 23.550 ( 0.000 1.262 0.034) 1.263 23.691 ( 0.000 -0.659 2.395) 2.484 25.249 ( -0.000 14.893 -16.644) 22.334 ======================= Grid point 137 (91/110) ======================= q-point: (-0.36 0.76 0.24) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.893 ( 0.000 0.079 9.711) 9.712 3.404 ( -0.000 -3.559 -12.427) 12.926 4.366 ( 0.000 -3.673 23.206) 23.495 4.494 ( -0.000 0.585 -14.836) 14.848 4.606 ( 0.000 -8.761 19.373) 21.262 4.864 ( 0.000 -2.005 6.990) 7.272 5.131 ( -0.000 -8.103 4.925) 9.482 5.343 ( -0.000 2.833 -4.973) 5.723 5.880 ( 0.000 0.996 6.214) 6.293 5.960 ( -0.000 3.394 -15.348) 15.719 6.364 ( -0.000 -2.177 -3.895) 4.462 6.519 ( 0.000 4.736 -1.220) 4.890 6.664 ( -0.000 0.634 -10.071) 10.091 6.879 ( 0.000 12.160 -3.522) 12.660 7.775 ( -0.000 7.206 -15.575) 17.161 7.784 ( 0.000 10.626 3.179) 11.091 8.143 ( 0.000 8.392 2.655) 8.802 8.201 ( 0.000 13.267 6.537) 14.790 8.510 ( 0.000 0.972 2.403) 2.592 8.550 ( -0.000 -18.689 14.694) 23.774 8.811 ( 0.000 -8.038 11.462) 13.999 9.062 ( -0.000 -14.766 7.444) 16.536 9.082 ( -0.000 -18.115 2.811) 18.332 9.709 ( -0.000 0.770 -3.439) 3.524 9.885 ( -0.000 -15.473 7.202) 17.067 10.118 ( 0.000 2.492 13.507) 13.735 10.320 ( 0.000 -4.852 10.401) 11.477 11.195 ( -0.000 -1.903 -2.755) 3.348 11.319 ( 0.000 -3.314 24.137) 24.363 11.463 ( 0.000 11.289 -4.998) 12.346 11.862 ( 0.000 7.404 4.085) 8.456 11.995 ( -0.000 -4.834 2.578) 5.479 12.266 ( -0.000 -3.061 -11.259) 11.667 12.375 ( 0.000 3.531 10.267) 10.857 13.385 ( -0.000 7.216 -49.144) 49.671 13.454 ( 0.000 18.254 17.462) 25.261 14.258 ( -0.000 19.960 -22.504) 30.080 14.267 ( 0.000 -0.114 3.991) 3.993 14.714 ( 0.000 -6.587 14.484) 15.911 14.757 ( -0.000 11.219 -22.385) 25.039 16.412 ( -0.000 -13.559 -6.791) 15.165 16.562 ( -0.000 -18.823 14.057) 23.493 16.757 ( 0.000 -8.118 26.067) 27.302 17.039 ( 0.000 -7.864 30.052) 31.063 17.697 ( -0.000 -13.622 -7.893) 15.744 18.781 ( -0.000 -8.662 -40.944) 41.851 20.027 ( 0.000 -2.251 4.191) 4.757 20.263 ( 0.000 7.164 15.288) 16.883 21.499 ( -0.000 -1.673 -6.385) 6.600 22.920 ( 0.000 6.789 0.415) 6.802 23.283 ( 0.000 5.066 11.552) 12.614 23.554 ( -0.000 -0.661 -1.351) 1.504 23.748 ( 0.000 0.119 3.950) 3.952 25.174 ( -0.000 8.219 -16.307) 18.261 ======================= Grid point 141 (92/110) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.071 ( 0.000 -0.000 7.509) 7.509 3.154 ( -0.000 0.000 -9.626) 9.626 4.069 ( -0.000 0.000 -21.610) 21.610 4.684 ( 0.000 -0.000 7.010) 7.010 4.926 ( 0.000 -0.000 20.515) 20.515 5.044 ( 0.000 -0.000 4.452) 4.452 5.176 ( -0.000 0.000 -4.221) 4.221 5.202 ( 0.000 -0.000 14.121) 14.121 5.867 ( 0.000 -0.000 0.221) 0.221 5.900 ( -0.000 0.000 -3.029) 3.029 6.221 ( -0.000 0.000 -6.312) 6.312 6.493 ( -0.000 0.000 -6.090) 6.090 6.540 ( -0.000 0.000 -4.561) 4.561 6.902 ( -0.000 0.000 -7.566) 7.566 7.539 ( -0.000 0.000 -12.662) 12.662 7.925 ( -0.000 0.000 -12.040) 12.040 8.114 ( 0.000 -0.000 0.820) 0.820 8.375 ( -0.000 0.000 -7.503) 7.503 8.654 ( 0.000 -0.000 6.904) 6.904 8.734 ( -0.000 0.000 -4.881) 4.881 8.782 ( -0.000 0.000 -0.466) 0.466 8.795 ( 0.000 -0.000 8.352) 8.352 9.166 ( 0.000 -0.000 25.241) 25.241 9.654 ( -0.000 0.000 -4.314) 4.314 9.819 ( 0.000 -0.000 5.300) 5.300 10.457 ( 0.000 -0.000 19.751) 19.751 10.520 ( 0.000 -0.000 13.058) 13.058 10.956 ( -0.000 0.000 -13.876) 13.876 11.401 ( -0.000 0.000 -12.729) 12.729 11.594 ( 0.000 -0.000 3.640) 3.640 11.985 ( -0.000 0.000 -11.562) 11.562 12.182 ( 0.000 -0.000 9.061) 9.061 12.456 ( 0.000 -0.000 43.081) 43.081 12.507 ( -0.000 0.000 -41.219) 41.219 12.611 ( 0.000 -0.000 10.564) 10.564 13.980 ( -0.000 0.000 -25.445) 25.445 14.065 ( 0.000 -0.000 21.305) 21.305 14.150 ( -0.000 0.000 -8.673) 8.673 14.420 ( -0.000 0.000 -26.164) 26.164 15.077 ( 0.000 -0.000 22.971) 22.971 15.939 ( -0.000 0.000 -18.891) 18.891 16.587 ( 0.000 -0.000 11.682) 11.682 17.057 ( 0.000 -0.000 16.655) 16.655 17.312 ( -0.000 0.000 -13.330) 13.330 17.811 ( 0.000 -0.000 46.719) 46.719 17.819 ( -0.000 0.000 -48.516) 48.516 20.113 ( 0.000 -0.000 5.334) 5.334 20.568 ( 0.000 -0.000 9.528) 9.528 21.355 ( -0.000 0.000 -6.351) 6.351 22.979 ( -0.000 0.000 -1.919) 1.919 23.446 ( -0.000 0.000 -6.786) 6.786 23.606 ( 0.000 -0.000 12.652) 12.652 23.838 ( 0.000 -0.000 5.133) 5.133 24.963 ( -0.000 0.000 -14.074) 14.074 ======================= Grid point 156 (93/110) ======================= q-point: ( 0.28 -0.28 0.28) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.025 ( 0.000 0.687 0.000) 0.687 3.091 ( -0.000 -34.301 -0.000) 34.301 3.941 ( 0.000 20.221 0.000) 20.221 4.018 ( -0.000 -20.727 -0.000) 20.727 4.568 ( -0.000 -6.357 -0.000) 6.357 4.568 ( 0.000 5.338 0.000) 5.338 4.944 ( 0.000 27.017 0.000) 27.017 5.034 ( -0.000 -6.246 -0.000) 6.246 5.440 ( 0.000 16.222 0.000) 16.222 5.773 ( 0.000 6.624 0.000) 6.624 6.229 ( -0.000 -5.782 -0.000) 5.782 6.232 ( 0.000 14.113 0.000) 14.113 6.524 ( -0.000 -5.243 -0.000) 5.243 6.897 ( 0.000 0.615 0.000) 0.615 6.979 ( -0.000 -1.187 -0.000) 1.187 7.411 ( 0.000 5.186 0.000) 5.186 7.981 ( -0.000 -6.091 -0.000) 6.091 8.091 ( 0.000 1.428 0.000) 1.428 8.207 ( 0.000 20.351 0.000) 20.351 8.253 ( -0.000 -10.976 -0.000) 10.976 8.638 ( -0.000 -23.471 -0.000) 23.471 9.045 ( 0.000 10.920 0.000) 10.920 9.081 ( -0.000 -2.770 -0.000) 2.770 9.634 ( 0.000 13.996 0.000) 13.996 9.790 ( -0.000 -10.887 -0.000) 10.887 10.160 ( -0.000 -19.961 -0.000) 19.961 10.681 ( -0.000 -0.925 -0.000) 0.925 10.979 ( -0.000 -38.448 -0.000) 38.448 11.333 ( 0.000 7.389 0.000) 7.389 11.461 ( -0.000 -3.293 -0.000) 3.293 12.178 ( 0.000 5.145 0.000) 5.145 12.445 ( 0.000 3.561 0.000) 3.561 12.587 ( 0.000 40.007 0.000) 40.007 12.704 ( -0.000 -7.793 -0.000) 7.793 13.224 ( -0.000 -3.186 -0.000) 3.186 13.229 ( 0.000 0.188 0.000) 0.188 14.102 ( -0.000 -25.600 -0.000) 25.600 14.647 ( 0.000 17.860 0.000) 17.860 14.733 ( 0.000 21.966 0.000) 21.966 15.043 ( 0.000 6.933 0.000) 6.933 15.069 ( -0.000 -17.697 -0.000) 17.697 16.577 ( -0.000 -0.984 -0.000) 0.984 16.793 ( -0.000 -29.979 -0.000) 29.979 17.268 ( -0.000 -10.529 -0.000) 10.529 17.557 ( 0.000 37.419 0.000) 37.419 18.077 ( 0.000 1.958 0.000) 1.958 20.498 ( -0.000 -6.338 -0.000) 6.338 20.892 ( -0.000 -5.143 -0.000) 5.143 21.953 ( -0.000 -0.023 -0.000) 0.023 22.509 ( 0.000 1.453 0.000) 1.453 22.895 ( -0.000 -1.797 -0.000) 1.797 23.734 ( -0.000 -3.686 -0.000) 3.686 23.899 ( -0.000 -7.241 -0.000) 7.241 25.154 ( 0.000 15.871 0.000) 15.871 ======================= Grid point 157 (94/110) ======================= q-point: ( 0.28 -0.28 -0.39) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -46.053 6.979 -0.000) 46.579 2.350 ( -33.733 -14.033 -0.000) 36.535 3.973 ( -17.794 -11.501 -0.000) 21.187 4.374 ( 6.945 2.149 0.000) 7.270 4.475 ( 5.626 -1.940 0.000) 5.951 4.677 ( 2.351 -1.490 0.000) 2.784 4.860 ( -16.609 -10.039 -0.000) 19.407 5.175 ( 0.344 7.606 0.000) 7.614 5.685 ( -1.967 7.909 0.000) 8.149 5.843 ( 8.521 -1.407 0.000) 8.636 6.352 ( 19.159 0.335 0.000) 19.162 6.584 ( -0.278 -21.085 -0.000) 21.087 6.957 ( 4.398 13.356 0.000) 14.062 6.985 ( -6.635 8.805 0.000) 11.025 7.173 ( 2.476 -7.326 -0.000) 7.733 7.276 ( -7.084 4.667 -0.000) 8.483 7.377 ( 5.456 15.352 0.000) 16.293 7.548 ( 3.077 -10.110 -0.000) 10.568 7.980 ( 26.298 -5.109 0.000) 26.790 8.375 ( 13.212 5.034 0.000) 14.139 8.752 ( -14.952 2.748 -0.000) 15.202 9.023 ( -9.926 -6.231 -0.000) 11.719 9.047 ( -15.363 -8.017 -0.000) 17.329 9.281 ( 7.810 4.865 0.000) 9.202 9.600 ( 13.863 -10.790 -0.000) 17.567 9.938 ( 7.727 6.260 0.000) 9.945 10.417 ( -2.792 -4.716 -0.000) 5.480 10.805 ( 4.794 -9.595 -0.000) 10.726 10.934 ( 1.665 15.935 0.000) 16.022 11.462 ( 2.555 -2.451 -0.000) 3.540 12.055 ( -16.595 -0.627 -0.000) 16.607 12.168 ( -9.541 -2.031 -0.000) 9.755 12.773 ( 5.334 10.468 0.000) 11.749 13.043 ( 1.213 -5.348 -0.000) 5.484 13.167 ( -1.593 -0.541 -0.000) 1.682 13.374 ( 9.407 -1.132 0.000) 9.475 13.550 ( -2.104 -30.819 -0.000) 30.891 14.077 ( 0.027 -16.956 -0.000) 16.956 14.800 ( 1.418 -0.703 0.000) 1.582 15.526 ( -2.403 32.727 0.000) 32.815 16.036 ( -5.322 -9.188 -0.000) 10.618 16.340 ( 1.968 7.494 0.000) 7.748 16.517 ( 1.572 3.874 0.000) 4.181 17.044 ( -4.874 26.789 0.000) 27.228 17.971 ( -1.724 -4.445 -0.000) 4.768 19.149 ( -0.213 10.908 0.000) 10.910 19.987 ( 15.248 -16.290 -0.000) 22.313 20.445 ( 6.552 -11.709 -0.000) 13.418 21.952 ( 0.003 0.011 0.000) 0.012 22.332 ( -24.237 1.911 -0.000) 24.313 22.602 ( -2.072 1.851 0.000) 2.778 23.108 ( -1.889 -17.607 -0.000) 17.708 23.905 ( 16.451 -2.465 0.000) 16.634 26.229 ( -4.757 17.339 0.000) 17.980 ======================= Grid point 159 (95/110) ======================= q-point: ( 0.38 -0.28 -0.72) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.671 ( -0.000 -10.354 5.181) 11.578 3.207 ( 0.000 3.737 11.627) 12.213 3.776 ( -0.000 -19.183 19.310) 27.219 4.336 ( 0.000 7.483 9.496) 12.090 4.393 ( -0.000 -4.292 -6.382) 7.691 4.812 ( 0.000 3.376 -0.247) 3.385 4.857 ( 0.000 0.873 3.391) 3.502 5.369 ( 0.000 10.555 0.892) 10.592 5.595 ( 0.000 9.425 -8.979) 13.018 5.969 ( 0.000 13.334 -1.848) 13.461 6.235 ( 0.000 7.826 -4.386) 8.971 6.540 ( 0.000 -0.225 11.445) 11.447 6.555 ( 0.000 1.160 1.341) 1.773 6.786 ( 0.000 11.296 1.570) 11.404 7.278 ( -0.000 -0.247 -13.318) 13.320 7.283 ( 0.000 10.945 6.394) 12.676 7.925 ( -0.000 -11.231 6.676) 13.065 7.980 ( -0.000 -29.401 6.095) 30.026 8.131 ( -0.000 -25.234 18.967) 31.567 8.270 ( 0.000 1.757 13.800) 13.911 8.621 ( 0.000 12.255 1.989) 12.415 9.173 ( 0.000 7.307 -1.971) 7.568 9.231 ( 0.000 1.562 0.337) 1.598 9.552 ( -0.000 -18.088 2.803) 18.304 9.582 ( -0.000 -6.868 1.164) 6.966 10.042 ( 0.000 8.568 4.131) 9.512 10.424 ( -0.000 -19.202 4.373) 19.694 10.640 ( -0.000 -4.193 -0.525) 4.226 11.300 ( -0.000 -8.205 -1.502) 8.341 11.510 ( 0.000 3.173 5.985) 6.774 12.216 ( -0.000 5.930 -7.905) 9.882 12.295 ( -0.000 -2.320 -12.321) 12.537 12.549 ( -0.000 -8.279 -0.829) 8.321 12.923 ( -0.000 7.142 -17.446) 18.851 13.311 ( 0.000 -3.407 7.626) 8.352 13.476 ( -0.000 -16.860 -9.285) 19.248 13.588 ( 0.000 40.788 -4.908) 41.083 14.803 ( -0.000 -18.748 10.357) 21.418 14.863 ( 0.000 8.023 -1.426) 8.149 14.956 ( 0.000 11.418 -9.484) 14.843 15.463 ( 0.000 16.792 10.448) 19.777 16.024 ( -0.000 -24.841 -0.329) 24.843 16.949 ( -0.000 -17.662 -0.068) 17.663 16.957 ( 0.000 0.483 16.845) 16.852 18.181 ( 0.000 -0.789 6.814) 6.859 18.428 ( 0.000 29.093 15.081) 32.770 20.326 ( -0.000 -8.703 -1.657) 8.859 20.663 ( -0.000 -9.423 -8.587) 12.749 21.881 ( -0.000 0.054 -5.906) 5.907 22.582 ( 0.000 -0.842 5.663) 5.725 22.853 ( -0.000 -2.650 1.572) 3.081 23.674 ( -0.000 -2.405 0.393) 2.437 23.696 ( -0.000 -5.940 -5.115) 7.839 25.432 ( 0.000 18.482 -8.564) 20.369 ======================= Grid point 161 (96/110) ======================= q-point: ( 0.38 -0.28 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -42.429 -0.000 9.789) 43.544 2.514 ( -40.572 -0.000 13.725) 42.830 3.777 ( -26.258 -0.000 7.699) 27.364 4.347 ( 7.109 0.000 -10.913) 13.024 4.615 ( -15.811 -0.000 19.679) 25.244 4.815 ( -3.259 -0.000 6.286) 7.080 4.821 ( 26.511 0.000 4.522) 26.894 5.320 ( -0.526 -0.000 5.492) 5.517 5.695 ( -0.012 0.000 -7.520) 7.520 5.837 ( 12.474 0.000 -1.792) 12.602 6.232 ( 16.995 0.000 3.216) 17.297 6.605 ( 2.386 -0.000 18.967) 19.117 6.860 ( -10.902 -0.000 -16.384) 19.680 7.150 ( -4.978 -0.000 1.352) 5.158 7.180 ( -0.048 0.000 -7.041) 7.041 7.345 ( 23.697 0.000 19.240) 30.524 7.603 ( -14.170 -0.000 14.020) 19.933 7.749 ( 19.957 0.000 3.809) 20.318 7.913 ( 6.892 0.000 7.774) 10.389 8.481 ( 5.326 0.000 -0.634) 5.363 8.700 ( -11.256 -0.000 -3.733) 11.859 8.850 ( -2.987 -0.000 4.102) 5.074 9.120 ( -12.469 -0.000 3.400) 12.924 9.375 ( 8.936 0.000 1.453) 9.053 9.529 ( 10.742 0.000 8.130) 13.472 10.032 ( 3.585 0.000 -3.508) 5.016 10.201 ( 0.838 0.000 -6.703) 6.755 10.834 ( 7.128 0.000 11.342) 13.396 10.928 ( 0.555 0.000 -17.983) 17.991 11.441 ( 1.924 0.000 1.752) 2.602 12.004 ( -20.275 -0.000 -10.678) 22.915 12.090 ( -8.263 -0.000 -3.436) 8.949 12.912 ( 7.538 0.000 -3.720) 8.406 12.985 ( 0.611 0.000 -3.739) 3.788 13.134 ( 3.817 0.000 -2.219) 4.416 13.371 ( 0.124 -0.000 24.709) 24.709 13.420 ( 0.447 -0.000 9.750) 9.760 14.095 ( -0.381 -0.000 20.514) 20.517 14.860 ( -0.419 -0.000 6.415) 6.428 15.788 ( 0.999 0.000 -25.564) 25.584 15.841 ( -8.813 -0.000 -0.337) 8.819 16.252 ( 5.656 0.000 -7.965) 9.769 16.551 ( 2.899 0.000 4.679) 5.505 17.497 ( -8.812 0.000 -32.259) 33.441 17.597 ( -2.795 -0.000 4.273) 5.106 19.476 ( 9.148 0.000 17.101) 19.394 19.740 ( 8.779 0.000 2.702) 9.186 20.235 ( 2.180 0.000 -9.745) 9.986 21.910 ( 3.819 0.000 -3.312) 5.055 22.378 ( -29.097 -0.000 1.853) 29.156 22.822 ( -0.190 -0.000 3.620) 3.625 22.948 ( -1.044 -0.000 18.320) 18.349 23.899 ( 16.554 0.000 1.934) 16.667 26.248 ( -4.879 0.000 -16.962) 17.650 ======================= Grid point 163 (97/110) ======================= q-point: ( 0.49 -0.29 -0.71) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 0.000 7.153 -1.742) 7.362 3.499 ( 0.000 -4.484 18.468) 19.005 3.943 ( 0.000 -12.207 24.955) 27.781 4.144 ( -0.000 -3.482 -8.240) 8.945 4.552 ( -0.000 -7.118 2.359) 7.498 4.680 ( 0.000 5.779 5.145) 7.738 5.227 ( 0.000 5.771 7.337) 9.334 5.435 ( -0.000 2.783 -5.346) 6.027 5.600 ( 0.000 4.428 -3.755) 5.806 6.106 ( 0.000 -0.897 2.041) 2.230 6.373 ( 0.000 17.524 -4.087) 17.994 6.517 ( -0.000 2.966 -5.479) 6.230 6.925 ( -0.000 0.669 -2.579) 2.665 6.975 ( 0.000 8.671 1.813) 8.859 7.125 ( 0.000 6.338 5.195) 8.196 7.638 ( 0.000 -8.732 13.613) 16.173 7.742 ( 0.000 5.442 7.351) 9.147 7.757 ( -0.000 -12.297 9.252) 15.389 8.065 ( 0.000 -30.218 34.427) 45.808 8.502 ( 0.000 -2.306 7.013) 7.382 8.794 ( 0.000 3.932 -2.023) 4.422 9.106 ( -0.000 -8.417 5.145) 9.865 9.159 ( -0.000 0.040 -4.897) 4.897 9.573 ( 0.000 -1.027 7.829) 7.896 9.669 ( 0.000 4.957 6.497) 8.172 10.064 ( -0.000 -3.228 -3.750) 4.948 10.441 ( -0.000 -9.723 -4.971) 10.920 10.461 ( 0.000 -5.011 16.628) 17.366 11.180 ( 0.000 -6.128 6.907) 9.234 11.595 ( -0.000 -5.917 2.057) 6.265 12.083 ( -0.000 3.061 -5.592) 6.375 12.122 ( -0.000 11.488 -18.375) 21.671 12.323 ( -0.000 -10.374 -2.956) 10.787 12.730 ( -0.000 4.719 -14.414) 15.167 12.926 ( -0.000 -1.839 -7.206) 7.437 13.648 ( 0.000 0.193 17.567) 17.568 14.247 ( 0.000 35.753 -11.032) 37.416 14.649 ( -0.000 -17.719 11.652) 21.207 14.833 ( -0.000 12.580 -28.370) 31.034 15.019 ( 0.000 7.174 -1.395) 7.309 15.693 ( 0.000 -18.420 20.254) 27.378 16.045 ( 0.000 14.111 10.623) 17.663 16.580 ( -0.000 -21.836 5.480) 22.513 17.142 ( -0.000 -7.025 5.586) 8.976 18.171 ( -0.000 -9.556 0.733) 9.584 19.266 ( 0.000 18.896 19.544) 27.185 20.093 ( -0.000 -10.781 -0.529) 10.794 20.178 ( -0.000 -11.118 -19.469) 22.420 21.762 ( -0.000 -0.752 -5.811) 5.859 22.699 ( 0.000 5.083 3.341) 6.083 22.882 ( 0.000 -1.717 6.484) 6.707 23.539 ( -0.000 -3.987 0.667) 4.042 23.654 ( 0.000 -1.174 1.474) 1.885 25.566 ( 0.000 16.918 -15.829) 23.168 ======================= Grid point 167 (98/110) ======================= q-point: (-0.41 0.71 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.799 ( 0.000 4.332 -1.592) 4.615 3.610 ( -0.000 -5.978 -3.562) 6.958 3.961 ( 0.000 -1.084 13.835) 13.878 4.220 ( 0.000 -11.882 20.831) 23.982 4.572 ( 0.000 3.983 4.542) 6.041 4.825 ( -0.000 -1.340 1.130) 1.752 5.142 ( -0.000 -9.769 -7.778) 12.487 5.428 ( 0.000 5.413 -4.634) 7.126 5.719 ( 0.000 0.479 9.786) 9.797 6.138 ( 0.000 1.674 0.840) 1.873 6.480 ( -0.000 -2.314 -10.464) 10.717 6.567 ( 0.000 9.645 -4.208) 10.523 6.858 ( -0.000 1.469 -7.934) 8.068 6.954 ( 0.000 12.498 -4.470) 13.273 7.624 ( 0.000 9.110 14.520) 17.142 7.821 ( 0.000 -3.834 25.281) 25.570 7.930 ( 0.000 -0.115 8.146) 8.147 7.973 ( 0.000 6.621 13.184) 14.753 8.192 ( 0.000 -13.068 16.063) 20.707 8.487 ( -0.000 -1.779 0.147) 1.785 8.751 ( -0.000 -0.712 -2.393) 2.497 9.007 ( -0.000 -13.392 4.009) 13.979 9.038 ( -0.000 -5.104 -4.197) 6.608 9.681 ( 0.000 -8.019 11.614) 14.113 9.875 ( -0.000 -0.964 -10.926) 10.968 9.907 ( 0.000 3.254 8.899) 9.475 10.185 ( -0.000 -8.267 2.655) 8.683 10.701 ( 0.000 -5.621 26.011) 26.611 11.332 ( 0.000 0.289 13.753) 13.756 11.397 ( -0.000 -4.412 -7.027) 8.297 12.036 ( -0.000 -7.255 -4.314) 8.441 12.047 ( -0.000 14.395 -18.185) 23.193 12.207 ( 0.000 3.403 6.651) 7.471 12.505 ( -0.000 -1.426 -13.228) 13.305 13.173 ( 0.000 15.261 11.545) 19.136 14.033 ( 0.000 3.669 18.017) 18.386 14.296 ( -0.000 8.642 -44.731) 45.558 14.506 ( -0.000 -15.616 10.089) 18.592 14.630 ( 0.000 19.998 -14.463) 24.679 15.089 ( -0.000 8.545 -10.026) 13.173 16.015 ( 0.000 -5.491 36.037) 36.453 16.321 ( -0.000 -16.705 10.397) 19.676 16.421 ( 0.000 4.340 5.463) 6.977 16.875 ( -0.000 -14.687 -4.098) 15.248 17.842 ( -0.000 -13.885 -5.842) 15.064 19.475 ( -0.000 -7.211 -31.056) 31.882 19.934 ( 0.000 8.024 18.428) 20.099 19.941 ( -0.000 -6.262 4.629) 7.787 21.624 ( -0.000 -0.982 -6.570) 6.643 22.891 ( 0.000 5.509 2.568) 6.078 23.064 ( 0.000 3.936 10.740) 11.439 23.533 ( 0.000 -2.608 3.884) 4.678 23.682 ( 0.000 -0.244 2.898) 2.908 25.510 ( -0.000 9.607 -18.566) 20.904 ======================= Grid point 171 (99/110) ======================= q-point: (-0.30 0.70 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.900 ( 0.000 -0.000 7.878) 7.878 3.363 ( -0.000 0.000 -11.859) 11.859 4.328 ( 0.000 -0.000 21.868) 21.868 4.492 ( -0.000 0.000 -21.128) 21.128 4.503 ( 0.000 -0.000 23.119) 23.119 4.880 ( 0.000 -0.000 11.039) 11.039 4.998 ( 0.000 -0.000 7.086) 7.086 5.367 ( -0.000 0.000 -8.192) 8.192 5.883 ( 0.000 -0.000 5.173) 5.173 6.033 ( -0.000 0.000 -16.586) 16.586 6.291 ( 0.000 -0.000 0.173) 0.173 6.598 ( -0.000 0.000 -3.561) 3.561 6.665 ( -0.000 0.000 -11.289) 11.289 7.032 ( -0.000 0.000 -5.855) 5.855 7.866 ( -0.000 0.000 -18.375) 18.375 8.044 ( 0.000 -0.000 2.696) 2.696 8.080 ( 0.000 -0.000 2.468) 2.468 8.324 ( 0.000 -0.000 17.789) 17.789 8.411 ( 0.000 -0.000 26.449) 26.449 8.633 ( 0.000 -0.000 7.954) 7.954 8.775 ( 0.000 -0.000 1.145) 1.145 8.782 ( -0.000 0.000 -0.927) 0.927 8.789 ( 0.000 -0.000 0.100) 0.100 9.681 ( 0.000 -0.000 2.088) 2.088 9.755 ( -0.000 0.000 -0.745) 0.745 10.150 ( 0.000 -0.000 12.801) 12.801 10.264 ( 0.000 -0.000 12.527) 12.527 11.189 ( -0.000 0.000 -10.369) 10.369 11.265 ( 0.000 -0.000 32.286) 32.286 11.571 ( 0.000 -0.000 1.916) 1.916 11.951 ( 0.000 -0.000 6.788) 6.788 11.974 ( -0.000 0.000 -1.040) 1.040 12.219 ( -0.000 0.000 -12.623) 12.623 12.411 ( 0.000 -0.000 10.047) 10.047 13.459 ( -0.000 0.000 -50.512) 50.512 13.675 ( 0.000 -0.000 18.674) 18.674 14.263 ( -0.000 0.000 -2.178) 2.178 14.467 ( -0.000 0.000 -24.328) 24.328 14.632 ( 0.000 -0.000 23.405) 23.405 14.901 ( -0.000 0.000 -22.485) 22.485 16.249 ( -0.000 0.000 -13.329) 13.329 16.351 ( 0.000 -0.000 12.443) 12.443 16.679 ( 0.000 -0.000 26.936) 26.936 16.960 ( 0.000 -0.000 34.544) 34.544 17.535 ( -0.000 0.000 -9.566) 9.566 18.689 ( -0.000 0.000 -41.655) 41.655 20.001 ( 0.000 -0.000 6.432) 6.432 20.336 ( 0.000 -0.000 14.628) 14.628 21.482 ( -0.000 0.000 -6.817) 6.817 22.988 ( 0.000 -0.000 1.026) 1.026 23.359 ( 0.000 -0.000 12.770) 12.770 23.529 ( -0.000 0.000 -1.498) 1.498 23.749 ( 0.000 -0.000 4.159) 4.159 25.262 ( -0.000 0.000 -17.092) 17.092 ======================= Grid point 190 (100/110) ======================= q-point: ( 0.33 -0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -0.000 -7.781 -0.000) 7.781 3.090 ( 0.000 3.307 0.000) 3.307 3.574 ( -0.000 -21.700 -0.000) 21.700 4.239 ( 0.000 8.189 0.000) 8.189 4.456 ( -0.000 -4.165 -0.000) 4.165 4.735 ( 0.000 10.557 0.000) 10.557 4.899 ( -0.000 -5.947 -0.000) 5.947 5.356 ( 0.000 12.712 0.000) 12.712 5.703 ( 0.000 7.162 0.000) 7.162 5.997 ( 0.000 13.814 0.000) 13.814 6.280 ( 0.000 10.804 0.000) 10.804 6.417 ( -0.000 -4.285 -0.000) 4.285 6.526 ( 0.000 10.524 0.000) 10.524 6.764 ( 0.000 7.341 0.000) 7.341 7.227 ( 0.000 8.423 0.000) 8.423 7.503 ( 0.000 3.059 0.000) 3.059 7.733 ( -0.000 -17.806 -0.000) 17.806 7.863 ( -0.000 -25.543 -0.000) 25.543 7.993 ( -0.000 -32.389 -0.000) 32.389 8.156 ( 0.000 2.619 0.000) 2.619 8.605 ( 0.000 15.292 0.000) 15.292 9.193 ( 0.000 9.045 0.000) 9.045 9.230 ( 0.000 4.383 0.000) 4.383 9.520 ( -0.000 -23.916 -0.000) 23.916 9.574 ( -0.000 -8.375 -0.000) 8.375 10.007 ( 0.000 13.501 0.000) 13.501 10.390 ( -0.000 -21.087 -0.000) 21.087 10.642 ( -0.000 -3.236 -0.000) 3.236 11.320 ( -0.000 -9.548 -0.000) 9.548 11.449 ( 0.000 3.464 0.000) 3.464 12.283 ( 0.000 5.951 0.000) 5.951 12.438 ( -0.000 -4.085 -0.000) 4.085 12.552 ( -0.000 -7.591 -0.000) 7.591 13.131 ( 0.000 5.080 0.000) 5.080 13.188 ( -0.000 -0.259 -0.000) 0.259 13.619 ( -0.000 -20.684 -0.000) 20.684 13.620 ( 0.000 42.523 0.000) 42.523 14.679 ( -0.000 -20.378 -0.000) 20.378 14.831 ( 0.000 0.998 0.000) 0.998 15.031 ( 0.000 2.259 0.000) 2.259 15.374 ( 0.000 24.312 0.000) 24.312 16.127 ( -0.000 -15.006 -0.000) 15.006 16.736 ( 0.000 3.208 0.000) 3.208 16.959 ( -0.000 -18.804 -0.000) 18.804 18.103 ( 0.000 0.274 0.000) 0.274 18.273 ( 0.000 31.115 0.000) 31.115 20.342 ( -0.000 -9.056 -0.000) 9.056 20.745 ( -0.000 -8.833 -0.000) 8.833 21.953 ( -0.000 -0.027 -0.000) 0.027 22.505 ( -0.000 -1.222 -0.000) 1.222 22.844 ( -0.000 -3.019 -0.000) 3.019 23.670 ( -0.000 -2.553 -0.000) 2.553 23.748 ( -0.000 -8.076 -0.000) 8.076 25.517 ( 0.000 19.172 0.000) 19.172 ======================= Grid point 192 (101/110) ======================= q-point: ( 0.33 -0.33 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -36.108 -0.000 0.000) 36.108 2.378 ( -43.726 -0.000 0.000) 43.726 3.673 ( -70.684 -0.000 0.000) 70.684 4.402 ( 5.321 0.000 -0.000) 5.321 4.463 ( 7.511 0.000 -0.000) 7.511 4.769 ( 27.237 0.000 -0.000) 27.237 4.770 ( -4.714 -0.000 0.000) 4.714 5.265 ( -0.066 -0.000 0.000) 0.066 5.757 ( -2.869 -0.000 0.000) 2.869 5.853 ( 12.199 0.000 -0.000) 12.199 6.331 ( 1.342 0.000 -0.000) 1.342 6.347 ( 24.939 0.000 -0.000) 24.939 6.982 ( 36.546 0.000 -0.000) 36.546 7.094 ( -13.512 -0.000 0.000) 13.512 7.208 ( -7.431 -0.000 0.000) 7.431 7.238 ( -3.482 -0.000 0.000) 3.482 7.420 ( -10.583 -0.000 0.000) 10.583 7.748 ( 11.148 0.000 -0.000) 11.148 7.817 ( 8.019 0.000 -0.000) 8.019 8.488 ( 6.618 0.000 -0.000) 6.618 8.728 ( -2.202 -0.000 0.000) 2.202 8.815 ( -11.388 -0.000 0.000) 11.388 9.067 ( -14.779 -0.000 0.000) 14.779 9.363 ( 8.378 0.000 -0.000) 8.378 9.459 ( 13.001 0.000 -0.000) 13.001 10.083 ( 1.860 0.000 -0.000) 1.860 10.287 ( -0.183 -0.000 0.000) 0.183 10.705 ( 8.757 0.000 -0.000) 8.757 11.120 ( 2.154 0.000 -0.000) 2.154 11.420 ( 1.629 0.000 -0.000) 1.629 12.131 ( -8.800 -0.000 0.000) 8.800 12.164 ( -23.863 -0.000 0.000) 23.863 12.932 ( 0.262 0.000 -0.000) 0.262 12.996 ( -1.206 -0.000 0.000) 1.206 13.076 ( 9.965 0.000 -0.000) 9.965 13.151 ( -0.327 -0.000 0.000) 0.327 13.356 ( 7.025 0.000 -0.000) 7.025 13.884 ( 0.118 0.000 -0.000) 0.118 14.794 ( 1.540 0.000 -0.000) 1.540 15.844 ( -9.202 -0.000 0.000) 9.202 16.072 ( 3.757 0.000 -0.000) 3.757 16.334 ( 6.027 0.000 -0.000) 6.027 16.473 ( -0.644 -0.000 0.000) 0.644 17.546 ( -2.612 -0.000 0.000) 2.612 17.893 ( 1.124 0.000 -0.000) 1.124 19.262 ( -0.230 -0.000 0.000) 0.230 19.711 ( 9.773 0.000 -0.000) 9.773 20.330 ( 1.430 0.000 -0.000) 1.430 21.953 ( 0.003 0.000 -0.000) 0.003 22.360 ( -28.574 -0.000 0.000) 28.574 22.732 ( -2.119 -0.000 0.000) 2.119 22.787 ( -0.348 -0.000 0.000) 0.348 23.881 ( 16.171 0.000 -0.000) 16.171 26.426 ( 0.526 0.000 -0.000) 0.526 ======================= Grid point 194 (102/110) ======================= q-point: ( 0.44 -0.34 -0.66) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.791 ( 0.000 20.828 -3.997) 21.208 3.194 ( 0.000 -6.152 12.415) 13.856 3.430 ( 0.000 -12.928 22.883) 26.282 4.327 ( -0.000 -2.117 -7.363) 7.662 4.395 ( 0.000 -1.154 8.492) 8.570 4.738 ( -0.000 -1.982 -5.784) 6.114 5.054 ( 0.000 9.540 8.457) 12.749 5.505 ( 0.000 3.900 -1.980) 4.374 5.701 ( -0.000 2.163 -5.004) 5.451 6.100 ( -0.000 -4.627 -1.202) 4.781 6.428 ( 0.000 11.385 -1.246) 11.453 6.651 ( -0.000 5.544 -8.258) 9.946 6.728 ( 0.000 14.361 12.506) 19.044 6.919 ( -0.000 -10.009 2.205) 10.249 7.249 ( -0.000 -2.144 -7.877) 8.164 7.324 ( 0.000 -5.935 20.519) 21.360 7.520 ( -0.000 -22.746 13.994) 26.706 7.597 ( -0.000 -12.257 6.182) 13.728 7.651 ( 0.000 0.032 5.716) 5.716 8.299 ( 0.000 0.105 11.884) 11.884 8.838 ( 0.000 7.823 -1.926) 8.057 9.092 ( -0.000 -5.122 -2.162) 5.560 9.254 ( -0.000 0.354 -4.227) 4.242 9.437 ( 0.000 -1.875 5.718) 6.018 9.579 ( 0.000 6.158 2.839) 6.781 9.965 ( -0.000 -20.738 9.888) 22.975 10.393 ( 0.000 17.605 -4.654) 18.210 10.527 ( -0.000 -6.613 -2.977) 7.253 11.087 ( -0.000 -12.143 2.333) 12.365 11.517 ( 0.000 -2.080 4.273) 4.753 12.241 ( -0.000 -2.110 -8.443) 8.702 12.364 ( -0.000 -8.985 -1.554) 9.119 12.378 ( 0.000 10.264 -8.120) 13.087 13.024 ( -0.000 3.155 -14.178) 14.525 13.109 ( -0.000 -10.731 -10.032) 14.690 13.357 ( 0.000 0.020 11.437) 11.437 14.362 ( 0.000 21.895 -1.043) 21.919 14.381 ( -0.000 -23.014 14.504) 27.203 14.890 ( 0.000 -1.261 8.321) 8.416 15.000 ( 0.000 2.508 6.313) 6.794 15.796 ( -0.000 6.601 -20.516) 21.552 15.998 ( 0.000 28.518 -4.972) 28.948 16.528 ( -0.000 -21.639 0.703) 21.650 16.968 ( 0.000 0.367 11.922) 11.928 18.120 ( -0.000 -5.394 3.533) 6.448 18.945 ( 0.000 20.671 12.739) 24.281 20.106 ( -0.000 -12.780 -0.785) 12.804 20.457 ( -0.000 -9.960 -9.676) 13.886 21.878 ( -0.000 -0.217 -6.061) 6.065 22.586 ( 0.000 1.946 7.597) 7.842 22.799 ( -0.000 -2.421 2.231) 3.292 23.534 ( -0.000 -10.415 -0.064) 10.415 23.634 ( -0.000 -1.535 0.691) 1.683 25.823 ( 0.000 18.753 -10.061) 21.282 ======================= Grid point 198 (103/110) ======================= q-point: (-0.46 0.66 0.34) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( -0.000 14.354 -17.355) 22.522 3.386 ( 0.000 -4.431 18.393) 18.920 3.680 ( 0.000 -12.771 26.130) 29.083 4.103 ( -0.000 -0.969 -10.535) 10.579 4.461 ( 0.000 -1.168 6.059) 6.170 4.761 ( 0.000 1.969 3.868) 4.341 5.303 ( -0.000 1.443 -3.053) 3.377 5.515 ( 0.000 5.315 -3.790) 6.528 5.576 ( -0.000 -5.857 1.129) 5.965 6.009 ( 0.000 -7.244 8.818) 11.412 6.617 ( 0.000 5.413 4.827) 7.253 6.679 ( 0.000 9.186 -6.109) 11.032 6.880 ( 0.000 -1.833 3.428) 3.887 7.019 ( -0.000 -2.923 1.123) 3.132 7.265 ( 0.000 7.699 14.944) 16.810 7.388 ( 0.000 -18.478 23.077) 29.564 7.546 ( 0.000 -7.394 13.752) 15.613 7.760 ( 0.000 10.995 8.503) 13.900 8.002 ( 0.000 8.992 10.945) 14.165 8.457 ( 0.000 -1.519 4.427) 4.681 8.840 ( -0.000 1.185 -6.013) 6.129 8.969 ( -0.000 -7.507 -0.787) 7.548 9.161 ( -0.000 0.130 -6.808) 6.809 9.456 ( 0.000 -7.521 10.481) 12.900 9.778 ( 0.000 5.538 4.009) 6.837 9.909 ( 0.000 -9.213 13.865) 16.647 10.225 ( -0.000 -10.675 -6.069) 12.280 10.490 ( -0.000 4.894 -8.569) 9.868 11.062 ( 0.000 -4.482 13.435) 14.163 11.478 ( -0.000 -4.644 -1.079) 4.767 12.125 ( -0.000 -2.092 -4.300) 4.782 12.154 ( -0.000 -2.276 -2.083) 3.085 12.395 ( -0.000 13.985 -15.960) 21.221 12.771 ( -0.000 -1.614 -14.624) 14.713 13.016 ( 0.000 9.420 4.887) 10.612 13.669 ( 0.000 2.311 18.546) 18.690 14.241 ( -0.000 -21.584 18.134) 28.191 14.631 ( 0.000 0.962 14.188) 14.221 15.033 ( -0.000 4.721 -8.735) 9.929 15.129 ( -0.000 4.428 -14.417) 15.081 15.636 ( 0.000 16.175 -1.947) 16.292 16.181 ( -0.000 -15.040 4.355) 15.658 16.442 ( 0.000 17.709 -6.232) 18.773 16.982 ( -0.000 -5.702 -6.108) 8.356 17.913 ( -0.000 -14.604 -1.969) 14.736 19.562 ( 0.000 9.796 17.917) 20.420 19.860 ( -0.000 -10.527 3.536) 11.105 19.985 ( -0.000 -7.056 -20.590) 21.765 21.749 ( -0.000 -0.431 -6.546) 6.561 22.821 ( 0.000 3.760 4.769) 6.073 22.881 ( 0.000 4.021 8.492) 9.395 23.411 ( 0.000 -7.965 8.161) 11.404 23.637 ( 0.000 -0.557 1.875) 1.956 25.866 ( -0.000 11.124 -17.863) 21.044 ======================= Grid point 202 (104/110) ======================= q-point: (-0.35 0.65 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -0.000 0.000 -5.480) 5.480 3.535 ( -0.000 0.000 -1.243) 1.243 3.997 ( 0.000 -0.000 7.588) 7.588 4.042 ( 0.000 -0.000 25.419) 25.419 4.662 ( 0.000 -0.000 11.070) 11.070 4.795 ( -0.000 0.000 -4.488) 4.488 4.987 ( -0.000 0.000 -11.306) 11.306 5.493 ( -0.000 0.000 -6.067) 6.067 5.718 ( 0.000 -0.000 11.018) 11.018 6.182 ( 0.000 -0.000 11.332) 11.332 6.396 ( -0.000 0.000 -19.321) 19.321 6.708 ( -0.000 0.000 -7.735) 7.735 6.871 ( -0.000 0.000 -7.169) 7.169 7.122 ( -0.000 0.000 -2.903) 2.903 7.739 ( 0.000 -0.000 35.887) 35.887 7.765 ( 0.000 -0.000 24.315) 24.315 7.863 ( 0.000 -0.000 28.160) 28.160 8.019 ( 0.000 -0.000 4.080) 4.080 8.142 ( -0.000 0.000 -7.873) 7.873 8.516 ( 0.000 -0.000 4.173) 4.173 8.782 ( -0.000 0.000 -0.483) 0.483 8.798 ( -0.000 0.000 -1.192) 1.192 8.944 ( -0.000 0.000 -12.348) 12.348 9.571 ( 0.000 -0.000 8.900) 8.900 9.880 ( -0.000 0.000 -9.430) 9.430 9.951 ( 0.000 -0.000 7.887) 7.887 10.084 ( 0.000 -0.000 5.323) 5.323 10.647 ( 0.000 -0.000 26.146) 26.146 11.332 ( 0.000 -0.000 16.745) 16.745 11.350 ( -0.000 0.000 -6.331) 6.331 11.960 ( -0.000 0.000 -4.240) 4.240 12.242 ( 0.000 -0.000 7.086) 7.086 12.242 ( -0.000 0.000 -20.380) 20.380 12.456 ( -0.000 0.000 -11.720) 11.720 13.368 ( 0.000 -0.000 13.163) 13.163 14.186 ( 0.000 -0.000 22.999) 22.999 14.200 ( 0.000 -0.000 9.513) 9.513 14.384 ( -0.000 0.000 -45.474) 45.474 14.823 ( -0.000 0.000 -8.103) 8.103 15.178 ( -0.000 0.000 -2.723) 2.723 16.042 ( 0.000 -0.000 25.491) 25.491 16.138 ( 0.000 -0.000 9.012) 9.012 16.446 ( -0.000 0.000 -7.182) 7.182 16.706 ( -0.000 0.000 -3.636) 3.636 17.669 ( -0.000 0.000 -4.278) 4.278 19.397 ( -0.000 0.000 -31.982) 31.982 19.869 ( 0.000 -0.000 7.158) 7.158 20.018 ( 0.000 -0.000 18.209) 18.209 21.614 ( -0.000 0.000 -6.900) 6.900 22.940 ( 0.000 -0.000 4.092) 4.092 23.134 ( 0.000 -0.000 10.130) 10.130 23.488 ( 0.000 -0.000 6.135) 6.135 23.680 ( 0.000 -0.000 3.089) 3.089 25.613 ( -0.000 0.000 -19.391) 19.391 ======================= Grid point 226 (105/110) ======================= q-point: ( 0.39 -0.39 -0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 0.000 27.375 0.000) 27.375 3.058 ( -0.000 -10.767 -0.000) 10.767 3.201 ( -0.000 -9.838 -0.000) 9.838 4.308 ( -0.000 -0.132 -0.000) 0.132 4.398 ( -0.000 -1.506 -0.000) 1.506 4.804 ( -0.000 -3.627 -0.000) 3.627 4.964 ( 0.000 10.827 0.000) 10.827 5.523 ( 0.000 4.880 0.000) 4.880 5.755 ( 0.000 0.997 0.000) 0.997 6.119 ( -0.000 -5.379 -0.000) 5.379 6.427 ( 0.000 0.115 0.000) 0.115 6.609 ( 0.000 19.464 0.000) 19.464 6.789 ( 0.000 14.264 0.000) 14.264 6.891 ( -0.000 -24.690 -0.000) 24.690 7.038 ( -0.000 -10.682 -0.000) 10.682 7.330 ( -0.000 -10.017 -0.000) 10.017 7.393 ( -0.000 -14.785 -0.000) 14.785 7.545 ( -0.000 -1.247 -0.000) 1.247 7.606 ( 0.000 1.351 0.000) 1.351 8.161 ( -0.000 -0.805 -0.000) 0.805 8.857 ( 0.000 9.052 0.000) 9.052 9.123 ( -0.000 -4.289 -0.000) 4.289 9.297 ( -0.000 -0.492 -0.000) 0.492 9.377 ( -0.000 -0.091 -0.000) 0.091 9.554 ( 0.000 7.732 0.000) 7.732 9.860 ( -0.000 -24.812 -0.000) 24.812 10.451 ( 0.000 21.443 0.000) 21.443 10.551 ( -0.000 -5.082 -0.000) 5.082 11.073 ( -0.000 -14.448 -0.000) 14.448 11.472 ( -0.000 -0.959 -0.000) 0.959 12.328 ( -0.000 -5.062 -0.000) 5.062 12.387 ( -0.000 -7.895 -0.000) 7.895 12.452 ( 0.000 10.515 0.000) 10.515 13.177 ( 0.000 0.698 0.000) 0.698 13.180 ( -0.000 -3.718 -0.000) 3.718 13.291 ( -0.000 -8.281 -0.000) 8.281 14.209 ( -0.000 -26.280 -0.000) 26.280 14.349 ( 0.000 9.079 0.000) 9.079 14.796 ( -0.000 -0.767 -0.000) 0.767 14.933 ( 0.000 9.628 0.000) 9.628 15.953 ( 0.000 27.808 0.000) 27.808 16.186 ( 0.000 15.459 0.000) 15.459 16.526 ( -0.000 -21.922 -0.000) 21.922 16.791 ( 0.000 3.346 0.000) 3.346 18.079 ( -0.000 -2.755 -0.000) 2.755 18.817 ( 0.000 21.517 0.000) 21.517 20.115 ( -0.000 -13.176 -0.000) 13.176 20.550 ( -0.000 -9.530 -0.000) 9.530 21.952 ( -0.000 -0.001 -0.000) 0.001 22.490 ( 0.000 0.637 0.000) 0.637 22.780 ( -0.000 -2.976 -0.000) 2.976 23.536 ( -0.000 -13.221 -0.000) 13.221 23.627 ( -0.000 -1.665 -0.000) 1.665 25.923 ( 0.000 19.557 0.000) 19.557 ======================= Grid point 230 (106/110) ======================= q-point: ( 0.49 -0.39 -0.61) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.019 ( 0.000 -7.481 20.173) 21.516 3.224 ( 0.000 -8.654 15.984) 18.177 3.380 ( 0.000 31.128 -20.225) 37.122 4.303 ( -0.000 -0.391 -8.308) 8.317 4.349 ( 0.000 -1.758 5.481) 5.756 4.719 ( -0.000 -0.662 0.191) 0.689 5.227 ( 0.000 7.216 6.062) 9.424 5.564 ( 0.000 2.683 -1.736) 3.196 5.686 ( -0.000 -6.588 -7.915) 10.298 5.889 ( -0.000 -13.114 2.941) 13.440 6.294 ( -0.000 -23.661 20.675) 31.421 6.486 ( 0.000 -3.521 20.977) 21.271 6.817 ( 0.000 -14.350 14.736) 20.569 6.994 ( 0.000 9.775 -3.192) 10.283 7.051 ( -0.000 1.971 -2.573) 3.241 7.281 ( -0.000 4.474 -8.911) 9.971 7.491 ( 0.000 5.466 0.305) 5.475 7.621 ( 0.000 10.835 6.756) 12.769 7.760 ( 0.000 5.065 11.887) 12.921 8.318 ( 0.000 3.873 8.537) 9.374 8.944 ( -0.000 2.992 -4.169) 5.131 9.026 ( -0.000 -6.815 -4.116) 7.961 9.250 ( -0.000 -0.313 -2.239) 2.261 9.317 ( -0.000 -8.769 3.710) 9.522 9.569 ( 0.000 -12.889 16.687) 21.085 9.764 ( 0.000 11.195 -1.851) 11.347 10.367 ( -0.000 -9.503 -7.165) 11.902 10.753 ( 0.000 14.292 -12.964) 19.296 10.843 ( -0.000 -9.872 8.852) 13.260 11.458 ( -0.000 -2.941 1.987) 3.549 12.208 ( -0.000 -2.014 -4.426) 4.863 12.249 ( -0.000 0.073 -5.730) 5.730 12.619 ( 0.000 12.127 -7.559) 14.290 12.985 ( -0.000 -0.390 -1.643) 1.688 13.039 ( -0.000 -1.931 -11.688) 11.846 13.369 ( 0.000 0.682 11.502) 11.523 13.844 ( -0.000 -28.201 21.264) 35.319 14.261 ( 0.000 -13.938 17.837) 22.637 14.874 ( 0.000 -1.223 8.885) 8.969 15.467 ( 0.000 28.017 -9.170) 29.480 15.972 ( -0.000 9.519 -24.326) 26.122 16.138 ( -0.000 -14.349 0.690) 14.365 16.529 ( 0.000 11.538 -0.745) 11.562 17.085 ( 0.000 18.587 -3.356) 18.888 17.951 ( -0.000 -11.352 -2.699) 11.668 19.268 ( 0.000 10.572 11.607) 15.700 19.814 ( -0.000 -14.329 1.182) 14.378 20.283 ( -0.000 -6.385 -10.369) 12.178 21.874 ( -0.000 -0.142 -6.350) 6.352 22.684 ( 0.000 7.535 9.384) 12.035 22.762 ( 0.000 -0.650 3.486) 3.546 23.262 ( -0.000 -15.450 6.126) 16.620 23.610 ( 0.000 -0.774 0.916) 1.199 26.158 ( 0.000 12.608 -11.608) 17.138 ======================= Grid point 234 (107/110) ======================= q-point: (-0.40 0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.158 ( -0.000 0.000 -25.777) 25.777 3.352 ( 0.000 -0.000 14.477) 14.477 3.513 ( 0.000 -0.000 29.950) 29.950 4.094 ( -0.000 0.000 -11.557) 11.557 4.473 ( 0.000 -0.000 8.360) 8.360 4.773 ( 0.000 -0.000 2.902) 2.902 5.290 ( -0.000 0.000 -15.356) 15.356 5.500 ( 0.000 -0.000 10.883) 10.883 5.604 ( -0.000 0.000 -5.099) 5.099 5.896 ( 0.000 -0.000 16.371) 16.371 6.683 ( 0.000 -0.000 29.157) 29.157 6.748 ( -0.000 0.000 -17.595) 17.595 6.886 ( -0.000 0.000 -10.769) 10.769 6.998 ( 0.000 -0.000 23.190) 23.190 7.144 ( 0.000 -0.000 29.668) 29.668 7.371 ( 0.000 -0.000 6.962) 6.962 7.492 ( 0.000 -0.000 2.812) 2.812 7.917 ( 0.000 -0.000 6.669) 6.669 8.104 ( 0.000 -0.000 10.915) 10.915 8.466 ( 0.000 -0.000 1.262) 1.262 8.825 ( -0.000 0.000 -0.809) 0.809 8.854 ( -0.000 0.000 -6.496) 6.496 9.161 ( -0.000 0.000 -8.599) 8.599 9.376 ( 0.000 -0.000 9.963) 9.963 9.803 ( 0.000 -0.000 18.560) 18.560 9.872 ( -0.000 0.000 -0.510) 0.510 10.070 ( -0.000 0.000 -3.401) 3.401 10.550 ( -0.000 0.000 -15.524) 15.524 11.015 ( 0.000 -0.000 15.845) 15.845 11.424 ( -0.000 0.000 -1.403) 1.403 12.076 ( -0.000 0.000 -7.892) 7.892 12.160 ( 0.000 -0.000 1.037) 1.037 12.647 ( -0.000 0.000 -20.529) 20.529 12.655 ( -0.000 0.000 -8.812) 8.812 13.171 ( 0.000 -0.000 7.576) 7.576 13.764 ( 0.000 -0.000 20.592) 20.592 13.886 ( 0.000 -0.000 22.863) 22.863 14.596 ( 0.000 -0.000 26.836) 26.836 15.058 ( 0.000 -0.000 10.365) 10.365 15.180 ( -0.000 0.000 -37.027) 37.027 15.945 ( -0.000 0.000 -9.148) 9.148 16.019 ( 0.000 -0.000 3.540) 3.540 16.527 ( -0.000 0.000 -1.511) 1.511 17.030 ( -0.000 0.000 -27.163) 27.163 17.695 ( 0.000 -0.000 1.437) 1.437 19.665 ( 0.000 -0.000 17.750) 17.750 19.735 ( 0.000 -0.000 6.534) 6.534 19.908 ( -0.000 0.000 -21.352) 21.352 21.745 ( -0.000 0.000 -6.769) 6.769 22.836 ( 0.000 -0.000 6.104) 6.104 22.987 ( 0.000 -0.000 5.416) 5.416 23.288 ( 0.000 -0.000 14.594) 14.594 23.631 ( 0.000 -0.000 2.027) 2.027 25.986 ( -0.000 0.000 -18.793) 18.793 ======================= Grid point 263 (108/110) ======================= q-point: ( 0.44 -0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.781 ( -0.000 -11.062 -0.000) 11.062 3.083 ( -0.000 -4.960 -0.000) 4.960 3.606 ( 0.000 43.405 0.000) 43.405 4.283 ( -0.000 -1.431 -0.000) 1.431 4.386 ( 0.000 0.029 0.000) 0.029 4.728 ( -0.000 -4.208 -0.000) 4.208 5.162 ( 0.000 8.013 0.000) 8.013 5.587 ( 0.000 1.597 0.000) 1.597 5.790 ( -0.000 -0.758 -0.000) 0.758 5.877 ( -0.000 -15.601 -0.000) 15.601 6.045 ( -0.000 -40.093 -0.000) 40.093 6.229 ( -0.000 -9.634 -0.000) 9.634 6.626 ( -0.000 -20.563 -0.000) 20.563 7.031 ( 0.000 18.479 0.000) 18.479 7.159 ( 0.000 15.152 0.000) 15.152 7.442 ( 0.000 7.132 0.000) 7.132 7.458 ( 0.000 3.117 0.000) 3.117 7.485 ( 0.000 6.183 0.000) 6.183 7.649 ( -0.000 -0.079 -0.000) 0.079 8.217 ( 0.000 8.240 0.000) 8.240 8.985 ( 0.000 3.810 0.000) 3.810 9.081 ( -0.000 -7.248 -0.000) 7.248 9.267 ( -0.000 -1.612 -0.000) 1.612 9.303 ( -0.000 -13.375 -0.000) 13.375 9.371 ( -0.000 -9.418 -0.000) 9.418 9.794 ( 0.000 14.442 0.000) 14.442 10.445 ( -0.000 -5.936 -0.000) 5.936 10.751 ( -0.000 -15.009 -0.000) 15.009 10.887 ( 0.000 17.795 0.000) 17.795 11.436 ( -0.000 -2.072 -0.000) 2.072 12.259 ( -0.000 -2.273 -0.000) 2.273 12.312 ( 0.000 4.672 0.000) 4.672 12.692 ( 0.000 11.681 0.000) 11.681 13.029 ( -0.000 -6.218 -0.000) 6.218 13.159 ( -0.000 -2.375 -0.000) 2.375 13.268 ( 0.000 1.007 0.000) 1.007 13.577 ( -0.000 -34.210 -0.000) 34.210 14.076 ( -0.000 -16.977 -0.000) 16.977 14.782 ( -0.000 -0.767 -0.000) 0.767 15.549 ( 0.000 33.351 0.000) 33.351 16.134 ( -0.000 -14.267 -0.000) 14.267 16.283 ( 0.000 6.007 0.000) 6.007 16.488 ( 0.000 2.763 0.000) 2.763 17.103 ( 0.000 30.640 0.000) 30.640 17.991 ( -0.000 -5.573 -0.000) 5.573 19.152 ( 0.000 10.927 0.000) 10.927 19.806 ( -0.000 -15.878 -0.000) 15.878 20.382 ( -0.000 -6.159 -0.000) 6.159 21.952 ( 0.000 0.016 0.000) 0.016 22.564 ( 0.000 7.094 0.000) 7.094 22.729 ( -0.000 -1.774 -0.000) 1.774 23.203 ( -0.000 -18.388 -0.000) 18.388 23.601 ( -0.000 -0.852 -0.000) 0.852 26.275 ( 0.000 13.286 0.000) 13.286 ======================= Grid point 267 (109/110) ======================= q-point: (-0.45 0.55 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.945 ( 0.000 -0.000 26.200) 26.200 3.111 ( 0.000 -0.000 9.352) 9.352 3.774 ( -0.000 0.000 -35.388) 35.388 4.301 ( -0.000 0.000 -8.613) 8.613 4.350 ( 0.000 -0.000 4.417) 4.417 4.707 ( 0.000 -0.000 4.329) 4.329 5.327 ( 0.000 -0.000 6.594) 6.594 5.485 ( -0.000 0.000 -2.183) 2.183 5.648 ( 0.000 -0.000 7.803) 7.803 5.674 ( -0.000 0.000 -2.173) 2.173 6.074 ( 0.000 -0.000 26.853) 26.853 6.446 ( 0.000 -0.000 27.497) 27.497 6.619 ( 0.000 -0.000 21.731) 21.731 7.071 ( -0.000 0.000 -15.567) 15.567 7.120 ( -0.000 0.000 -13.526) 13.526 7.360 ( -0.000 0.000 -1.310) 1.310 7.553 ( -0.000 0.000 -4.272) 4.272 7.768 ( 0.000 -0.000 8.548) 8.548 7.813 ( 0.000 -0.000 17.269) 17.269 8.459 ( -0.000 0.000 -0.237) 0.237 8.790 ( 0.000 -0.000 4.261) 4.261 8.974 ( -0.000 0.000 -4.999) 4.999 9.243 ( -0.000 0.000 -0.901) 0.901 9.251 ( 0.000 -0.000 2.558) 2.558 9.448 ( 0.000 -0.000 14.878) 14.878 9.965 ( -0.000 0.000 -7.131) 7.131 10.184 ( -0.000 0.000 -7.527) 7.527 10.738 ( 0.000 -0.000 12.640) 12.640 10.908 ( -0.000 0.000 -16.836) 16.836 11.418 ( 0.000 -0.000 1.349) 1.349 12.193 ( -0.000 0.000 -3.424) 3.424 12.280 ( -0.000 0.000 -14.039) 14.039 12.790 ( -0.000 0.000 -5.306) 5.306 12.981 ( -0.000 0.000 -13.185) 13.185 13.069 ( 0.000 -0.000 3.347) 3.347 13.370 ( 0.000 -0.000 28.986) 28.986 13.424 ( 0.000 -0.000 13.871) 13.871 14.099 ( 0.000 -0.000 21.033) 21.033 14.861 ( 0.000 -0.000 8.505) 8.505 15.773 ( -0.000 0.000 -23.875) 23.875 15.986 ( 0.000 -0.000 0.482) 0.482 16.145 ( -0.000 0.000 -8.746) 8.746 16.516 ( 0.000 -0.000 2.125) 2.125 17.591 ( -0.000 0.000 -26.751) 26.751 17.631 ( 0.000 -0.000 4.348) 4.348 19.377 ( 0.000 -0.000 11.274) 11.274 19.632 ( 0.000 -0.000 3.913) 3.913 20.214 ( -0.000 0.000 -10.621) 10.621 21.873 ( -0.000 0.000 -6.454) 6.454 22.737 ( 0.000 -0.000 3.772) 3.772 22.912 ( 0.000 -0.000 2.593) 2.593 22.963 ( 0.000 -0.000 17.316) 17.316 23.602 ( 0.000 -0.000 1.001) 1.001 26.295 ( -0.000 0.000 -12.346) 12.346 ======================= Grid point 301 (110/110) ======================= q-point: (-0.50 0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.663 ( -0.000 -0.000 0.000) 0.000 3.019 ( -0.000 -0.000 0.000) 0.000 4.260 ( 0.000 0.000 -0.000) 0.000 4.307 ( -0.000 -0.000 0.000) 0.000 4.388 ( -0.000 -0.000 0.000) 0.000 4.607 ( -0.000 -0.000 0.000) 0.000 5.262 ( -0.000 -0.000 0.000) 0.000 5.391 ( -0.000 -0.000 0.000) 0.000 5.591 ( 0.000 0.000 -0.000) 0.000 5.693 ( -0.000 -0.000 0.000) 0.000 5.852 ( -0.000 -0.000 0.000) 0.000 6.138 ( -0.000 -0.000 0.000) 0.000 6.400 ( -0.000 -0.000 0.000) 0.000 7.262 ( -0.000 -0.000 0.000) 0.000 7.335 ( -0.000 -0.000 0.000) 0.000 7.375 ( -0.000 -0.000 0.000) 0.000 7.557 ( -0.000 -0.000 0.000) 0.000 7.597 ( -0.000 -0.000 0.000) 0.000 7.649 ( -0.000 -0.000 0.000) 0.000 8.463 ( -0.000 -0.000 0.000) 0.000 8.732 ( -0.000 -0.000 0.000) 0.000 9.024 ( -0.000 -0.000 0.000) 0.000 9.238 ( -0.000 -0.000 0.000) 0.000 9.244 ( -0.000 -0.000 0.000) 0.000 9.299 ( 0.000 0.000 -0.000) 0.000 10.049 ( -0.000 -0.000 0.000) 0.000 10.289 ( -0.000 -0.000 0.000) 0.000 10.586 ( -0.000 -0.000 0.000) 0.000 11.083 ( -0.000 -0.000 0.000) 0.000 11.401 ( -0.000 -0.000 0.000) 0.000 12.238 ( -0.000 -0.000 0.000) 0.000 12.526 ( 0.000 0.000 -0.000) 0.000 12.846 ( -0.000 -0.000 0.000) 0.000 12.965 ( -0.000 -0.000 0.000) 0.000 13.037 ( -0.000 -0.000 0.000) 0.000 13.113 ( -0.000 -0.000 0.000) 0.000 13.281 ( -0.000 -0.000 0.000) 0.000 13.882 ( -0.000 -0.000 0.000) 0.000 14.775 ( -0.000 -0.000 0.000) 0.000 15.984 ( -0.000 -0.000 0.000) 0.000 16.024 ( -0.000 -0.000 0.000) 0.000 16.232 ( -0.000 -0.000 0.000) 0.000 16.482 ( -0.000 -0.000 0.000) 0.000 17.578 ( -0.000 -0.000 0.000) 0.000 17.879 ( -0.000 -0.000 0.000) 0.000 19.265 ( -0.000 -0.000 0.000) 0.000 19.594 ( -0.000 -0.000 0.000) 0.000 20.316 ( -0.000 -0.000 0.000) 0.000 21.953 ( -0.000 -0.000 0.000) 0.000 22.700 ( -0.000 -0.000 0.000) 0.000 22.759 ( -0.000 -0.000 0.000) 0.000 22.887 ( -0.000 -0.000 0.000) 0.000 23.592 ( -0.000 -0.000 0.000) 0.000 26.420 ( -0.000 -0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/29160 10.0 726.916 2791.006 6537.642 0.000 0.000 0.000 3/29160 20.0 1260.151 1654.995 2543.173 0.000 -0.000 0.000 3/29160 30.0 333.633 475.909 534.977 0.000 -0.000 0.000 3/29160 40.0 134.109 195.282 200.122 0.000 -0.000 0.000 3/29160 50.0 71.633 104.332 104.283 0.000 -0.000 0.000 3/29160 60.0 45.214 65.496 65.212 0.000 -0.000 0.000 3/29160 70.0 31.756 45.647 45.572 0.000 -0.000 0.000 3/29160 80.0 23.985 34.190 34.293 0.000 -0.000 0.000 3/29160 90.0 19.075 26.975 27.194 0.000 -0.000 0.000 3/29160 100.0 15.757 22.124 22.418 0.000 -0.000 0.000 3/29160 110.0 13.395 18.691 19.037 0.000 -0.000 0.000 3/29160 120.0 11.642 16.162 16.545 0.000 -0.000 0.000 3/29160 130.0 10.297 14.237 14.648 0.000 -0.000 0.000 3/29160 140.0 9.237 12.729 13.163 0.000 -0.000 0.000 3/29160 150.0 8.381 11.521 11.974 0.000 -0.000 0.000 3/29160 160.0 7.677 10.534 11.003 0.000 -0.000 0.000 3/29160 170.0 7.089 9.714 10.195 0.000 -0.000 0.000 3/29160 180.0 6.590 9.021 9.513 0.000 -0.000 0.000 3/29160 190.0 6.162 8.429 8.928 0.000 -0.000 0.000 3/29160 200.0 5.791 7.917 8.422 0.000 -0.000 0.000 3/29160 210.0 5.466 7.469 7.979 0.000 -0.000 0.000 3/29160 220.0 5.179 7.074 7.587 0.000 -0.000 0.000 3/29160 230.0 4.924 6.723 7.237 0.000 -0.000 0.000 3/29160 240.0 4.695 6.408 6.922 0.000 -0.000 0.000 3/29160 250.0 4.488 6.124 6.638 0.000 -0.000 0.000 3/29160 260.0 4.301 5.867 6.378 0.000 -0.000 0.000 3/29160 270.0 4.131 5.632 6.141 0.000 -0.000 0.000 3/29160 280.0 3.974 5.417 5.923 0.000 -0.000 0.000 3/29160 290.0 3.831 5.219 5.721 0.000 -0.000 0.000 3/29160 300.0 3.698 5.036 5.534 0.000 -0.000 0.000 3/29160 310.0 3.575 4.866 5.359 0.000 -0.000 0.000 3/29160 320.0 3.461 4.708 5.197 0.000 -0.000 0.000 3/29160 330.0 3.354 4.561 5.044 0.000 -0.000 0.000 3/29160 340.0 3.254 4.423 4.901 0.000 -0.000 0.000 3/29160 350.0 3.161 4.294 4.766 0.000 -0.000 0.000 3/29160 360.0 3.073 4.172 4.639 0.000 -0.000 0.000 3/29160 370.0 2.990 4.058 4.518 0.000 -0.000 0.000 3/29160 380.0 2.911 3.950 4.404 0.000 -0.000 0.000 3/29160 390.0 2.837 3.847 4.296 0.000 -0.000 0.000 3/29160 400.0 2.767 3.750 4.193 0.000 -0.000 0.000 3/29160 410.0 2.701 3.658 4.096 0.000 -0.000 0.000 3/29160 420.0 2.637 3.571 4.002 0.000 -0.000 0.000 3/29160 430.0 2.577 3.488 3.913 0.000 -0.000 0.000 3/29160 440.0 2.519 3.408 3.828 0.000 -0.000 0.000 3/29160 450.0 2.464 3.332 3.747 0.000 -0.000 0.000 3/29160 460.0 2.412 3.260 3.669 0.000 -0.000 0.000 3/29160 470.0 2.362 3.191 3.594 0.000 -0.000 0.000 3/29160 480.0 2.314 3.125 3.522 0.000 -0.000 0.000 3/29160 490.0 2.267 3.061 3.453 0.000 -0.000 0.000 3/29160 500.0 2.223 3.000 3.387 0.000 -0.000 0.000 3/29160 510.0 2.181 2.941 3.323 0.000 -0.000 0.000 3/29160 520.0 2.140 2.885 3.262 0.000 -0.000 0.000 3/29160 530.0 2.100 2.831 3.203 0.000 -0.000 0.000 3/29160 540.0 2.062 2.779 3.146 0.000 -0.000 0.000 3/29160 550.0 2.026 2.729 3.091 0.000 -0.000 0.000 3/29160 560.0 1.990 2.680 3.038 0.000 -0.000 0.000 3/29160 570.0 1.956 2.634 2.986 0.000 -0.000 0.000 3/29160 580.0 1.923 2.589 2.937 0.000 -0.000 0.000 3/29160 590.0 1.892 2.545 2.889 0.000 -0.000 0.000 3/29160 600.0 1.861 2.503 2.842 0.000 -0.000 0.000 3/29160 610.0 1.831 2.462 2.797 0.000 -0.000 0.000 3/29160 620.0 1.802 2.423 2.753 0.000 -0.000 0.000 3/29160 630.0 1.774 2.384 2.711 0.000 -0.000 0.000 3/29160 640.0 1.747 2.348 2.670 0.000 -0.000 0.000 3/29160 650.0 1.721 2.312 2.630 0.000 -0.000 0.000 3/29160 660.0 1.695 2.277 2.592 0.000 -0.000 0.000 3/29160 670.0 1.671 2.243 2.554 0.000 -0.000 0.000 3/29160 680.0 1.647 2.210 2.518 0.000 -0.000 0.000 3/29160 690.0 1.623 2.179 2.482 0.000 -0.000 0.000 3/29160 700.0 1.601 2.148 2.448 0.000 -0.000 0.000 3/29160 710.0 1.579 2.118 2.414 0.000 -0.000 0.000 3/29160 720.0 1.557 2.089 2.382 0.000 -0.000 0.000 3/29160 730.0 1.536 2.060 2.350 0.000 -0.000 0.000 3/29160 740.0 1.516 2.032 2.319 0.000 -0.000 0.000 3/29160 750.0 1.496 2.006 2.289 0.000 -0.000 0.000 3/29160 760.0 1.477 1.979 2.259 0.000 -0.000 0.000 3/29160 770.0 1.458 1.954 2.231 0.000 -0.000 0.000 3/29160 780.0 1.440 1.929 2.203 0.000 -0.000 0.000 3/29160 790.0 1.422 1.905 2.176 0.000 -0.000 0.000 3/29160 800.0 1.404 1.881 2.149 0.000 -0.000 0.000 3/29160 810.0 1.387 1.858 2.123 0.000 -0.000 0.000 3/29160 820.0 1.371 1.836 2.098 0.000 -0.000 0.000 3/29160 830.0 1.355 1.814 2.073 0.000 -0.000 0.000 3/29160 840.0 1.339 1.792 2.049 0.000 -0.000 0.000 3/29160 850.0 1.323 1.771 2.025 0.000 -0.000 0.000 3/29160 860.0 1.308 1.751 2.002 0.000 -0.000 0.000 3/29160 870.0 1.293 1.731 1.980 0.000 -0.000 0.000 3/29160 880.0 1.279 1.711 1.958 0.000 -0.000 0.000 3/29160 890.0 1.265 1.692 1.936 0.000 -0.000 0.000 3/29160 900.0 1.251 1.673 1.915 0.000 -0.000 0.000 3/29160 910.0 1.237 1.655 1.894 0.000 -0.000 0.000 3/29160 920.0 1.224 1.637 1.874 0.000 -0.000 0.000 3/29160 930.0 1.211 1.620 1.855 0.000 -0.000 0.000 3/29160 940.0 1.199 1.603 1.835 0.000 -0.000 0.000 3/29160 950.0 1.186 1.586 1.816 0.000 -0.000 0.000 3/29160 960.0 1.174 1.569 1.798 0.000 -0.000 0.000 3/29160 970.0 1.162 1.553 1.779 0.000 -0.000 0.000 3/29160 980.0 1.150 1.538 1.762 0.000 -0.000 0.000 3/29160 990.0 1.139 1.522 1.744 0.000 -0.000 0.000 3/29160 1000.0 1.128 1.507 1.727 0.000 -0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m13180.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:46:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|