----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:40:18]------------------------- 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. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.473510675004070 -2.912884989999999 0.000000000000000 b 6.473510675004070 2.912884989999999 0.000000000000000 c -2.571796838266011 0.000000000000000 7.741227014258246 Atomic positions (fractional): *1 Li 0.08825545498147 0.56940355386182 0.90217337954636 6.941 2 Li 0.43059644613818 0.91174454501854 0.59782662045364 6.941 *3 Li 0.06840499912448 0.58935895450303 0.42621875653000 6.941 4 Li 0.56940355386182 0.08825545498146 0.40217337954636 6.941 *5 Li 0.72855072537210 0.27144927462790 0.25000000000000 6.941 6 Li 0.41064104549697 0.93159500087552 0.07378124347000 6.941 7 Li 0.91174454501854 0.43059644613817 0.09782662045364 6.941 8 Li 0.58935895450303 0.06840499912448 0.92621875653000 6.941 9 Li 0.27144927462790 0.72855072537210 0.75000000000000 6.941 10 Li 0.93159500087552 0.41064104549697 0.57378124347000 6.941 *11 Ti 0.76706545187764 0.23293454812236 0.75000000000000 47.867 12 Ti 0.23293454812236 0.76706545187764 0.25000000000000 47.867 *13 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 14 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 *15 P 0.31162258302919 0.37931702196608 0.17332044301568 30.974 16 P 0.68837741697081 0.62068297803392 0.82667955698432 30.974 17 P 0.37931702196608 0.31162258302919 0.67332044301568 30.974 18 P 0.62068297803392 0.68837741697081 0.32667955698432 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.947021350008139 0.000000000000000 0.000000000000000 b 0.000000000000000 5.825769979999999 0.000000000000000 c -2.571796838266011 0.000000000000000 7.741227014258246 Atomic positions (fractional): *1 Li 0.32882950442164 0.24057404944018 0.90217337954636 6.941 > 1 2 Li 0.17117049557836 0.74057404944018 0.59782662045364 6.941 > 2 *3 Li 0.32888197681376 0.26047697768927 0.42621875653000 6.941 > 3 4 Li 0.32882950442164 0.75942595055982 0.40217337954636 6.941 > 4 *5 Li 0.00000000000000 0.27144927462790 0.25000000000000 6.941 > 5 6 Li 0.17111802318624 0.76047697768927 0.07378124347000 6.941 > 6 7 Li 0.17117049557836 0.25942595055982 0.09782662045364 6.941 > 7 8 Li 0.32888197681376 0.73952302231073 0.92621875653000 6.941 > 8 9 Li 0.00000000000000 0.72855072537210 0.75000000000000 6.941 > 9 10 Li 0.17111802318624 0.23952302231073 0.57378124347000 6.941 > 10 11 Li 0.82882950442165 0.74057404944018 0.90217337954636 6.941 > 1 12 Li 0.67117049557835 0.24057404944018 0.59782662045364 6.941 > 2 13 Li 0.82888197681376 0.76047697768927 0.42621875653000 6.941 > 3 14 Li 0.82882950442165 0.25942595055982 0.40217337954636 6.941 > 4 15 Li 0.50000000000000 0.77144927462790 0.25000000000000 6.941 > 5 16 Li 0.67111802318624 0.26047697768927 0.07378124347000 6.941 > 6 17 Li 0.67117049557835 0.75942595055982 0.09782662045364 6.941 > 7 18 Li 0.82888197681376 0.23952302231073 0.92621875653000 6.941 > 8 19 Li 0.50000000000000 0.22855072537210 0.75000000000000 6.941 > 9 20 Li 0.67111802318624 0.73952302231073 0.57378124347000 6.941 > 10 *21 Ti 0.00000000000000 0.23293454812236 0.75000000000000 47.867 > 11 22 Ti 0.00000000000000 0.76706545187764 0.25000000000000 47.867 > 12 23 Ti 0.50000000000000 0.73293454812236 0.75000000000000 47.867 > 11 24 Ti 0.50000000000000 0.26706545187764 0.25000000000000 47.867 > 12 *25 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 > 13 26 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 > 14 *27 P 0.34546980249763 0.03384721946844 0.17332044301568 30.974 > 15 28 P 0.15453019750237 0.46615278053156 0.82667955698432 30.974 > 16 29 P 0.34546980249763 0.96615278053156 0.67332044301568 30.974 > 17 30 P 0.15453019750237 0.53384721946844 0.32667955698432 30.974 > 18 31 P 0.50000000000000 0.50000000000000 0.00000000000000 30.974 > 13 32 P 0.50000000000000 0.50000000000000 0.50000000000000 30.974 > 14 33 P 0.84546980249763 0.53384721946844 0.17332044301568 30.974 > 15 34 P 0.65453019750237 0.96615278053156 0.82667955698432 30.974 > 16 35 P 0.84546980249763 0.46615278053156 0.67332044301568 30.974 > 17 36 P 0.65453019750237 0.03384721946844 0.32667955698432 30.974 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.947021350008139 0.000000000000000 0.000000000000000 b 0.000000000000000 11.651539959999997 0.000000000000000 c -5.143593676532022 0.000000000000000 15.482454028516493 Atomic positions (fractional): *1 Li 0.32882950442164 0.12028702472009 0.45108668977318 6.941 > 1 2 Li 0.32882950442164 0.62028702472009 0.45108668977318 6.941 > 1 3 Li 0.32882950442164 0.12028702472009 0.95108668977318 6.941 > 1 4 Li 0.32882950442164 0.62028702472009 0.95108668977318 6.941 > 1 5 Li 0.17117049557836 0.37028702472009 0.29891331022682 6.941 > 2 6 Li 0.17117049557836 0.87028702472009 0.29891331022682 6.941 > 2 7 Li 0.17117049557836 0.37028702472009 0.79891331022682 6.941 > 2 8 Li 0.17117049557836 0.87028702472009 0.79891331022682 6.941 > 2 *9 Li 0.32888197681376 0.13023848884464 0.21310937826500 6.941 > 3 10 Li 0.32888197681376 0.63023848884464 0.21310937826500 6.941 > 3 11 Li 0.32888197681376 0.13023848884464 0.71310937826500 6.941 > 3 12 Li 0.32888197681376 0.63023848884464 0.71310937826500 6.941 > 3 13 Li 0.32882950442164 0.37971297527991 0.20108668977318 6.941 > 4 14 Li 0.32882950442164 0.87971297527991 0.20108668977318 6.941 > 4 15 Li 0.32882950442164 0.37971297527991 0.70108668977318 6.941 > 4 16 Li 0.32882950442164 0.87971297527991 0.70108668977318 6.941 > 4 *17 Li 0.00000000000000 0.13572463731395 0.12500000000000 6.941 > 5 18 Li 0.00000000000000 0.63572463731395 0.12500000000000 6.941 > 5 19 Li 0.00000000000000 0.13572463731395 0.62500000000000 6.941 > 5 20 Li 0.00000000000000 0.63572463731395 0.62500000000000 6.941 > 5 21 Li 0.17111802318624 0.38023848884464 0.03689062173500 6.941 > 6 22 Li 0.17111802318624 0.88023848884464 0.03689062173500 6.941 > 6 23 Li 0.17111802318624 0.38023848884464 0.53689062173500 6.941 > 6 24 Li 0.17111802318624 0.88023848884464 0.53689062173500 6.941 > 6 25 Li 0.17117049557836 0.12971297527991 0.04891331022682 6.941 > 7 26 Li 0.17117049557836 0.62971297527991 0.04891331022682 6.941 > 7 27 Li 0.17117049557836 0.12971297527991 0.54891331022682 6.941 > 7 28 Li 0.17117049557836 0.62971297527991 0.54891331022682 6.941 > 7 29 Li 0.32888197681376 0.36976151115536 0.46310937826500 6.941 > 8 30 Li 0.32888197681376 0.86976151115536 0.46310937826500 6.941 > 8 31 Li 0.32888197681376 0.36976151115536 0.96310937826500 6.941 > 8 32 Li 0.32888197681376 0.86976151115536 0.96310937826500 6.941 > 8 33 Li 0.00000000000000 0.36427536268605 0.37500000000000 6.941 > 9 34 Li 0.00000000000000 0.86427536268605 0.37500000000000 6.941 > 9 35 Li 0.00000000000000 0.36427536268605 0.87500000000000 6.941 > 9 36 Li 0.00000000000000 0.86427536268605 0.87500000000000 6.941 > 9 37 Li 0.17111802318624 0.11976151115536 0.28689062173500 6.941 > 10 38 Li 0.17111802318624 0.61976151115536 0.28689062173500 6.941 > 10 39 Li 0.17111802318624 0.11976151115536 0.78689062173500 6.941 > 10 40 Li 0.17111802318624 0.61976151115536 0.78689062173500 6.941 > 10 41 Li 0.82882950442165 0.37028702472009 0.45108668977318 6.941 > 1 42 Li 0.82882950442165 0.87028702472009 0.45108668977318 6.941 > 1 43 Li 0.82882950442165 0.37028702472009 0.95108668977318 6.941 > 1 44 Li 0.82882950442165 0.87028702472009 0.95108668977318 6.941 > 1 45 Li 0.67117049557835 0.12028702472009 0.29891331022682 6.941 > 2 46 Li 0.67117049557835 0.62028702472009 0.29891331022682 6.941 > 2 47 Li 0.67117049557835 0.12028702472009 0.79891331022682 6.941 > 2 48 Li 0.67117049557835 0.62028702472009 0.79891331022682 6.941 > 2 49 Li 0.82888197681376 0.38023848884464 0.21310937826500 6.941 > 3 50 Li 0.82888197681376 0.88023848884464 0.21310937826500 6.941 > 3 51 Li 0.82888197681376 0.38023848884464 0.71310937826500 6.941 > 3 52 Li 0.82888197681376 0.88023848884464 0.71310937826500 6.941 > 3 53 Li 0.82882950442165 0.12971297527991 0.20108668977318 6.941 > 4 54 Li 0.82882950442165 0.62971297527991 0.20108668977318 6.941 > 4 55 Li 0.82882950442165 0.12971297527991 0.70108668977318 6.941 > 4 56 Li 0.82882950442165 0.62971297527991 0.70108668977318 6.941 > 4 57 Li 0.50000000000000 0.38572463731395 0.12500000000000 6.941 > 5 58 Li 0.50000000000000 0.88572463731395 0.12500000000000 6.941 > 5 59 Li 0.50000000000000 0.38572463731395 0.62500000000000 6.941 > 5 60 Li 0.50000000000000 0.88572463731395 0.62500000000000 6.941 > 5 61 Li 0.67111802318624 0.13023848884464 0.03689062173500 6.941 > 6 62 Li 0.67111802318624 0.63023848884464 0.03689062173500 6.941 > 6 63 Li 0.67111802318624 0.13023848884464 0.53689062173500 6.941 > 6 64 Li 0.67111802318624 0.63023848884464 0.53689062173500 6.941 > 6 65 Li 0.67117049557835 0.37971297527991 0.04891331022682 6.941 > 7 66 Li 0.67117049557835 0.87971297527991 0.04891331022682 6.941 > 7 67 Li 0.67117049557835 0.37971297527991 0.54891331022682 6.941 > 7 68 Li 0.67117049557835 0.87971297527991 0.54891331022682 6.941 > 7 69 Li 0.82888197681376 0.11976151115536 0.46310937826500 6.941 > 8 70 Li 0.82888197681376 0.61976151115536 0.46310937826500 6.941 > 8 71 Li 0.82888197681376 0.11976151115536 0.96310937826500 6.941 > 8 72 Li 0.82888197681376 0.61976151115536 0.96310937826500 6.941 > 8 73 Li 0.50000000000000 0.11427536268605 0.37500000000000 6.941 > 9 74 Li 0.50000000000000 0.61427536268605 0.37500000000000 6.941 > 9 75 Li 0.50000000000000 0.11427536268605 0.87500000000000 6.941 > 9 76 Li 0.50000000000000 0.61427536268605 0.87500000000000 6.941 > 9 77 Li 0.67111802318624 0.36976151115536 0.28689062173500 6.941 > 10 78 Li 0.67111802318624 0.86976151115536 0.28689062173500 6.941 > 10 79 Li 0.67111802318624 0.36976151115536 0.78689062173500 6.941 > 10 80 Li 0.67111802318624 0.86976151115536 0.78689062173500 6.941 > 10 *81 Ti 0.00000000000000 0.11646727406118 0.37500000000000 47.867 > 11 82 Ti 0.00000000000000 0.61646727406118 0.37500000000000 47.867 > 11 83 Ti 0.00000000000000 0.11646727406118 0.87500000000000 47.867 > 11 84 Ti 0.00000000000000 0.61646727406118 0.87500000000000 47.867 > 11 85 Ti 0.00000000000000 0.38353272593882 0.12500000000000 47.867 > 12 86 Ti 0.00000000000000 0.88353272593882 0.12500000000000 47.867 > 12 87 Ti 0.00000000000000 0.38353272593882 0.62500000000000 47.867 > 12 88 Ti 0.00000000000000 0.88353272593882 0.62500000000000 47.867 > 12 89 Ti 0.50000000000000 0.36646727406118 0.37500000000000 47.867 > 11 90 Ti 0.50000000000000 0.86646727406118 0.37500000000000 47.867 > 11 91 Ti 0.50000000000000 0.36646727406118 0.87500000000000 47.867 > 11 92 Ti 0.50000000000000 0.86646727406118 0.87500000000000 47.867 > 11 93 Ti 0.50000000000000 0.13353272593882 0.12500000000000 47.867 > 12 94 Ti 0.50000000000000 0.63353272593882 0.12500000000000 47.867 > 12 95 Ti 0.50000000000000 0.13353272593882 0.62500000000000 47.867 > 12 96 Ti 0.50000000000000 0.63353272593882 0.62500000000000 47.867 > 12 *97 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 > 13 98 P 0.00000000000000 0.50000000000000 0.00000000000000 30.974 > 13 99 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 > 13 100 P 0.00000000000000 0.50000000000000 0.50000000000000 30.974 > 13 101 P 0.00000000000000 0.00000000000000 0.25000000000000 30.974 > 14 102 P 0.00000000000000 0.50000000000000 0.25000000000000 30.974 > 14 103 P 0.00000000000000 0.00000000000000 0.75000000000000 30.974 > 14 104 P 0.00000000000000 0.50000000000000 0.75000000000000 30.974 > 14 *105 P 0.34546980249763 0.01692360973422 0.08666022150784 30.974 > 15 106 P 0.34546980249763 0.51692360973422 0.08666022150784 30.974 > 15 107 P 0.34546980249763 0.01692360973422 0.58666022150784 30.974 > 15 108 P 0.34546980249763 0.51692360973422 0.58666022150784 30.974 > 15 109 P 0.15453019750237 0.23307639026578 0.41333977849216 30.974 > 16 110 P 0.15453019750237 0.73307639026578 0.41333977849216 30.974 > 16 111 P 0.15453019750237 0.23307639026578 0.91333977849216 30.974 > 16 112 P 0.15453019750237 0.73307639026578 0.91333977849216 30.974 > 16 113 P 0.34546980249763 0.48307639026578 0.33666022150784 30.974 > 17 114 P 0.34546980249763 0.98307639026578 0.33666022150784 30.974 > 17 115 P 0.34546980249763 0.48307639026578 0.83666022150784 30.974 > 17 116 P 0.34546980249763 0.98307639026578 0.83666022150784 30.974 > 17 117 P 0.15453019750237 0.26692360973422 0.16333977849216 30.974 > 18 118 P 0.15453019750237 0.76692360973422 0.16333977849216 30.974 > 18 119 P 0.15453019750237 0.26692360973422 0.66333977849216 30.974 > 18 120 P 0.15453019750237 0.76692360973422 0.66333977849216 30.974 > 18 121 P 0.50000000000000 0.25000000000000 0.00000000000000 30.974 > 13 122 P 0.50000000000000 0.75000000000000 0.00000000000000 30.974 > 13 123 P 0.50000000000000 0.25000000000000 0.50000000000000 30.974 > 13 124 P 0.50000000000000 0.75000000000000 0.50000000000000 30.974 > 13 125 P 0.50000000000000 0.25000000000000 0.25000000000000 30.974 > 14 126 P 0.50000000000000 0.75000000000000 0.25000000000000 30.974 > 14 127 P 0.50000000000000 0.25000000000000 0.75000000000000 30.974 > 14 128 P 0.50000000000000 0.75000000000000 0.75000000000000 30.974 > 14 129 P 0.84546980249763 0.26692360973422 0.08666022150784 30.974 > 15 130 P 0.84546980249763 0.76692360973422 0.08666022150784 30.974 > 15 131 P 0.84546980249763 0.26692360973422 0.58666022150784 30.974 > 15 132 P 0.84546980249763 0.76692360973422 0.58666022150784 30.974 > 15 133 P 0.65453019750237 0.48307639026578 0.41333977849216 30.974 > 16 134 P 0.65453019750237 0.98307639026578 0.41333977849216 30.974 > 16 135 P 0.65453019750237 0.48307639026578 0.91333977849216 30.974 > 16 136 P 0.65453019750237 0.98307639026578 0.91333977849216 30.974 > 16 137 P 0.84546980249763 0.23307639026578 0.33666022150784 30.974 > 17 138 P 0.84546980249763 0.73307639026578 0.33666022150784 30.974 > 17 139 P 0.84546980249763 0.23307639026578 0.83666022150784 30.974 > 17 140 P 0.84546980249763 0.73307639026578 0.83666022150784 30.974 > 17 141 P 0.65453019750237 0.01692360973422 0.16333977849216 30.974 > 18 142 P 0.65453019750237 0.51692360973422 0.16333977849216 30.974 > 18 143 P 0.65453019750237 0.01692360973422 0.66333977849216 30.974 > 18 144 P 0.65453019750237 0.51692360973422 0.66333977849216 30.974 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.4099642 0.0000000 -1.0218812 0.0000000 9.1430947 0.0000000 -1.0218584 0.0000000 12.0172739 -------------------------- Born effective charges -------------------------- 1 Li 1.0813400 -0.4728812 0.0620632 -0.0022877 0.6748206 0.4675867 0.0132933 -0.0599046 0.8117438 2 Li 1.0813400 0.4728812 0.0620632 0.0022877 0.6748206 -0.4675867 0.0132933 0.0599046 0.8117438 3 Li 1.0256929 -0.4286201 0.0774454 -0.0990361 1.0231028 -0.4503826 0.1484571 -0.2312107 0.8222447 4 Li 1.0813400 0.4728812 0.0620632 0.0022877 0.6748206 -0.4675867 0.0132933 0.0599046 0.8117438 5 Li 0.3300428 0.0000000 -0.0821357 0.0000000 0.9963695 0.0000000 -0.0966850 0.0000000 0.5631611 6 Li 1.0256929 0.4286201 0.0774454 0.0990361 1.0231028 0.4503826 0.1484571 0.2312107 0.8222447 7 Li 1.0813400 -0.4728812 0.0620632 -0.0022877 0.6748206 0.4675867 0.0132933 -0.0599046 0.8117438 8 Li 1.0256929 0.4286201 0.0774454 0.0990361 1.0231028 0.4503826 0.1484571 0.2312107 0.8222447 9 Li 0.3300428 0.0000000 -0.0821357 0.0000000 0.9963695 0.0000000 -0.0966850 0.0000000 0.5631611 10 Li 1.0256929 -0.4286201 0.0774454 -0.0990361 1.0231028 -0.4503826 0.1484571 -0.2312107 0.8222447 11 Ti 2.9169690 0.0000000 -0.6663169 0.0000000 2.6825833 0.0000000 -0.6056631 0.0000000 4.5608807 12 Ti 2.9169690 0.0000000 -0.6663169 0.0000000 2.6825833 0.0000000 -0.6056631 0.0000000 4.5608807 13 P -1.4978980 -0.6165769 1.1740050 -0.5915153 -2.4758925 1.4186151 1.1574912 1.9180861 -4.6481162 14 P -1.4978980 0.6165769 1.1740050 0.5915153 -2.4758925 -1.4186151 1.1574912 -1.9180861 -4.6481162 15 P -2.9815898 -1.0096505 -0.3522847 -1.1478262 -2.2994536 -0.5157946 -0.3893219 -0.3436815 -1.8719513 16 P -2.9815898 -1.0096505 -0.3522847 -1.1478262 -2.2994536 -0.5157946 -0.3893219 -0.3436815 -1.8719513 17 P -2.9815898 1.0096505 -0.3522847 1.1478262 -2.2994536 0.5157946 -0.3893219 0.3436815 -1.8719513 18 P -2.9815898 1.0096505 -0.3522847 1.1478262 -2.2994536 0.5157946 -0.3893219 0.3436815 -1.8719513 ---------------------------------------------------------------------------- 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: 14400/14400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3041 Number of blocks in projector: 3041 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: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 666 / 666 (1) 159 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 634 Use submatrix version of eigh solver. (1) Block: 500 / 634 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 634 / 634 (1) 127 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 634 Use submatrix version of eigh solver. (1) Block: 500 / 634 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 634 / 634 (1) 127 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 369 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 369 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 369 Use standard eigh solver. Tree of FC basis block matrices: - (3041, 2996), data: False |-- (369, 363), data: True |-- (369, 363), data: True |-- (369, 363), data: True |-- (634, 626), data: False |-- (634, 7), data: (634, 15) @ (15, 7) |-- (134, 127), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (634, 626), data: False |-- (634, 7), data: (634, 15) @ (15, 7) |-- (134, 127), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (666, 655), data: False |-- (666, 7), data: (666, 18) @ (18, 7) |-- (166, 159), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 560 - Time: 1.114 Solver_block: 200 / 560 - Time: 1.116 Solver_block: 300 / 560 - Time: 1.119 Solver_block: 400 / 560 - Time: 1.097 Solver_block: 500 / 560 - Time: 1.087 Solver_block: 560 / 560 - Time: 0.709 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.368 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14400/14400 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3041 Number of blocks in projector: 3041 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: 666 Use submatrix version of eigh solver. (1) Block: 500 / 666 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 666 / 666 (1) 159 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 634 Use submatrix version of eigh solver. (1) Block: 500 / 634 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 634 / 634 (1) 127 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 634 Use submatrix version of eigh solver. (1) Block: 500 / 634 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 634 / 634 (1) 127 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 369 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 369 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 369 Use standard eigh solver. Tree of FC basis block matrices: - (3041, 2996), data: False |-- (369, 363), data: True |-- (369, 363), data: True |-- (369, 363), data: True |-- (634, 626), data: False |-- (634, 7), data: (634, 15) @ (15, 7) |-- (134, 127), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (634, 626), data: False |-- (634, 7), data: (634, 15) @ (15, 7) |-- (134, 127), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (666, 655), data: False |-- (666, 7), data: (666, 18) @ (18, 7) |-- (166, 159), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:40:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:40:56]------------------------- 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. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.473510675004070 -2.912884989999999 0.000000000000000 b 6.473510675004070 2.912884989999999 0.000000000000000 c -2.571796838266011 0.000000000000000 7.741227014258246 Atomic positions (fractional): 1 Li 0.08825545498147 0.56940355386182 0.90217337954636 6.941 2 Li 0.43059644613818 0.91174454501854 0.59782662045364 6.941 3 Li 0.06840499912448 0.58935895450303 0.42621875653000 6.941 4 Li 0.56940355386182 0.08825545498146 0.40217337954636 6.941 5 Li 0.72855072537210 0.27144927462790 0.25000000000000 6.941 6 Li 0.41064104549697 0.93159500087552 0.07378124347000 6.941 7 Li 0.91174454501854 0.43059644613817 0.09782662045364 6.941 8 Li 0.58935895450303 0.06840499912448 0.92621875653000 6.941 9 Li 0.27144927462790 0.72855072537210 0.75000000000000 6.941 10 Li 0.93159500087552 0.41064104549697 0.57378124347000 6.941 11 Ti 0.76706545187764 0.23293454812236 0.75000000000000 47.867 12 Ti 0.23293454812236 0.76706545187764 0.25000000000000 47.867 13 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 14 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 15 P 0.31162258302919 0.37931702196608 0.17332044301568 30.974 16 P 0.68837741697081 0.62068297803392 0.82667955698432 30.974 17 P 0.37931702196608 0.31162258302919 0.67332044301568 30.974 18 P 0.62068297803392 0.68837741697081 0.32667955698432 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.947021350008139 0.000000000000000 0.000000000000000 b 0.000000000000000 11.651539959999997 0.000000000000000 c -5.143593676532022 0.000000000000000 15.482454028516493 Atomic positions (fractional): 1 Li 0.32882950442164 0.12028702472009 0.45108668977318 6.941 > 1 2 Li 0.32882950442164 0.62028702472009 0.45108668977318 6.941 > 1 3 Li 0.32882950442164 0.12028702472009 0.95108668977318 6.941 > 1 4 Li 0.32882950442164 0.62028702472009 0.95108668977318 6.941 > 1 5 Li 0.17117049557836 0.37028702472009 0.29891331022682 6.941 > 5 6 Li 0.17117049557836 0.87028702472009 0.29891331022682 6.941 > 5 7 Li 0.17117049557836 0.37028702472009 0.79891331022682 6.941 > 5 8 Li 0.17117049557836 0.87028702472009 0.79891331022682 6.941 > 5 9 Li 0.32888197681376 0.13023848884464 0.21310937826500 6.941 > 9 10 Li 0.32888197681376 0.63023848884464 0.21310937826500 6.941 > 9 11 Li 0.32888197681376 0.13023848884464 0.71310937826500 6.941 > 9 12 Li 0.32888197681376 0.63023848884464 0.71310937826500 6.941 > 9 13 Li 0.32882950442164 0.37971297527991 0.20108668977318 6.941 > 13 14 Li 0.32882950442164 0.87971297527991 0.20108668977318 6.941 > 13 15 Li 0.32882950442164 0.37971297527991 0.70108668977318 6.941 > 13 16 Li 0.32882950442164 0.87971297527991 0.70108668977318 6.941 > 13 17 Li 0.00000000000000 0.13572463731395 0.12500000000000 6.941 > 17 18 Li 0.00000000000000 0.63572463731395 0.12500000000000 6.941 > 17 19 Li 0.00000000000000 0.13572463731395 0.62500000000000 6.941 > 17 20 Li 0.00000000000000 0.63572463731395 0.62500000000000 6.941 > 17 21 Li 0.17111802318624 0.38023848884464 0.03689062173500 6.941 > 21 22 Li 0.17111802318624 0.88023848884464 0.03689062173500 6.941 > 21 23 Li 0.17111802318624 0.38023848884464 0.53689062173500 6.941 > 21 24 Li 0.17111802318624 0.88023848884464 0.53689062173500 6.941 > 21 25 Li 0.17117049557836 0.12971297527991 0.04891331022682 6.941 > 25 26 Li 0.17117049557836 0.62971297527991 0.04891331022682 6.941 > 25 27 Li 0.17117049557836 0.12971297527991 0.54891331022682 6.941 > 25 28 Li 0.17117049557836 0.62971297527991 0.54891331022682 6.941 > 25 29 Li 0.32888197681376 0.36976151115536 0.46310937826500 6.941 > 29 30 Li 0.32888197681376 0.86976151115536 0.46310937826500 6.941 > 29 31 Li 0.32888197681376 0.36976151115536 0.96310937826500 6.941 > 29 32 Li 0.32888197681376 0.86976151115536 0.96310937826500 6.941 > 29 33 Li 0.00000000000000 0.36427536268605 0.37500000000000 6.941 > 33 34 Li 0.00000000000000 0.86427536268605 0.37500000000000 6.941 > 33 35 Li 0.00000000000000 0.36427536268605 0.87500000000000 6.941 > 33 36 Li 0.00000000000000 0.86427536268605 0.87500000000000 6.941 > 33 37 Li 0.17111802318624 0.11976151115536 0.28689062173500 6.941 > 37 38 Li 0.17111802318624 0.61976151115536 0.28689062173500 6.941 > 37 39 Li 0.17111802318624 0.11976151115536 0.78689062173500 6.941 > 37 40 Li 0.17111802318624 0.61976151115536 0.78689062173500 6.941 > 37 41 Li 0.82882950442165 0.37028702472009 0.45108668977318 6.941 > 1 42 Li 0.82882950442165 0.87028702472009 0.45108668977318 6.941 > 1 43 Li 0.82882950442165 0.37028702472009 0.95108668977318 6.941 > 1 44 Li 0.82882950442165 0.87028702472009 0.95108668977318 6.941 > 1 45 Li 0.67117049557835 0.12028702472009 0.29891331022682 6.941 > 5 46 Li 0.67117049557835 0.62028702472009 0.29891331022682 6.941 > 5 47 Li 0.67117049557835 0.12028702472009 0.79891331022682 6.941 > 5 48 Li 0.67117049557835 0.62028702472009 0.79891331022682 6.941 > 5 49 Li 0.82888197681376 0.38023848884464 0.21310937826500 6.941 > 9 50 Li 0.82888197681376 0.88023848884464 0.21310937826500 6.941 > 9 51 Li 0.82888197681376 0.38023848884464 0.71310937826500 6.941 > 9 52 Li 0.82888197681376 0.88023848884464 0.71310937826500 6.941 > 9 53 Li 0.82882950442165 0.12971297527991 0.20108668977318 6.941 > 13 54 Li 0.82882950442165 0.62971297527991 0.20108668977318 6.941 > 13 55 Li 0.82882950442165 0.12971297527991 0.70108668977318 6.941 > 13 56 Li 0.82882950442165 0.62971297527991 0.70108668977318 6.941 > 13 57 Li 0.50000000000000 0.38572463731395 0.12500000000000 6.941 > 17 58 Li 0.50000000000000 0.88572463731395 0.12500000000000 6.941 > 17 59 Li 0.50000000000000 0.38572463731395 0.62500000000000 6.941 > 17 60 Li 0.50000000000000 0.88572463731395 0.62500000000000 6.941 > 17 61 Li 0.67111802318624 0.13023848884464 0.03689062173500 6.941 > 21 62 Li 0.67111802318624 0.63023848884464 0.03689062173500 6.941 > 21 63 Li 0.67111802318624 0.13023848884464 0.53689062173500 6.941 > 21 64 Li 0.67111802318624 0.63023848884464 0.53689062173500 6.941 > 21 65 Li 0.67117049557835 0.37971297527991 0.04891331022682 6.941 > 25 66 Li 0.67117049557835 0.87971297527991 0.04891331022682 6.941 > 25 67 Li 0.67117049557835 0.37971297527991 0.54891331022682 6.941 > 25 68 Li 0.67117049557835 0.87971297527991 0.54891331022682 6.941 > 25 69 Li 0.82888197681376 0.11976151115536 0.46310937826500 6.941 > 29 70 Li 0.82888197681376 0.61976151115536 0.46310937826500 6.941 > 29 71 Li 0.82888197681376 0.11976151115536 0.96310937826500 6.941 > 29 72 Li 0.82888197681376 0.61976151115536 0.96310937826500 6.941 > 29 73 Li 0.50000000000000 0.11427536268605 0.37500000000000 6.941 > 33 74 Li 0.50000000000000 0.61427536268605 0.37500000000000 6.941 > 33 75 Li 0.50000000000000 0.11427536268605 0.87500000000000 6.941 > 33 76 Li 0.50000000000000 0.61427536268605 0.87500000000000 6.941 > 33 77 Li 0.67111802318624 0.36976151115536 0.28689062173500 6.941 > 37 78 Li 0.67111802318624 0.86976151115536 0.28689062173500 6.941 > 37 79 Li 0.67111802318624 0.36976151115536 0.78689062173500 6.941 > 37 80 Li 0.67111802318624 0.86976151115536 0.78689062173500 6.941 > 37 81 Ti 0.00000000000000 0.11646727406118 0.37500000000000 47.867 > 81 82 Ti 0.00000000000000 0.61646727406118 0.37500000000000 47.867 > 81 83 Ti 0.00000000000000 0.11646727406118 0.87500000000000 47.867 > 81 84 Ti 0.00000000000000 0.61646727406118 0.87500000000000 47.867 > 81 85 Ti 0.00000000000000 0.38353272593882 0.12500000000000 47.867 > 85 86 Ti 0.00000000000000 0.88353272593882 0.12500000000000 47.867 > 85 87 Ti 0.00000000000000 0.38353272593882 0.62500000000000 47.867 > 85 88 Ti 0.00000000000000 0.88353272593882 0.62500000000000 47.867 > 85 89 Ti 0.50000000000000 0.36646727406118 0.37500000000000 47.867 > 81 90 Ti 0.50000000000000 0.86646727406118 0.37500000000000 47.867 > 81 91 Ti 0.50000000000000 0.36646727406118 0.87500000000000 47.867 > 81 92 Ti 0.50000000000000 0.86646727406118 0.87500000000000 47.867 > 81 93 Ti 0.50000000000000 0.13353272593882 0.12500000000000 47.867 > 85 94 Ti 0.50000000000000 0.63353272593882 0.12500000000000 47.867 > 85 95 Ti 0.50000000000000 0.13353272593882 0.62500000000000 47.867 > 85 96 Ti 0.50000000000000 0.63353272593882 0.62500000000000 47.867 > 85 97 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 > 97 98 P 0.00000000000000 0.50000000000000 0.00000000000000 30.974 > 97 99 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 > 97 100 P 0.00000000000000 0.50000000000000 0.50000000000000 30.974 > 97 101 P 0.00000000000000 0.00000000000000 0.25000000000000 30.974 > 101 102 P 0.00000000000000 0.50000000000000 0.25000000000000 30.974 > 101 103 P 0.00000000000000 0.00000000000000 0.75000000000000 30.974 > 101 104 P 0.00000000000000 0.50000000000000 0.75000000000000 30.974 > 101 105 P 0.34546980249763 0.01692360973422 0.08666022150784 30.974 > 105 106 P 0.34546980249763 0.51692360973422 0.08666022150784 30.974 > 105 107 P 0.34546980249763 0.01692360973422 0.58666022150784 30.974 > 105 108 P 0.34546980249763 0.51692360973422 0.58666022150784 30.974 > 105 109 P 0.15453019750237 0.23307639026578 0.41333977849216 30.974 > 109 110 P 0.15453019750237 0.73307639026578 0.41333977849216 30.974 > 109 111 P 0.15453019750237 0.23307639026578 0.91333977849216 30.974 > 109 112 P 0.15453019750237 0.73307639026578 0.91333977849216 30.974 > 109 113 P 0.34546980249763 0.48307639026578 0.33666022150784 30.974 > 113 114 P 0.34546980249763 0.98307639026578 0.33666022150784 30.974 > 113 115 P 0.34546980249763 0.48307639026578 0.83666022150784 30.974 > 113 116 P 0.34546980249763 0.98307639026578 0.83666022150784 30.974 > 113 117 P 0.15453019750237 0.26692360973422 0.16333977849216 30.974 > 117 118 P 0.15453019750237 0.76692360973422 0.16333977849216 30.974 > 117 119 P 0.15453019750237 0.26692360973422 0.66333977849216 30.974 > 117 120 P 0.15453019750237 0.76692360973422 0.66333977849216 30.974 > 117 121 P 0.50000000000000 0.25000000000000 0.00000000000000 30.974 > 97 122 P 0.50000000000000 0.75000000000000 0.00000000000000 30.974 > 97 123 P 0.50000000000000 0.25000000000000 0.50000000000000 30.974 > 97 124 P 0.50000000000000 0.75000000000000 0.50000000000000 30.974 > 97 125 P 0.50000000000000 0.25000000000000 0.25000000000000 30.974 > 101 126 P 0.50000000000000 0.75000000000000 0.25000000000000 30.974 > 101 127 P 0.50000000000000 0.25000000000000 0.75000000000000 30.974 > 101 128 P 0.50000000000000 0.75000000000000 0.75000000000000 30.974 > 101 129 P 0.84546980249763 0.26692360973422 0.08666022150784 30.974 > 105 130 P 0.84546980249763 0.76692360973422 0.08666022150784 30.974 > 105 131 P 0.84546980249763 0.26692360973422 0.58666022150784 30.974 > 105 132 P 0.84546980249763 0.76692360973422 0.58666022150784 30.974 > 105 133 P 0.65453019750237 0.48307639026578 0.41333977849216 30.974 > 109 134 P 0.65453019750237 0.98307639026578 0.41333977849216 30.974 > 109 135 P 0.65453019750237 0.48307639026578 0.91333977849216 30.974 > 109 136 P 0.65453019750237 0.98307639026578 0.91333977849216 30.974 > 109 137 P 0.84546980249763 0.23307639026578 0.33666022150784 30.974 > 113 138 P 0.84546980249763 0.73307639026578 0.33666022150784 30.974 > 113 139 P 0.84546980249763 0.23307639026578 0.83666022150784 30.974 > 113 140 P 0.84546980249763 0.73307639026578 0.83666022150784 30.974 > 113 141 P 0.65453019750237 0.01692360973422 0.16333977849216 30.974 > 117 142 P 0.65453019750237 0.51692360973422 0.16333977849216 30.974 > 117 143 P 0.65453019750237 0.01692360973422 0.66333977849216 30.974 > 117 144 P 0.65453019750237 0.51692360973422 0.66333977849216 30.974 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.4099642 0.0000000 -1.0218812 0.0000000 9.1430947 0.0000000 -1.0218584 0.0000000 12.0172739 -------------------------- Born effective charges -------------------------- 1 Li 1.0813400 -0.4728812 0.0620632 -0.0022877 0.6748206 0.4675867 0.0132933 -0.0599046 0.8117438 2 Li 1.0813400 0.4728812 0.0620632 0.0022877 0.6748206 -0.4675867 0.0132933 0.0599046 0.8117438 3 Li 1.0256929 -0.4286201 0.0774454 -0.0990361 1.0231028 -0.4503826 0.1484571 -0.2312107 0.8222447 4 Li 1.0813400 0.4728812 0.0620632 0.0022877 0.6748206 -0.4675867 0.0132933 0.0599046 0.8117438 5 Li 0.3300428 0.0000000 -0.0821357 0.0000000 0.9963695 0.0000000 -0.0966850 0.0000000 0.5631611 6 Li 1.0256929 0.4286201 0.0774454 0.0990361 1.0231028 0.4503826 0.1484571 0.2312107 0.8222447 7 Li 1.0813400 -0.4728812 0.0620632 -0.0022877 0.6748206 0.4675867 0.0132933 -0.0599046 0.8117438 8 Li 1.0256929 0.4286201 0.0774454 0.0990361 1.0231028 0.4503826 0.1484571 0.2312107 0.8222447 9 Li 0.3300428 0.0000000 -0.0821357 0.0000000 0.9963695 0.0000000 -0.0966850 0.0000000 0.5631611 10 Li 1.0256929 -0.4286201 0.0774454 -0.0990361 1.0231028 -0.4503826 0.1484571 -0.2312107 0.8222447 11 Ti 2.9169690 0.0000000 -0.6663169 0.0000000 2.6825833 0.0000000 -0.6056631 0.0000000 4.5608807 12 Ti 2.9169690 0.0000000 -0.6663169 0.0000000 2.6825833 0.0000000 -0.6056631 0.0000000 4.5608807 13 P -1.4978980 -0.6165769 1.1740050 -0.5915153 -2.4758925 1.4186151 1.1574912 1.9180861 -4.6481162 14 P -1.4978980 0.6165769 1.1740050 0.5915153 -2.4758925 -1.4186151 1.1574912 -1.9180861 -4.6481162 15 P -2.9815898 -1.0096505 -0.3522847 -1.1478262 -2.2994536 -0.5157946 -0.3893219 -0.3436815 -1.8719513 16 P -2.9815898 -1.0096505 -0.3522847 -1.1478262 -2.2994536 -0.5157946 -0.3893219 -0.3436815 -1.8719513 17 P -2.9815898 1.0096505 -0.3522847 1.1478262 -2.2994536 0.5157946 -0.3893219 0.3436815 -1.8719513 18 P -2.9815898 1.0096505 -0.3522847 1.1478262 -2.2994536 0.5157946 -0.3893219 0.3436815 -1.8719513 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 97, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 105, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] 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: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:41:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:41:33]------------------------- 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. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.473510675004070 -2.912884989999999 0.000000000000000 b 6.473510675004070 2.912884989999999 0.000000000000000 c -2.571796838266011 0.000000000000000 7.741227014258246 Atomic positions (fractional): 1 Li 0.08825545498147 0.56940355386182 0.90217337954636 6.941 2 Li 0.43059644613818 0.91174454501854 0.59782662045364 6.941 3 Li 0.06840499912448 0.58935895450303 0.42621875653000 6.941 4 Li 0.56940355386182 0.08825545498146 0.40217337954636 6.941 5 Li 0.72855072537210 0.27144927462790 0.25000000000000 6.941 6 Li 0.41064104549697 0.93159500087552 0.07378124347000 6.941 7 Li 0.91174454501854 0.43059644613817 0.09782662045364 6.941 8 Li 0.58935895450303 0.06840499912448 0.92621875653000 6.941 9 Li 0.27144927462790 0.72855072537210 0.75000000000000 6.941 10 Li 0.93159500087552 0.41064104549697 0.57378124347000 6.941 11 Ti 0.76706545187764 0.23293454812236 0.75000000000000 47.867 12 Ti 0.23293454812236 0.76706545187764 0.25000000000000 47.867 13 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 14 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 15 P 0.31162258302919 0.37931702196608 0.17332044301568 30.974 16 P 0.68837741697081 0.62068297803392 0.82667955698432 30.974 17 P 0.37931702196608 0.31162258302919 0.67332044301568 30.974 18 P 0.62068297803392 0.68837741697081 0.32667955698432 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.947021350008139 0.000000000000000 0.000000000000000 b 0.000000000000000 11.651539959999997 0.000000000000000 c -5.143593676532022 0.000000000000000 15.482454028516493 Atomic positions (fractional): 1 Li 0.32882950442164 0.12028702472009 0.45108668977318 6.941 > 1 2 Li 0.32882950442164 0.62028702472009 0.45108668977318 6.941 > 1 3 Li 0.32882950442164 0.12028702472009 0.95108668977318 6.941 > 1 4 Li 0.32882950442164 0.62028702472009 0.95108668977318 6.941 > 1 5 Li 0.17117049557836 0.37028702472009 0.29891331022682 6.941 > 5 6 Li 0.17117049557836 0.87028702472009 0.29891331022682 6.941 > 5 7 Li 0.17117049557836 0.37028702472009 0.79891331022682 6.941 > 5 8 Li 0.17117049557836 0.87028702472009 0.79891331022682 6.941 > 5 9 Li 0.32888197681376 0.13023848884464 0.21310937826500 6.941 > 9 10 Li 0.32888197681376 0.63023848884464 0.21310937826500 6.941 > 9 11 Li 0.32888197681376 0.13023848884464 0.71310937826500 6.941 > 9 12 Li 0.32888197681376 0.63023848884464 0.71310937826500 6.941 > 9 13 Li 0.32882950442164 0.37971297527991 0.20108668977318 6.941 > 13 14 Li 0.32882950442164 0.87971297527991 0.20108668977318 6.941 > 13 15 Li 0.32882950442164 0.37971297527991 0.70108668977318 6.941 > 13 16 Li 0.32882950442164 0.87971297527991 0.70108668977318 6.941 > 13 17 Li 0.00000000000000 0.13572463731395 0.12500000000000 6.941 > 17 18 Li 0.00000000000000 0.63572463731395 0.12500000000000 6.941 > 17 19 Li 0.00000000000000 0.13572463731395 0.62500000000000 6.941 > 17 20 Li 0.00000000000000 0.63572463731395 0.62500000000000 6.941 > 17 21 Li 0.17111802318624 0.38023848884464 0.03689062173500 6.941 > 21 22 Li 0.17111802318624 0.88023848884464 0.03689062173500 6.941 > 21 23 Li 0.17111802318624 0.38023848884464 0.53689062173500 6.941 > 21 24 Li 0.17111802318624 0.88023848884464 0.53689062173500 6.941 > 21 25 Li 0.17117049557836 0.12971297527991 0.04891331022682 6.941 > 25 26 Li 0.17117049557836 0.62971297527991 0.04891331022682 6.941 > 25 27 Li 0.17117049557836 0.12971297527991 0.54891331022682 6.941 > 25 28 Li 0.17117049557836 0.62971297527991 0.54891331022682 6.941 > 25 29 Li 0.32888197681376 0.36976151115536 0.46310937826500 6.941 > 29 30 Li 0.32888197681376 0.86976151115536 0.46310937826500 6.941 > 29 31 Li 0.32888197681376 0.36976151115536 0.96310937826500 6.941 > 29 32 Li 0.32888197681376 0.86976151115536 0.96310937826500 6.941 > 29 33 Li 0.00000000000000 0.36427536268605 0.37500000000000 6.941 > 33 34 Li 0.00000000000000 0.86427536268605 0.37500000000000 6.941 > 33 35 Li 0.00000000000000 0.36427536268605 0.87500000000000 6.941 > 33 36 Li 0.00000000000000 0.86427536268605 0.87500000000000 6.941 > 33 37 Li 0.17111802318624 0.11976151115536 0.28689062173500 6.941 > 37 38 Li 0.17111802318624 0.61976151115536 0.28689062173500 6.941 > 37 39 Li 0.17111802318624 0.11976151115536 0.78689062173500 6.941 > 37 40 Li 0.17111802318624 0.61976151115536 0.78689062173500 6.941 > 37 41 Li 0.82882950442165 0.37028702472009 0.45108668977318 6.941 > 1 42 Li 0.82882950442165 0.87028702472009 0.45108668977318 6.941 > 1 43 Li 0.82882950442165 0.37028702472009 0.95108668977318 6.941 > 1 44 Li 0.82882950442165 0.87028702472009 0.95108668977318 6.941 > 1 45 Li 0.67117049557835 0.12028702472009 0.29891331022682 6.941 > 5 46 Li 0.67117049557835 0.62028702472009 0.29891331022682 6.941 > 5 47 Li 0.67117049557835 0.12028702472009 0.79891331022682 6.941 > 5 48 Li 0.67117049557835 0.62028702472009 0.79891331022682 6.941 > 5 49 Li 0.82888197681376 0.38023848884464 0.21310937826500 6.941 > 9 50 Li 0.82888197681376 0.88023848884464 0.21310937826500 6.941 > 9 51 Li 0.82888197681376 0.38023848884464 0.71310937826500 6.941 > 9 52 Li 0.82888197681376 0.88023848884464 0.71310937826500 6.941 > 9 53 Li 0.82882950442165 0.12971297527991 0.20108668977318 6.941 > 13 54 Li 0.82882950442165 0.62971297527991 0.20108668977318 6.941 > 13 55 Li 0.82882950442165 0.12971297527991 0.70108668977318 6.941 > 13 56 Li 0.82882950442165 0.62971297527991 0.70108668977318 6.941 > 13 57 Li 0.50000000000000 0.38572463731395 0.12500000000000 6.941 > 17 58 Li 0.50000000000000 0.88572463731395 0.12500000000000 6.941 > 17 59 Li 0.50000000000000 0.38572463731395 0.62500000000000 6.941 > 17 60 Li 0.50000000000000 0.88572463731395 0.62500000000000 6.941 > 17 61 Li 0.67111802318624 0.13023848884464 0.03689062173500 6.941 > 21 62 Li 0.67111802318624 0.63023848884464 0.03689062173500 6.941 > 21 63 Li 0.67111802318624 0.13023848884464 0.53689062173500 6.941 > 21 64 Li 0.67111802318624 0.63023848884464 0.53689062173500 6.941 > 21 65 Li 0.67117049557835 0.37971297527991 0.04891331022682 6.941 > 25 66 Li 0.67117049557835 0.87971297527991 0.04891331022682 6.941 > 25 67 Li 0.67117049557835 0.37971297527991 0.54891331022682 6.941 > 25 68 Li 0.67117049557835 0.87971297527991 0.54891331022682 6.941 > 25 69 Li 0.82888197681376 0.11976151115536 0.46310937826500 6.941 > 29 70 Li 0.82888197681376 0.61976151115536 0.46310937826500 6.941 > 29 71 Li 0.82888197681376 0.11976151115536 0.96310937826500 6.941 > 29 72 Li 0.82888197681376 0.61976151115536 0.96310937826500 6.941 > 29 73 Li 0.50000000000000 0.11427536268605 0.37500000000000 6.941 > 33 74 Li 0.50000000000000 0.61427536268605 0.37500000000000 6.941 > 33 75 Li 0.50000000000000 0.11427536268605 0.87500000000000 6.941 > 33 76 Li 0.50000000000000 0.61427536268605 0.87500000000000 6.941 > 33 77 Li 0.67111802318624 0.36976151115536 0.28689062173500 6.941 > 37 78 Li 0.67111802318624 0.86976151115536 0.28689062173500 6.941 > 37 79 Li 0.67111802318624 0.36976151115536 0.78689062173500 6.941 > 37 80 Li 0.67111802318624 0.86976151115536 0.78689062173500 6.941 > 37 81 Ti 0.00000000000000 0.11646727406118 0.37500000000000 47.867 > 81 82 Ti 0.00000000000000 0.61646727406118 0.37500000000000 47.867 > 81 83 Ti 0.00000000000000 0.11646727406118 0.87500000000000 47.867 > 81 84 Ti 0.00000000000000 0.61646727406118 0.87500000000000 47.867 > 81 85 Ti 0.00000000000000 0.38353272593882 0.12500000000000 47.867 > 85 86 Ti 0.00000000000000 0.88353272593882 0.12500000000000 47.867 > 85 87 Ti 0.00000000000000 0.38353272593882 0.62500000000000 47.867 > 85 88 Ti 0.00000000000000 0.88353272593882 0.62500000000000 47.867 > 85 89 Ti 0.50000000000000 0.36646727406118 0.37500000000000 47.867 > 81 90 Ti 0.50000000000000 0.86646727406118 0.37500000000000 47.867 > 81 91 Ti 0.50000000000000 0.36646727406118 0.87500000000000 47.867 > 81 92 Ti 0.50000000000000 0.86646727406118 0.87500000000000 47.867 > 81 93 Ti 0.50000000000000 0.13353272593882 0.12500000000000 47.867 > 85 94 Ti 0.50000000000000 0.63353272593882 0.12500000000000 47.867 > 85 95 Ti 0.50000000000000 0.13353272593882 0.62500000000000 47.867 > 85 96 Ti 0.50000000000000 0.63353272593882 0.62500000000000 47.867 > 85 97 P 0.00000000000000 0.00000000000000 0.00000000000000 30.974 > 97 98 P 0.00000000000000 0.50000000000000 0.00000000000000 30.974 > 97 99 P 0.00000000000000 0.00000000000000 0.50000000000000 30.974 > 97 100 P 0.00000000000000 0.50000000000000 0.50000000000000 30.974 > 97 101 P 0.00000000000000 0.00000000000000 0.25000000000000 30.974 > 101 102 P 0.00000000000000 0.50000000000000 0.25000000000000 30.974 > 101 103 P 0.00000000000000 0.00000000000000 0.75000000000000 30.974 > 101 104 P 0.00000000000000 0.50000000000000 0.75000000000000 30.974 > 101 105 P 0.34546980249763 0.01692360973422 0.08666022150784 30.974 > 105 106 P 0.34546980249763 0.51692360973422 0.08666022150784 30.974 > 105 107 P 0.34546980249763 0.01692360973422 0.58666022150784 30.974 > 105 108 P 0.34546980249763 0.51692360973422 0.58666022150784 30.974 > 105 109 P 0.15453019750237 0.23307639026578 0.41333977849216 30.974 > 109 110 P 0.15453019750237 0.73307639026578 0.41333977849216 30.974 > 109 111 P 0.15453019750237 0.23307639026578 0.91333977849216 30.974 > 109 112 P 0.15453019750237 0.73307639026578 0.91333977849216 30.974 > 109 113 P 0.34546980249763 0.48307639026578 0.33666022150784 30.974 > 113 114 P 0.34546980249763 0.98307639026578 0.33666022150784 30.974 > 113 115 P 0.34546980249763 0.48307639026578 0.83666022150784 30.974 > 113 116 P 0.34546980249763 0.98307639026578 0.83666022150784 30.974 > 113 117 P 0.15453019750237 0.26692360973422 0.16333977849216 30.974 > 117 118 P 0.15453019750237 0.76692360973422 0.16333977849216 30.974 > 117 119 P 0.15453019750237 0.26692360973422 0.66333977849216 30.974 > 117 120 P 0.15453019750237 0.76692360973422 0.66333977849216 30.974 > 117 121 P 0.50000000000000 0.25000000000000 0.00000000000000 30.974 > 97 122 P 0.50000000000000 0.75000000000000 0.00000000000000 30.974 > 97 123 P 0.50000000000000 0.25000000000000 0.50000000000000 30.974 > 97 124 P 0.50000000000000 0.75000000000000 0.50000000000000 30.974 > 97 125 P 0.50000000000000 0.25000000000000 0.25000000000000 30.974 > 101 126 P 0.50000000000000 0.75000000000000 0.25000000000000 30.974 > 101 127 P 0.50000000000000 0.25000000000000 0.75000000000000 30.974 > 101 128 P 0.50000000000000 0.75000000000000 0.75000000000000 30.974 > 101 129 P 0.84546980249763 0.26692360973422 0.08666022150784 30.974 > 105 130 P 0.84546980249763 0.76692360973422 0.08666022150784 30.974 > 105 131 P 0.84546980249763 0.26692360973422 0.58666022150784 30.974 > 105 132 P 0.84546980249763 0.76692360973422 0.58666022150784 30.974 > 105 133 P 0.65453019750237 0.48307639026578 0.41333977849216 30.974 > 109 134 P 0.65453019750237 0.98307639026578 0.41333977849216 30.974 > 109 135 P 0.65453019750237 0.48307639026578 0.91333977849216 30.974 > 109 136 P 0.65453019750237 0.98307639026578 0.91333977849216 30.974 > 109 137 P 0.84546980249763 0.23307639026578 0.33666022150784 30.974 > 113 138 P 0.84546980249763 0.73307639026578 0.33666022150784 30.974 > 113 139 P 0.84546980249763 0.23307639026578 0.83666022150784 30.974 > 113 140 P 0.84546980249763 0.73307639026578 0.83666022150784 30.974 > 113 141 P 0.65453019750237 0.01692360973422 0.16333977849216 30.974 > 117 142 P 0.65453019750237 0.51692360973422 0.16333977849216 30.974 > 117 143 P 0.65453019750237 0.01692360973422 0.66333977849216 30.974 > 117 144 P 0.65453019750237 0.51692360973422 0.66333977849216 30.974 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.4099642 0.0000000 -1.0218812 0.0000000 9.1430947 0.0000000 -1.0218584 0.0000000 12.0172739 -------------------------- Born effective charges -------------------------- 1 Li 1.0813400 -0.4728812 0.0620632 -0.0022877 0.6748206 0.4675867 0.0132933 -0.0599046 0.8117438 2 Li 1.0813400 0.4728812 0.0620632 0.0022877 0.6748206 -0.4675867 0.0132933 0.0599046 0.8117438 3 Li 1.0256929 -0.4286201 0.0774454 -0.0990361 1.0231028 -0.4503826 0.1484571 -0.2312107 0.8222447 4 Li 1.0813400 0.4728812 0.0620632 0.0022877 0.6748206 -0.4675867 0.0132933 0.0599046 0.8117438 5 Li 0.3300428 0.0000000 -0.0821357 0.0000000 0.9963695 0.0000000 -0.0966850 0.0000000 0.5631611 6 Li 1.0256929 0.4286201 0.0774454 0.0990361 1.0231028 0.4503826 0.1484571 0.2312107 0.8222447 7 Li 1.0813400 -0.4728812 0.0620632 -0.0022877 0.6748206 0.4675867 0.0132933 -0.0599046 0.8117438 8 Li 1.0256929 0.4286201 0.0774454 0.0990361 1.0231028 0.4503826 0.1484571 0.2312107 0.8222447 9 Li 0.3300428 0.0000000 -0.0821357 0.0000000 0.9963695 0.0000000 -0.0966850 0.0000000 0.5631611 10 Li 1.0256929 -0.4286201 0.0774454 -0.0990361 1.0231028 -0.4503826 0.1484571 -0.2312107 0.8222447 11 Ti 2.9169690 0.0000000 -0.6663169 0.0000000 2.6825833 0.0000000 -0.6056631 0.0000000 4.5608807 12 Ti 2.9169690 0.0000000 -0.6663169 0.0000000 2.6825833 0.0000000 -0.6056631 0.0000000 4.5608807 13 P -1.4978980 -0.6165769 1.1740050 -0.5915153 -2.4758925 1.4186151 1.1574912 1.9180861 -4.6481162 14 P -1.4978980 0.6165769 1.1740050 0.5915153 -2.4758925 -1.4186151 1.1574912 -1.9180861 -4.6481162 15 P -2.9815898 -1.0096505 -0.3522847 -1.1478262 -2.2994536 -0.5157946 -0.3893219 -0.3436815 -1.8719513 16 P -2.9815898 -1.0096505 -0.3522847 -1.1478262 -2.2994536 -0.5157946 -0.3893219 -0.3436815 -1.8719513 17 P -2.9815898 1.0096505 -0.3522847 1.1478262 -2.2994536 0.5157946 -0.3893219 0.3436815 -1.8719513 18 P -2.9815898 1.0096505 -0.3522847 1.1478262 -2.2994536 0.5157946 -0.3893219 0.3436815 -1.8719513 ---------------------------------------------------------------------------- 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 ... [ 9 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 307, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 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 4.133 ( 0.000 0.000 0.000) 0.000 4.645 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.509 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 6.027 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.870 ( 0.000 0.000 0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 7.363 ( 0.000 0.000 0.000) 0.000 7.480 ( 0.000 0.000 0.000) 0.000 7.732 ( 0.000 0.000 0.000) 0.000 7.899 ( 0.000 0.000 0.000) 0.000 8.021 ( 0.000 0.000 0.000) 0.000 8.195 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.841 ( 0.000 0.000 0.000) 0.000 9.023 ( 0.000 0.000 0.000) 0.000 9.427 ( 0.000 0.000 0.000) 0.000 9.603 ( 0.000 0.000 0.000) 0.000 10.125 ( 0.000 0.000 0.000) 0.000 10.168 ( 0.000 0.000 0.000) 0.000 10.433 ( 0.000 0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.703 ( 0.000 0.000 0.000) 0.000 10.776 ( 0.000 0.000 0.000) 0.000 10.916 ( 0.000 0.000 0.000) 0.000 11.036 ( 0.000 0.000 0.000) 0.000 11.195 ( 0.000 0.000 0.000) 0.000 11.198 ( 0.000 0.000 0.000) 0.000 11.582 ( 0.000 0.000 0.000) 0.000 11.586 ( 0.000 0.000 0.000) 0.000 11.633 ( 0.000 0.000 0.000) 0.000 11.721 ( 0.000 0.000 0.000) 0.000 12.059 ( 0.000 0.000 0.000) 0.000 12.391 ( 0.000 0.000 0.000) 0.000 12.685 ( 0.000 0.000 0.000) 0.000 12.688 ( 0.000 0.000 0.000) 0.000 12.920 ( 0.000 0.000 0.000) 0.000 12.943 ( 0.000 0.000 0.000) 0.000 13.114 ( 0.000 0.000 0.000) 0.000 13.796 ( 0.000 0.000 0.000) 0.000 13.942 ( 0.000 0.000 0.000) 0.000 14.172 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( 16.278 -33.195 4.349) 37.227 0.873 ( 16.930 -36.737 4.523) 40.703 1.439 ( 25.345 -60.796 8.631) 66.431 4.092 ( 1.174 3.868 -1.946) 4.487 4.554 ( -2.169 7.399 -11.324) 13.700 4.631 ( -1.562 4.437 -4.622) 6.595 4.711 ( -4.757 8.675 3.991) 10.668 4.830 ( -0.439 5.544 3.577) 6.613 4.871 ( 2.481 7.871 4.882) 9.588 5.256 ( -1.703 -4.725 -1.132) 5.148 5.541 ( -5.018 -1.931 4.006) 6.705 5.622 ( -1.584 -5.803 4.005) 7.226 6.100 ( 2.769 -5.741 -2.635) 6.897 6.269 ( -5.375 -0.897 -0.062) 5.449 6.410 ( 2.976 5.216 -1.308) 6.146 6.529 ( 0.958 3.557 -1.340) 3.920 6.954 ( 2.551 -4.941 -2.202) 5.981 7.077 ( 2.517 -4.558 0.041) 5.207 7.492 ( 0.631 -10.171 5.034) 11.366 7.549 ( -0.679 -8.024 -2.243) 8.359 7.702 ( -0.158 2.410 -1.262) 2.725 7.928 ( -5.678 -5.738 -1.464) 8.205 8.039 ( -5.505 -4.765 0.075) 7.282 8.343 ( 11.117 -4.012 0.629) 11.835 8.633 ( -5.250 -3.750 -2.591) 6.952 8.922 ( -4.556 -2.004 2.324) 5.493 9.097 ( 10.070 -1.677 6.480) 12.091 9.388 ( -6.016 0.404 -1.062) 6.122 9.660 ( 1.678 -3.831 0.360) 4.198 10.085 ( -6.466 4.243 -2.740) 8.205 10.167 ( 2.163 -0.518 -0.527) 2.285 10.420 ( 8.654 6.905 -2.540) 11.359 10.466 ( 0.186 2.274 1.402) 2.678 10.542 ( -0.315 -1.344 3.021) 3.322 10.799 ( -3.765 -3.373 2.109) 5.478 10.881 ( -2.194 1.886 1.785) 3.400 10.927 ( 5.841 1.447 3.306) 6.866 11.159 ( -2.102 2.195 -4.090) 5.096 11.182 ( -2.092 0.285 -0.336) 2.138 11.488 ( 1.606 6.986 -1.805) 7.392 11.591 ( 0.250 1.160 -0.668) 1.362 11.637 ( 0.727 7.710 1.458) 7.881 11.647 ( 2.696 1.903 4.792) 5.819 12.057 ( -0.962 -0.395 0.442) 1.130 12.332 ( -4.210 0.121 -5.249) 6.730 12.485 ( -4.780 -7.312 -6.643) 10.975 12.668 ( -0.671 1.392 0.050) 1.545 12.697 ( -0.725 -1.056 2.774) 3.056 12.937 ( 0.048 -0.554 -1.602) 1.696 13.016 ( 8.475 1.968 2.779) 9.133 13.387 ( 5.054 4.797 1.742) 7.182 13.824 ( -2.655 3.633 -0.900) 4.589 13.901 ( -0.058 4.119 -0.154) 4.122 14.142 ( 0.999 3.703 0.067) 3.836 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 16.204 -33.030 4.224) 37.033 1.705 ( 14.747 -34.767 3.876) 37.964 2.755 ( 19.291 -52.954 6.115) 56.689 4.018 ( 2.696 4.591 -4.087) 6.712 4.297 ( -6.656 11.502 -5.488) 14.378 4.410 ( -5.192 9.960 -11.917) 16.376 4.536 ( -2.435 9.547 -0.957) 9.899 4.691 ( 3.736 12.201 -0.368) 12.765 4.762 ( 4.988 5.884 14.699) 16.600 5.293 ( -7.148 -3.877 -5.215) 9.660 5.547 ( -7.121 -1.372 10.971) 13.151 5.753 ( 1.618 -4.304 5.342) 7.049 6.121 ( -8.270 6.814 3.497) 11.272 6.227 ( 3.037 -3.489 -5.852) 7.460 6.425 ( 1.516 -4.573 -1.295) 4.989 6.508 ( 2.349 -0.258 -3.599) 4.305 7.023 ( 1.765 -1.162 -4.942) 5.375 7.194 ( 4.681 -3.784 0.668) 6.056 7.590 ( -2.300 1.817 -2.502) 3.854 7.730 ( -1.657 -13.220 0.807) 13.347 7.865 ( 2.834 -18.693 -1.132) 18.940 8.021 ( -9.576 -9.723 -0.748) 13.668 8.129 ( -1.306 -8.711 -1.212) 8.892 8.552 ( 12.744 -5.817 2.143) 14.172 8.700 ( -4.365 -8.854 -1.765) 10.028 8.909 ( -6.508 -1.278 2.992) 7.276 9.265 ( 9.547 -2.413 6.685) 11.902 9.336 ( -1.786 -1.294 -1.221) 2.521 9.765 ( 0.148 -5.180 1.731) 5.464 9.905 ( -7.185 6.761 -1.908) 10.049 10.210 ( 5.316 -0.696 -1.696) 5.624 10.339 ( 6.112 7.293 -3.490) 10.135 10.404 ( 0.739 5.221 4.875) 7.181 10.557 ( -6.064 -1.873 3.496) 7.246 10.749 ( -5.387 5.466 4.983) 9.150 10.836 ( -3.261 -0.188 -1.655) 3.662 11.007 ( 1.892 -3.226 4.157) 5.592 11.066 ( -2.515 3.009 -7.340) 8.321 11.153 ( -3.164 0.014 -2.975) 4.343 11.353 ( 4.416 10.442 5.029) 12.403 11.455 ( 4.279 12.214 1.382) 13.015 11.516 ( 1.837 6.731 -4.306) 8.199 11.668 ( 2.864 -0.461 5.391) 6.122 12.067 ( -2.225 -1.802 0.833) 2.982 12.285 ( -1.337 0.336 -7.649) 7.772 12.539 ( 0.013 -0.809 -0.927) 1.230 12.634 ( -0.768 0.645 -0.366) 1.068 12.735 ( -0.740 -2.606 2.982) 4.029 12.950 ( -0.745 -1.591 -1.632) 2.397 13.067 ( 3.245 -1.305 -0.491) 3.532 13.315 ( 2.093 6.543 0.735) 6.909 13.710 ( -2.881 4.776 -1.024) 5.670 13.791 ( -0.070 6.980 0.048) 6.980 14.049 ( 1.329 6.935 -0.126) 7.062 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( 14.654 -30.529 3.950) 34.094 2.463 ( 11.562 -31.450 2.754) 33.621 3.626 ( 0.025 -17.811 -3.925) 18.238 3.932 ( 1.678 5.425 -5.627) 7.995 4.053 ( -1.947 7.233 2.547) 7.912 4.191 ( -1.392 9.071 -2.546) 9.524 4.351 ( 2.314 0.346 -3.239) 3.995 4.452 ( -0.541 11.556 -2.476) 11.830 4.848 ( 11.308 -4.109 11.782) 16.840 5.261 ( -10.433 -3.319 -8.451) 13.830 5.510 ( -3.892 4.011 11.277) 12.586 5.684 ( -3.978 9.775 1.586) 10.672 6.078 ( 3.376 -3.128 6.295) 7.798 6.290 ( -2.358 -4.752 -1.254) 5.451 6.489 ( -1.801 2.996 -2.896) 4.540 6.529 ( -0.466 -4.287 -3.279) 5.417 7.023 ( 1.064 -0.146 -6.835) 6.919 7.289 ( 6.548 -0.545 1.624) 6.768 7.546 ( -3.183 -0.584 -1.406) 3.528 7.955 ( 1.840 -9.625 -2.411) 10.092 8.105 ( -8.202 -7.404 -0.409) 11.057 8.259 ( 0.564 -17.340 0.606) 17.359 8.334 ( 1.342 -13.351 -2.084) 13.579 8.733 ( 3.437 -2.795 6.055) 7.503 8.901 ( 3.266 -12.198 -0.801) 12.652 8.923 ( -5.350 -6.555 0.370) 8.469 9.276 ( -3.047 -1.333 -1.664) 3.718 9.510 ( 11.788 -5.478 4.007) 13.603 9.667 ( -3.728 9.527 -1.049) 10.284 9.889 ( -3.728 -5.465 5.116) 8.363 10.199 ( 3.565 6.525 -4.983) 8.951 10.264 ( 3.416 4.717 -4.313) 7.247 10.351 ( 2.461 1.410 8.062) 8.546 10.533 ( -7.613 -1.286 4.476) 8.924 10.577 ( -5.141 8.285 3.660) 10.415 10.799 ( -2.576 1.727 -5.096) 5.966 10.945 ( -0.523 2.582 -9.033) 9.410 11.036 ( -7.252 3.781 9.800) 12.765 11.119 ( 1.113 0.071 -5.545) 5.656 11.158 ( 2.807 12.898 4.288) 13.879 11.373 ( 1.263 7.707 -3.091) 8.399 11.396 ( 9.833 0.560 3.340) 10.400 11.718 ( 1.308 -0.440 1.706) 2.195 12.096 ( -2.302 -3.722 1.078) 4.507 12.262 ( -0.235 -1.052 -7.051) 7.133 12.497 ( 0.047 4.505 1.725) 4.824 12.644 ( 0.780 -0.784 0.912) 1.433 12.791 ( 0.644 -2.451 0.955) 2.708 12.972 ( -1.708 -1.777 -1.511) 2.891 13.087 ( -1.133 1.485 -3.233) 3.734 13.205 ( 2.764 4.736 1.593) 5.710 13.595 ( -2.817 5.054 -0.806) 5.842 13.668 ( -0.962 4.187 0.264) 4.304 13.914 ( 1.812 7.922 -0.217) 8.130 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( 7.806 -18.611 2.544) 20.342 3.081 ( 6.626 -21.649 0.770) 22.653 3.601 ( -2.048 4.552 -1.611) 5.245 3.794 ( -3.063 5.189 -1.948) 6.333 3.878 ( -1.582 16.257 -2.749) 16.564 3.928 ( -0.844 4.888 0.251) 4.967 4.288 ( -1.821 3.311 -2.135) 4.341 4.540 ( 3.063 -4.434 1.701) 5.651 5.116 ( 1.581 -5.311 1.449) 5.727 5.279 ( -8.079 -12.367 -4.427) 15.421 5.413 ( 9.635 7.508 7.121) 14.139 5.534 ( -1.848 3.068 2.449) 4.338 6.179 ( 5.522 -1.531 0.106) 5.731 6.301 ( -4.791 6.264 -1.156) 7.971 6.415 ( -6.260 -6.564 6.679) 11.264 6.525 ( 1.242 3.513 -6.966) 7.900 7.024 ( 0.438 -0.594 -2.947) 3.038 7.336 ( 3.610 0.557 0.768) 3.732 7.541 ( -1.716 -0.943 -0.394) 1.997 8.085 ( 2.817 -2.204 -1.542) 3.895 8.160 ( -4.751 -3.969 -0.015) 6.190 8.450 ( -0.028 -4.661 0.584) 4.697 8.620 ( 1.377 -11.396 -3.883) 12.117 8.763 ( -1.193 1.608 6.314) 6.624 9.029 ( -0.066 -5.202 0.071) 5.203 9.136 ( 0.630 -7.032 0.116) 7.061 9.299 ( 1.201 -1.881 -3.742) 4.356 9.457 ( -1.879 6.352 1.647) 6.826 9.750 ( 5.123 -8.979 0.377) 10.345 9.954 ( 0.095 0.291 7.582) 7.588 10.048 ( -0.601 6.851 -2.262) 7.239 10.185 ( -1.397 1.596 -7.167) 7.474 10.369 ( -2.382 5.404 4.910) 7.681 10.414 ( 0.795 -0.218 2.783) 2.903 10.512 ( -1.213 1.928 0.950) 2.468 10.719 ( -0.352 1.482 -4.005) 4.285 10.871 ( -1.700 3.744 1.130) 4.264 10.968 ( -4.122 -3.422 -4.352) 6.902 11.016 ( 3.838 6.512 6.472) 9.951 11.093 ( -0.090 1.775 -2.252) 2.869 11.257 ( 0.770 3.681 -1.005) 3.893 11.532 ( 6.159 -4.805 2.282) 8.138 11.679 ( -3.162 3.460 -1.386) 4.888 12.192 ( -0.281 -5.691 1.699) 5.946 12.275 ( 0.646 -1.656 -4.457) 4.799 12.400 ( -0.521 5.539 2.342) 6.036 12.658 ( 0.323 0.138 0.655) 0.743 12.841 ( 3.343 -0.683 1.535) 3.742 12.925 ( -4.285 2.421 -3.473) 6.024 13.040 ( 0.162 0.069 -0.680) 0.703 13.211 ( 0.886 -0.967 0.576) 1.432 13.481 ( -0.975 3.669 0.140) 3.799 13.621 ( -1.638 0.196 -0.245) 1.668 13.807 ( 1.522 3.994 -0.012) 4.274 ======================= Grid point 10 (6/140) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 37.086 -0.000 11.041) 38.694 0.758 ( 40.321 -0.000 9.848) 41.506 1.206 ( 61.664 -0.000 21.207) 65.209 4.121 ( 0.043 -0.000 -4.191) 4.191 4.598 ( 2.013 -0.000 -17.489) 17.605 4.626 ( -5.815 0.000 -8.324) 10.154 4.775 ( -9.398 0.000 -5.571) 10.925 4.868 ( -1.903 0.000 19.259) 19.353 4.957 ( -1.164 0.000 4.764) 4.904 5.223 ( 2.796 -0.000 -0.316) 2.814 5.491 ( -8.464 0.000 5.576) 10.135 5.504 ( -2.501 0.000 8.384) 8.749 6.047 ( 3.531 -0.000 -5.869) 6.849 6.231 ( -4.731 0.000 -1.106) 4.859 6.463 ( 1.261 -0.000 -1.683) 2.103 6.605 ( 4.296 -0.000 0.397) 4.314 6.919 ( 6.243 -0.000 -5.222) 8.139 7.053 ( 4.087 -0.000 0.332) 4.101 7.429 ( -0.801 0.000 -2.219) 2.359 7.467 ( -2.960 0.000 8.932) 9.410 7.677 ( -4.649 0.000 -4.473) 6.452 7.852 ( -11.171 0.000 0.577) 11.186 7.925 ( -6.336 0.000 -4.424) 7.728 8.404 ( 14.951 -0.000 1.974) 15.081 8.572 ( -3.056 0.000 0.376) 3.079 8.837 ( -3.221 0.000 4.974) 5.926 9.210 ( 13.142 -0.000 9.459) 16.193 9.302 ( -9.822 0.000 -2.671) 10.179 9.648 ( 3.238 -0.000 0.472) 3.272 10.076 ( -8.874 0.000 -3.907) 9.696 10.143 ( 2.415 -0.000 -3.489) 4.244 10.478 ( -3.298 0.000 6.677) 7.447 10.523 ( 3.731 -0.000 -1.350) 3.967 10.591 ( -4.100 0.000 -9.653) 10.488 10.745 ( 1.810 -0.000 7.476) 7.691 10.880 ( -4.202 0.000 4.588) 6.221 11.006 ( -5.137 0.000 5.099) 7.238 11.137 ( -3.802 0.000 -6.496) 7.527 11.165 ( -2.149 0.000 -3.314) 3.950 11.506 ( -1.847 0.000 -2.712) 3.281 11.659 ( 3.054 -0.000 0.543) 3.102 11.694 ( 3.158 -0.000 13.831) 14.187 11.731 ( 1.324 -0.000 -0.192) 1.338 12.059 ( 0.729 -0.000 -2.446) 2.552 12.202 ( 9.622 -0.000 -7.148) 11.986 12.427 ( 3.629 -0.000 0.795) 3.715 12.665 ( -2.551 0.000 0.168) 2.557 12.680 ( 0.169 -0.000 -1.938) 1.945 12.925 ( -0.322 0.000 -2.514) 2.535 13.121 ( 1.051 -0.000 -1.377) 1.732 13.604 ( -1.711 0.000 -1.425) 2.227 13.797 ( 0.090 -0.000 0.345) 0.356 13.940 ( -0.130 0.000 -0.473) 0.491 14.196 ( 2.463 -0.000 0.140) 2.467 ======================= Grid point 11 (7/140) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( 30.334 -20.042 8.650) 37.372 1.356 ( 31.092 -21.699 8.167) 38.785 2.169 ( 44.880 -35.752 15.007) 59.310 4.090 ( 1.040 2.095 -5.792) 6.246 4.433 ( -6.258 10.073 -7.249) 13.899 4.476 ( -5.803 6.277 -15.693) 17.871 4.629 ( -6.873 4.870 -5.436) 10.026 4.872 ( 1.764 2.677 10.525) 11.002 4.943 ( -0.835 3.711 8.737) 9.529 5.203 ( -1.927 2.505 -2.020) 3.751 5.455 ( -9.957 -3.076 10.492) 14.788 5.625 ( -1.755 -8.989 10.173) 13.688 6.126 ( -0.876 -1.644 -4.597) 4.960 6.161 ( -2.579 -1.832 -2.104) 3.799 6.417 ( -0.598 3.582 -3.916) 5.341 6.603 ( 8.594 4.248 -1.478) 9.700 6.992 ( 3.439 -2.410 -6.527) 7.761 7.151 ( 5.719 -4.884 0.724) 7.556 7.508 ( -1.922 -6.975 -1.140) 7.324 7.527 ( -0.044 -8.586 1.180) 8.667 7.654 ( -3.221 -1.426 -4.027) 5.350 7.775 ( -8.674 -6.409 0.607) 10.802 7.941 ( -5.574 -7.290 -3.641) 9.873 8.556 ( 4.792 -2.574 1.553) 5.657 8.595 ( 8.970 -3.434 0.345) 9.611 8.829 ( -8.980 -1.415 4.242) 10.032 9.239 ( -7.005 -1.687 -1.772) 7.420 9.373 ( 13.624 -1.892 8.901) 16.384 9.701 ( 2.033 -2.564 2.228) 3.959 9.927 ( -9.731 3.834 -3.651) 11.078 10.201 ( 2.541 -3.413 -4.580) 6.252 10.456 ( -10.521 -0.361 9.439) 14.139 10.480 ( 2.090 4.596 -6.385) 8.140 10.530 ( 2.626 2.696 1.404) 4.016 10.784 ( -1.680 1.296 5.441) 5.840 10.833 ( -4.919 1.821 3.706) 6.422 10.956 ( -5.238 -0.701 2.887) 6.022 11.084 ( -3.061 1.082 -5.162) 6.098 11.128 ( -1.187 0.638 -5.271) 5.440 11.508 ( 1.145 -0.093 -0.937) 1.482 11.633 ( 3.918 5.279 3.153) 7.291 11.679 ( 3.742 6.724 -0.463) 7.709 11.750 ( 4.537 2.012 7.927) 9.353 12.040 ( -0.482 0.754 -0.343) 0.959 12.259 ( 2.110 0.644 -5.327) 5.765 12.495 ( 4.042 -3.001 -0.160) 5.037 12.656 ( -2.196 0.899 2.210) 3.243 12.677 ( -0.279 -2.106 -2.909) 3.602 12.918 ( -0.681 -0.499 -2.736) 2.864 13.104 ( 2.245 1.556 -1.603) 3.167 13.475 ( 2.794 7.715 0.543) 8.224 13.774 ( -1.844 3.486 -0.231) 3.951 13.897 ( -0.257 4.062 -0.609) 4.115 14.174 ( 2.523 4.439 0.096) 5.107 ======================= Grid point 12 (8/140) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 23.744 -25.560 6.307) 35.452 2.065 ( 22.390 -25.372 6.266) 34.414 3.181 ( 21.945 -31.557 5.758) 38.866 4.026 ( 1.229 4.297 -8.108) 9.258 4.174 ( -5.661 7.587 0.708) 9.493 4.258 ( -3.324 5.965 -11.490) 13.366 4.438 ( -4.331 7.556 -7.248) 11.330 4.754 ( 2.867 14.972 1.153) 15.287 4.945 ( 4.261 -0.528 13.135) 13.819 5.119 ( -6.647 0.132 -4.767) 8.181 5.477 ( -10.320 -3.645 14.665) 18.299 5.771 ( -2.774 -0.135 4.073) 4.930 6.022 ( -5.127 -1.860 8.096) 9.761 6.250 ( 3.749 0.422 -7.382) 8.290 6.393 ( -2.036 -5.998 -4.602) 7.830 6.595 ( 8.463 4.484 -1.675) 9.722 6.999 ( -0.095 -0.002 -9.596) 9.597 7.305 ( 6.694 -4.138 1.624) 8.036 7.505 ( -5.205 0.669 -2.702) 5.902 7.713 ( -0.685 -13.293 -2.452) 13.535 7.877 ( -2.750 -13.201 -1.498) 13.567 7.903 ( -1.708 -15.264 1.616) 15.444 8.092 ( -1.709 -12.788 -2.378) 13.119 8.655 ( 1.665 -5.936 1.498) 6.344 8.733 ( -5.538 -3.382 3.001) 7.149 8.845 ( 7.440 -5.247 1.031) 9.162 9.216 ( -4.401 -1.355 -1.201) 4.759 9.552 ( 10.812 -2.852 6.171) 12.771 9.756 ( -5.416 4.193 -2.277) 7.218 9.791 ( -1.189 -3.269 3.804) 5.154 10.271 ( 3.229 -1.290 -5.272) 6.316 10.355 ( -2.196 3.085 -4.963) 6.243 10.434 ( -7.562 0.310 7.171) 10.426 10.458 ( -1.460 5.710 9.111) 10.851 10.677 ( -7.262 5.959 7.621) 12.096 10.776 ( -1.395 0.778 -6.801) 6.986 10.942 ( -7.147 -0.892 -5.746) 9.214 11.014 ( -3.288 2.464 1.182) 4.276 11.109 ( 1.105 -0.595 -2.787) 3.057 11.448 ( 3.003 10.561 6.995) 13.019 11.540 ( 3.906 8.751 -2.877) 10.005 11.598 ( 10.133 5.621 -0.939) 11.626 11.772 ( 4.634 1.016 6.972) 8.433 12.032 ( -1.769 -0.814 0.695) 2.068 12.226 ( -0.104 0.781 -5.599) 5.655 12.558 ( 0.120 0.846 2.712) 2.843 12.636 ( 1.415 -0.672 -1.593) 2.234 12.721 ( -0.853 -3.619 -1.239) 3.919 12.921 ( -1.396 -1.439 -1.983) 2.820 13.090 ( 0.428 0.961 -3.121) 3.293 13.365 ( 2.856 7.058 0.988) 7.678 13.659 ( -2.091 5.792 -0.452) 6.175 13.786 ( -0.558 6.749 -0.195) 6.775 14.077 ( 1.985 7.346 -0.179) 7.612 ======================= Grid point 13 (9/140) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( 15.628 -23.260 4.012) 28.308 2.720 ( 15.338 -24.153 4.168) 28.914 3.570 ( -2.484 -4.672 -5.571) 7.683 3.875 ( -2.893 6.114 -6.781) 9.578 4.045 ( -3.406 6.454 -2.229) 7.631 4.197 ( 2.143 11.501 4.374) 12.490 4.312 ( -1.952 -2.273 -6.720) 7.358 4.483 ( 3.814 9.134 0.448) 9.908 5.020 ( -8.078 -6.170 -2.365) 10.436 5.139 ( 10.010 -2.102 5.741) 11.730 5.486 ( -8.147 -1.837 14.142) 16.424 5.648 ( 1.917 5.666 0.756) 6.029 6.181 ( 4.257 -5.694 6.702) 9.770 6.249 ( -1.985 -4.379 -0.968) 4.904 6.418 ( -2.231 5.295 -4.121) 7.070 6.572 ( 5.703 1.943 -1.474) 6.202 6.975 ( -1.191 -1.495 -9.519) 9.709 7.363 ( -1.790 1.225 -0.083) 2.171 7.503 ( 1.399 -2.892 0.214) 3.220 7.952 ( -3.549 -12.116 -3.329) 13.057 8.000 ( -0.789 -6.931 -0.517) 6.995 8.269 ( 0.281 -17.075 -0.042) 17.078 8.353 ( 2.207 -14.140 -2.327) 14.499 8.733 ( -5.898 -3.685 5.549) 8.897 8.843 ( -0.072 -10.539 -0.278) 10.542 9.040 ( 7.152 -5.049 3.085) 9.282 9.231 ( -0.298 -3.882 -3.334) 5.126 9.584 ( -4.870 5.601 -0.850) 7.470 9.695 ( 5.554 -1.575 1.595) 5.989 9.897 ( 2.469 -5.455 4.150) 7.285 10.194 ( -2.830 6.546 -1.703) 7.332 10.256 ( 0.544 6.610 -3.677) 7.583 10.409 ( -5.342 0.646 11.320) 12.534 10.418 ( -2.754 -1.583 1.493) 3.510 10.526 ( -6.122 4.224 6.328) 9.766 10.709 ( -5.020 2.945 -7.085) 9.169 10.849 ( -4.992 -0.569 -11.442) 12.497 10.938 ( -3.017 3.197 3.606) 5.686 11.128 ( 0.438 0.058 -0.189) 0.480 11.265 ( 5.964 12.476 4.340) 14.493 11.367 ( 1.072 9.278 -3.590) 10.005 11.627 ( 12.994 2.524 3.128) 13.602 11.786 ( 4.602 5.113 3.784) 7.851 12.073 ( -0.912 -5.535 1.141) 5.725 12.222 ( -0.638 -1.989 -2.874) 3.554 12.496 ( -2.517 4.311 3.911) 6.342 12.659 ( 1.038 -0.289 -3.173) 3.351 12.807 ( 1.893 -4.977 -0.827) 5.388 12.916 ( -3.721 0.476 -2.569) 4.547 13.048 ( -1.007 1.431 -3.148) 3.601 13.270 ( 3.558 5.178 1.565) 6.475 13.541 ( -2.598 3.977 -0.708) 4.803 13.650 ( -1.472 5.833 0.268) 6.022 13.947 ( 1.999 7.582 -0.266) 7.845 ======================= Grid point 14 (10/140) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.031 ( 1.891 -7.086 0.119) 7.335 3.207 ( 6.745 -11.199 1.545) 13.164 3.554 ( -2.022 2.567 -2.287) 3.989 3.784 ( 3.249 -0.589 0.318) 3.317 3.846 ( 0.149 12.756 -4.356) 13.480 3.927 ( -1.335 5.820 2.708) 6.556 4.264 ( -0.061 -0.843 -0.699) 1.097 4.461 ( -8.351 -1.355 -2.599) 8.851 5.081 ( -8.299 -9.814 -4.284) 13.548 5.295 ( 11.495 0.179 7.360) 13.651 5.476 ( -5.292 -1.625 2.950) 6.273 5.633 ( 8.734 10.592 3.047) 14.063 6.183 ( -7.589 7.403 -0.574) 10.617 6.270 ( 7.420 -3.278 -2.781) 8.576 6.424 ( 0.720 -6.874 6.373) 9.401 6.576 ( 7.897 3.207 -1.557) 8.665 6.984 ( -2.666 -2.930 -4.540) 6.026 7.291 ( -7.383 1.172 -0.768) 7.515 7.565 ( 2.917 -0.807 0.280) 3.040 8.041 ( -4.384 -3.937 1.457) 6.070 8.160 ( 2.794 -6.232 -4.029) 7.929 8.479 ( 2.222 -3.933 1.410) 4.732 8.615 ( 1.374 -10.195 -5.283) 11.564 8.756 ( -2.645 0.274 4.516) 5.241 9.019 ( -1.429 -6.375 1.206) 6.643 9.156 ( 0.390 -2.844 4.754) 5.554 9.293 ( -0.452 -1.454 -3.701) 4.002 9.463 ( 2.734 3.799 -1.734) 4.991 9.789 ( 0.807 -6.588 -0.911) 6.699 9.968 ( -5.634 11.882 -1.006) 13.189 10.036 ( 4.274 -0.647 0.973) 4.431 10.194 ( 4.148 -2.079 1.928) 5.025 10.345 ( -1.627 2.905 1.236) 3.552 10.419 ( -3.553 3.221 -3.168) 5.748 10.436 ( -8.622 -1.667 10.840) 13.951 10.604 ( -7.980 -3.496 -4.575) 9.840 10.844 ( -1.232 -2.603 -10.533) 10.920 10.898 ( 0.554 -0.710 3.843) 3.947 11.100 ( 1.020 3.446 -0.229) 3.601 11.137 ( 5.839 6.035 -1.518) 8.533 11.229 ( -2.604 3.552 1.739) 4.735 11.668 ( 3.784 8.345 2.246) 9.434 11.735 ( 10.962 1.553 3.575) 11.634 12.201 ( -0.036 -5.397 2.179) 5.820 12.263 ( 0.322 -3.248 -2.280) 3.982 12.380 ( -4.094 5.557 3.848) 7.903 12.653 ( 0.611 0.203 -4.173) 4.222 12.818 ( -4.953 2.355 -3.114) 6.307 12.914 ( 3.227 -3.352 1.722) 4.962 13.035 ( -0.104 -0.630 -1.443) 1.578 13.246 ( 2.488 1.716 0.870) 3.145 13.465 ( -0.782 1.737 0.358) 1.938 13.577 ( -3.129 -1.214 -0.586) 3.407 13.836 ( 1.738 5.315 -0.161) 5.595 ======================= Grid point 15 (11/140) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.777 ( -7.486 25.683 -2.608) 26.878 2.986 ( -3.841 28.641 -0.270) 28.899 3.639 ( 1.311 -12.172 0.550) 12.254 3.879 ( 6.047 -5.908 -1.916) 8.669 3.933 ( 1.123 -9.484 9.433) 13.424 3.973 ( 4.101 -7.236 -0.495) 8.332 4.335 ( 1.726 -3.948 2.587) 5.026 4.355 ( -12.414 1.146 -6.981) 14.288 5.080 ( -5.120 27.914 -2.552) 28.494 5.286 ( 0.930 -14.701 -1.319) 14.789 5.441 ( 1.833 4.376 8.797) 9.995 5.564 ( 7.775 -5.170 -6.509) 11.382 6.053 ( -8.171 1.425 -2.077) 8.550 6.395 ( 5.951 0.828 -1.214) 6.130 6.492 ( 3.256 -0.910 1.599) 3.740 6.626 ( 7.669 1.768 4.254) 8.946 7.002 ( -3.039 -2.185 0.293) 3.754 7.214 ( -7.572 -0.924 -1.444) 7.763 7.584 ( 1.585 0.707 0.416) 1.785 8.050 ( -1.296 1.432 2.537) 3.189 8.234 ( 3.121 0.055 -2.384) 3.928 8.484 ( 3.976 6.168 1.134) 7.426 8.611 ( -1.378 11.313 1.432) 11.486 8.718 ( -2.522 1.127 -5.277) 5.956 8.993 ( -4.121 4.692 1.109) 6.342 9.150 ( 1.684 5.484 2.220) 6.151 9.342 ( 4.022 0.156 2.306) 4.639 9.479 ( 1.787 -6.878 -3.800) 8.059 9.622 ( -7.793 14.733 -0.776) 16.685 9.955 ( 4.521 -3.996 -7.135) 9.344 10.069 ( 0.946 -5.100 3.091) 6.038 10.201 ( -6.670 4.152 6.836) 10.415 10.312 ( -2.942 1.483 -4.997) 5.985 10.412 ( -0.911 -8.006 -0.239) 8.061 10.550 ( 5.139 -8.746 2.311) 10.404 10.682 ( -3.411 -10.271 0.347) 10.828 10.858 ( -3.608 -4.514 -3.689) 6.856 10.974 ( 2.654 -3.514 -0.419) 4.424 11.036 ( 3.183 3.005 -1.970) 4.801 11.132 ( 1.490 -0.953 -0.880) 1.975 11.197 ( -5.329 -3.220 2.367) 6.661 11.509 ( 2.243 10.004 0.639) 10.272 11.785 ( 6.005 4.027 2.914) 7.795 12.193 ( 1.262 4.866 -2.395) 5.569 12.277 ( -3.224 -0.262 6.280) 7.064 12.387 ( -0.579 -6.142 -0.684) 6.207 12.646 ( 1.063 0.131 -3.666) 3.819 12.776 ( -3.290 -1.429 -1.214) 3.787 13.002 ( 2.285 -2.844 2.792) 4.594 13.040 ( 0.138 -0.449 -0.220) 0.519 13.208 ( 0.472 3.654 -0.116) 3.686 13.493 ( 0.480 -4.782 -0.108) 4.807 13.633 ( -0.237 -4.441 0.039) 4.448 13.791 ( -0.183 -1.042 -0.096) 1.062 ======================= Grid point 16 (12/140) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.119 ( -6.303 34.150 -1.743) 34.771 2.312 ( -4.318 36.287 -0.945) 36.555 3.615 ( -1.595 40.599 0.824) 40.639 3.905 ( -1.492 -7.324 0.447) 7.488 4.132 ( 4.674 -11.488 1.986) 12.560 4.236 ( 1.194 -13.505 3.870) 14.099 4.311 ( -2.562 -11.627 -1.415) 11.990 4.473 ( -0.152 -8.548 1.705) 8.718 4.642 ( -5.182 5.602 -6.073) 9.753 5.422 ( 1.614 1.859 2.861) 3.774 5.561 ( 8.453 -5.697 -0.633) 10.213 5.694 ( -2.175 -4.998 -4.226) 6.897 5.998 ( -2.366 -4.832 -2.055) 5.760 6.338 ( 1.794 6.179 0.425) 6.448 6.511 ( 1.276 3.492 0.354) 3.734 6.592 ( 1.594 5.985 2.898) 6.838 7.021 ( -1.379 -1.287 1.954) 2.716 7.189 ( -3.209 -0.739 -0.923) 3.420 7.584 ( 0.563 -0.090 0.675) 0.884 7.960 ( 0.616 8.537 1.243) 8.649 8.192 ( 0.470 9.377 -0.996) 9.441 8.292 ( 3.385 15.986 1.137) 16.380 8.350 ( 4.443 12.526 1.498) 13.375 8.562 ( -10.488 6.370 -2.956) 12.621 8.892 ( 0.992 4.583 -0.416) 4.707 9.055 ( 8.367 8.731 2.210) 12.293 9.244 ( -9.061 8.452 -5.529) 13.569 9.379 ( 0.511 1.657 2.250) 2.840 9.713 ( 1.033 -11.720 0.407) 11.772 9.951 ( 5.734 6.341 -4.571) 9.695 10.146 ( -5.039 -5.355 3.800) 8.277 10.196 ( -4.477 -0.713 3.058) 5.469 10.273 ( -1.648 -5.791 -4.027) 7.244 10.552 ( 0.137 -6.443 -1.344) 6.583 10.707 ( 6.407 -0.585 -0.989) 6.509 10.871 ( 3.998 -4.721 1.855) 6.459 10.972 ( -4.781 -9.613 1.088) 10.792 11.011 ( 0.377 -3.062 -1.293) 3.345 11.120 ( 0.050 -6.184 1.922) 6.476 11.171 ( 3.047 -5.202 -4.823) 7.721 11.234 ( -6.153 -2.422 0.931) 6.678 11.400 ( 1.013 -0.557 0.856) 1.438 11.707 ( 0.081 5.446 -0.150) 5.448 12.130 ( 1.920 3.156 -1.071) 3.846 12.288 ( -1.375 -1.201 4.796) 5.132 12.487 ( -0.216 -4.731 -0.165) 4.739 12.650 ( 2.061 -0.031 -1.325) 2.451 12.761 ( -1.814 0.867 -1.096) 2.290 12.998 ( 0.613 2.443 0.808) 2.645 13.114 ( 0.461 3.154 1.179) 3.399 13.163 ( -1.154 -6.700 -0.783) 6.844 13.630 ( 0.820 -8.045 0.211) 8.090 13.684 ( 0.842 -1.692 0.054) 1.891 13.892 ( -0.738 -8.195 0.076) 8.229 ======================= Grid point 17 (13/140) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 0.000 36.601 0.000) 36.601 1.560 ( 0.000 39.576 0.000) 39.576 2.557 ( 0.000 62.018 0.000) 62.018 4.002 ( -0.000 -4.604 -0.000) 4.604 4.413 ( -0.000 -11.889 -0.000) 11.889 4.508 ( -0.000 -8.678 -0.000) 8.678 4.528 ( -0.000 -13.581 -0.000) 13.581 4.649 ( -0.000 -7.599 -0.000) 7.599 4.667 ( -0.000 -11.192 -0.000) 11.192 5.372 ( 0.000 4.925 0.000) 4.925 5.606 ( 0.000 2.801 0.000) 2.801 5.690 ( 0.000 1.471 0.000) 1.471 6.195 ( -0.000 -12.525 -0.000) 12.525 6.217 ( 0.000 6.917 0.000) 6.917 6.402 ( 0.000 6.981 0.000) 6.981 6.510 ( 0.000 2.186 0.000) 2.186 7.018 ( 0.000 1.803 0.000) 1.803 7.150 ( 0.000 3.440 0.000) 3.440 7.612 ( -0.000 -1.842 -0.000) 1.842 7.758 ( 0.000 12.152 0.000) 12.152 7.829 ( 0.000 19.436 0.000) 19.436 8.129 ( 0.000 11.251 0.000) 11.251 8.175 ( 0.000 6.244 0.000) 6.244 8.379 ( 0.000 5.879 0.000) 5.879 8.781 ( 0.000 7.729 0.000) 7.729 8.980 ( 0.000 3.705 0.000) 3.705 9.077 ( 0.000 2.473 0.000) 2.473 9.395 ( -0.000 -1.075 -0.000) 1.075 9.757 ( 0.000 6.120 0.000) 6.120 9.997 ( -0.000 -8.162 -0.000) 8.162 10.158 ( 0.000 0.384 0.000) 0.384 10.258 ( -0.000 -6.586 -0.000) 6.586 10.387 ( -0.000 -5.482 -0.000) 5.482 10.586 ( 0.000 1.977 0.000) 1.977 10.787 ( -0.000 -5.280 -0.000) 5.280 10.896 ( 0.000 1.317 0.000) 1.317 10.954 ( 0.000 6.044 0.000) 6.044 11.115 ( -0.000 -3.809 -0.000) 3.809 11.190 ( 0.000 0.464 0.000) 0.464 11.284 ( -0.000 -11.996 -0.000) 11.996 11.423 ( -0.000 -13.585 -0.000) 13.585 11.516 ( -0.000 -7.643 -0.000) 7.643 11.626 ( 0.000 2.659 0.000) 2.659 12.085 ( 0.000 2.128 0.000) 2.128 12.318 ( -0.000 -1.594 -0.000) 1.594 12.558 ( -0.000 -2.220 -0.000) 2.220 12.671 ( -0.000 -0.686 -0.000) 0.686 12.709 ( 0.000 2.780 0.000) 2.780 12.961 ( 0.000 1.686 0.000) 1.686 13.024 ( 0.000 4.415 0.000) 4.415 13.294 ( -0.000 -5.387 -0.000) 5.387 13.744 ( -0.000 -4.574 -0.000) 4.574 13.790 ( -0.000 -7.370 -0.000) 7.370 14.037 ( -0.000 -6.768 -0.000) 6.768 ======================= Grid point 20 (14/140) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 35.821 -0.000 10.889) 37.440 1.486 ( 37.777 -0.000 9.395) 38.928 2.329 ( 54.925 -0.000 18.609) 57.991 4.092 ( 0.375 -0.000 -6.339) 6.350 4.407 ( -13.933 0.000 -7.074) 15.626 4.517 ( -16.288 0.000 -6.893) 17.686 4.546 ( 5.026 -0.000 -21.168) 21.756 4.936 ( -4.154 0.000 4.464) 6.098 4.938 ( -2.950 0.000 16.247) 16.513 5.284 ( 3.224 -0.000 2.590) 4.135 5.356 ( -10.084 0.000 7.549) 12.596 5.543 ( 0.451 -0.000 12.379) 12.387 6.061 ( 2.261 -0.000 -7.034) 7.389 6.134 ( -5.120 0.000 -1.031) 5.223 6.449 ( -1.457 0.000 -2.144) 2.592 6.742 ( 11.295 -0.000 -1.894) 11.453 6.968 ( 2.055 -0.000 -8.171) 8.425 7.149 ( 6.133 -0.000 1.703) 6.365 7.378 ( -0.248 0.000 -8.281) 8.284 7.487 ( -2.023 0.000 10.246) 10.444 7.556 ( -4.571 0.000 -5.703) 7.309 7.702 ( -7.286 0.000 1.523) 7.443 7.758 ( -7.835 0.000 -7.486) 10.836 8.588 ( 4.606 -0.000 0.597) 4.645 8.633 ( 3.099 -0.000 3.729) 4.849 8.758 ( -2.708 0.000 1.952) 3.338 9.154 ( -5.016 0.000 -1.684) 5.291 9.494 ( 11.898 -0.000 8.087) 14.386 9.708 ( 2.677 -0.000 2.953) 3.986 9.859 ( -12.893 0.000 -0.675) 12.911 10.153 ( 2.679 -0.000 -7.391) 7.862 10.366 ( -13.434 0.000 6.052) 14.735 10.520 ( 1.451 -0.000 -6.065) 6.236 10.584 ( 1.913 -0.000 1.890) 2.689 10.810 ( -0.105 0.000 6.101) 6.102 10.816 ( -6.991 0.000 7.520) 10.268 10.932 ( -6.493 0.000 6.820) 9.417 11.029 ( -2.335 0.000 -11.422) 11.658 11.098 ( -2.414 0.000 -4.215) 4.857 11.475 ( -0.542 0.000 -1.440) 1.539 11.745 ( 5.069 -0.000 4.209) 6.589 11.767 ( 3.576 -0.000 -1.969) 4.082 11.835 ( 4.884 -0.000 11.256) 12.270 12.058 ( 1.044 -0.000 -2.594) 2.797 12.320 ( 4.801 -0.000 0.612) 4.840 12.508 ( 5.016 -0.000 0.372) 5.030 12.615 ( -2.859 0.000 -0.324) 2.877 12.673 ( 1.201 -0.000 -4.231) 4.398 12.900 ( -0.600 0.000 -3.100) 3.158 13.123 ( 0.378 -0.000 -2.892) 2.916 13.564 ( -1.565 0.000 -1.604) 2.241 13.804 ( 0.391 -0.000 0.971) 1.047 13.932 ( -0.351 0.000 -0.974) 1.035 14.247 ( 3.188 -0.000 0.113) 3.190 ======================= Grid point 21 (15/140) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 32.075 -12.595 9.402) 35.719 1.954 ( 31.767 -12.673 8.523) 35.248 2.992 ( 38.064 -16.082 12.274) 43.106 4.063 ( 0.007 1.915 -7.744) 7.977 4.204 ( -14.631 4.488 -3.616) 15.725 4.298 ( -9.424 4.201 -8.493) 13.364 4.496 ( 1.463 3.918 -15.540) 16.093 4.897 ( -6.979 0.979 3.159) 7.723 4.962 ( 0.205 -0.665 9.609) 9.634 5.221 ( 3.404 9.735 2.113) 10.527 5.331 ( -10.507 -4.454 11.215) 16.000 5.687 ( 1.191 -7.629 12.052) 14.314 6.027 ( -5.076 4.476 0.132) 6.769 6.162 ( 1.554 -8.393 -4.968) 9.877 6.369 ( -1.793 4.734 -4.559) 6.813 6.771 ( 11.315 5.040 -3.422) 12.851 6.959 ( -2.255 -0.822 -8.790) 9.112 7.267 ( 5.684 -5.458 2.863) 8.384 7.459 ( -1.554 -3.003 -6.913) 7.696 7.512 ( -1.444 -5.408 1.301) 5.747 7.581 ( -1.817 -8.552 -3.973) 9.603 7.678 ( -4.376 -8.624 4.289) 10.579 7.825 ( -4.646 -10.480 -3.964) 12.130 8.590 ( -13.675 -2.252 3.436) 14.278 8.647 ( 6.838 -0.791 -0.443) 6.898 8.853 ( 11.745 -3.421 0.778) 12.258 9.140 ( -4.070 -2.129 -0.704) 4.647 9.585 ( -0.262 -0.811 2.082) 2.250 9.756 ( 0.969 -1.485 3.534) 3.954 9.766 ( -1.246 0.817 4.746) 4.975 10.206 ( 2.970 -4.457 -7.616) 9.311 10.278 ( -11.632 -0.869 3.013) 12.047 10.486 ( 0.895 3.107 -1.813) 3.706 10.556 ( -4.298 3.767 7.572) 9.486 10.741 ( -8.455 4.128 10.312) 13.960 10.778 ( -0.499 2.782 -5.778) 6.432 10.876 ( -4.109 1.089 -0.066) 4.252 10.998 ( -2.915 -0.813 -3.741) 4.811 11.091 ( -0.046 -1.371 -3.669) 3.917 11.517 ( 0.020 -3.890 0.838) 3.979 11.735 ( 4.615 6.520 2.108) 8.261 11.760 ( 5.881 4.063 1.207) 7.250 11.881 ( 5.535 3.210 6.506) 9.126 12.038 ( 0.355 1.448 0.413) 1.547 12.293 ( 2.281 4.682 -0.569) 5.239 12.563 ( 1.758 -0.842 1.397) 2.398 12.615 ( -1.811 -1.736 1.069) 2.727 12.675 ( 2.587 -0.577 -6.257) 6.795 12.888 ( -0.859 -0.260 -2.625) 2.774 13.103 ( -0.325 1.047 -3.515) 3.682 13.499 ( 0.700 4.663 -0.530) 4.745 13.764 ( 0.187 4.888 1.047) 5.003 13.885 ( -0.579 4.051 -0.992) 4.211 14.220 ( 2.572 5.238 0.023) 5.835 ======================= Grid point 22 (16/140) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.418 ( 25.244 -16.924 6.716) 31.126 2.502 ( 22.884 -16.905 6.987) 29.297 3.411 ( 1.278 -7.093 -2.112) 7.511 3.912 ( -8.227 5.235 -8.816) 13.146 4.053 ( -9.338 2.582 -2.748) 10.071 4.289 ( 10.576 -2.760 -0.461) 10.940 4.389 ( 4.741 5.274 -5.346) 8.881 4.799 ( 0.238 9.589 2.090) 9.817 4.888 ( -6.259 5.494 -2.655) 8.741 5.170 ( 4.331 -2.793 4.655) 6.945 5.369 ( -10.180 -4.732 12.958) 17.144 5.753 ( 0.242 3.930 5.309) 6.610 6.041 ( -0.224 -8.751 10.307) 13.523 6.260 ( 1.928 3.040 -7.153) 8.008 6.334 ( -1.293 -8.359 -4.216) 9.451 6.746 ( 8.709 6.128 -1.446) 10.747 6.912 ( -2.433 0.187 -10.064) 10.356 7.363 ( -4.237 2.399 -1.739) 5.171 7.445 ( 2.029 -5.602 1.574) 6.162 7.682 ( -0.254 -11.999 -2.258) 12.213 7.826 ( -2.494 -9.248 -0.044) 9.579 7.898 ( 0.201 -19.489 -1.395) 19.540 8.051 ( -1.409 -16.578 -2.058) 16.765 8.567 ( -10.784 -6.396 3.055) 12.905 8.756 ( 8.701 -3.285 -0.254) 9.304 9.034 ( 9.263 -4.483 2.231) 10.530 9.147 ( -2.799 -2.561 -1.495) 4.078 9.541 ( -9.781 -1.175 -0.019) 9.851 9.753 ( 1.358 1.588 1.521) 2.585 9.861 ( 5.140 -2.995 4.133) 7.244 10.215 ( -5.940 0.293 1.516) 6.137 10.301 ( 2.100 -3.985 -6.516) 7.922 10.402 ( -0.836 5.744 -0.424) 5.820 10.442 ( -6.829 3.644 11.538) 13.894 10.600 ( -7.188 5.878 9.710) 13.436 10.694 ( -3.086 2.424 -8.411) 9.281 10.789 ( -5.557 2.466 -6.062) 8.585 10.979 ( -0.164 1.078 -1.398) 1.772 11.115 ( 0.333 -1.233 -0.517) 1.378 11.538 ( 2.047 7.054 8.624) 11.327 11.606 ( 5.584 12.313 -4.516) 14.255 11.737 ( 5.777 -0.308 -2.011) 6.125 11.897 ( 5.751 0.648 4.903) 7.585 12.027 ( 0.271 0.867 2.495) 2.655 12.227 ( 1.806 3.190 0.247) 3.674 12.532 ( -4.800 1.978 2.902) 5.948 12.653 ( 1.568 -0.566 -3.186) 3.596 12.725 ( 3.223 -4.285 -2.671) 5.991 12.877 ( -2.217 -0.374 -2.663) 3.485 13.057 ( -1.505 1.731 -3.591) 4.261 13.415 ( 2.296 5.429 0.574) 5.922 13.639 ( -0.312 7.750 0.438) 7.768 13.770 ( -1.061 6.797 -0.371) 6.889 14.109 ( 1.700 7.709 -0.142) 7.895 ======================= Grid point 23 (17/140) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.872 ( 10.374 -11.102 2.623) 15.419 3.004 ( 13.629 -16.464 4.223) 21.786 3.518 ( 0.724 -9.014 -3.869) 9.836 3.767 ( -5.323 0.671 -5.039) 7.360 3.891 ( -11.229 3.614 -2.776) 12.119 4.268 ( 3.614 9.805 -1.961) 10.633 4.286 ( 1.452 13.605 0.783) 13.705 4.541 ( 2.579 12.365 0.643) 12.647 4.846 ( -8.316 -5.440 -2.853) 10.339 5.320 ( 4.632 -6.682 -1.861) 8.341 5.423 ( -3.894 -3.443 13.550) 14.512 5.770 ( 6.456 -0.393 5.372) 8.408 6.226 ( 0.661 -5.953 1.085) 6.087 6.284 ( 3.894 -2.625 2.987) 5.566 6.374 ( -0.072 2.706 -4.831) 5.537 6.692 ( 6.337 4.047 2.790) 8.020 6.882 ( -2.125 -2.132 -9.346) 9.819 7.250 ( -8.575 2.492 -1.175) 9.006 7.552 ( 1.390 -3.035 0.678) 3.406 7.885 ( -1.248 -9.209 -0.750) 9.323 7.993 ( -0.038 -10.323 -2.383) 10.595 8.268 ( -0.065 -17.912 -0.853) 17.933 8.373 ( 1.096 -16.179 -1.537) 16.289 8.656 ( -4.561 -7.765 2.974) 9.484 8.899 ( 5.065 -4.790 0.437) 6.985 9.140 ( 1.808 -1.621 4.752) 5.337 9.213 ( -0.226 -4.630 -3.420) 5.760 9.512 ( -2.363 -1.577 -0.525) 2.889 9.723 ( -0.447 0.879 -0.352) 1.047 9.965 ( 0.649 -4.202 -1.418) 4.483 10.158 ( 1.067 4.824 4.965) 7.005 10.253 ( 1.105 4.525 -3.744) 5.976 10.330 ( -7.160 1.776 6.973) 10.151 10.415 ( -0.021 -1.426 -2.137) 2.569 10.468 ( -5.013 4.890 8.752) 11.209 10.548 ( -8.203 5.935 -2.667) 10.470 10.722 ( -2.115 -2.730 -9.898) 10.483 10.946 ( 1.016 2.118 0.760) 2.469 11.127 ( -0.377 0.183 0.122) 0.437 11.362 ( 3.507 13.661 -8.329) 16.379 11.390 ( 2.082 10.816 8.942) 14.187 11.836 ( 8.770 -1.353 0.583) 8.893 11.894 ( 4.435 6.978 3.621) 9.026 12.081 ( 1.133 -6.403 0.667) 6.537 12.219 ( 0.864 -0.512 2.514) 2.707 12.441 ( -5.802 3.654 2.170) 7.192 12.652 ( 1.200 0.274 -3.928) 4.116 12.820 ( -4.179 2.544 -4.336) 6.537 12.853 ( 2.935 -5.715 0.274) 6.431 13.015 ( -1.330 0.053 -1.756) 2.203 13.339 ( 3.295 4.847 1.144) 5.971 13.502 ( -1.635 4.636 -0.454) 4.937 13.622 ( -1.676 6.921 0.110) 7.122 13.975 ( 1.284 7.372 -0.177) 7.485 ======================= Grid point 24 (18/140) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.028 ( -0.753 1.376 -0.620) 1.687 3.306 ( 3.115 -1.312 1.029) 3.533 3.521 ( -0.590 6.002 -0.769) 6.080 3.824 ( 0.054 -3.626 -2.558) 4.438 3.891 ( 6.279 -10.782 0.752) 12.499 3.905 ( -1.854 11.950 1.763) 12.221 4.200 ( -6.419 0.185 -2.211) 6.791 4.385 ( 0.728 5.892 0.923) 6.008 4.943 ( -4.371 -12.427 -1.909) 13.311 5.408 ( -2.900 -2.980 1.167) 4.319 5.544 ( 11.280 0.465 4.530) 12.164 5.701 ( -2.043 14.219 -0.645) 14.380 6.063 ( -4.774 10.957 -0.289) 11.955 6.403 ( 5.860 -5.503 -0.733) 8.072 6.469 ( 2.926 -4.640 1.298) 5.637 6.734 ( 5.427 0.015 4.627) 7.132 6.902 ( -1.004 -3.578 -5.537) 6.668 7.136 ( -8.347 0.596 -0.640) 8.392 7.594 ( 0.439 -0.755 -0.047) 0.874 8.012 ( -0.472 -4.866 1.401) 5.086 8.164 ( 0.364 -7.273 -2.638) 7.745 8.516 ( 0.700 -6.897 1.119) 7.022 8.617 ( 1.452 -6.982 -3.079) 7.768 8.742 ( -0.823 -1.462 1.480) 2.237 8.993 ( -1.917 -1.656 1.286) 2.841 9.204 ( 1.552 -2.413 5.294) 6.021 9.255 ( -1.185 -3.307 -3.880) 5.234 9.497 ( 1.697 3.401 -1.745) 4.182 9.801 ( 1.126 -9.201 -0.457) 9.280 9.885 ( -2.646 11.933 -0.485) 12.233 10.103 ( 2.842 5.257 -0.738) 6.021 10.260 ( -6.570 3.504 -0.729) 7.482 10.278 ( 2.869 -5.335 0.808) 6.112 10.341 ( -1.150 0.536 3.176) 3.420 10.395 ( -3.646 -0.431 3.643) 5.172 10.485 ( -2.533 -5.338 -1.902) 6.207 10.770 ( -0.862 -4.077 -5.496) 6.897 10.947 ( 1.003 -1.464 3.429) 3.861 11.104 ( -0.023 1.874 -0.301) 1.898 11.150 ( 1.135 7.235 -7.866) 10.747 11.250 ( 0.252 6.794 5.997) 9.066 11.738 ( 2.452 10.816 0.978) 11.133 11.935 ( 7.581 1.875 2.268) 8.132 12.214 ( 0.323 -3.632 1.625) 3.993 12.259 ( 0.109 -4.063 -0.524) 4.098 12.307 ( -5.026 4.899 1.134) 7.110 12.650 ( 1.580 0.139 -2.676) 3.111 12.727 ( -3.403 0.928 -1.607) 3.876 12.974 ( 2.118 -2.878 2.650) 4.448 13.016 ( -0.887 -2.154 -2.462) 3.389 13.292 ( 1.741 3.812 0.488) 4.219 13.468 ( 1.091 -0.360 0.771) 1.384 13.514 ( -3.302 -0.941 -0.933) 3.558 13.858 ( 0.719 5.561 -0.094) 5.608 ======================= Grid point 25 (19/140) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 0.000 27.862 0.000) 27.862 2.952 ( 0.000 31.076 0.000) 31.076 3.651 ( -0.000 -14.928 -0.000) 14.928 3.923 ( -0.000 -11.383 -0.000) 11.383 3.995 ( -0.000 -5.301 -0.000) 5.301 4.090 ( -0.000 -4.417 -0.000) 4.417 4.122 ( -0.000 -0.362 -0.000) 0.362 4.362 ( -0.000 -2.765 -0.000) 2.765 5.008 ( 0.000 26.928 0.000) 26.928 5.300 ( -0.000 -9.223 -0.000) 9.223 5.466 ( -0.000 -3.253 -0.000) 3.253 5.671 ( -0.000 -0.689 -0.000) 0.689 5.938 ( 0.000 0.993 0.000) 0.993 6.441 ( 0.000 2.855 0.000) 2.855 6.550 ( -0.000 -0.988 -0.000) 0.988 6.724 ( 0.000 5.096 0.000) 5.096 6.963 ( -0.000 -3.874 -0.000) 3.874 7.126 ( -0.000 -3.048 -0.000) 3.048 7.596 ( 0.000 0.589 0.000) 0.589 8.055 ( 0.000 0.977 0.000) 0.977 8.246 ( -0.000 -1.374 -0.000) 1.374 8.567 ( 0.000 1.597 0.000) 1.597 8.590 ( 0.000 9.214 0.000) 9.214 8.649 ( 0.000 11.382 0.000) 11.382 8.954 ( 0.000 2.859 0.000) 2.859 9.180 ( 0.000 3.159 0.000) 3.159 9.428 ( 0.000 3.536 0.000) 3.536 9.449 ( -0.000 -12.487 -0.000) 12.487 9.541 ( 0.000 19.033 0.000) 19.033 9.994 ( -0.000 -7.551 -0.000) 7.551 10.110 ( -0.000 -6.221 -0.000) 6.221 10.112 ( 0.000 6.497 0.000) 6.497 10.254 ( 0.000 5.635 0.000) 5.635 10.401 ( -0.000 -7.373 -0.000) 7.373 10.645 ( -0.000 -17.941 -0.000) 17.941 10.651 ( -0.000 -13.125 -0.000) 13.125 10.777 ( 0.000 1.577 0.000) 1.577 11.031 ( 0.000 3.649 0.000) 3.649 11.052 ( -0.000 -6.821 -0.000) 6.821 11.098 ( -0.000 -0.803 -0.000) 0.803 11.178 ( 0.000 1.436 0.000) 1.436 11.540 ( 0.000 10.567 0.000) 10.567 11.856 ( 0.000 8.657 0.000) 8.657 12.206 ( 0.000 3.843 0.000) 3.843 12.250 ( -0.000 -2.135 -0.000) 2.135 12.379 ( -0.000 -6.311 -0.000) 6.311 12.655 ( -0.000 -0.081 -0.000) 0.081 12.733 ( -0.000 -2.188 -0.000) 2.188 13.030 ( -0.000 -4.206 -0.000) 4.206 13.041 ( 0.000 0.760 0.000) 0.760 13.214 ( 0.000 4.838 0.000) 4.838 13.497 ( -0.000 -4.801 -0.000) 4.801 13.627 ( -0.000 -7.085 -0.000) 7.085 13.792 ( 0.000 0.381 0.000) 0.381 ======================= Grid point 30 (20/140) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 32.174 -0.000 10.001) 33.693 2.146 ( 32.498 -0.000 8.320) 33.546 3.257 ( 40.751 -0.000 13.644) 42.974 4.067 ( 0.432 -0.000 -5.143) 5.161 4.086 ( -18.077 0.000 -6.884) 19.343 4.151 ( -20.494 0.000 -8.012) 22.004 4.531 ( 6.150 -0.000 -18.068) 19.086 4.879 ( -4.615 0.000 3.397) 5.731 4.926 ( -7.524 0.000 11.563) 13.796 5.244 ( -5.776 0.000 6.858) 8.966 5.389 ( 5.445 -0.000 3.167) 6.299 5.654 ( 3.942 -0.000 11.918) 12.553 6.046 ( 0.331 -0.000 -6.235) 6.244 6.063 ( -2.620 0.000 1.265) 2.909 6.393 ( -3.440 0.000 -1.882) 3.921 6.858 ( -8.694 0.000 -9.263) 12.703 6.943 ( 13.699 -0.000 -4.889) 14.545 7.253 ( 2.460 -0.000 4.618) 5.232 7.348 ( 1.880 -0.000 -7.997) 8.215 7.498 ( -2.780 0.000 6.547) 7.112 7.499 ( 2.106 -0.000 -3.846) 4.385 7.609 ( -4.151 0.000 0.168) 4.154 7.612 ( -4.403 0.000 -3.969) 5.927 8.434 ( -17.024 0.000 2.184) 17.163 8.727 ( 11.574 -0.000 -1.633) 11.689 8.914 ( 9.995 -0.000 1.173) 10.064 9.084 ( -2.866 0.000 -1.252) 3.127 9.514 ( -13.077 0.000 0.732) 13.097 9.769 ( 1.886 -0.000 3.750) 4.197 9.811 ( 4.748 -0.000 7.363) 8.761 10.174 ( 5.673 -0.000 -8.556) 10.265 10.182 ( -8.693 0.000 2.518) 9.050 10.520 ( 1.283 -0.000 -3.175) 3.425 10.553 ( -9.631 0.000 8.850) 13.080 10.737 ( -7.360 0.000 9.052) 11.667 10.810 ( 0.676 -0.000 -3.194) 3.265 10.885 ( -3.211 0.000 4.820) 5.792 10.935 ( -0.840 0.000 -11.626) 11.656 11.058 ( -0.457 0.000 -0.999) 1.098 11.463 ( -0.532 0.000 -0.146) 0.551 11.822 ( 5.377 -0.000 -6.785) 8.657 11.854 ( 2.055 -0.000 8.844) 9.079 11.986 ( 5.675 -0.000 9.680) 11.221 12.076 ( 2.029 -0.000 0.711) 2.150 12.345 ( -2.031 0.000 0.053) 2.031 12.575 ( -1.035 0.000 -1.165) 1.558 12.591 ( 4.094 -0.000 0.051) 4.094 12.676 ( 2.063 -0.000 -4.827) 5.250 12.876 ( -0.329 0.000 -2.100) 2.126 13.097 ( -1.101 0.000 -3.718) 3.878 13.540 ( -0.356 0.000 -1.063) 1.121 13.822 ( 0.819 -0.000 1.615) 1.811 13.916 ( -0.659 0.000 -1.395) 1.543 14.297 ( 2.413 -0.000 0.022) 2.413 ======================= Grid point 31 (21/140) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 28.006 -9.641 8.454) 30.802 2.502 ( 25.358 -7.675 6.929) 27.385 3.432 ( 3.587 9.124 1.142) 9.870 3.876 ( -14.663 3.242 -7.766) 16.907 4.025 ( -4.667 2.215 -4.431) 6.806 4.198 ( 5.117 -15.938 3.223) 17.046 4.497 ( 6.598 3.647 -12.871) 14.916 4.781 ( -7.272 2.424 3.049) 8.249 4.997 ( -0.774 -4.903 4.870) 6.954 5.193 ( -6.267 3.986 3.957) 8.416 5.346 ( 3.626 6.388 4.701) 8.721 5.787 ( 2.733 -4.186 10.017) 11.195 5.993 ( 0.470 1.552 2.706) 3.154 6.141 ( -1.062 -7.812 -3.723) 8.719 6.314 ( -1.411 3.518 -3.755) 5.335 6.758 ( -8.808 -1.251 -8.073) 12.013 6.998 ( 11.390 4.143 -3.953) 12.749 7.332 ( -0.752 -6.054 3.160) 6.870 7.392 ( -1.374 3.818 -5.306) 6.680 7.490 ( -3.178 -9.001 3.679) 10.230 7.595 ( 6.910 -9.488 -6.147) 13.250 7.644 ( -3.213 -8.087 4.643) 9.863 7.747 ( -2.097 -11.914 -3.142) 12.498 8.352 ( -12.869 -5.368 1.833) 14.063 8.823 ( 12.829 0.282 -1.853) 12.965 9.032 ( 6.691 -3.765 1.960) 7.924 9.078 ( -1.679 -1.688 -2.050) 3.142 9.407 ( -14.447 -1.729 1.995) 14.686 9.785 ( 0.850 0.758 2.347) 2.609 9.869 ( 1.895 -0.975 2.997) 3.677 10.160 ( -2.450 -1.889 3.362) 4.569 10.238 ( 6.494 -3.102 -8.806) 11.372 10.464 ( -11.327 2.168 10.667) 15.709 10.489 ( 0.810 3.364 -2.182) 4.091 10.653 ( -7.206 4.369 7.993) 11.614 10.746 ( 1.106 5.292 -6.309) 8.309 10.807 ( -2.969 3.838 -2.451) 5.436 10.959 ( -0.004 -2.498 -1.888) 3.131 11.083 ( 0.212 -2.134 -0.656) 2.242 11.518 ( -0.387 -5.759 0.836) 5.832 11.808 ( 4.403 5.909 -2.895) 7.917 11.854 ( 1.893 2.480 4.450) 5.435 11.983 ( 3.102 6.141 0.064) 6.880 12.088 ( 3.642 1.289 7.707) 8.621 12.300 ( -1.698 1.962 -0.505) 2.644 12.539 ( -1.711 2.206 -0.323) 2.810 12.642 ( 1.868 -1.403 -0.629) 2.420 12.693 ( 2.781 -1.544 -3.346) 4.616 12.861 ( -0.714 0.654 -1.729) 1.981 13.064 ( -1.554 1.230 -3.262) 3.817 13.506 ( 0.537 2.931 -0.365) 3.002 13.783 ( 0.933 5.408 1.457) 5.678 13.866 ( -0.854 4.056 -1.158) 4.304 14.257 ( 1.534 5.706 -0.018) 5.909 ======================= Grid point 32 (22/140) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 16.617 -8.018 4.025) 18.884 2.879 ( 19.146 -10.116 6.652) 22.653 3.250 ( -15.133 -5.320 -5.352) 16.910 3.711 ( -7.934 0.907 -4.963) 9.403 3.896 ( -4.999 5.644 -1.705) 7.730 4.417 ( 5.706 5.135 -4.980) 9.150 4.525 ( 6.057 -0.129 4.386) 7.480 4.717 ( -5.500 -1.236 -0.729) 5.685 4.884 ( 2.294 17.760 -0.423) 17.912 5.184 ( -2.595 -7.625 1.501) 8.193 5.319 ( -1.924 -3.728 4.534) 6.177 5.851 ( 4.155 1.192 5.974) 7.374 6.093 ( 0.919 -7.165 4.016) 8.265 6.240 ( 0.027 -5.031 -3.194) 5.959 6.310 ( 0.273 -4.515 -2.257) 5.055 6.723 ( -5.003 -2.791 -4.453) 7.256 6.956 ( 7.385 7.765 -1.263) 10.791 7.259 ( -4.682 5.167 -1.418) 7.116 7.463 ( -1.059 -6.722 1.137) 6.900 7.693 ( 1.356 -10.770 -0.220) 10.858 7.788 ( -1.321 -9.439 -0.303) 9.536 7.903 ( 1.256 -18.167 -1.563) 18.277 8.021 ( -0.992 -18.283 -0.722) 18.324 8.442 ( -4.529 -10.500 1.468) 11.529 8.917 ( 8.203 -0.399 -0.692) 8.242 9.105 ( 0.373 -3.104 -2.039) 3.732 9.144 ( 0.114 -2.672 2.802) 3.874 9.386 ( -6.249 -5.917 0.631) 8.629 9.763 ( -0.062 2.298 0.370) 2.329 9.899 ( -1.028 -1.972 -0.129) 2.227 10.209 ( 2.068 -1.532 2.607) 3.663 10.309 ( 2.466 0.540 -5.877) 6.396 10.374 ( -3.216 1.155 4.767) 5.865 10.401 ( -1.608 4.435 1.878) 5.078 10.520 ( -6.073 4.593 4.061) 8.629 10.633 ( -0.115 6.359 -0.170) 6.362 10.691 ( -2.045 3.481 -5.550) 6.863 10.979 ( 0.383 0.433 -0.635) 0.859 11.116 ( 0.028 -1.088 -0.054) 1.090 11.604 ( 0.652 4.862 5.048) 7.038 11.658 ( 2.676 11.887 -3.205) 12.599 11.778 ( 0.984 -0.589 -1.120) 1.603 11.981 ( 2.016 -3.779 -1.262) 4.465 12.080 ( 2.575 5.467 4.932) 7.800 12.262 ( 0.538 0.999 1.618) 1.976 12.463 ( -2.792 3.563 -0.275) 4.536 12.658 ( 0.672 -0.034 -1.374) 1.530 12.774 ( 2.378 -4.601 -0.409) 5.195 12.824 ( -1.619 1.790 -2.093) 3.194 13.013 ( -1.334 1.543 -1.589) 2.585 13.446 ( 0.913 3.883 0.167) 3.992 13.645 ( 0.319 9.410 0.423) 9.425 13.750 ( -0.735 6.845 -0.266) 6.889 14.130 ( 0.663 7.877 -0.052) 7.905 ======================= Grid point 33 (23/140) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.972 ( -0.000 -1.988 -0.000) 1.988 3.158 ( -0.000 -11.659 -0.000) 11.659 3.541 ( -0.000 -22.723 -0.000) 22.723 3.705 ( -0.000 -4.285 -0.000) 4.285 3.724 ( 0.000 9.673 0.000) 9.673 4.292 ( 0.000 8.503 0.000) 8.503 4.314 ( 0.000 22.017 0.000) 22.017 4.576 ( 0.000 13.365 0.000) 13.365 4.748 ( -0.000 -5.617 -0.000) 5.617 5.309 ( -0.000 -5.794 -0.000) 5.794 5.480 ( -0.000 -9.475 -0.000) 9.475 5.835 ( 0.000 3.490 0.000) 3.490 6.270 ( -0.000 -9.862 -0.000) 9.862 6.313 ( 0.000 7.689 0.000) 7.689 6.376 ( -0.000 -6.973 -0.000) 6.973 6.719 ( -0.000 -0.394 -0.000) 0.394 6.881 ( 0.000 1.313 0.000) 1.313 7.136 ( 0.000 4.138 0.000) 4.138 7.557 ( -0.000 -3.420 -0.000) 3.420 7.883 ( -0.000 -8.374 -0.000) 8.374 7.982 ( -0.000 -10.708 -0.000) 10.708 8.264 ( -0.000 -17.944 -0.000) 17.944 8.376 ( -0.000 -17.655 -0.000) 17.655 8.625 ( -0.000 -9.079 -0.000) 9.079 8.961 ( -0.000 -1.119 -0.000) 1.119 9.171 ( -0.000 -1.282 -0.000) 1.282 9.186 ( -0.000 -4.280 -0.000) 4.280 9.495 ( -0.000 -5.588 -0.000) 5.588 9.715 ( 0.000 1.268 0.000) 1.268 9.943 ( -0.000 -2.519 -0.000) 2.519 10.241 ( 0.000 2.940 0.000) 2.940 10.248 ( -0.000 -0.963 -0.000) 0.963 10.260 ( 0.000 7.753 0.000) 7.753 10.416 ( 0.000 5.032 0.000) 5.032 10.418 ( -0.000 -1.836 -0.000) 1.836 10.482 ( 0.000 7.722 0.000) 7.722 10.672 ( -0.000 -3.162 -0.000) 3.162 10.959 ( 0.000 1.243 0.000) 1.243 11.123 ( 0.000 0.344 0.000) 0.344 11.365 ( 0.000 14.594 0.000) 14.594 11.441 ( 0.000 11.371 0.000) 11.371 11.910 ( -0.000 -7.001 -0.000) 7.001 11.948 ( 0.000 9.421 0.000) 9.421 12.098 ( -0.000 -6.924 -0.000) 6.924 12.265 ( 0.000 0.728 0.000) 0.728 12.365 ( 0.000 4.423 0.000) 4.423 12.658 ( 0.000 0.121 0.000) 0.121 12.757 ( 0.000 3.532 0.000) 3.532 12.889 ( -0.000 -6.108 -0.000) 6.108 12.991 ( -0.000 -0.086 -0.000) 0.086 13.377 ( 0.000 3.905 0.000) 3.905 13.483 ( 0.000 5.571 0.000) 5.571 13.605 ( 0.000 7.492 0.000) 7.492 13.986 ( 0.000 7.310 0.000) 7.310 ======================= Grid point 41 (24/140) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 18.105 -0.000 5.715) 18.986 2.642 ( 17.566 -0.000 4.653) 18.172 3.761 ( -13.031 0.000 -3.153) 13.407 3.779 ( -14.453 0.000 -4.750) 15.213 3.812 ( 15.937 -0.000 4.172) 16.474 4.055 ( 0.456 -0.000 -2.381) 2.424 4.543 ( 3.458 -0.000 -8.219) 8.917 4.832 ( -1.978 0.000 1.304) 2.369 4.855 ( -4.889 0.000 5.712) 7.519 5.214 ( -1.202 0.000 1.879) 2.231 5.490 ( 3.302 -0.000 1.894) 3.806 5.788 ( 3.862 -0.000 7.393) 8.341 5.999 ( -1.600 0.000 -5.016) 5.265 6.072 ( 1.610 -0.000 2.906) 3.322 6.331 ( -2.039 0.000 -0.753) 2.173 6.631 ( -8.931 0.000 -6.234) 10.891 7.126 ( 9.537 -0.000 -5.086) 10.809 7.268 ( -2.798 0.000 4.433) 5.242 7.337 ( 0.565 -0.000 -3.154) 3.204 7.469 ( -1.724 0.000 0.416) 1.774 7.537 ( -2.260 0.000 5.009) 5.495 7.570 ( -0.548 0.000 0.582) 0.800 7.585 ( 4.969 -0.000 -6.191) 7.939 8.195 ( -9.488 0.000 1.029) 9.544 8.951 ( 15.109 -0.000 -3.215) 15.447 9.013 ( -0.506 0.000 1.433) 1.520 9.068 ( 2.912 -0.000 -1.618) 3.331 9.259 ( -16.103 0.000 3.337) 16.445 9.808 ( 0.771 -0.000 1.596) 1.773 9.871 ( -0.424 0.000 1.094) 1.173 10.140 ( 0.457 -0.000 2.329) 2.373 10.256 ( 9.607 -0.000 -8.906) 13.100 10.400 ( -12.698 0.000 9.734) 16.000 10.525 ( 0.938 -0.000 -1.876) 2.098 10.678 ( -3.800 0.000 4.943) 6.235 10.797 ( -0.220 0.000 -2.126) 2.137 10.875 ( -0.216 0.000 -5.331) 5.335 10.878 ( -0.161 0.000 1.455) 1.464 11.055 ( 0.047 -0.000 0.021) 0.052 11.454 ( -0.362 0.000 0.069) 0.368 11.859 ( 2.934 -0.000 -5.692) 6.404 11.905 ( -0.679 0.000 6.020) 6.058 12.121 ( 1.380 -0.000 1.644) 2.146 12.136 ( 5.850 -0.000 7.313) 9.365 12.268 ( -5.059 0.000 -3.843) 6.353 12.567 ( 0.406 -0.000 -0.693) 0.803 12.638 ( 1.264 -0.000 -0.105) 1.269 12.685 ( 1.079 -0.000 -1.874) 2.163 12.865 ( -0.063 0.000 -0.668) 0.671 13.057 ( -1.021 0.000 -1.968) 2.217 13.535 ( 0.104 -0.000 -0.332) 0.348 13.847 ( 0.789 -0.000 1.386) 1.595 13.895 ( -0.689 0.000 -1.239) 1.418 14.326 ( 0.875 -0.000 -0.008) 0.875 ======================= Grid point 42 (25/140) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -0.000 -12.942 -0.000) 12.942 2.785 ( -0.000 -5.675 -0.000) 5.675 3.339 ( 0.000 20.111 0.000) 20.111 3.681 ( 0.000 1.250 0.000) 1.250 3.977 ( 0.000 3.951 0.000) 3.951 4.306 ( -0.000 -20.801 -0.000) 20.801 4.529 ( 0.000 1.803 0.000) 1.803 4.718 ( 0.000 3.896 0.000) 3.896 5.002 ( -0.000 -9.306 -0.000) 9.306 5.147 ( 0.000 7.544 0.000) 7.544 5.395 ( 0.000 9.098 0.000) 9.098 5.857 ( -0.000 -2.920 -0.000) 2.920 6.022 ( -0.000 -2.930 -0.000) 2.930 6.117 ( -0.000 -4.136 -0.000) 4.136 6.288 ( 0.000 1.753 0.000) 1.753 6.619 ( -0.000 -3.540 -0.000) 3.540 7.113 ( 0.000 4.562 0.000) 4.562 7.322 ( -0.000 -5.997 -0.000) 5.997 7.355 ( 0.000 6.501 0.000) 6.501 7.471 ( -0.000 -11.788 -0.000) 11.788 7.624 ( -0.000 -7.096 -0.000) 7.096 7.667 ( -0.000 -7.368 -0.000) 7.368 7.712 ( -0.000 -12.494 -0.000) 12.494 8.233 ( -0.000 -7.874 -0.000) 7.874 8.976 ( 0.000 1.717 0.000) 1.717 9.075 ( -0.000 -0.376 -0.000) 0.376 9.088 ( -0.000 -3.193 -0.000) 3.193 9.232 ( -0.000 -5.651 -0.000) 5.651 9.800 ( 0.000 1.373 0.000) 1.373 9.873 ( -0.000 -0.468 -0.000) 0.468 10.175 ( -0.000 -2.579 -0.000) 2.579 10.327 ( -0.000 -1.570 -0.000) 1.570 10.333 ( 0.000 0.120 0.000) 0.120 10.490 ( 0.000 3.716 0.000) 3.716 10.608 ( 0.000 5.519 0.000) 5.519 10.749 ( 0.000 4.394 0.000) 4.394 10.760 ( 0.000 5.717 0.000) 5.717 10.957 ( -0.000 -2.898 -0.000) 2.898 11.084 ( -0.000 -2.184 -0.000) 2.184 11.516 ( -0.000 -6.432 -0.000) 6.432 11.843 ( 0.000 6.885 0.000) 6.885 11.876 ( -0.000 -0.141 -0.000) 0.141 12.006 ( 0.000 8.473 0.000) 8.473 12.191 ( 0.000 2.971 0.000) 2.971 12.241 ( -0.000 -2.126 -0.000) 2.126 12.527 ( 0.000 3.515 0.000) 3.515 12.653 ( -0.000 -0.510 -0.000) 0.510 12.713 ( -0.000 -2.727 -0.000) 2.727 12.849 ( 0.000 1.453 0.000) 1.453 13.036 ( 0.000 1.375 0.000) 1.375 13.511 ( 0.000 2.463 0.000) 2.463 13.799 ( 0.000 5.636 0.000) 5.636 13.851 ( 0.000 3.930 0.000) 3.930 14.270 ( 0.000 5.846 0.000) 5.846 ======================= Grid point 85 (26/140) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -4.318 0.000 40.547) 40.776 0.903 ( -3.317 0.000 41.582) 41.715 1.505 ( -0.245 0.000 67.945) 67.945 3.867 ( 2.561 -0.000 -21.474) 21.627 4.139 ( 1.635 -0.000 -28.480) 28.527 4.801 ( -6.915 0.000 8.949) 11.310 4.880 ( -5.353 0.000 0.128) 5.355 5.102 ( 0.755 -0.000 10.934) 10.960 5.253 ( 2.563 -0.000 13.441) 13.683 5.283 ( -8.772 0.000 16.350) 18.554 5.520 ( 8.769 -0.000 -2.154) 9.029 5.535 ( 9.511 -0.000 2.481) 9.829 5.846 ( -3.246 0.000 -16.696) 17.009 6.253 ( -0.447 0.000 -1.542) 1.605 6.380 ( 1.100 -0.000 -5.350) 5.462 6.494 ( 1.488 -0.000 -6.422) 6.592 6.828 ( -5.892 0.000 -3.690) 6.952 7.062 ( -0.378 0.000 2.861) 2.886 7.288 ( 3.150 -0.000 -8.293) 8.871 7.540 ( 1.035 -0.000 -16.060) 16.094 7.669 ( -2.015 0.000 9.451) 9.663 7.934 ( -2.719 0.000 1.160) 2.956 8.044 ( -3.808 0.000 1.775) 4.202 8.195 ( 6.064 -0.000 -0.353) 6.074 8.629 ( -4.520 0.000 1.344) 4.716 8.928 ( 3.954 -0.000 6.182) 7.338 9.158 ( 10.584 -0.000 8.950) 13.861 9.360 ( 0.880 -0.000 -5.492) 5.562 9.546 ( -2.403 0.000 -2.864) 3.738 10.149 ( -2.668 0.000 2.654) 3.763 10.150 ( -11.301 0.000 -1.792) 11.442 10.413 ( 4.708 -0.000 -3.385) 5.799 10.584 ( -3.697 0.000 5.858) 6.927 10.713 ( -1.131 0.000 0.063) 1.133 10.722 ( 8.070 -0.000 -0.081) 8.070 10.781 ( 6.005 -0.000 -8.732) 10.598 10.996 ( 2.932 -0.000 1.490) 3.289 11.189 ( -4.133 0.000 -0.931) 4.236 11.323 ( 8.885 -0.000 -0.713) 8.914 11.357 ( -5.411 0.000 10.348) 11.677 11.605 ( 1.969 -0.000 -1.540) 2.500 11.689 ( 0.029 -0.000 -2.772) 2.773 11.735 ( -0.594 0.000 8.507) 8.528 12.106 ( -3.783 0.000 4.127) 5.598 12.288 ( -11.274 0.000 -10.098) 15.135 12.485 ( -5.259 0.000 -0.529) 5.285 12.694 ( 0.242 -0.000 0.468) 0.527 12.695 ( 5.428 -0.000 -1.345) 5.593 13.035 ( -9.599 0.000 6.697) 11.705 13.126 ( -2.393 0.000 1.020) 2.602 13.246 ( 17.527 -0.000 4.230) 18.030 13.782 ( 0.707 -0.000 -1.458) 1.620 13.937 ( -0.335 0.000 -0.321) 0.464 14.135 ( 1.114 -0.000 -3.282) 3.465 ======================= Grid point 86 (27/140) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 11.034 -22.713 28.734) 38.253 1.249 ( 8.961 -20.101 32.463) 39.220 2.212 ( 12.045 -37.985 49.607) 63.630 3.804 ( 3.869 2.120 -21.546) 21.993 4.074 ( 0.093 0.474 -26.131) 26.136 4.682 ( -10.206 6.912 7.740) 14.555 4.757 ( -8.660 6.709 1.028) 11.003 4.993 ( 1.514 11.582 10.077) 15.427 5.196 ( -1.087 8.519 16.691) 18.771 5.275 ( -3.532 0.620 2.041) 4.127 5.649 ( 5.639 -6.699 3.047) 9.272 5.677 ( 6.004 -4.370 4.516) 8.691 5.899 ( 1.141 -8.996 -15.946) 18.344 6.254 ( -6.959 -1.916 -1.786) 7.435 6.347 ( 2.953 2.206 -2.309) 4.350 6.430 ( 0.133 3.674 -6.189) 7.198 6.830 ( -0.466 -2.702 -8.371) 8.809 7.121 ( 1.990 -4.457 2.852) 5.653 7.401 ( 1.786 -11.383 -7.874) 13.956 7.510 ( -0.897 -1.589 -12.684) 12.814 7.721 ( -1.896 -5.395 8.191) 9.989 7.906 ( -5.119 -3.477 0.428) 6.203 8.038 ( -8.574 -4.373 0.709) 9.651 8.337 ( 13.231 -4.318 -0.848) 13.943 8.632 ( -4.410 -3.841 2.626) 6.411 9.018 ( 1.032 -2.889 6.130) 6.855 9.281 ( 9.178 -0.445 6.875) 11.476 9.334 ( -3.755 -0.987 -1.127) 4.042 9.573 ( 4.784 -3.086 -5.661) 8.029 10.008 ( -10.926 2.343 -3.165) 11.614 10.151 ( -2.380 -1.288 1.850) 3.278 10.399 ( 2.365 3.787 -3.067) 5.416 10.569 ( -0.977 1.223 5.840) 6.046 10.714 ( -1.618 -0.927 4.223) 4.617 10.764 ( 0.812 1.747 -8.446) 8.663 10.812 ( 4.830 -0.849 -3.540) 6.048 11.004 ( 3.781 0.913 6.927) 7.945 11.110 ( -5.641 3.727 0.345) 6.770 11.274 ( -6.108 4.024 3.104) 7.946 11.403 ( 5.347 -0.151 1.225) 5.488 11.573 ( 4.553 6.860 0.214) 8.237 11.645 ( 0.444 3.571 -1.449) 3.879 11.805 ( 2.136 -2.779 6.737) 7.594 12.043 ( -0.513 2.261 1.221) 2.620 12.262 ( -8.706 -3.281 -6.247) 11.206 12.462 ( 0.738 0.449 3.768) 3.866 12.626 ( 0.052 3.328 -1.901) 3.833 12.743 ( 0.594 -1.094 -1.548) 1.987 12.972 ( -2.343 1.094 5.790) 6.342 13.109 ( -3.386 -0.304 3.108) 4.606 13.343 ( 9.596 3.547 -0.421) 10.240 13.770 ( 0.465 2.445 -2.030) 3.211 13.889 ( -0.466 4.377 -0.831) 4.480 14.099 ( 1.787 3.872 -3.638) 5.605 ======================= Grid point 87 (28/140) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 12.089 -26.325 22.847) 36.894 1.943 ( 13.614 -30.098 17.936) 37.588 3.160 ( 8.158 -34.725 24.591) 43.326 3.755 ( 4.380 0.766 -17.621) 18.174 4.007 ( -0.191 -3.888 -15.197) 15.688 4.432 ( -10.354 11.351 7.669) 17.172 4.525 ( -8.224 8.970 2.357) 12.396 4.784 ( 2.760 15.650 7.807) 17.705 5.086 ( 4.142 7.663 13.132) 15.758 5.193 ( -7.708 2.003 -3.575) 8.730 5.740 ( 2.962 4.072 1.271) 5.194 5.845 ( 2.368 -6.283 7.744) 10.250 6.016 ( 3.271 0.040 -11.974) 12.413 6.168 ( -4.278 -3.434 -3.010) 6.257 6.363 ( -6.766 -5.018 -2.844) 8.891 6.440 ( 4.349 -2.411 -0.485) 4.997 6.825 ( 0.078 -0.847 -11.527) 11.558 7.261 ( 4.142 -5.522 4.228) 8.095 7.515 ( -1.499 -2.355 -5.679) 6.328 7.639 ( 0.345 -13.141 -7.867) 15.319 7.910 ( -1.728 -14.577 4.497) 15.352 8.029 ( -1.701 -11.386 -0.747) 11.537 8.069 ( -6.033 -5.704 0.333) 8.309 8.556 ( 13.422 -6.722 -2.219) 15.174 8.723 ( -4.279 -8.743 3.861) 10.471 9.040 ( -7.640 -0.814 7.002) 10.395 9.285 ( -4.047 -1.480 -0.729) 4.371 9.447 ( 11.962 -1.653 6.505) 13.716 9.674 ( 4.298 -3.185 -6.164) 8.162 9.874 ( -7.076 1.646 -2.036) 7.545 10.166 ( 0.163 -0.590 0.197) 0.644 10.307 ( 0.053 5.363 -1.608) 5.599 10.542 ( 0.262 3.674 5.618) 6.718 10.671 ( -0.448 3.521 -9.003) 9.678 10.701 ( -3.488 2.702 -1.158) 4.561 10.836 ( -1.558 -0.481 3.098) 3.500 10.956 ( -5.650 6.209 3.434) 9.070 11.034 ( 2.488 3.356 -0.574) 4.216 11.197 ( -3.916 -1.911 3.195) 5.403 11.375 ( 2.522 9.055 -4.791) 10.550 11.485 ( 6.327 4.583 8.052) 11.219 11.548 ( 1.627 7.437 2.835) 8.124 11.876 ( 1.908 0.127 10.142) 10.321 12.048 ( 1.955 -1.254 -0.313) 2.344 12.173 ( -5.900 2.375 -2.620) 6.879 12.478 ( 5.176 1.759 -3.246) 6.358 12.608 ( -1.687 -2.719 -1.204) 3.419 12.748 ( -2.213 -1.172 -3.249) 4.102 12.983 ( 0.244 -0.896 4.905) 4.993 13.082 ( -4.721 0.353 -0.745) 4.792 13.321 ( 4.244 4.525 2.276) 6.608 13.684 ( -1.030 5.183 -0.587) 5.317 13.776 ( 0.005 6.269 -1.295) 6.401 14.001 ( 2.277 6.779 -3.923) 8.157 ======================= Grid point 88 (29/140) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.541 ( 11.059 -26.148 15.556) 32.373 2.661 ( 10.201 -28.754 14.441) 33.755 3.544 ( -3.863 -5.466 -6.171) 9.104 3.733 ( 2.114 0.488 -11.874) 12.070 4.146 ( -5.980 10.406 4.456) 12.803 4.305 ( -4.953 -1.687 2.839) 5.953 4.333 ( 0.583 -5.306 13.744) 14.744 4.503 ( 1.147 12.026 6.590) 13.761 5.067 ( -7.430 1.333 -7.866) 10.902 5.101 ( 8.158 -1.067 9.063) 12.241 5.612 ( 2.815 9.304 1.024) 9.774 5.766 ( -2.516 10.278 -0.452) 10.591 6.087 ( 3.657 -5.374 3.133) 7.216 6.290 ( 0.067 -6.251 -8.126) 10.252 6.425 ( -0.579 5.307 -6.884) 8.711 6.434 ( -4.580 -6.956 3.463) 9.020 6.873 ( 0.440 -6.695 -5.340) 8.575 7.392 ( 3.915 -1.950 6.935) 8.199 7.536 ( -2.568 -2.896 -0.405) 3.891 7.849 ( 2.053 -9.899 -7.683) 12.698 8.091 ( -7.000 -7.080 -1.918) 10.139 8.245 ( 1.670 -10.137 -2.946) 10.688 8.276 ( 0.429 -16.846 1.771) 16.944 8.783 ( 9.907 -6.140 -4.516) 12.500 8.904 ( -3.529 -11.787 3.543) 12.804 9.019 ( -6.246 -3.134 7.067) 9.939 9.284 ( -3.135 -1.145 2.386) 4.102 9.587 ( 8.912 -1.292 2.567) 9.364 9.640 ( -2.985 3.739 -1.301) 4.958 9.893 ( -0.577 -6.355 -3.646) 7.349 10.124 ( 1.741 5.582 -2.441) 6.337 10.235 ( 0.227 3.578 2.013) 4.111 10.466 ( -0.738 3.643 2.299) 4.371 10.528 ( -0.707 8.445 -11.513) 14.296 10.611 ( 0.685 4.353 -2.417) 5.026 10.745 ( -5.075 6.467 1.796) 8.414 10.839 ( -6.641 2.890 6.218) 9.546 10.976 ( 1.852 2.264 -6.163) 6.822 11.174 ( 0.769 8.365 -2.654) 8.810 11.225 ( -5.108 0.561 4.411) 6.773 11.452 ( 0.460 1.404 7.660) 7.801 11.523 ( 8.845 2.795 9.887) 13.557 11.850 ( -0.223 6.973 8.597) 11.072 12.075 ( -0.549 -3.135 -2.482) 4.036 12.173 ( 1.606 -3.545 -0.487) 3.922 12.463 ( 5.809 3.474 -2.904) 7.365 12.659 ( -1.530 -2.853 0.377) 3.259 12.751 ( -1.892 -3.225 -4.991) 6.237 12.977 ( -5.373 4.091 -1.611) 6.943 13.026 ( 0.606 -0.302 0.400) 0.786 13.280 ( 0.994 2.629 5.271) 5.973 13.580 ( -2.060 4.013 -0.130) 4.512 13.664 ( -0.310 4.430 -0.510) 4.470 13.874 ( 2.664 7.153 -3.260) 8.300 ======================= Grid point 89 (30/140) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 3.156 -14.256 9.142) 17.227 3.264 ( 4.055 -21.607 14.107) 26.121 3.542 ( -2.669 -0.899 -3.380) 4.400 3.696 ( 0.144 2.584 -5.359) 5.951 3.915 ( -3.030 11.155 5.867) 12.963 4.066 ( -2.936 8.499 8.502) 12.375 4.305 ( -2.493 0.140 4.649) 5.277 4.594 ( -5.561 -2.364 3.569) 7.018 5.013 ( 0.327 -2.776 -10.579) 10.942 5.255 ( 1.544 -4.638 1.169) 5.026 5.469 ( 3.461 12.818 0.300) 13.281 5.661 ( 5.578 0.984 7.095) 9.079 6.172 ( 1.759 -0.917 -0.336) 2.012 6.221 ( -6.615 6.916 -9.753) 13.664 6.332 ( 5.559 0.698 -4.135) 6.963 6.564 ( -2.446 -6.667 6.627) 9.713 6.999 ( -1.176 -6.594 -0.861) 6.753 7.427 ( -1.833 0.687 6.697) 6.978 7.579 ( -0.544 -1.826 3.600) 4.073 7.993 ( 4.991 -4.280 -7.560) 10.019 8.153 ( -6.044 -5.428 -1.238) 8.217 8.380 ( 2.095 -2.728 -4.504) 5.668 8.546 ( 0.064 -9.498 -1.615) 9.635 8.861 ( 0.091 1.642 -1.129) 1.995 9.061 ( 1.335 -3.574 2.195) 4.402 9.140 ( 1.629 -6.255 2.739) 7.020 9.293 ( -1.704 -2.561 3.207) 4.444 9.511 ( -4.352 4.085 2.940) 6.654 9.718 ( 2.325 -5.463 -3.152) 6.722 9.989 ( -1.965 -1.187 -3.057) 3.823 10.035 ( 3.037 7.099 -3.210) 8.362 10.127 ( 2.230 1.022 4.900) 5.480 10.302 ( -1.189 8.582 -11.024) 14.021 10.430 ( 0.624 3.790 -1.313) 4.059 10.512 ( 3.667 5.591 -3.490) 7.543 10.634 ( -1.663 0.445 -1.533) 2.305 10.766 ( -3.532 -0.458 -0.883) 3.669 10.942 ( -1.896 0.101 -1.430) 2.377 11.074 ( -0.092 1.584 -1.610) 2.261 11.163 ( -4.075 1.916 6.820) 8.172 11.483 ( -5.745 -1.383 16.012) 17.067 11.618 ( 9.765 -1.770 5.267) 11.235 11.707 ( -1.433 7.960 4.051) 9.045 12.152 ( 1.592 -4.585 -5.665) 7.460 12.240 ( 1.161 -0.655 1.670) 2.137 12.429 ( 4.394 4.458 1.329) 6.399 12.664 ( -4.968 -1.129 -0.044) 5.095 12.824 ( -1.405 -2.385 -5.135) 5.833 12.847 ( 1.074 0.052 -1.847) 2.137 13.042 ( -0.486 -0.723 1.090) 1.395 13.268 ( -0.392 0.883 4.258) 4.366 13.495 ( -0.977 2.962 0.992) 3.273 13.616 ( -1.540 -0.078 -0.016) 1.542 13.779 ( 1.896 3.414 -2.310) 4.538 ======================= Grid point 90 (31/140) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -11.414 19.959 3.870) 23.316 3.196 ( -9.415 27.107 8.506) 29.930 3.654 ( 0.915 -10.575 3.933) 11.320 3.813 ( 2.118 -15.761 2.967) 16.177 3.947 ( 3.045 -8.430 5.339) 10.433 4.109 ( -0.955 -8.481 10.531) 13.555 4.358 ( 0.037 -4.372 3.396) 5.536 4.512 ( -11.296 2.025 -0.060) 11.477 5.099 ( 10.395 -1.657 -6.980) 12.630 5.161 ( -3.150 19.756 -2.090) 20.115 5.374 ( 9.098 -2.328 0.772) 9.423 5.559 ( -8.641 2.800 3.046) 9.581 5.991 ( -1.988 9.041 -15.866) 18.369 6.333 ( 7.504 -8.346 1.646) 11.344 6.373 ( 5.359 0.452 1.759) 5.658 6.643 ( -1.715 -0.921 5.906) 6.218 7.079 ( -3.519 -3.763 0.309) 5.161 7.396 ( -7.300 0.028 5.342) 9.045 7.599 ( 1.171 1.073 4.062) 4.362 8.053 ( 4.956 1.249 -5.016) 7.162 8.161 ( -2.782 0.365 -0.533) 2.856 8.355 ( 2.682 5.630 -5.815) 8.526 8.591 ( -0.439 5.814 -2.292) 6.264 8.748 ( -1.360 6.831 0.186) 6.968 9.055 ( 1.643 4.997 1.674) 5.520 9.141 ( 1.736 7.481 1.816) 7.892 9.391 ( -4.405 3.343 3.289) 6.434 9.460 ( 0.187 -10.404 2.518) 10.706 9.739 ( -4.240 12.856 0.887) 13.566 9.784 ( 0.718 0.803 -7.545) 7.621 10.092 ( 1.190 -8.113 -0.128) 8.201 10.168 ( 1.967 0.769 -9.900) 10.122 10.302 ( 3.576 -1.952 1.117) 4.225 10.343 ( 9.541 0.204 -4.130) 10.399 10.481 ( -1.743 -1.479 -1.863) 2.949 10.697 ( -0.220 -7.380 -2.709) 7.865 10.804 ( 0.283 -5.852 -1.828) 6.137 10.920 ( -0.661 -0.257 -1.418) 1.586 11.094 ( 1.359 -0.075 0.822) 1.590 11.137 ( -5.487 -3.101 5.376) 8.284 11.486 ( -6.572 0.152 12.486) 14.111 11.566 ( -5.061 4.421 7.485) 10.059 11.747 ( 5.376 -2.346 4.297) 7.271 12.147 ( -0.241 5.981 -2.486) 6.481 12.263 ( 2.027 -3.371 -6.116) 7.272 12.417 ( 3.861 0.723 5.386) 6.666 12.638 ( -5.451 -1.179 -1.126) 5.690 12.800 ( -2.278 -1.304 -1.982) 3.289 12.955 ( 4.715 -2.903 -1.329) 5.694 13.064 ( -1.330 -2.761 1.666) 3.488 13.249 ( -0.972 1.538 3.850) 4.258 13.489 ( 0.280 -2.873 0.585) 2.945 13.621 ( 1.072 -0.232 -0.186) 1.113 13.781 ( -1.171 -4.052 -2.127) 4.724 ======================= Grid point 91 (32/140) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -15.958 28.670 6.932) 33.536 2.522 ( -12.514 33.991 6.934) 36.879 3.795 ( -2.890 13.661 9.680) 16.991 3.938 ( -5.799 1.115 -0.142) 5.907 4.157 ( 3.526 -9.914 8.203) 13.342 4.318 ( -3.723 -10.363 1.804) 11.158 4.409 ( -3.173 -7.144 4.091) 8.823 4.503 ( -4.610 -6.954 4.249) 9.363 4.733 ( -6.289 6.018 3.647) 9.437 5.226 ( 11.532 -1.931 -12.009) 16.760 5.411 ( 10.148 4.057 4.258) 11.729 5.683 ( -0.359 -4.441 -1.942) 4.860 5.800 ( 5.009 -1.082 -13.205) 14.165 6.370 ( 0.008 1.970 2.445) 3.140 6.504 ( 3.929 -1.569 -1.236) 4.407 6.600 ( -0.436 5.210 4.494) 6.894 7.082 ( -6.271 -1.155 -0.797) 6.426 7.334 ( -7.410 1.340 4.365) 8.704 7.593 ( 1.414 1.066 0.769) 1.931 7.949 ( 0.495 10.962 -2.821) 11.330 8.130 ( 3.825 3.457 0.792) 5.216 8.198 ( 3.564 11.131 -5.574) 12.949 8.304 ( -1.653 18.362 -0.418) 18.441 8.644 ( -3.906 3.874 -3.123) 6.326 8.949 ( 3.425 12.815 3.315) 13.673 8.978 ( 1.188 4.659 5.755) 7.499 9.297 ( -3.809 3.310 -0.340) 5.057 9.461 ( -4.615 7.697 -0.021) 8.974 9.711 ( 0.698 -1.442 -2.907) 3.319 9.741 ( 5.011 -4.906 0.211) 7.016 10.149 ( 2.262 -0.889 -7.608) 7.987 10.268 ( -0.013 -5.448 -3.073) 6.254 10.339 ( 1.648 -4.902 -0.333) 5.183 10.493 ( 12.463 -0.379 1.392) 12.546 10.522 ( -0.069 -5.104 -0.841) 5.173 10.829 ( 2.735 -4.313 -7.028) 8.688 10.930 ( -2.232 -4.284 5.913) 7.635 11.027 ( -1.034 -13.327 -4.527) 14.113 11.092 ( 1.703 -0.981 3.242) 3.791 11.167 ( -2.524 -0.933 -0.693) 2.778 11.438 ( -2.961 1.026 3.961) 5.050 11.537 ( -10.721 -4.521 12.599) 17.150 11.795 ( -1.304 1.024 7.568) 7.747 12.042 ( 1.464 2.941 -3.259) 4.628 12.319 ( 2.525 -1.997 -7.181) 7.870 12.479 ( 1.709 -2.341 6.423) 7.047 12.615 ( -2.620 -0.679 -2.197) 3.486 12.783 ( -1.545 1.377 0.066) 2.071 12.985 ( 1.297 1.197 -1.182) 2.124 13.151 ( 0.089 -4.977 1.015) 5.080 13.225 ( -3.216 0.157 4.854) 5.825 13.602 ( 1.985 -6.498 -0.128) 6.796 13.647 ( 0.672 -2.887 -1.530) 3.336 13.883 ( -0.927 -7.496 -2.828) 8.065 ======================= Grid point 92 (33/140) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -16.581 29.811 13.318) 36.619 1.764 ( -14.035 35.006 10.595) 39.175 3.006 ( -20.908 47.944 26.770) 58.757 3.907 ( -2.162 -0.033 -12.452) 12.638 4.318 ( -2.951 -0.576 -17.864) 18.116 4.472 ( 3.865 -13.915 10.481) 17.844 4.651 ( 1.262 -12.927 6.666) 14.599 4.687 ( -4.498 -12.789 5.365) 14.580 4.846 ( -2.240 -11.195 13.774) 17.890 5.308 ( 7.246 -0.793 -6.028) 9.459 5.446 ( 11.431 3.821 2.003) 12.218 5.558 ( 7.496 8.018 -10.094) 14.912 6.055 ( 4.419 -11.195 -2.411) 12.275 6.292 ( -3.278 5.591 -0.425) 6.495 6.442 ( -4.048 3.782 -0.090) 5.541 6.528 ( 1.766 4.398 -0.338) 4.752 7.022 ( -7.136 0.467 -3.216) 7.841 7.237 ( -4.537 4.561 2.845) 7.034 7.593 ( 1.582 0.308 -4.910) 5.168 7.674 ( 0.406 15.452 -3.957) 15.956 7.923 ( -2.713 15.624 4.648) 16.525 8.020 ( 6.605 10.017 -2.638) 12.285 8.113 ( 2.879 4.412 1.462) 5.467 8.481 ( -9.395 5.383 -4.074) 11.569 8.781 ( 4.220 8.638 4.895) 10.788 8.959 ( 6.021 3.831 6.824) 9.874 9.152 ( -8.427 3.674 -2.334) 9.485 9.371 ( 3.938 3.368 0.289) 5.190 9.639 ( 0.963 2.799 -6.158) 6.832 9.968 ( 5.459 -7.911 4.843) 10.763 10.169 ( -1.071 -1.140 -2.841) 3.243 10.319 ( -0.181 -3.640 -4.136) 5.513 10.470 ( 2.737 -5.356 0.628) 6.047 10.585 ( 8.542 0.436 2.364) 8.873 10.642 ( 4.444 -4.233 -2.338) 6.568 10.846 ( -3.427 -0.870 -3.921) 5.280 10.943 ( -0.524 3.930 5.977) 7.173 11.129 ( -0.959 -3.571 1.005) 3.832 11.203 ( 1.341 -6.311 -5.599) 8.542 11.294 ( 2.185 -7.015 2.673) 7.819 11.436 ( -5.586 -5.391 1.257) 7.864 11.595 ( -5.585 -5.434 4.014) 8.766 11.769 ( -2.051 1.825 10.045) 10.414 12.034 ( -0.096 -1.309 -0.557) 1.426 12.356 ( 2.717 -2.053 -3.619) 4.969 12.546 ( -5.972 -4.531 -0.271) 7.501 12.613 ( 6.080 2.086 2.168) 6.783 12.727 ( -3.399 2.052 -0.380) 3.988 12.962 ( -0.030 0.862 -0.524) 1.009 13.169 ( -3.240 1.677 7.897) 8.699 13.255 ( -2.057 -3.534 -3.772) 5.563 13.700 ( 1.339 -4.124 -1.345) 4.539 13.775 ( 0.587 -7.679 -1.360) 7.821 14.007 ( -0.012 -6.463 -3.558) 7.377 ======================= Grid point 93 (34/140) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -11.342 24.519 26.234) 37.656 1.110 ( -14.514 23.592 27.933) 39.338 1.995 ( -21.297 45.463 46.470) 68.410 3.876 ( 1.197 -2.185 -19.078) 19.240 4.230 ( -0.852 1.318 -24.826) 24.876 4.740 ( -1.667 -7.899 10.700) 13.404 4.852 ( -2.980 -6.879 1.211) 7.594 4.918 ( 0.099 -11.714 8.537) 14.495 5.097 ( 0.022 -9.531 19.463) 21.672 5.323 ( -2.498 0.745 1.696) 3.110 5.475 ( 13.548 3.616 -3.548) 14.464 5.506 ( 11.550 5.418 -0.958) 12.794 6.033 ( -6.976 7.870 -8.939) 13.802 6.260 ( 5.273 0.525 -0.791) 5.357 6.375 ( -4.006 -1.575 -3.765) 5.719 6.479 ( -0.213 -0.388 -3.775) 3.801 6.930 ( -6.883 1.930 -3.778) 8.086 7.114 ( -2.771 4.645 2.173) 5.829 7.394 ( 2.920 11.437 -5.418) 12.988 7.580 ( 1.108 0.751 -12.048) 12.122 7.701 ( -1.774 6.723 9.499) 11.772 7.946 ( 1.446 1.921 1.485) 2.826 8.058 ( 5.899 4.945 2.142) 7.990 8.289 ( -9.066 4.713 -3.161) 10.696 8.694 ( -0.941 4.113 2.608) 4.960 8.935 ( 4.398 4.593 4.043) 7.536 9.082 ( 2.164 0.894 4.853) 5.388 9.358 ( 6.191 2.051 -4.132) 7.721 9.591 ( -2.865 0.661 -2.728) 4.011 10.138 ( 1.899 -4.027 3.144) 5.451 10.164 ( -1.311 -0.722 1.423) 2.065 10.375 ( 0.491 -2.706 -4.886) 5.607 10.575 ( -1.431 -3.353 3.106) 4.789 10.643 ( 5.909 0.287 2.219) 6.318 10.719 ( 7.005 -1.029 -6.015) 9.290 10.803 ( -1.885 2.787 -4.909) 5.951 10.911 ( 0.607 -1.474 8.850) 8.993 11.195 ( -2.949 -3.626 0.203) 4.678 11.280 ( 6.055 0.084 -6.163) 8.641 11.352 ( -3.741 -1.169 8.597) 9.448 11.552 ( -0.785 -6.175 -3.451) 7.117 11.656 ( -0.779 -3.511 -0.807) 3.686 11.750 ( -0.559 2.125 8.605) 8.881 12.072 ( -3.584 -3.749 2.936) 5.960 12.420 ( 1.745 0.220 -1.115) 2.082 12.538 ( -5.751 -1.679 -6.554) 8.879 12.617 ( -3.011 -0.820 0.025) 3.121 12.688 ( 2.599 0.239 1.571) 3.046 12.978 ( -0.486 -3.544 2.649) 4.451 13.131 ( -4.665 1.206 11.170) 12.165 13.246 ( 0.003 2.029 -6.109) 6.437 13.772 ( 0.965 -2.069 -2.605) 3.464 13.895 ( 0.184 -4.551 -0.679) 4.605 14.098 ( 0.657 -3.726 -3.462) 5.129 ======================= Grid point 95 (35/140) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 21.050 -0.000 32.602) 38.807 1.272 ( 17.702 -0.000 34.514) 38.789 2.182 ( 29.964 -0.000 55.147) 62.761 3.793 ( 3.844 -0.000 -23.166) 23.483 4.031 ( 5.068 -0.000 -28.238) 28.690 4.666 ( -13.395 0.000 5.900) 14.637 4.726 ( -12.870 0.000 -0.055) 12.871 5.147 ( -2.882 0.000 10.905) 11.280 5.243 ( -5.300 0.000 12.679) 13.742 5.371 ( 1.077 -0.000 15.952) 15.988 5.590 ( -1.505 0.000 3.412) 3.729 5.599 ( 0.224 -0.000 -5.879) 5.883 5.822 ( 8.196 -0.000 -9.939) 12.882 6.174 ( -5.550 0.000 -3.844) 6.751 6.389 ( 1.375 -0.000 -3.444) 3.708 6.496 ( 5.716 -0.000 -9.087) 10.736 6.776 ( 2.470 -0.000 -7.193) 7.605 7.111 ( 3.898 -0.000 3.592) 5.301 7.264 ( -0.040 0.000 -8.611) 8.611 7.440 ( -1.431 0.000 -16.192) 16.255 7.674 ( -2.411 0.000 8.338) 8.680 7.835 ( -7.941 0.000 -1.116) 8.019 7.901 ( -9.467 0.000 4.043) 10.294 8.416 ( 14.809 -0.000 -1.014) 14.844 8.589 ( -1.191 0.000 2.174) 2.479 9.005 ( -3.025 0.000 8.490) 9.013 9.220 ( -8.704 0.000 -3.319) 9.315 9.424 ( 12.164 -0.000 8.890) 15.066 9.576 ( 6.785 -0.000 -6.187) 9.182 9.929 ( -8.331 0.000 -4.708) 9.569 10.102 ( -4.143 0.000 0.892) 4.238 10.419 ( -2.941 0.000 -6.025) 6.704 10.591 ( 0.069 -0.000 5.630) 5.631 10.680 ( -4.865 0.000 4.724) 6.781 10.747 ( -2.048 0.000 -12.430) 12.598 10.844 ( 5.588 -0.000 -0.700) 5.632 11.052 ( 1.703 -0.000 3.691) 4.065 11.102 ( -5.361 0.000 2.632) 5.972 11.261 ( -10.694 0.000 6.769) 12.656 11.445 ( 4.515 -0.000 -0.803) 4.586 11.668 ( 0.500 -0.000 -5.016) 5.041 11.706 ( 7.899 -0.000 5.407) 9.572 11.820 ( 6.186 -0.000 4.782) 7.818 12.081 ( -1.806 0.000 4.484) 4.834 12.179 ( 4.435 -0.000 -5.370) 6.964 12.478 ( 1.251 -0.000 2.387) 2.695 12.675 ( -2.780 0.000 0.712) 2.870 12.710 ( -0.999 0.000 -3.266) 3.415 12.965 ( -5.477 0.000 9.744) 11.178 13.093 ( -1.405 0.000 -1.486) 2.045 13.485 ( 8.033 -0.000 -2.016) 8.282 13.792 ( 1.366 -0.000 -1.162) 1.794 13.923 ( -0.926 0.000 -0.769) 1.203 14.145 ( 2.816 -0.000 -4.014) 4.903 ======================= Grid point 96 (36/140) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 19.834 -14.621 28.265) 37.498 1.711 ( 24.551 -16.794 24.164) 38.323 2.825 ( 25.484 -21.633 38.520) 51.002 3.762 ( 5.428 0.327 -21.877) 22.542 3.966 ( 5.235 2.694 -24.062) 24.772 4.500 ( -15.486 5.434 6.297) 17.579 4.569 ( -13.193 3.703 0.407) 13.709 5.053 ( -1.538 8.216 8.093) 11.635 5.188 ( -6.123 4.052 8.093) 10.927 5.303 ( 1.327 8.947 10.761) 14.057 5.667 ( -7.717 -8.985 8.005) 14.296 5.744 ( 2.935 -9.753 -1.046) 10.239 5.907 ( 6.419 -3.875 -12.418) 14.506 6.126 ( -4.507 -1.598 -2.116) 5.229 6.307 ( -2.832 6.299 -5.342) 8.732 6.505 ( 10.070 1.728 -4.642) 11.222 6.793 ( 1.408 -0.226 -10.706) 10.801 7.213 ( 6.511 -4.786 3.265) 8.715 7.369 ( 0.089 -11.962 -7.222) 13.974 7.413 ( -1.908 -3.303 -11.789) 12.390 7.729 ( -2.790 -4.685 7.734) 9.463 7.812 ( -5.196 -7.406 1.337) 9.146 7.904 ( -7.480 -5.324 2.594) 9.540 8.569 ( 13.018 -2.991 -2.815) 13.650 8.612 ( 0.700 -2.869 3.637) 4.686 8.957 ( -13.181 -0.432 5.693) 14.364 9.207 ( -2.652 -3.182 0.419) 4.164 9.539 ( 8.563 -0.280 5.198) 10.021 9.648 ( 7.658 -2.568 -6.177) 10.168 9.844 ( -5.001 1.834 -2.453) 5.864 10.108 ( -2.379 -3.405 -1.518) 4.423 10.339 ( -6.387 1.563 -6.152) 9.005 10.599 ( -0.564 1.021 3.771) 3.947 10.665 ( -5.420 -1.851 1.557) 5.936 10.674 ( -2.046 2.276 -9.437) 9.921 10.854 ( 0.814 2.292 -0.213) 2.442 11.026 ( -4.542 3.723 3.744) 6.965 11.088 ( 0.697 -0.028 4.047) 4.107 11.155 ( -9.434 1.653 5.021) 10.814 11.486 ( 4.026 0.247 -1.648) 4.358 11.629 ( 1.472 3.214 -2.364) 4.253 11.728 ( 7.822 6.570 6.279) 11.991 11.905 ( 5.101 -0.919 5.801) 7.779 12.069 ( 1.514 0.906 3.468) 3.890 12.203 ( 3.089 2.461 -2.097) 4.471 12.507 ( 2.635 -1.057 1.570) 3.244 12.608 ( -0.423 2.727 -1.706) 3.244 12.698 ( -3.335 -0.549 -3.313) 4.732 12.960 ( -4.167 -1.195 8.582) 9.615 13.066 ( -1.482 0.998 -2.618) 3.169 13.465 ( 4.134 5.288 0.765) 6.755 13.770 ( 0.528 3.542 -0.379) 3.601 13.870 ( -0.875 4.098 -1.512) 4.454 14.120 ( 3.421 4.183 -4.580) 7.083 ======================= Grid point 97 (37/140) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 17.309 -20.239 20.909) 33.858 2.347 ( 19.931 -21.861 18.959) 35.136 3.379 ( 4.340 -9.849 4.904) 11.828 3.752 ( 6.442 0.800 -16.178) 17.432 4.018 ( 6.899 -10.153 -4.684) 13.138 4.275 ( -13.377 5.834 6.792) 16.097 4.415 ( -4.111 3.380 5.791) 7.865 4.857 ( 0.778 15.457 7.039) 17.002 5.025 ( -9.566 5.801 -0.629) 11.205 5.220 ( 3.115 3.464 8.443) 9.643 5.721 ( -6.415 0.200 4.957) 8.110 5.854 ( -4.726 -0.311 7.498) 8.869 6.025 ( 5.137 -2.297 -14.167) 15.243 6.118 ( 1.322 -4.352 -4.243) 6.220 6.263 ( -2.688 -8.140 -2.632) 8.967 6.557 ( 9.661 3.336 -1.068) 10.277 6.759 ( -0.407 -1.566 -10.164) 10.292 7.380 ( 4.750 -4.374 3.027) 7.131 7.445 ( -1.752 -4.438 -2.472) 5.374 7.606 ( 0.936 -13.310 -7.300) 15.210 7.879 ( -4.250 -10.182 2.999) 11.434 7.993 ( -3.905 -10.832 2.796) 11.849 8.014 ( 0.042 -13.714 -0.526) 13.724 8.682 ( 1.104 -5.232 -1.101) 5.460 8.763 ( 3.564 -6.070 1.036) 7.115 8.910 ( -4.528 -4.149 4.384) 7.546 9.240 ( -3.388 -1.907 3.393) 5.160 9.599 ( 1.133 -0.960 -1.080) 1.836 9.733 ( 5.848 2.713 -0.317) 6.454 9.788 ( -0.595 -2.773 -3.215) 4.287 10.151 ( -0.391 -1.509 -4.093) 4.379 10.249 ( -4.386 -0.140 -4.883) 6.565 10.537 ( -4.007 4.935 1.904) 6.636 10.569 ( -3.511 2.079 -11.048) 11.778 10.651 ( -1.066 1.687 0.226) 2.008 10.795 ( -5.654 2.501 7.165) 9.463 10.894 ( -5.201 5.723 5.223) 9.332 11.035 ( -2.388 3.181 -2.321) 4.605 11.142 ( -3.478 -1.839 4.581) 6.038 11.402 ( 4.210 11.170 -6.649) 13.664 11.589 ( 3.460 5.585 3.827) 7.603 11.689 ( 7.552 3.092 9.003) 12.151 11.963 ( 1.712 -0.515 6.898) 7.126 12.075 ( -0.064 4.430 5.625) 7.160 12.149 ( 3.998 0.768 -1.802) 4.452 12.560 ( 5.560 1.919 -1.537) 6.080 12.597 ( 1.191 -2.981 -0.938) 3.344 12.665 ( -3.928 -1.341 -4.430) 6.070 12.955 ( -6.592 0.360 2.351) 7.008 13.031 ( -0.043 0.298 -0.525) 0.605 13.397 ( 2.801 5.317 2.767) 6.617 13.665 ( -1.097 6.591 0.988) 6.755 13.763 ( -0.514 5.622 -1.876) 5.949 14.026 ( 3.177 6.948 -4.309) 8.771 ======================= Grid point 98 (38/140) ======================= q-point: ( 0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 10.155 -18.434 13.564) 25.038 2.955 ( 12.970 -21.063 16.131) 29.531 3.460 ( -1.153 -3.871 -5.516) 6.837 3.726 ( 3.087 2.006 -8.216) 9.003 4.069 ( -7.269 6.468 4.590) 10.758 4.203 ( -5.777 -4.632 1.032) 7.476 4.402 ( -1.350 10.919 11.249) 15.735 4.568 ( 0.785 9.701 6.262) 11.573 4.888 ( -6.179 -1.731 -7.253) 9.684 5.241 ( 2.126 -0.802 1.118) 2.532 5.700 ( -3.506 9.976 3.238) 11.059 5.744 ( 6.503 -3.065 8.429) 11.079 6.065 ( -0.445 -4.210 -7.436) 8.557 6.250 ( 0.518 -2.124 -9.664) 9.908 6.394 ( -2.397 -5.839 4.934) 8.012 6.514 ( 11.917 5.580 -2.999) 13.496 6.834 ( -2.233 -7.438 -2.581) 8.184 7.407 ( -6.297 -0.735 2.701) 6.891 7.563 ( 4.535 -3.017 5.236) 7.555 7.841 ( 1.426 -12.022 -7.423) 14.201 7.974 ( -4.726 -6.281 -1.414) 7.986 8.271 ( 2.984 -11.355 -3.467) 12.242 8.284 ( -0.511 -16.251 1.663) 16.344 8.766 ( -5.020 -6.278 -3.412) 8.733 8.916 ( -0.845 -9.547 6.159) 11.392 9.065 ( 8.083 -6.126 -0.316) 10.147 9.250 ( -3.323 -1.555 4.837) 6.070 9.578 ( -3.949 2.443 0.522) 4.672 9.688 ( 2.320 2.038 -1.288) 3.346 9.877 ( 1.222 -5.235 -4.661) 7.115 10.122 ( 1.027 0.865 -5.668) 5.825 10.226 ( -1.659 3.266 -0.666) 3.723 10.394 ( -3.801 5.030 -6.110) 8.780 10.461 ( -2.964 3.637 -5.591) 7.299 10.590 ( -2.175 2.305 -2.045) 3.771 10.681 ( -4.015 5.230 6.582) 9.317 10.797 ( -4.051 3.740 7.393) 9.222 10.940 ( -1.328 3.164 -4.056) 5.313 11.123 ( -3.005 3.418 -0.919) 4.643 11.200 ( 0.376 6.657 -0.956) 6.735 11.519 ( 1.410 4.388 8.091) 9.312 11.762 ( 10.412 1.895 9.904) 14.495 11.905 ( 1.575 9.715 5.666) 11.356 12.062 ( 0.697 -4.092 -2.139) 4.670 12.215 ( 2.105 -2.775 1.865) 3.951 12.548 ( 3.374 3.147 1.837) 4.966 12.605 ( -3.876 -0.495 -1.249) 4.103 12.741 ( 3.990 -5.189 -4.027) 7.686 12.849 ( -5.759 2.766 -4.714) 7.939 13.039 ( -0.971 -0.200 2.441) 2.634 13.332 ( 1.958 4.128 4.160) 6.179 13.544 ( -2.302 4.086 1.057) 4.807 13.645 ( -1.507 5.093 -0.757) 5.365 13.904 ( 2.982 7.001 -3.476) 8.366 ======================= Grid point 99 (39/140) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.113 ( -2.341 -1.887 6.931) 7.555 3.420 ( 2.882 -10.747 16.093) 19.565 3.510 ( 0.809 -2.596 -1.329) 3.027 3.712 ( 3.894 4.031 -3.254) 6.481 3.902 ( -2.251 3.022 6.233) 7.284 4.075 ( -1.882 7.027 8.119) 10.901 4.290 ( -2.900 -3.480 4.250) 6.211 4.458 ( -8.660 3.422 1.815) 9.486 4.947 ( -1.851 -9.749 -7.972) 12.729 5.295 ( 1.204 -4.380 -5.468) 7.109 5.523 ( 5.516 10.363 3.442) 12.234 5.767 ( -1.328 11.805 3.738) 12.454 6.048 ( -4.778 8.014 -9.763) 13.504 6.253 ( 8.921 -8.535 1.297) 12.415 6.463 ( 6.278 0.141 -0.411) 6.293 6.608 ( 5.847 -3.223 4.370) 7.980 6.934 ( -5.735 -6.462 -1.429) 8.757 7.350 ( -8.927 0.607 5.463) 10.484 7.631 ( 1.441 -0.091 4.831) 5.042 8.028 ( 0.169 -8.407 -6.998) 10.939 8.058 ( 0.512 -4.245 -1.274) 4.462 8.426 ( 5.903 -2.209 -5.314) 8.244 8.533 ( -0.705 -8.682 -0.423) 8.721 8.805 ( -4.172 -0.970 -1.527) 4.548 9.096 ( -0.247 -4.757 5.012) 6.915 9.198 ( 2.538 -3.159 -2.240) 4.630 9.298 ( -0.224 -4.267 6.030) 7.390 9.462 ( -2.262 5.798 1.311) 6.360 9.721 ( 1.278 -4.525 -4.152) 6.272 9.937 ( -2.978 3.055 -1.057) 4.395 10.048 ( 0.751 6.156 -1.003) 6.283 10.167 ( 1.389 -0.256 -6.072) 6.235 10.249 ( 1.404 -0.537 -6.639) 6.807 10.403 ( -2.836 1.505 -0.633) 3.273 10.528 ( -2.556 -1.672 -3.256) 4.464 10.568 ( -2.024 6.963 0.379) 7.261 10.739 ( 0.890 -0.913 1.066) 1.662 10.939 ( 1.201 -2.887 1.028) 3.292 11.005 ( -5.128 2.436 -0.650) 5.714 11.142 ( -1.311 1.724 2.290) 3.152 11.483 ( -4.165 1.837 12.687) 13.479 11.740 ( 1.784 10.221 4.284) 11.225 11.833 ( 9.765 2.186 5.115) 11.238 12.149 ( 1.959 -4.178 -6.687) 8.124 12.256 ( -0.756 1.048 1.270) 1.811 12.482 ( -4.007 3.497 5.698) 7.794 12.593 ( 1.172 0.161 -1.004) 1.552 12.736 ( -3.016 -1.102 -3.902) 5.053 12.912 ( 5.161 -5.431 -2.408) 7.869 13.029 ( -1.649 0.015 1.335) 2.122 13.302 ( 1.239 2.417 4.046) 4.873 13.484 ( -0.780 1.526 0.970) 1.969 13.572 ( -3.579 -1.226 0.375) 3.801 13.801 ( 2.285 4.986 -2.888) 6.199 ======================= Grid point 100 (40/140) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( -7.231 25.114 5.547) 26.716 3.109 ( -6.388 31.965 9.197) 33.869 3.679 ( -0.332 -13.365 3.019) 13.706 3.868 ( 1.517 -10.730 1.629) 10.959 4.048 ( 3.811 -8.148 5.423) 10.503 4.161 ( 0.527 -7.169 8.125) 10.849 4.276 ( -11.002 -0.816 3.843) 11.683 4.369 ( -3.158 -2.751 -0.216) 4.194 5.079 ( -2.118 12.419 -0.036) 12.599 5.234 ( 4.111 10.329 -0.450) 11.126 5.422 ( -2.933 -12.004 -2.388) 12.586 5.600 ( 11.289 3.825 2.082) 12.100 5.850 ( -3.964 4.564 -13.778) 15.046 6.429 ( 2.751 0.624 2.621) 3.850 6.528 ( 6.562 -1.444 0.968) 6.788 6.693 ( 6.365 1.370 3.094) 7.209 6.960 ( -9.312 -3.730 -2.968) 10.461 7.291 ( -7.158 -0.464 6.660) 9.788 7.630 ( -0.093 1.637 2.123) 2.683 8.065 ( -3.213 1.110 -1.956) 3.922 8.147 ( 5.692 -1.603 -5.175) 7.858 8.430 ( 8.266 6.483 -4.743) 11.526 8.562 ( -1.581 6.121 -1.053) 6.408 8.692 ( -4.585 6.872 -1.037) 8.326 9.077 ( -1.459 4.441 5.428) 7.163 9.187 ( 1.435 5.017 1.327) 5.385 9.352 ( -0.128 5.126 -1.071) 5.238 9.478 ( -0.022 -9.161 3.247) 9.720 9.670 ( -4.687 11.322 5.349) 13.371 9.797 ( 4.609 0.326 -6.585) 8.044 10.108 ( -0.009 -7.799 -2.236) 8.113 10.145 ( 2.313 -1.124 -3.839) 4.621 10.289 ( -3.283 2.170 -3.647) 5.366 10.412 ( 0.237 -4.864 0.005) 4.870 10.550 ( 9.228 -6.060 -2.617) 11.346 10.640 ( -3.718 -12.156 -3.983) 13.321 10.803 ( 1.473 -4.141 -0.280) 4.404 10.917 ( -2.401 2.090 2.008) 3.764 11.059 ( -1.609 -6.835 1.244) 7.131 11.113 ( -0.321 0.751 1.342) 1.571 11.447 ( -6.466 0.617 12.098) 13.731 11.574 ( -0.320 9.237 6.547) 11.326 11.856 ( 3.540 3.159 2.942) 5.583 12.121 ( -0.333 4.943 -3.631) 6.142 12.258 ( 1.842 -3.305 -7.018) 7.973 12.436 ( -6.890 -1.007 4.404) 8.239 12.622 ( 5.517 -0.367 1.478) 5.723 12.756 ( -1.969 -2.289 -0.460) 3.054 13.001 ( 1.491 -1.003 -3.122) 3.602 13.052 ( -0.653 -3.394 1.517) 3.774 13.267 ( -0.402 2.899 5.081) 5.863 13.494 ( 0.243 -3.778 0.046) 3.786 13.625 ( -0.192 -3.556 -0.594) 3.610 13.757 ( 0.217 -1.393 -2.685) 3.032 ======================= Grid point 101 (41/140) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( -5.699 31.401 10.877) 33.716 2.416 ( -4.996 36.956 9.472) 38.476 3.745 ( -7.101 26.449 5.765) 27.985 3.857 ( -2.503 -2.189 -4.407) 5.521 4.214 ( -3.345 -3.995 2.611) 5.829 4.277 ( 0.631 -6.854 6.660) 9.578 4.400 ( -4.262 -12.792 8.106) 15.732 4.442 ( -2.370 -8.754 -0.601) 9.089 4.728 ( 1.157 0.367 10.412) 10.483 5.306 ( 4.261 -2.543 -8.110) 9.508 5.585 ( 2.805 -2.354 -4.839) 6.069 5.682 ( 7.329 2.217 3.865) 8.577 5.831 ( 4.739 -11.007 -8.833) 14.887 6.372 ( -0.753 5.315 -0.145) 5.370 6.518 ( -1.608 4.776 1.107) 5.160 6.664 ( 1.589 6.944 3.641) 8.001 6.929 ( -6.345 -2.448 -7.363) 10.023 7.271 ( -3.066 0.885 5.938) 6.742 7.592 ( -0.437 1.528 -1.858) 2.445 7.929 ( -1.149 9.982 -4.006) 10.817 8.156 ( 3.480 4.208 -4.182) 6.877 8.269 ( -1.404 17.841 -0.524) 17.904 8.318 ( 7.313 11.096 -1.719) 13.400 8.519 ( -6.113 6.459 -0.950) 8.944 8.985 ( -0.402 7.110 6.325) 9.524 9.138 ( 7.442 3.561 4.172) 9.245 9.185 ( -4.113 9.740 1.422) 10.668 9.423 ( -3.192 2.397 1.438) 4.242 9.707 ( 1.266 0.376 -3.760) 3.985 9.841 ( 5.635 -6.554 0.762) 8.677 10.139 ( -0.281 -0.749 -1.936) 2.095 10.217 ( -3.557 -2.978 -1.866) 5.000 10.348 ( 0.217 -9.053 4.833) 10.264 10.534 ( 3.268 -6.587 -2.905) 7.906 10.725 ( 9.250 -0.341 1.475) 9.373 10.778 ( -1.236 -3.413 -9.009) 9.713 10.900 ( -3.365 -7.251 2.455) 8.363 10.987 ( -2.171 -10.337 -1.000) 10.610 11.141 ( 0.081 -4.763 0.181) 4.767 11.148 ( 4.379 -1.426 0.482) 4.630 11.436 ( -1.064 3.957 3.787) 5.580 11.450 ( -8.066 -3.130 12.070) 14.851 11.812 ( -2.223 2.185 8.519) 9.071 12.054 ( 2.608 2.381 -4.400) 5.642 12.301 ( -1.152 -2.462 -4.908) 5.610 12.421 ( -4.406 -2.812 -3.449) 6.262 12.692 ( 6.352 -0.032 4.055) 7.536 12.748 ( -2.612 1.339 -0.242) 2.945 12.986 ( 0.022 1.730 -1.876) 2.552 13.141 ( -1.133 -6.120 -1.789) 6.476 13.217 ( -1.953 2.928 7.605) 8.380 13.621 ( 0.500 -7.859 -1.165) 7.961 13.653 ( 1.361 -1.199 -1.985) 2.689 13.857 ( 0.043 -7.863 -2.897) 8.380 ======================= Grid point 102 (42/140) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -0.201 30.534 20.060) 36.535 1.718 ( 0.502 36.066 15.378) 39.211 2.949 ( -4.650 48.775 30.861) 57.905 3.808 ( 0.653 -0.038 -16.083) 16.097 4.150 ( -3.794 -0.388 -18.505) 18.894 4.539 ( -5.586 -12.844 8.174) 16.217 4.625 ( -5.177 -12.138 3.354) 13.616 4.687 ( 2.129 -14.497 6.695) 16.109 4.945 ( 2.598 -11.166 15.300) 19.118 5.311 ( -2.634 0.068 -4.646) 5.341 5.631 ( 9.952 0.334 -5.191) 11.229 5.695 ( 9.042 5.409 5.936) 12.093 6.052 ( 0.383 -4.725 -8.857) 10.046 6.249 ( -2.491 1.806 -1.374) 3.370 6.399 ( -0.116 5.244 -0.954) 5.331 6.501 ( -6.153 6.940 1.540) 9.402 6.896 ( -2.214 0.041 -9.371) 9.629 7.208 ( -0.700 5.189 3.685) 6.402 7.563 ( -0.313 0.452 -6.544) 6.567 7.669 ( 1.443 14.766 -6.571) 16.226 7.909 ( -2.212 14.980 5.899) 16.251 8.051 ( 0.857 8.223 -3.760) 9.082 8.181 ( -3.194 5.505 0.439) 6.379 8.370 ( 4.648 7.196 -0.625) 8.590 8.800 ( -5.062 9.328 2.276) 10.855 9.053 ( -0.184 3.465 5.360) 6.385 9.188 ( 11.015 2.185 8.032) 13.807 9.383 ( -3.523 0.029 -1.046) 3.675 9.636 ( 3.838 5.023 -7.161) 9.552 10.010 ( -5.288 -6.632 0.785) 8.519 10.145 ( 0.628 -1.303 1.002) 1.759 10.294 ( 0.367 -5.116 0.248) 5.135 10.502 ( 0.141 -5.140 5.462) 7.502 10.671 ( 3.632 -4.463 -3.142) 6.556 10.746 ( -0.432 -0.004 3.476) 3.503 10.790 ( 5.289 0.527 -6.534) 8.423 10.987 ( 0.941 2.057 4.481) 5.020 11.059 ( -5.490 -6.306 -1.291) 8.460 11.213 ( 1.101 -4.053 -1.353) 4.413 11.358 ( 3.235 -9.592 2.624) 10.458 11.382 ( -1.257 -1.263 1.710) 2.470 11.545 ( -2.573 -6.931 3.062) 8.002 11.805 ( -0.550 0.743 10.577) 10.617 12.030 ( 0.977 0.676 -2.436) 2.710 12.329 ( -8.413 -5.320 0.452) 9.964 12.434 ( 1.941 -1.025 -8.289) 8.575 12.661 ( -3.253 3.910 -1.307) 5.252 12.741 ( 4.179 0.799 1.930) 4.672 12.957 ( 0.073 0.482 0.562) 0.744 13.152 ( -4.846 1.557 6.672) 8.392 13.243 ( 3.456 -2.648 -1.702) 4.674 13.701 ( 0.100 -4.321 -2.215) 4.856 13.778 ( 0.524 -7.185 -1.077) 7.284 13.995 ( 0.971 -6.643 -3.556) 7.598 ======================= Grid point 105 (43/140) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 24.754 -0.000 26.452) 36.228 1.861 ( 29.558 -0.000 24.763) 38.561 2.998 ( 31.099 -0.000 36.734) 48.130 3.743 ( 6.008 -0.000 -23.156) 23.922 4.000 ( 9.227 -0.000 -24.960) 26.611 4.429 ( -16.992 0.000 5.586) 17.887 4.440 ( -19.675 0.000 -1.040) 19.703 5.125 ( -6.765 0.000 10.770) 12.718 5.227 ( -5.342 0.000 12.458) 13.555 5.460 ( -2.051 0.000 7.629) 7.900 5.528 ( -6.750 0.000 12.647) 14.335 5.600 ( 6.995 -0.000 -11.484) 13.447 5.884 ( 3.128 -0.000 -6.761) 7.449 6.078 ( -2.076 0.000 -4.220) 4.703 6.361 ( -1.367 0.000 -5.306) 5.479 6.612 ( 12.147 -0.000 -6.735) 13.889 6.769 ( 0.435 -0.000 -9.421) 9.431 7.211 ( -0.274 0.000 -6.351) 6.357 7.236 ( 7.837 -0.000 4.419) 8.998 7.331 ( -0.497 0.000 -14.152) 14.160 7.684 ( -2.074 0.000 6.175) 6.514 7.696 ( -7.675 0.000 3.147) 8.295 7.792 ( -6.985 0.000 6.760) 9.721 8.610 ( 2.560 -0.000 1.920) 3.200 8.640 ( 9.380 -0.000 -2.762) 9.778 8.840 ( -13.427 0.000 3.699) 13.928 9.155 ( -2.482 0.000 3.315) 4.141 9.590 ( 1.212 -0.000 1.042) 1.598 9.673 ( 8.305 -0.000 -6.668) 10.651 9.861 ( 2.914 -0.000 1.395) 3.231 10.031 ( -3.138 0.000 -2.097) 3.774 10.251 ( -10.270 0.000 -8.245) 13.170 10.574 ( -6.602 0.000 -5.072) 8.325 10.625 ( 0.785 -0.000 1.740) 1.909 10.669 ( -0.598 0.000 -5.574) 5.606 10.896 ( 0.882 -0.000 0.338) 0.945 11.045 ( -4.509 0.000 6.660) 8.043 11.067 ( -6.679 0.000 0.251) 6.683 11.112 ( -5.980 0.000 8.958) 10.771 11.485 ( 0.570 -0.000 1.442) 1.550 11.651 ( 1.610 -0.000 -6.371) 6.572 11.915 ( 9.419 -0.000 11.047) 14.518 11.967 ( 7.790 -0.000 1.934) 8.026 12.099 ( 0.646 -0.000 5.702) 5.739 12.271 ( 7.034 -0.000 -5.027) 8.645 12.525 ( 2.683 -0.000 1.127) 2.910 12.618 ( -3.732 0.000 0.717) 3.801 12.658 ( -1.941 0.000 -3.183) 3.728 12.938 ( -4.109 0.000 9.172) 10.051 13.058 ( -1.053 0.000 -3.331) 3.494 13.543 ( 0.777 -0.000 0.921) 1.205 13.815 ( 1.838 -0.000 -0.710) 1.971 13.898 ( -1.208 0.000 -1.535) 1.954 14.183 ( 4.393 -0.000 -5.456) 7.005 ======================= Grid point 106 (44/140) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.210 ( 23.498 -10.073 22.356) 33.962 2.293 ( 26.692 -10.961 21.781) 36.153 3.352 ( 12.833 -2.487 13.899) 19.080 3.748 ( 6.930 -1.235 -18.296) 19.603 4.005 ( 12.270 0.507 -16.808) 20.817 4.229 ( -19.276 2.491 4.536) 19.959 4.360 ( -9.554 -4.411 5.300) 11.783 5.011 ( -7.056 6.290 6.406) 11.419 5.157 ( -3.786 6.315 9.540) 12.051 5.387 ( 1.116 10.409 9.481) 14.124 5.522 ( -12.038 -8.776 5.513) 15.885 5.809 ( 6.112 -10.628 -2.385) 12.490 5.906 ( 0.889 -1.253 -9.184) 9.312 6.085 ( -0.535 -5.154 -2.511) 5.758 6.234 ( -0.696 8.513 -6.620) 10.806 6.674 ( 8.817 0.980 -2.975) 9.357 6.740 ( 1.691 0.738 -9.791) 9.964 7.308 ( -2.064 -3.965 -7.592) 8.811 7.349 ( 2.558 -10.781 -8.839) 14.174 7.376 ( 8.421 -5.096 5.119) 11.094 7.693 ( -5.868 -5.663 7.702) 11.218 7.765 ( -1.990 -8.643 0.860) 8.910 7.821 ( -5.289 -5.956 6.762) 10.448 8.624 ( -9.016 -1.051 -1.239) 9.161 8.673 ( 1.156 -2.826 2.856) 4.180 8.855 ( 8.201 -3.441 -0.344) 8.900 9.168 ( -4.487 -2.686 3.812) 6.472 9.576 ( -3.372 -0.129 -0.787) 3.465 9.741 ( 5.238 -1.806 -5.906) 8.098 9.845 ( 2.528 3.909 1.472) 4.883 10.074 ( 0.195 -5.114 -2.888) 5.876 10.153 ( -7.200 -0.803 -9.313) 11.799 10.500 ( -5.065 0.321 -9.602) 10.861 10.620 ( -2.467 3.281 -0.042) 4.105 10.644 ( 0.022 -0.963 -0.515) 1.092 10.842 ( -3.087 4.500 3.580) 6.526 10.947 ( -8.422 3.699 4.033) 10.044 11.024 ( -4.644 0.371 3.058) 5.572 11.126 ( -0.866 -0.635 5.795) 5.894 11.521 ( 1.800 -1.090 -2.763) 3.473 11.643 ( 1.894 0.029 -2.157) 2.871 11.897 ( 6.307 9.563 6.235) 13.042 12.020 ( 3.110 2.026 7.103) 8.014 12.145 ( 3.795 -0.480 6.696) 7.712 12.257 ( 2.778 4.652 -2.784) 6.091 12.566 ( 3.500 -1.786 -0.607) 3.976 12.602 ( -2.052 -0.813 0.075) 2.208 12.626 ( 0.565 1.347 -2.135) 2.587 12.927 ( -4.300 0.463 6.727) 7.997 13.032 ( -0.659 0.654 -2.668) 2.825 13.511 ( 0.889 3.669 2.224) 4.382 13.785 ( 1.178 4.685 0.464) 4.853 13.842 ( -0.979 3.812 -2.582) 4.707 14.157 ( 3.989 4.703 -5.453) 8.232 ======================= Grid point 107 (45/140) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 18.405 -12.639 16.477) 27.748 2.800 ( 18.667 -14.518 18.992) 30.331 3.379 ( -3.261 -0.896 -2.686) 4.319 3.742 ( -1.154 0.808 -8.604) 8.719 4.041 ( -12.820 -0.055 1.075) 12.865 4.106 ( 5.957 -1.169 -6.159) 8.648 4.508 ( 5.797 -4.722 8.720) 11.486 4.851 ( -5.473 5.166 1.686) 7.713 4.928 ( -1.679 17.777 7.256) 19.274 5.254 ( -2.962 3.910 2.922) 5.709 5.595 ( -11.654 -8.259 7.336) 16.058 5.857 ( 0.703 3.385 2.383) 4.199 6.017 ( 2.771 -1.149 -11.390) 11.778 6.118 ( 4.225 -7.663 -10.312) 13.524 6.262 ( 2.091 -7.770 3.821) 8.908 6.689 ( -0.646 -1.181 -8.541) 8.647 6.750 ( 10.836 3.244 1.766) 11.448 7.320 ( -4.828 -2.456 -2.497) 5.964 7.555 ( 4.524 -5.160 7.089) 9.866 7.590 ( 3.038 -11.999 -7.081) 14.260 7.814 ( -4.730 -6.815 2.596) 8.692 7.955 ( -1.799 -15.768 2.396) 16.050 8.016 ( -0.424 -14.352 1.155) 14.404 8.589 ( -9.766 -5.706 -1.766) 11.447 8.793 ( 4.844 -5.510 3.731) 8.231 9.022 ( 8.741 -5.336 -2.283) 10.492 9.193 ( -3.950 -2.799 4.641) 6.707 9.544 ( -5.854 -0.610 1.146) 5.996 9.752 ( -0.814 2.216 -1.133) 2.619 9.811 ( 1.519 -0.731 -7.870) 8.049 10.115 ( 1.127 -0.311 -8.601) 8.680 10.161 ( -0.646 -4.581 -4.863) 6.712 10.419 ( -4.782 0.661 -11.337) 12.322 10.496 ( -3.149 6.881 3.483) 8.330 10.636 ( -1.163 2.230 -1.744) 3.060 10.748 ( -5.792 2.650 10.111) 11.950 10.817 ( -6.677 3.818 5.678) 9.561 10.976 ( -1.863 2.249 0.055) 2.921 11.131 ( -0.491 0.537 1.488) 1.656 11.432 ( 4.269 11.251 -9.218) 15.158 11.671 ( 2.872 4.410 4.689) 7.048 11.823 ( 1.809 -1.351 8.147) 8.454 12.018 ( 0.949 1.400 5.287) 5.551 12.118 ( 1.018 7.074 3.342) 7.889 12.225 ( 3.927 0.373 -0.249) 3.952 12.555 ( -5.122 1.006 0.519) 5.245 12.615 ( 2.816 -0.423 -1.133) 3.065 12.694 ( 6.650 -3.830 0.554) 7.694 12.859 ( -3.850 4.013 0.208) 5.565 13.022 ( -1.391 -0.593 1.493) 2.125 13.449 ( 1.429 4.475 2.827) 5.482 13.658 ( -0.576 8.352 1.298) 8.472 13.739 ( -0.680 5.503 -2.561) 6.108 14.056 ( 3.124 7.081 -4.545) 8.976 ======================= Grid point 108 (46/140) ======================= q-point: ( 0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.010 ( 3.890 -7.233 9.787) 12.776 3.241 ( 7.362 -14.240 15.547) 22.331 3.478 ( 6.270 -7.435 -0.811) 9.760 3.719 ( -0.686 -2.629 -0.338) 2.738 3.918 ( -12.250 1.921 6.158) 13.845 4.190 ( 4.194 -2.434 -1.511) 5.079 4.418 ( -3.566 18.178 7.839) 20.114 4.590 ( -0.532 14.170 3.209) 14.539 4.786 ( -2.290 -1.995 -2.773) 4.113 5.206 ( -3.065 -2.213 -6.542) 7.555 5.648 ( -4.705 -2.357 5.631) 7.707 5.788 ( -3.485 1.693 -7.737) 8.653 6.148 ( 6.377 -9.310 -3.740) 11.888 6.226 ( 7.171 3.563 -4.203) 9.044 6.408 ( -0.028 -5.567 5.790) 8.033 6.703 ( 8.135 0.254 -5.108) 9.609 6.786 ( 0.158 -1.421 3.443) 3.729 7.291 ( -8.096 -0.153 4.233) 9.137 7.648 ( -0.287 -0.933 7.222) 7.288 7.809 ( 0.535 -10.802 -6.329) 12.531 7.946 ( 2.263 -8.725 -1.304) 9.107 8.286 ( -0.329 -16.181 2.612) 16.393 8.299 ( 2.862 -13.671 -4.635) 14.717 8.657 ( -4.957 -7.790 -3.212) 9.777 8.969 ( 2.900 -7.314 5.601) 9.658 9.142 ( 0.109 -3.567 -2.128) 4.155 9.259 ( 1.261 -3.327 4.776) 5.955 9.505 ( -4.690 -0.066 0.352) 4.703 9.690 ( 0.364 1.882 -2.610) 3.238 9.855 ( 0.493 -5.060 -6.512) 8.262 10.118 ( 3.325 -0.120 -8.437) 9.069 10.178 ( -1.973 0.599 -4.237) 4.713 10.299 ( -3.566 5.599 -7.941) 10.350 10.382 ( -2.167 2.154 0.638) 3.121 10.520 ( -4.356 5.802 0.314) 7.262 10.688 ( -4.331 3.346 10.756) 12.068 10.751 ( -2.828 0.364 6.422) 7.026 10.917 ( 0.636 2.508 -2.807) 3.818 11.097 ( 1.012 3.972 -3.762) 5.564 11.213 ( 2.359 8.988 -3.126) 9.804 11.576 ( -0.604 6.735 8.308) 10.712 11.924 ( 1.536 2.708 5.479) 6.301 11.959 ( 1.940 2.840 2.228) 4.098 12.078 ( 2.872 -1.728 -0.603) 3.406 12.246 ( 0.126 -0.538 -0.554) 0.782 12.480 ( -7.775 1.993 2.699) 8.468 12.653 ( 3.857 -0.641 1.701) 4.264 12.735 ( -0.201 5.553 -2.422) 6.061 12.839 ( 4.986 -5.470 -0.382) 7.411 13.024 ( -1.872 -0.183 2.320) 2.987 13.388 ( 1.559 3.967 3.295) 5.387 13.515 ( -1.909 4.583 1.776) 5.273 13.609 ( -1.645 6.128 -1.363) 6.490 13.932 ( 2.505 6.945 -3.574) 8.202 ======================= Grid point 109 (47/140) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.110 ( -1.885 3.589 7.722) 8.721 3.494 ( -2.808 -2.330 11.426) 11.994 3.546 ( -0.159 3.853 5.305) 6.558 3.758 ( 2.749 4.254 -3.021) 5.897 3.922 ( -0.099 -7.672 8.076) 11.140 4.123 ( 2.680 0.974 8.619) 9.079 4.202 ( -9.038 2.298 4.429) 10.324 4.386 ( -1.376 6.885 -0.827) 7.069 4.908 ( 1.658 -12.667 -1.391) 12.850 5.238 ( -0.650 -5.129 -10.619) 11.810 5.639 ( -4.443 10.183 -6.646) 12.946 5.701 ( 4.136 -2.052 3.484) 5.784 5.945 ( -1.623 17.592 -5.910) 18.629 6.411 ( 4.105 -6.030 1.143) 7.384 6.520 ( 0.611 -4.058 3.323) 5.281 6.772 ( 2.324 -3.088 -6.032) 7.163 6.825 ( 2.071 -0.006 4.700) 5.136 7.241 ( -6.549 -0.397 8.717) 10.910 7.660 ( -0.843 0.707 4.717) 4.843 7.957 ( -1.238 -6.625 -5.923) 8.973 8.129 ( 5.179 -5.958 -1.158) 7.979 8.494 ( 3.601 -5.217 -5.482) 8.380 8.533 ( 2.557 -6.723 0.212) 7.196 8.724 ( -3.250 -1.887 -3.451) 5.102 9.102 ( -3.738 -2.708 7.327) 8.659 9.180 ( -1.737 -2.593 -2.168) 3.800 9.325 ( -1.378 -2.962 5.279) 6.208 9.479 ( 4.048 1.876 -0.970) 4.566 9.729 ( 2.524 -5.502 -4.467) 7.523 9.887 ( -1.609 5.731 0.011) 5.952 10.033 ( -0.824 4.395 -4.217) 6.146 10.179 ( 3.317 1.787 -4.637) 5.975 10.224 ( 0.820 -6.978 -7.977) 10.630 10.358 ( -1.397 -0.808 2.146) 2.684 10.419 ( -6.484 -1.382 -0.012) 6.629 10.565 ( -0.938 5.414 1.975) 5.839 10.807 ( 4.813 -2.254 4.065) 6.691 10.882 ( -4.147 -0.383 -1.871) 4.565 11.029 ( 4.571 1.699 -1.209) 5.025 11.135 ( -0.463 2.108 0.838) 2.316 11.471 ( -5.231 4.239 11.256) 13.116 11.778 ( -0.495 9.407 3.097) 9.916 11.967 ( 2.247 3.703 0.436) 4.353 12.147 ( 2.580 -1.569 -5.995) 6.712 12.224 ( -2.406 0.397 -0.658) 2.526 12.382 ( -7.164 1.110 3.308) 7.968 12.676 ( 3.411 1.046 -0.427) 3.593 12.709 ( 2.459 -1.077 3.722) 4.589 12.952 ( 0.133 -3.027 -2.862) 4.168 13.027 ( 1.003 -1.006 2.086) 2.524 13.337 ( -0.372 3.288 3.450) 4.780 13.489 ( 0.492 2.536 0.255) 2.596 13.511 ( -2.865 -3.652 1.470) 4.869 13.821 ( 1.848 5.524 -3.060) 6.580 ======================= Grid point 110 (48/140) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.798 ( 0.856 26.430 8.888) 27.898 3.087 ( -2.581 32.469 10.408) 34.194 3.676 ( -1.898 -11.780 1.704) 12.053 3.839 ( -3.103 -3.824 -5.844) 7.642 4.058 ( -6.945 -2.997 4.446) 8.774 4.133 ( -4.566 -10.071 8.553) 13.979 4.315 ( 0.810 -5.019 -1.111) 5.204 4.328 ( 5.429 -3.163 10.030) 11.835 5.105 ( 2.276 18.795 7.528) 20.374 5.263 ( 2.488 3.600 -5.894) 7.341 5.337 ( -5.311 -12.551 -3.484) 14.067 5.713 ( -4.222 -0.872 -6.744) 8.004 5.825 ( 13.405 0.178 -1.720) 13.516 6.449 ( -0.960 2.055 -1.542) 2.743 6.558 ( -3.217 0.227 1.728) 3.659 6.742 ( -11.937 1.120 0.109) 11.990 6.872 ( 9.872 1.508 -3.267) 10.507 7.261 ( -1.086 -1.758 9.172) 9.401 7.631 ( -0.879 2.547 1.750) 3.213 7.992 ( -1.765 0.345 -5.510) 5.796 8.221 ( 4.176 0.172 -2.903) 5.088 8.489 ( -1.358 5.725 -3.300) 6.746 8.592 ( 0.846 11.851 -4.403) 12.671 8.609 ( 4.382 2.741 0.410) 5.185 9.079 ( -2.977 1.837 8.999) 9.655 9.176 ( -2.814 1.797 0.375) 3.360 9.347 ( -0.204 0.150 -3.206) 3.216 9.535 ( 4.937 6.203 3.564) 8.692 9.628 ( -4.721 3.250 6.250) 8.480 9.865 ( 7.709 -1.257 -7.342) 10.720 10.058 ( -2.308 -8.169 -0.700) 8.518 10.185 ( -4.650 4.486 -3.685) 7.438 10.246 ( 7.296 -3.075 1.990) 8.164 10.435 ( 1.211 -5.463 1.681) 5.843 10.529 ( -4.788 -12.423 -7.508) 15.285 10.628 ( 2.582 -10.998 -3.952) 11.969 10.854 ( -3.310 -1.594 5.229) 6.390 10.890 ( 6.012 0.152 -1.715) 6.253 11.085 ( -0.385 -1.335 1.353) 1.939 11.128 ( 3.072 -3.343 0.516) 4.569 11.400 ( -6.156 1.223 12.082) 13.615 11.589 ( -2.482 9.973 5.441) 11.628 11.864 ( -4.160 4.059 0.999) 5.898 12.119 ( 2.932 2.691 -4.071) 5.693 12.253 ( 0.378 -0.486 -2.725) 2.794 12.336 ( -3.033 -2.060 -2.034) 4.193 12.724 ( 0.044 -1.910 -0.614) 2.007 12.748 ( 3.273 0.072 5.838) 6.693 12.979 ( -1.212 -2.575 -3.655) 4.633 13.049 ( -0.666 -0.240 0.033) 0.708 13.278 ( -1.925 2.989 5.155) 6.262 13.499 ( 0.227 -4.442 0.259) 4.455 13.620 ( 0.251 -5.062 -0.577) 5.101 13.756 ( 1.261 0.222 -2.734) 3.019 ======================= Grid point 111 (49/140) ======================= q-point: (-0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 5.621 30.415 14.676) 34.235 2.464 ( 3.378 34.945 12.134) 37.146 3.647 ( -5.177 14.762 -2.440) 15.833 3.788 ( -0.918 0.328 -9.331) 9.382 4.213 ( -2.688 -1.530 10.961) 11.389 4.254 ( -3.746 5.942 3.706) 7.943 4.361 ( -3.530 -12.741 5.036) 14.148 4.459 ( 0.890 -11.613 4.574) 12.513 4.874 ( 7.669 -1.417 12.267) 14.536 5.252 ( -4.994 -0.546 -9.282) 10.554 5.576 ( 1.703 -10.511 -1.594) 10.767 5.799 ( -0.003 -8.333 -0.975) 8.390 5.927 ( 11.475 0.145 -0.750) 11.500 6.340 ( -1.484 7.042 -3.768) 8.123 6.482 ( -2.726 4.327 0.040) 5.114 6.577 ( -11.093 5.017 1.225) 12.236 6.876 ( 3.450 2.221 -8.411) 9.359 7.297 ( 1.610 1.674 7.011) 7.385 7.572 ( -0.792 2.327 -1.662) 2.968 7.877 ( -0.682 8.602 -6.508) 10.808 8.185 ( 0.724 4.466 -4.419) 6.324 8.254 ( 0.048 19.051 0.723) 19.065 8.284 ( -5.722 10.881 -1.313) 12.364 8.590 ( 11.585 7.094 -0.664) 13.600 8.969 ( -4.798 11.313 3.381) 12.745 9.089 ( -5.301 1.303 6.119) 8.200 9.344 ( -3.172 0.150 -0.957) 3.316 9.382 ( 9.937 6.163 6.419) 13.339 9.691 ( -1.481 -2.566 -2.190) 3.684 9.911 ( 2.269 1.418 -3.497) 4.404 10.108 ( -0.101 -3.690 -1.274) 3.905 10.206 ( 0.420 -4.697 4.166) 6.292 10.410 ( 2.977 -6.736 5.188) 9.008 10.570 ( 2.704 -6.859 -4.350) 8.561 10.647 ( -3.114 -6.629 -8.092) 10.914 10.833 ( -5.543 -6.656 1.690) 8.825 10.899 ( 2.644 -1.401 1.489) 3.342 10.941 ( 0.642 -4.318 -3.018) 5.307 11.155 ( 1.274 -8.882 0.189) 8.975 11.236 ( 3.678 -0.830 0.421) 3.794 11.407 ( -3.081 -3.189 10.691) 11.574 11.433 ( -1.992 3.299 5.483) 6.702 11.821 ( -2.203 -1.152 9.029) 9.365 12.078 ( 2.465 2.885 -3.500) 5.162 12.209 ( -4.964 0.154 -2.350) 5.494 12.398 ( 4.310 -3.325 -6.448) 8.438 12.694 ( -3.096 2.532 0.753) 4.070 12.784 ( 1.415 0.958 0.181) 1.719 12.981 ( 0.704 0.845 0.444) 1.186 13.089 ( -3.308 -4.719 -3.132) 6.559 13.239 ( -0.342 0.460 6.768) 6.792 13.610 ( -0.837 -5.198 -1.351) 5.435 13.664 ( 0.735 -3.373 -1.030) 3.603 13.854 ( 1.575 -7.579 -3.060) 8.324 ======================= Grid point 115 (50/140) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 23.168 -0.000 20.126) 30.689 2.494 ( 27.335 -0.000 22.580) 35.455 3.507 ( 8.159 -0.000 5.304) 9.732 3.742 ( 8.678 -0.000 -21.355) 23.051 4.065 ( -22.010 0.000 -1.080) 22.036 4.068 ( 12.651 -0.000 -20.172) 23.811 4.234 ( -8.508 0.000 18.633) 20.484 5.053 ( -7.957 0.000 9.924) 12.720 5.192 ( -7.479 0.000 13.143) 15.121 5.341 ( -8.638 0.000 1.336) 8.741 5.591 ( -0.331 0.000 15.187) 15.190 5.708 ( 11.744 -0.000 -8.703) 14.617 5.839 ( -2.264 0.000 -11.616) 11.835 6.058 ( 1.313 -0.000 -1.909) 2.317 6.297 ( -1.575 0.000 -6.650) 6.834 6.659 ( -6.220 0.000 -8.103) 10.215 6.803 ( 13.048 -0.000 -5.243) 14.062 7.202 ( 2.685 -0.000 -4.023) 4.837 7.273 ( 2.084 -0.000 -10.629) 10.832 7.420 ( 9.909 -0.000 5.147) 11.166 7.600 ( -5.158 0.000 5.090) 7.246 7.687 ( -2.776 0.000 6.993) 7.524 7.727 ( -5.978 0.000 8.269) 10.204 8.473 ( -17.778 0.000 0.781) 17.795 8.709 ( 8.358 -0.000 0.198) 8.360 8.902 ( 10.469 -0.000 -2.283) 10.715 9.109 ( -4.947 0.000 4.221) 6.503 9.533 ( -6.557 0.000 1.516) 6.730 9.756 ( 4.406 -0.000 -5.472) 7.025 9.886 ( -7.313 0.000 -1.717) 7.512 9.996 ( 2.590 -0.000 -5.984) 6.520 10.100 ( 3.330 -0.000 -6.494) 7.298 10.437 ( -3.772 0.000 -11.260) 11.875 10.622 ( -1.347 0.000 -2.454) 2.800 10.632 ( -1.361 0.000 -1.988) 2.410 10.849 ( -9.696 0.000 3.758) 10.398 10.938 ( -2.132 0.000 0.621) 2.220 11.025 ( -2.927 0.000 9.215) 9.669 11.116 ( -1.472 0.000 6.110) 6.285 11.490 ( -0.835 0.000 1.644) 1.844 11.658 ( 3.309 -0.000 -6.023) 6.872 12.083 ( 2.297 -0.000 8.969) 9.259 12.093 ( 6.085 -0.000 -0.803) 6.137 12.164 ( 0.826 -0.000 8.438) 8.478 12.298 ( -1.560 0.000 -3.775) 4.085 12.575 ( 2.796 -0.000 -0.514) 2.843 12.583 ( -0.518 0.000 2.267) 2.325 12.647 ( 2.635 -0.000 -0.658) 2.716 12.926 ( -2.896 0.000 7.577) 8.112 13.029 ( 0.092 -0.000 -2.531) 2.533 13.554 ( -0.280 0.000 2.593) 2.608 13.844 ( 2.044 -0.000 -1.391) 2.472 13.866 ( -1.316 0.000 -1.494) 1.991 14.225 ( 4.201 -0.000 -6.320) 7.589 ======================= Grid point 116 (51/140) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.698 ( 17.916 -8.528 15.683) 25.291 2.833 ( 20.318 -6.036 21.858) 30.447 3.375 ( -10.378 7.880 -3.902) 13.602 3.740 ( 3.000 2.547 -13.296) 13.866 3.924 ( -13.967 -1.550 0.474) 14.061 4.137 ( 13.817 -1.874 -17.770) 22.588 4.392 ( 1.359 -11.109 14.926) 18.656 4.938 ( -5.982 5.947 9.404) 12.633 5.141 ( -3.996 4.858 7.765) 9.993 5.327 ( -11.723 -4.675 5.109) 13.615 5.459 ( -0.363 11.118 6.706) 12.989 5.817 ( -4.979 -3.387 -12.111) 13.525 5.922 ( 7.945 -8.632 -3.255) 12.176 6.057 ( 0.319 -0.055 -5.567) 5.577 6.236 ( 3.063 1.024 -1.192) 3.443 6.614 ( -2.564 -1.933 -4.231) 5.311 6.894 ( 11.570 0.511 -3.794) 12.187 7.260 ( 1.534 -0.873 -5.787) 6.051 7.351 ( 2.252 -10.356 -4.587) 11.548 7.554 ( 6.972 -3.413 4.869) 9.163 7.644 ( -5.365 -6.532 8.982) 12.334 7.734 ( -1.655 -6.625 2.481) 7.266 7.789 ( -3.325 -8.284 6.857) 11.256 8.374 ( -13.957 -4.868 -0.320) 14.786 8.804 ( 10.425 -1.463 0.321) 10.532 9.004 ( 6.663 -2.701 -3.055) 7.812 9.113 ( -2.875 -3.080 4.083) 5.867 9.472 ( -10.660 -0.474 4.394) 11.540 9.758 ( 0.751 0.449 -5.833) 5.898 9.795 ( -4.269 0.967 -7.565) 8.740 10.042 ( 4.152 -2.848 -8.746) 10.092 10.146 ( 5.348 -0.999 -3.346) 6.387 10.362 ( -3.513 1.145 -12.722) 13.248 10.580 ( -3.327 3.172 1.480) 4.829 10.612 ( -2.617 -1.291 -2.077) 3.582 10.760 ( -7.040 2.081 2.951) 7.912 10.881 ( -1.471 4.741 5.027) 7.065 11.003 ( -0.962 1.539 4.490) 4.843 11.142 ( -1.018 -0.494 5.503) 5.619 11.523 ( 0.343 -1.917 -2.456) 3.135 11.670 ( 2.684 -0.687 -2.547) 3.763 11.992 ( 1.187 10.212 3.965) 11.019 12.086 ( 0.119 2.616 5.969) 6.518 12.221 ( 0.566 1.192 3.571) 3.807 12.236 ( -3.095 0.564 -3.283) 4.547 12.562 ( -1.138 2.147 2.551) 3.524 12.618 ( 2.831 -1.028 -0.940) 3.155 12.695 ( 4.649 -1.748 2.006) 5.357 12.910 ( -1.844 1.706 6.558) 7.023 13.020 ( 0.862 0.782 -0.383) 1.225 13.532 ( -0.014 2.709 2.844) 3.928 13.803 ( -1.012 5.343 -0.500) 5.461 13.817 ( 1.506 3.672 -2.421) 4.649 14.189 ( 3.342 5.030 -5.906) 8.446 ======================= Grid point 117 (52/140) ======================= q-point: ( 0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 7.011 -4.175 8.228) 11.588 3.104 ( -0.080 -3.955 9.114) 9.935 3.271 ( -5.825 -14.421 12.239) 19.792 3.697 ( 4.725 0.866 -3.133) 5.735 3.861 ( -5.717 0.531 4.572) 7.340 4.249 ( 13.659 -0.368 -9.585) 16.690 4.561 ( -3.047 -1.524 0.113) 3.408 4.807 ( -2.537 6.656 6.282) 9.497 4.956 ( 0.018 14.680 5.536) 15.689 5.177 ( -6.578 7.234 1.592) 9.907 5.438 ( -9.778 -9.098 2.604) 13.607 5.776 ( -5.282 0.064 -12.857) 13.900 6.002 ( -0.171 -5.455 -8.374) 9.995 6.200 ( 7.031 -8.029 -1.327) 10.754 6.334 ( 2.056 -5.524 4.689) 7.532 6.670 ( 4.537 -2.928 0.169) 5.403 6.925 ( 7.210 4.540 -1.257) 8.613 7.261 ( -0.417 0.694 0.996) 1.284 7.551 ( -3.178 -9.201 1.833) 9.905 7.674 ( 3.442 -4.373 1.075) 5.668 7.769 ( -2.008 -9.972 2.703) 10.526 7.972 ( 2.307 -15.685 2.223) 16.009 8.014 ( -0.727 -14.856 2.414) 15.068 8.430 ( -6.161 -9.677 -2.813) 11.812 8.935 ( 8.170 -2.799 2.439) 8.974 9.069 ( -0.637 -2.898 -1.213) 3.205 9.202 ( 0.638 -4.367 2.190) 4.927 9.412 ( -9.756 -2.687 2.227) 10.361 9.727 ( -0.304 1.896 -3.928) 4.372 9.765 ( 1.625 -2.653 -9.286) 9.793 10.102 ( 3.557 -2.123 -10.349) 11.147 10.178 ( 4.972 1.316 -5.303) 7.388 10.265 ( -5.809 1.113 -10.623) 12.159 10.485 ( -1.465 4.885 4.951) 7.108 10.594 ( -1.462 2.000 -2.557) 3.560 10.668 ( -7.741 1.789 7.715) 11.075 10.806 ( 0.014 3.415 7.794) 8.510 10.977 ( 1.179 2.474 0.760) 2.844 11.136 ( -0.033 1.410 1.619) 2.148 11.437 ( 2.597 10.125 -10.042) 14.495 11.729 ( 0.450 2.363 4.503) 5.105 11.861 ( -1.495 -0.602 6.101) 6.311 12.030 ( -2.029 3.420 -0.146) 3.979 12.142 ( 0.347 3.310 2.151) 3.963 12.236 ( -2.546 0.013 -0.637) 2.625 12.494 ( -3.106 3.823 3.045) 5.792 12.656 ( 2.432 -1.011 -0.727) 2.732 12.777 ( 2.659 -2.222 -0.259) 3.475 12.878 ( 2.022 3.040 8.073) 8.860 13.015 ( 0.488 0.454 1.864) 1.980 13.475 ( -0.342 3.781 2.506) 4.549 13.652 ( -0.912 8.792 0.393) 8.848 13.722 ( 0.705 6.361 -2.230) 6.778 14.077 ( 2.252 7.091 -4.624) 8.760 ======================= Grid point 118 (53/140) ======================= q-point: (-0.33 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( -5.183 -4.699 7.099) 9.967 3.273 ( -11.494 -13.464 7.950) 19.406 3.645 ( 6.416 -14.890 8.108) 18.128 3.716 ( 0.501 4.668 1.135) 4.830 3.863 ( 3.626 -2.214 13.483) 14.136 4.284 ( 5.849 5.326 -0.729) 7.944 4.359 ( -6.257 16.169 2.611) 17.533 4.598 ( -0.625 15.384 2.866) 15.661 4.794 ( 3.015 -0.585 3.941) 4.996 5.117 ( 0.222 -3.793 -11.450) 12.064 5.500 ( -12.480 -5.615 -6.448) 15.128 5.726 ( 1.828 -2.251 -7.278) 7.834 6.098 ( -3.709 -4.196 -8.876) 10.495 6.349 ( 1.218 -2.964 0.401) 3.229 6.443 ( -0.102 -2.927 5.504) 6.235 6.718 ( 0.254 2.108 0.118) 2.126 6.912 ( 7.184 0.042 2.841) 7.725 7.243 ( 0.058 1.560 8.333) 8.478 7.641 ( -3.864 -3.438 5.781) 7.756 7.817 ( 3.864 -6.562 -4.823) 9.014 7.991 ( 2.074 -11.344 0.445) 11.541 8.302 ( 0.070 -14.349 2.864) 14.632 8.324 ( 3.162 -16.509 -4.053) 17.291 8.573 ( -1.579 -8.871 -4.620) 10.126 9.022 ( -3.052 -2.884 4.892) 6.447 9.129 ( 0.390 -1.777 -0.210) 1.831 9.254 ( -2.983 -4.363 3.489) 6.333 9.463 ( 1.188 -5.173 -3.385) 6.295 9.688 ( 1.229 0.965 -2.966) 3.352 9.862 ( 4.373 -6.448 -4.657) 9.077 10.100 ( -0.818 1.548 -7.936) 8.127 10.133 ( -0.371 3.551 -12.322) 12.829 10.195 ( 0.129 -0.631 -3.752) 3.807 10.405 ( -0.829 4.788 4.302) 6.490 10.481 ( 2.770 7.103 0.491) 7.640 10.621 ( -7.498 0.621 9.539) 12.149 10.818 ( 3.738 -1.046 6.569) 7.630 10.916 ( 0.835 4.969 -2.625) 5.681 11.101 ( 1.491 2.736 -2.497) 3.993 11.228 ( 1.593 8.426 -5.319) 10.091 11.590 ( -3.329 8.509 9.093) 12.891 11.914 ( -2.723 5.980 -1.393) 6.716 11.965 ( -2.389 -4.282 1.707) 5.192 12.146 ( 3.456 -0.812 2.117) 4.134 12.177 ( -7.196 0.455 -1.698) 7.408 12.393 ( -2.774 4.057 1.283) 5.079 12.689 ( 2.008 -0.384 -0.369) 2.077 12.802 ( 4.927 2.065 1.291) 5.496 12.897 ( -0.519 -1.229 4.480) 4.675 13.028 ( 1.368 -0.405 2.723) 3.074 13.397 ( -2.570 3.776 1.702) 4.874 13.509 ( -0.051 4.569 2.555) 5.235 13.590 ( 0.689 6.808 -1.252) 6.956 13.946 ( 1.404 6.836 -3.458) 7.789 ======================= Grid point 119 (54/140) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.134 ( -1.759 0.018 8.559) 8.738 3.451 ( -9.759 -7.112 11.318) 16.551 3.570 ( 0.985 5.521 3.639) 6.685 3.759 ( 0.093 10.464 -2.349) 10.725 3.997 ( 1.361 -3.251 11.761) 12.278 4.042 ( -10.652 5.770 5.092) 13.141 4.258 ( 4.727 -1.121 2.055) 5.275 4.402 ( 4.774 4.501 4.860) 8.165 4.990 ( 6.629 -12.718 2.621) 14.579 5.176 ( 1.207 -3.301 -14.208) 14.636 5.425 ( -9.815 -1.052 -9.665) 13.815 5.809 ( -1.290 3.567 7.459) 8.368 5.930 ( 6.662 9.916 -10.770) 16.084 6.386 ( -4.564 -3.776 -2.740) 6.527 6.469 ( -8.054 -2.672 1.247) 8.577 6.683 ( -4.128 0.482 1.348) 4.369 6.991 ( 7.491 1.306 2.804) 8.105 7.270 ( 2.927 -0.279 10.248) 10.661 7.658 ( -2.895 0.224 4.503) 5.358 7.934 ( 2.758 -3.939 -5.612) 7.390 8.188 ( 2.126 -6.329 -1.064) 6.761 8.479 ( -1.989 -3.917 -1.804) 4.749 8.602 ( 3.238 -8.115 -2.616) 9.121 8.678 ( 2.186 -3.062 -4.695) 6.017 9.056 ( -4.784 -2.581 5.534) 7.757 9.136 ( -2.266 -2.634 -0.167) 3.478 9.343 ( 0.743 -0.305 4.394) 4.467 9.533 ( 0.739 -2.777 0.713) 2.961 9.744 ( 2.147 -5.146 -4.692) 7.288 9.903 ( 3.193 6.836 -0.385) 7.555 9.999 ( 0.745 5.912 -6.992) 9.187 10.131 ( -0.362 -10.296 -7.865) 12.962 10.256 ( 3.458 -3.847 -3.599) 6.302 10.296 ( -5.858 1.356 0.089) 6.013 10.442 ( 5.556 3.623 5.306) 8.494 10.566 ( 1.043 0.956 1.286) 1.911 10.821 ( -1.667 2.166 -2.149) 3.477 10.918 ( 5.235 -2.642 1.181) 5.982 11.082 ( 1.748 -0.588 1.478) 2.364 11.125 ( -1.262 2.936 -1.521) 3.539 11.458 ( -3.209 5.034 12.985) 14.291 11.751 ( -4.619 8.134 3.214) 9.891 11.882 ( -9.666 4.602 -2.266) 10.942 12.158 ( 0.620 -1.214 -2.155) 2.550 12.234 ( 3.996 -3.893 -0.359) 5.590 12.306 ( -2.489 3.115 -1.103) 4.137 12.709 ( 2.195 -0.177 -0.025) 2.203 12.805 ( 2.809 2.385 5.321) 6.472 12.912 ( -2.133 -1.636 -2.484) 3.660 13.057 ( 0.736 -0.031 1.436) 1.614 13.316 ( -3.667 2.147 2.420) 4.890 13.469 ( -0.716 1.188 0.868) 1.636 13.542 ( 2.638 -1.824 1.653) 3.609 13.826 ( 0.638 5.503 -2.680) 6.153 ======================= Grid point 120 (55/140) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 5.824 23.230 10.460) 26.134 3.141 ( 1.293 28.842 12.039) 31.280 3.621 ( -4.107 -4.561 -1.930) 6.434 3.754 ( -2.056 -2.110 -6.513) 7.148 3.960 ( -6.402 -8.924 4.996) 12.066 4.090 ( -5.170 -9.101 7.956) 13.147 4.314 ( -0.758 -3.797 2.819) 4.790 4.527 ( 7.727 -0.175 8.535) 11.515 5.121 ( -5.661 3.238 -6.393) 9.132 5.243 ( 1.327 14.821 -1.406) 14.946 5.334 ( 6.495 -14.005 3.405) 15.809 5.631 ( -2.077 -2.882 -2.082) 4.118 6.033 ( 11.445 -2.343 -0.902) 11.717 6.379 ( -3.937 -0.247 -5.650) 6.891 6.429 ( -10.695 -2.604 -3.881) 11.672 6.594 ( -5.303 5.395 4.321) 8.712 6.983 ( 3.922 5.012 -1.092) 6.457 7.344 ( 3.511 -0.896 9.192) 9.881 7.612 ( -2.872 2.641 1.964) 4.368 7.962 ( 2.533 2.072 -6.443) 7.226 8.233 ( -1.182 1.832 -2.645) 3.428 8.416 ( -3.501 5.926 -2.895) 7.467 8.552 ( 0.078 10.539 -2.408) 10.810 8.772 ( 10.072 0.633 -2.465) 10.389 9.068 ( -3.802 -0.069 6.314) 7.370 9.130 ( -2.145 5.612 2.336) 6.446 9.315 ( -1.915 -0.072 0.125) 1.921 9.571 ( -4.740 0.950 3.767) 6.128 9.654 ( 5.744 7.312 1.032) 9.355 9.959 ( 7.995 -3.339 -8.240) 11.957 10.043 ( -0.747 -5.776 -0.532) 5.848 10.098 ( -3.320 0.698 3.309) 4.739 10.367 ( 3.270 -6.457 -2.568) 7.680 10.418 ( -0.868 -8.845 -7.940) 11.918 10.468 ( 1.736 -4.282 1.713) 4.928 10.641 ( 1.680 -5.873 -3.037) 6.822 10.820 ( -2.110 -3.179 0.190) 3.820 10.969 ( 1.855 0.505 -1.575) 2.486 11.072 ( -0.480 -0.708 -0.413) 0.950 11.168 ( -0.769 -4.911 5.269) 7.244 11.426 ( 1.250 1.115 13.320) 13.425 11.553 ( -4.756 8.749 6.182) 11.721 11.765 ( -6.476 -1.811 1.437) 6.876 12.151 ( 2.619 3.422 -4.312) 6.096 12.225 ( -1.138 2.601 0.382) 2.865 12.350 ( 4.780 -4.319 -2.703) 6.987 12.713 ( -1.296 1.190 1.224) 2.143 12.808 ( 1.073 0.624 0.714) 1.432 12.922 ( -2.991 -3.582 -3.887) 6.073 13.040 ( -0.079 1.396 0.126) 1.403 13.267 ( -2.186 1.301 4.678) 5.325 13.502 ( -0.324 -4.388 0.721) 4.458 13.625 ( 0.377 -2.581 -0.442) 2.646 13.764 ( 1.359 -0.963 -2.184) 2.746 ======================= Grid point 125 (56/140) ======================= q-point: ( 0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.738 ( 2.442 -0.000 11.093) 11.359 2.964 ( 3.305 -0.000 23.407) 23.639 3.416 ( -1.474 0.000 -13.116) 13.199 3.777 ( -5.609 0.000 4.529) 7.210 3.801 ( 9.741 -0.000 -18.257) 20.693 4.176 ( 15.159 -0.000 -20.566) 25.549 4.308 ( -6.400 0.000 24.602) 25.421 4.981 ( -6.498 0.000 9.583) 11.579 5.117 ( -9.792 0.000 13.281) 16.501 5.230 ( -4.670 0.000 -1.207) 4.824 5.640 ( -4.067 0.000 13.106) 13.723 5.682 ( -6.100 0.000 -16.751) 17.828 5.880 ( 11.971 -0.000 -5.298) 13.091 6.040 ( -2.954 0.000 -5.459) 6.207 6.252 ( 1.248 -0.000 -6.427) 6.547 6.589 ( 4.191 -0.000 2.773) 5.026 6.967 ( 9.349 -0.000 -7.152) 11.771 7.246 ( 4.114 -0.000 -2.053) 4.598 7.276 ( 3.468 -0.000 -6.795) 7.629 7.576 ( -0.535 0.000 7.269) 7.288 7.581 ( -1.436 0.000 8.324) 8.447 7.669 ( -3.766 0.000 6.466) 7.482 7.697 ( 0.272 -0.000 7.136) 7.141 8.205 ( -11.476 0.000 -0.375) 11.482 8.896 ( 13.524 -0.000 -1.705) 13.632 9.009 ( 1.482 -0.000 -2.292) 2.730 9.079 ( 0.648 -0.000 3.421) 3.482 9.365 ( -16.168 0.000 6.478) 17.418 9.740 ( -0.905 0.000 -11.405) 11.440 9.754 ( -0.317 0.000 -6.095) 6.103 10.054 ( 8.400 -0.000 -8.647) 12.055 10.157 ( 0.514 -0.000 -0.510) 0.725 10.330 ( 2.343 -0.000 -16.541) 16.706 10.533 ( -7.927 0.000 0.123) 7.928 10.603 ( -1.198 0.000 -0.037) 1.198 10.734 ( -2.314 0.000 -2.715) 3.567 10.943 ( 0.064 -0.000 4.297) 4.297 11.052 ( -0.610 0.000 10.289) 10.307 11.123 ( -1.851 0.000 6.147) 6.420 11.481 ( -1.032 0.000 1.284) 1.648 11.692 ( 4.157 -0.000 -5.235) 6.685 12.119 ( -3.098 0.000 -6.614) 7.304 12.127 ( -0.597 0.000 0.976) 1.144 12.155 ( -6.898 0.000 10.292) 12.389 12.244 ( 0.436 -0.000 -0.714) 0.837 12.609 ( 1.836 -0.000 -2.126) 2.809 12.617 ( 0.446 -0.000 4.981) 5.000 12.723 ( 4.218 -0.000 3.962) 5.787 12.924 ( -2.058 0.000 6.331) 6.657 13.052 ( 3.104 -0.000 1.801) 3.589 13.566 ( -0.380 0.000 3.061) 3.085 13.829 ( -0.759 0.000 -3.487) 3.569 13.876 ( 1.597 -0.000 0.017) 1.597 14.250 ( 3.010 -0.000 -6.659) 7.307 ======================= Grid point 126 (57/140) ======================= q-point: (-0.44 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.801 ( -15.907 -9.656 5.077) 19.289 2.962 ( -25.169 -4.499 7.679) 26.696 3.322 ( 15.163 8.008 7.079) 18.551 3.808 ( 12.418 3.364 -6.675) 14.494 3.869 ( 6.899 -2.655 4.774) 8.800 4.302 ( 15.530 -3.495 -15.106) 21.945 4.393 ( -9.823 -9.009 9.451) 16.340 4.902 ( -5.502 4.689 10.527) 12.770 5.109 ( -5.273 0.526 7.658) 9.313 5.166 ( -7.741 -1.285 -0.934) 7.902 5.456 ( -5.761 13.786 6.934) 16.472 5.625 ( -5.415 -4.047 -18.212) 19.426 5.935 ( -2.701 2.243 -6.778) 7.633 6.099 ( 7.119 -8.735 -0.488) 11.279 6.279 ( 2.754 -2.475 -2.097) 4.255 6.694 ( 10.496 -2.074 6.372) 12.453 7.011 ( 4.426 0.799 -6.612) 7.996 7.294 ( 4.930 -0.546 -3.438) 6.035 7.364 ( 0.506 -7.711 -0.650) 7.754 7.588 ( -5.981 -4.470 7.707) 10.730 7.625 ( -0.919 -3.046 6.836) 7.540 7.752 ( -0.944 -9.937 3.342) 10.526 7.808 ( 0.521 -7.535 6.478) 9.950 8.214 ( -1.564 -7.002 -1.633) 7.358 8.985 ( 3.063 0.602 0.621) 3.183 9.029 ( 5.268 -1.741 -1.805) 5.835 9.132 ( -0.838 -3.010 1.676) 3.545 9.270 ( -10.898 -2.950 3.334) 11.773 9.723 ( 2.060 -0.798 -9.261) 9.521 9.726 ( -0.180 0.131 -7.785) 7.788 10.107 ( 8.767 0.018 -9.949) 13.260 10.149 ( -5.219 -1.542 -2.429) 5.960 10.295 ( 7.242 3.254 -14.547) 16.573 10.482 ( -7.589 -1.504 2.479) 8.124 10.584 ( -0.930 0.970 2.046) 2.448 10.706 ( 0.711 1.696 -3.469) 3.926 10.910 ( 0.196 4.686 7.528) 8.870 11.032 ( 0.385 1.987 5.563) 5.920 11.156 ( -0.993 -0.536 6.118) 6.221 11.509 ( -0.354 -1.446 -2.394) 2.819 11.700 ( 2.406 0.064 -3.043) 3.880 11.980 ( -4.420 6.728 2.150) 8.333 12.059 ( -4.895 3.049 -5.486) 7.959 12.153 ( -5.265 -0.528 8.566) 10.068 12.240 ( 1.742 1.678 -2.394) 3.403 12.567 ( -0.759 3.883 2.600) 4.734 12.647 ( 0.735 -1.285 -0.430) 1.542 12.779 ( 3.049 -0.712 4.556) 5.529 12.921 ( -1.843 0.269 6.663) 6.919 13.075 ( 3.875 1.608 3.821) 5.675 13.542 ( -0.795 2.807 2.722) 3.990 13.771 ( -0.969 4.519 -2.417) 5.216 13.842 ( 1.806 4.698 -0.796) 5.095 14.202 ( 2.023 5.103 -6.027) 8.152 ======================= Grid point 127 (58/140) ======================= q-point: (-0.33 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( -23.925 -9.449 3.538) 25.965 2.880 ( -21.404 -12.343 3.326) 24.931 3.470 ( 7.768 -7.207 15.961) 19.158 3.847 ( 12.224 1.828 -6.416) 13.926 3.976 ( 9.565 2.538 17.797) 20.364 4.407 ( 2.090 0.445 -2.377) 3.196 4.457 ( -1.192 -0.421 -4.624) 4.793 4.790 ( -3.142 4.792 5.461) 7.915 4.999 ( 0.269 12.798 6.445) 14.332 5.077 ( -3.292 3.765 -2.790) 5.727 5.266 ( -10.179 -4.038 -4.251) 11.746 5.622 ( -1.486 -4.180 -15.276) 15.907 5.897 ( -4.610 -4.759 -7.853) 10.275 6.296 ( 4.659 -3.915 0.747) 6.131 6.374 ( 0.581 -6.463 3.734) 7.486 6.813 ( 4.177 2.881 2.076) 5.483 6.965 ( 1.930 1.120 1.098) 2.487 7.329 ( 5.495 1.779 3.909) 6.974 7.499 ( -3.816 -7.571 1.684) 8.644 7.732 ( 3.312 -6.633 1.030) 7.485 7.755 ( -1.769 -12.510 3.234) 13.042 8.014 ( -1.118 -16.071 2.547) 16.310 8.024 ( 0.927 -13.884 1.632) 14.010 8.387 ( 4.114 -9.129 -3.010) 10.456 8.955 ( -8.114 -0.706 2.525) 8.527 9.098 ( -2.827 -1.782 -0.489) 3.377 9.163 ( 0.707 -3.843 2.646) 4.719 9.356 ( 4.958 -5.870 -2.418) 8.055 9.702 ( 0.521 0.179 -5.364) 5.392 9.769 ( 3.062 -4.196 -8.285) 9.779 10.104 ( -5.127 0.334 -6.008) 7.905 10.129 ( 6.480 1.570 -11.039) 12.897 10.254 ( 7.726 4.059 -9.622) 12.990 10.469 ( -3.062 0.096 3.276) 4.485 10.566 ( -3.607 0.022 5.814) 6.842 10.651 ( 4.370 5.242 0.054) 6.825 10.868 ( 1.718 1.660 7.925) 8.277 11.010 ( 1.214 3.118 2.234) 4.024 11.149 ( 0.166 1.845 2.782) 3.342 11.405 ( 0.236 9.537 -9.227) 13.272 11.728 ( -3.359 3.345 3.180) 5.708 11.851 ( -2.739 -1.522 3.664) 4.822 11.954 ( -4.509 2.317 -4.809) 6.987 12.133 ( -7.518 0.960 9.118) 11.857 12.189 ( 2.085 2.837 -3.057) 4.663 12.476 ( -0.689 5.078 1.011) 5.223 12.683 ( 0.826 -1.911 -0.681) 2.190 12.819 ( 1.326 -0.549 2.614) 2.982 12.921 ( -1.535 0.331 6.382) 6.572 13.083 ( 3.734 2.228 4.924) 6.569 13.462 ( -2.509 4.715 1.313) 5.500 13.639 ( -0.431 7.307 0.201) 7.322 13.736 ( 1.814 7.293 -1.324) 7.631 14.079 ( 1.025 6.979 -4.546) 8.392 ======================= Grid point 128 (59/140) ======================= q-point: (-0.22 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -14.708 -14.418 5.995) 21.451 3.035 ( -18.304 -20.006 5.041) 27.580 3.677 ( -1.165 -2.381 10.978) 11.293 3.891 ( 9.804 2.994 2.642) 10.586 4.050 ( 5.303 1.726 13.816) 14.900 4.245 ( -5.388 13.067 0.726) 14.153 4.381 ( 3.589 6.889 3.860) 8.674 4.598 ( -2.695 12.486 6.132) 14.168 4.910 ( 6.662 -3.884 2.850) 8.221 5.101 ( 4.754 -2.684 -14.617) 15.603 5.230 ( -10.304 -4.277 -9.078) 14.383 5.705 ( -1.070 -7.418 -3.831) 8.417 5.948 ( -4.408 -6.396 -13.638) 15.695 6.346 ( -0.682 -0.318 2.286) 2.407 6.456 ( -1.478 3.671 3.503) 5.285 6.674 ( -4.450 3.002 0.948) 5.451 7.056 ( 5.470 -1.311 5.580) 7.923 7.354 ( 5.250 1.919 8.060) 9.809 7.588 ( -4.902 -4.868 2.075) 7.213 7.881 ( 5.341 -4.793 -0.936) 7.237 8.010 ( 0.244 -12.661 -0.266) 12.667 8.300 ( -1.946 -13.009 0.608) 13.167 8.345 ( 1.062 -17.263 -3.227) 17.595 8.577 ( 4.758 -7.281 -3.455) 9.359 8.938 ( -7.338 -4.848 3.300) 9.394 9.082 ( -3.840 -1.219 0.193) 4.034 9.300 ( 1.708 -6.721 4.418) 8.223 9.487 ( 4.562 -2.884 -3.040) 6.195 9.693 ( 1.197 0.130 -3.356) 3.565 9.875 ( -4.203 -7.766 -7.258) 11.430 10.040 ( 5.825 2.910 -4.835) 8.110 10.107 ( 4.657 2.008 -10.570) 11.724 10.232 ( 5.235 1.000 -6.873) 8.697 10.374 ( -2.574 7.826 1.795) 8.432 10.561 ( -4.035 -0.288 6.300) 7.487 10.628 ( 9.312 3.774 3.442) 10.621 10.906 ( 0.324 4.650 1.650) 4.945 10.932 ( 4.184 1.070 2.491) 4.986 11.114 ( 0.666 2.884 -1.149) 3.175 11.200 ( -1.004 6.867 -4.486) 8.264 11.573 ( -4.633 6.373 8.671) 11.716 11.838 ( -4.867 4.993 -0.511) 6.992 11.876 ( -10.373 3.064 3.768) 11.454 12.060 ( -3.505 -3.884 -0.554) 5.261 12.216 ( 3.338 -1.664 2.448) 4.462 12.380 ( 1.198 4.834 -2.891) 5.759 12.721 ( 0.860 -0.900 0.188) 1.259 12.849 ( -0.860 -2.021 0.351) 2.224 12.908 ( 0.758 2.487 3.583) 4.427 13.084 ( 1.983 1.654 4.213) 4.941 13.338 ( -4.486 4.327 1.082) 6.326 13.531 ( 0.920 4.408 2.054) 4.949 13.613 ( 1.976 5.891 -0.372) 6.225 13.940 ( 0.108 6.774 -3.186) 7.487 ======================= Grid point 129 (60/140) ======================= q-point: (-0.11 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.103 ( -7.545 -10.553 6.121) 14.344 3.325 ( -10.955 -18.208 9.063) 23.102 3.611 ( 1.205 6.288 3.934) 7.515 3.770 ( 1.570 17.093 1.327) 17.216 3.925 ( -4.388 8.141 3.559) 9.909 4.067 ( -0.910 5.469 11.118) 12.424 4.316 ( 1.529 3.012 4.495) 5.622 4.563 ( 5.196 -2.944 6.133) 8.560 5.054 ( -0.559 0.126 -11.484) 11.498 5.160 ( 6.046 -11.754 0.714) 13.238 5.281 ( 0.649 -5.238 -9.247) 10.647 5.721 ( -11.562 2.897 6.693) 13.670 6.023 ( 9.910 -5.676 -15.699) 19.414 6.293 ( -4.117 3.597 -2.291) 5.928 6.342 ( -4.096 0.931 3.523) 5.482 6.650 ( -2.621 1.423 5.291) 6.074 7.085 ( 1.653 2.699 2.545) 4.061 7.393 ( 3.204 0.463 8.291) 8.901 7.607 ( -4.690 -0.837 3.201) 5.739 7.986 ( 5.923 -1.500 -4.792) 7.765 8.192 ( -0.649 -5.379 -0.916) 5.495 8.407 ( -3.829 -2.462 -3.970) 6.040 8.604 ( 0.594 -5.709 -3.394) 6.668 8.731 ( 3.342 -7.764 -0.824) 8.493 9.029 ( -0.434 -5.116 1.674) 5.400 9.117 ( -0.387 -4.015 1.995) 4.500 9.391 ( 0.975 4.098 5.423) 6.867 9.497 ( -4.509 -2.012 0.962) 5.030 9.754 ( 1.633 -5.547 -3.484) 6.751 9.882 ( -3.996 -1.815 -7.901) 9.038 10.033 ( 5.785 5.122 0.014) 7.726 10.160 ( 7.744 -4.243 -6.460) 10.941 10.211 ( -2.246 4.525 -2.491) 5.633 10.292 ( 3.115 -5.245 -4.057) 7.326 10.504 ( -0.424 3.929 1.682) 4.295 10.657 ( 6.378 2.477 -0.491) 6.860 10.799 ( 0.041 2.549 -0.146) 2.554 10.958 ( 0.243 0.539 -5.204) 5.238 11.082 ( -1.021 0.318 0.032) 1.070 11.134 ( 0.469 0.537 7.345) 7.380 11.502 ( -2.836 1.749 14.786) 15.157 11.681 ( -8.123 4.934 4.781) 10.639 11.694 ( -5.779 4.662 0.235) 7.429 12.156 ( 0.469 -4.959 -1.846) 5.312 12.266 ( 0.632 1.989 -3.554) 4.122 12.324 ( 4.622 -0.523 0.762) 4.714 12.719 ( -2.554 0.712 0.914) 2.804 12.849 ( -1.487 0.900 -0.569) 1.829 12.881 ( 3.004 2.228 -0.987) 3.868 13.069 ( -0.342 1.637 1.794) 2.452 13.266 ( -3.120 0.283 2.571) 4.053 13.476 ( 0.472 1.797 1.222) 2.224 13.592 ( 2.132 -1.094 0.788) 2.523 13.811 ( -0.741 5.148 -2.180) 5.640 ======================= Grid point 135 (61/140) ======================= q-point: (-0.44 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -27.262 0.000 3.659) 27.506 2.682 ( -32.462 0.000 3.398) 32.639 3.546 ( 2.654 -0.000 1.818) 3.217 3.867 ( 10.033 -0.000 -11.195) 15.033 3.985 ( 17.911 -0.000 8.093) 19.654 4.236 ( -10.531 0.000 20.359) 22.922 4.355 ( 16.842 -0.000 -15.624) 22.973 4.945 ( -3.885 0.000 9.042) 9.841 5.007 ( -9.493 0.000 4.886) 10.677 5.147 ( -4.392 0.000 0.253) 4.399 5.463 ( -6.016 0.000 -20.985) 21.830 5.588 ( -9.332 0.000 11.955) 15.166 5.972 ( 1.315 -0.000 -4.640) 4.823 6.029 ( 7.180 -0.000 -1.905) 7.428 6.280 ( 5.964 -0.000 -5.547) 8.145 6.801 ( 12.677 -0.000 8.437) 15.228 7.019 ( 1.243 -0.000 -8.807) 8.894 7.282 ( -0.496 0.000 -3.058) 3.098 7.310 ( 3.947 -0.000 -0.815) 4.030 7.525 ( -4.734 0.000 6.302) 7.882 7.619 ( -4.537 0.000 9.894) 10.884 7.659 ( 2.153 -0.000 7.883) 8.171 7.714 ( -5.502 0.000 2.842) 6.193 8.180 ( 9.229 -0.000 0.060) 9.230 8.982 ( -2.524 0.000 -1.277) 2.828 9.014 ( -11.764 0.000 1.830) 11.906 9.105 ( -0.453 0.000 1.522) 1.588 9.221 ( 10.412 -0.000 -0.370) 10.419 9.698 ( -1.177 0.000 -7.085) 7.182 9.704 ( 1.759 -0.000 -11.177) 11.315 10.080 ( -4.449 0.000 -2.809) 5.262 10.171 ( 10.917 -0.000 -10.156) 14.910 10.361 ( 9.544 -0.000 -14.707) 17.532 10.405 ( -6.750 0.000 3.117) 7.435 10.596 ( -0.027 0.000 1.878) 1.878 10.716 ( 2.657 -0.000 -7.042) 7.526 10.979 ( -0.642 0.000 8.472) 8.496 11.113 ( 0.700 -0.000 9.745) 9.771 11.122 ( -1.978 0.000 6.093) 6.406 11.475 ( -0.231 0.000 0.553) 0.600 11.726 ( 2.735 -0.000 -4.875) 5.590 11.968 ( -7.990 0.000 -6.741) 10.454 12.021 ( -8.588 0.000 0.030) 8.588 12.150 ( -1.959 0.000 7.863) 8.103 12.273 ( 2.645 -0.000 -3.118) 4.088 12.610 ( -0.354 0.000 -2.229) 2.257 12.629 ( -1.835 0.000 4.281) 4.658 12.818 ( 2.590 -0.000 7.890) 8.305 12.924 ( -1.763 0.000 4.917) 5.224 13.133 ( 2.982 -0.000 5.016) 5.835 13.574 ( -0.686 0.000 2.808) 2.891 13.801 ( -0.361 0.000 -2.606) 2.631 13.901 ( 1.503 -0.000 -0.701) 1.659 14.250 ( 1.366 -0.000 -6.696) 6.834 ======================= Grid point 136 (62/140) ======================= q-point: (-0.33 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -31.360 -10.555 4.529) 33.398 2.468 ( -32.806 -7.744 1.009) 33.723 3.473 ( -11.321 -1.670 9.889) 15.125 3.934 ( 8.834 -0.866 -11.880) 14.830 4.183 ( 16.002 1.284 16.249) 22.842 4.263 ( -3.878 -2.607 11.014) 11.964 4.492 ( 14.343 -2.646 -12.108) 18.956 4.869 ( -4.093 4.240 6.413) 8.710 5.011 ( -6.940 -3.933 1.359) 8.092 5.087 ( -1.648 2.269 -1.787) 3.325 5.344 ( -6.265 8.168 -2.235) 10.534 5.472 ( -3.346 -1.208 -10.056) 10.667 5.910 ( 4.070 5.765 -2.894) 7.627 6.199 ( 3.193 -9.835 2.095) 10.550 6.332 ( 5.083 -0.660 -2.463) 5.686 6.898 ( 1.596 3.115 1.007) 3.642 6.984 ( 1.773 -0.817 -0.738) 2.088 7.324 ( -1.220 -5.892 -1.949) 6.324 7.384 ( 3.086 -3.433 0.266) 4.624 7.573 ( 0.102 -5.091 4.592) 6.857 7.635 ( -2.085 -4.292 5.963) 7.637 7.735 ( -4.827 -10.364 5.394) 12.641 7.826 ( 1.856 -8.555 3.867) 9.570 8.323 ( 12.141 -4.214 -0.510) 12.862 8.869 ( -13.531 0.829 1.907) 13.689 8.994 ( -6.979 -3.425 -0.929) 7.829 9.121 ( 0.105 -2.003 1.012) 2.247 9.365 ( 15.067 -2.091 -2.254) 15.378 9.676 ( -0.454 -0.719 -7.149) 7.199 9.694 ( -1.421 -2.087 -9.035) 9.381 10.059 ( 0.493 -0.476 -4.003) 4.061 10.214 ( 9.840 2.036 -11.105) 14.976 10.367 ( 6.827 2.816 -10.362) 12.724 10.403 ( -1.079 -2.391 1.749) 3.153 10.592 ( -0.062 1.494 3.813) 4.096 10.727 ( 4.408 -0.192 -5.827) 7.309 10.964 ( -0.455 3.457 10.464) 11.030 11.058 ( -0.808 2.076 4.885) 5.370 11.189 ( 0.504 -0.139 6.980) 7.000 11.486 ( -0.262 0.730 -3.871) 3.948 11.704 ( -0.399 0.881 -2.348) 2.539 11.885 ( -6.596 2.362 -0.168) 7.008 11.906 ( -7.862 1.550 -4.568) 9.224 12.141 ( -2.928 1.598 8.921) 9.524 12.258 ( 2.176 2.585 -3.377) 4.777 12.560 ( -1.206 3.649 1.155) 4.013 12.638 ( -1.445 -1.717 0.019) 2.245 12.849 ( 0.339 0.901 8.293) 8.348 12.922 ( -1.128 -0.064 3.554) 3.729 13.157 ( 1.850 1.110 5.337) 5.757 13.533 ( -1.768 3.978 1.457) 4.590 13.749 ( -0.164 4.375 -1.265) 4.557 13.866 ( 1.550 4.559 -1.069) 4.932 14.189 ( 0.531 4.882 -5.908) 7.682 ======================= Grid point 137 (63/140) ======================= q-point: (-0.22 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -27.404 -18.378 6.884) 33.707 2.469 ( -26.344 -19.299 2.158) 32.728 3.567 ( -9.231 -12.875 13.993) 21.137 3.997 ( 6.291 -1.112 -6.331) 8.994 4.202 ( 0.198 6.026 13.025) 14.353 4.319 ( 4.151 2.026 8.204) 9.415 4.543 ( 3.499 4.962 0.610) 6.102 4.767 ( -2.509 6.038 0.154) 6.540 4.954 ( -7.660 4.960 3.089) 9.634 5.055 ( 3.537 0.187 -13.306) 13.769 5.161 ( 2.909 2.750 4.411) 5.957 5.554 ( 3.274 -9.494 -17.357) 20.053 5.838 ( 2.685 3.742 -2.687) 5.332 6.358 ( 1.038 0.404 1.630) 1.974 6.412 ( 1.702 -8.040 3.910) 9.101 6.728 ( -8.545 6.692 -3.392) 11.371 7.079 ( 4.447 -2.085 5.155) 7.120 7.427 ( -5.667 -5.766 1.283) 8.186 7.451 ( 5.748 -0.498 2.613) 6.333 7.747 ( -0.779 -12.994 0.314) 13.022 7.802 ( 3.552 -8.542 3.067) 9.746 7.980 ( -3.632 -16.540 3.117) 17.219 8.053 ( 2.388 -12.566 -1.235) 12.850 8.509 ( 9.718 -5.139 -1.963) 11.167 8.788 ( -10.034 -3.317 2.375) 10.831 8.995 ( -7.399 -3.479 -0.015) 8.176 9.195 ( 1.005 -4.748 1.604) 5.111 9.501 ( 8.215 -1.874 -3.978) 9.318 9.682 ( 0.500 -2.117 -7.244) 7.564 9.713 ( -2.356 -2.904 -2.927) 4.749 10.083 ( 6.909 -0.459 -6.711) 9.643 10.195 ( 8.152 4.094 -10.720) 14.076 10.328 ( 6.426 4.311 -8.137) 11.229 10.447 ( -0.651 -0.661 2.016) 2.220 10.552 ( -1.443 2.745 5.625) 6.423 10.766 ( 7.893 1.182 -1.532) 8.127 10.950 ( 1.301 0.533 9.854) 9.954 11.033 ( 0.228 2.714 2.331) 3.585 11.172 ( 0.356 2.917 3.308) 4.425 11.347 ( -0.983 9.903 -8.398) 13.022 11.655 ( -6.272 5.166 1.822) 8.327 11.804 ( -5.312 -2.951 2.827) 6.702 11.840 ( -6.445 0.717 -0.378) 6.495 12.055 ( -4.577 5.244 4.625) 8.357 12.242 ( 3.650 0.442 1.361) 3.921 12.476 ( 0.760 4.636 -1.180) 4.844 12.674 ( -1.161 -3.225 -0.651) 3.489 12.834 ( -3.062 1.330 6.042) 6.903 12.933 ( 0.784 -0.418 1.450) 1.700 13.156 ( 1.074 1.835 5.266) 5.679 13.408 ( -3.951 6.129 -0.340) 7.300 13.646 ( 0.794 5.867 1.197) 6.041 13.759 ( 1.521 7.245 -1.219) 7.503 14.062 ( -0.009 6.751 -4.316) 8.013 ======================= Grid point 138 (64/140) ======================= q-point: (-0.11 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -19.084 -23.250 5.546) 30.587 2.750 ( -17.424 -27.586 5.254) 33.049 3.745 ( 0.997 -0.856 10.507) 10.589 4.007 ( 0.972 4.671 1.847) 5.116 4.093 ( -3.000 6.197 5.777) 8.988 4.272 ( 2.409 9.638 10.608) 14.534 4.446 ( 0.256 5.051 2.737) 5.751 4.563 ( -6.065 5.944 7.771) 11.511 4.887 ( -9.784 -7.847 -6.202) 13.991 5.079 ( 10.836 -0.062 -10.947) 15.404 5.247 ( 8.391 -3.391 -0.935) 9.099 5.674 ( -0.510 2.113 1.446) 2.611 5.836 ( 1.860 -8.565 -18.419) 20.398 6.355 ( -0.574 0.629 3.948) 4.039 6.454 ( 1.316 7.266 -0.588) 7.407 6.618 ( -3.554 -3.031 3.921) 6.098 7.129 ( -0.245 0.387 3.455) 3.485 7.435 ( -4.370 0.009 5.317) 6.882 7.539 ( 1.257 -3.239 2.566) 4.319 7.955 ( 2.745 -6.912 -4.462) 8.673 8.027 ( 3.207 -10.658 3.167) 11.572 8.246 ( -2.916 -9.904 -3.533) 10.912 8.330 ( -0.629 -17.983 -1.992) 18.104 8.653 ( 4.114 -3.989 -2.208) 6.141 8.876 ( -0.404 -9.850 2.505) 10.172 9.019 ( -4.700 -4.845 2.275) 7.124 9.312 ( -1.146 -6.088 3.068) 6.914 9.560 ( 1.375 -1.566 -4.227) 4.713 9.674 ( -2.011 3.166 2.482) 4.498 9.743 ( -1.296 -4.679 -7.771) 9.163 10.134 ( 5.992 -0.044 -11.803) 13.237 10.207 ( 12.182 1.041 -2.035) 12.395 10.272 ( 4.053 3.379 -8.064) 9.637 10.363 ( 0.237 7.636 3.546) 8.423 10.541 ( -1.829 0.360 3.391) 3.870 10.784 ( 6.860 3.697 -2.886) 8.310 10.911 ( -0.409 6.886 4.750) 8.375 11.021 ( 3.943 2.452 0.438) 4.664 11.087 ( -2.015 5.746 -2.238) 6.488 11.184 ( 0.034 1.550 1.302) 2.024 11.511 ( -6.904 2.551 4.465) 8.609 11.687 ( -13.979 5.934 9.878) 18.117 11.787 ( -2.291 3.133 3.951) 5.538 12.037 ( 0.548 -4.665 -1.650) 4.979 12.287 ( 3.759 -0.384 -0.369) 3.797 12.401 ( 3.146 3.839 -1.341) 5.141 12.699 ( -3.629 -0.268 -0.209) 3.645 12.813 ( -2.565 -1.363 0.879) 3.035 12.953 ( 2.674 0.299 -0.086) 2.692 13.130 ( 0.729 3.522 3.627) 5.108 13.270 ( -4.167 3.283 1.940) 5.648 13.564 ( 1.827 4.843 1.194) 5.312 13.639 ( 1.164 4.755 -0.586) 4.930 13.916 ( -0.829 6.982 -2.930) 7.617 ======================= Grid point 145 (65/140) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -35.053 0.000 6.280) 35.611 2.077 ( -37.795 0.000 0.236) 37.796 3.197 ( -42.538 0.000 10.978) 43.931 3.952 ( 7.625 -0.000 -12.192) 14.380 4.374 ( 10.110 -0.000 17.236) 19.982 4.383 ( 19.168 -0.000 12.105) 22.670 4.536 ( 11.825 -0.000 -16.436) 20.248 4.875 ( -3.021 0.000 -3.173) 4.381 4.949 ( -1.440 0.000 7.853) 7.984 5.107 ( -1.305 0.000 4.090) 4.294 5.267 ( -1.429 0.000 -22.268) 22.314 5.503 ( -8.540 0.000 12.746) 15.343 6.027 ( 5.980 -0.000 -1.557) 6.179 6.106 ( 3.024 -0.000 -0.674) 3.098 6.369 ( 6.594 -0.000 -4.004) 7.714 6.889 ( -10.013 0.000 -7.935) 12.776 7.025 ( 7.467 -0.000 5.302) 9.158 7.234 ( -2.957 0.000 -1.273) 3.220 7.351 ( 0.706 -0.000 -1.188) 1.382 7.543 ( 2.705 -0.000 4.054) 4.873 7.575 ( -5.111 0.000 8.846) 10.217 7.621 ( -2.834 0.000 -2.782) 3.971 7.801 ( 6.244 -0.000 12.061) 13.581 8.400 ( 13.474 -0.000 -1.412) 13.548 8.760 ( -14.418 0.000 0.833) 14.442 8.892 ( -7.530 0.000 0.345) 7.538 9.101 ( 0.856 -0.000 -1.097) 1.392 9.462 ( 8.974 -0.000 -4.929) 10.239 9.630 ( 1.715 -0.000 -6.412) 6.637 9.649 ( -0.196 0.000 -4.970) 4.974 10.075 ( 6.237 -0.000 -3.554) 7.178 10.268 ( 3.885 -0.000 -6.344) 7.439 10.376 ( 3.670 -0.000 -0.464) 3.700 10.454 ( 10.737 -0.000 -14.034) 17.670 10.629 ( 1.834 -0.000 4.633) 4.982 10.727 ( 3.190 -0.000 -7.871) 8.493 10.981 ( -5.800 0.000 9.928) 11.498 11.155 ( 1.699 -0.000 7.653) 7.839 11.176 ( 0.551 -0.000 7.665) 7.684 11.474 ( 0.156 -0.000 -2.269) 2.275 11.723 ( -0.138 0.000 -3.576) 3.578 11.798 ( -7.528 0.000 -4.120) 8.582 11.872 ( -7.994 0.000 -0.788) 8.033 12.168 ( -1.217 0.000 7.656) 7.752 12.288 ( 1.593 -0.000 -4.035) 4.338 12.572 ( -2.860 0.000 -1.288) 3.136 12.619 ( -1.171 0.000 2.548) 2.804 12.884 ( -2.534 0.000 12.029) 12.293 12.926 ( 0.784 -0.000 1.329) 1.543 13.189 ( 0.068 -0.000 4.750) 4.751 13.570 ( -1.227 0.000 0.595) 1.364 13.788 ( 0.080 -0.000 -1.326) 1.328 13.919 ( 1.248 -0.000 -1.099) 1.663 14.221 ( -0.235 0.000 -6.494) 6.498 ======================= Grid point 146 (66/140) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -33.524 -14.112 9.679) 37.639 1.886 ( -34.851 -13.804 1.765) 37.526 3.024 ( -42.993 -19.471 16.222) 49.907 3.987 ( 4.959 -1.064 -10.885) 12.009 4.408 ( 8.683 8.540 7.092) 14.093 4.486 ( 7.183 2.325 3.893) 8.495 4.622 ( 7.932 0.927 -1.647) 8.154 4.845 ( 0.168 3.507 4.911) 6.037 4.974 ( -0.371 0.297 6.251) 6.269 5.091 ( 5.560 1.830 -5.096) 7.761 5.267 ( 2.243 -2.231 -10.731) 11.188 5.391 ( -2.988 2.400 0.589) 3.878 6.014 ( 7.982 6.018 -0.213) 9.999 6.234 ( -0.342 -9.341 1.559) 9.476 6.404 ( 4.117 0.547 -1.435) 4.394 6.729 ( -11.286 3.807 -6.711) 13.672 7.089 ( 2.389 -1.048 3.185) 4.117 7.265 ( -4.638 -5.449 -0.143) 7.157 7.415 ( 0.168 -6.953 -1.725) 7.166 7.608 ( 0.957 -1.447 0.058) 1.736 7.662 ( 4.363 -7.864 1.964) 9.206 7.683 ( -3.412 -11.070 5.330) 12.751 7.935 ( 5.113 -4.684 8.102) 10.664 8.518 ( 8.726 -2.511 -4.072) 9.951 8.665 ( -8.659 -1.616 1.076) 8.874 8.856 ( -8.346 -2.784 2.706) 9.205 9.144 ( 3.541 -2.924 -1.866) 4.957 9.444 ( -8.238 -1.993 -8.131) 11.745 9.636 ( 1.263 -0.241 -4.348) 4.534 9.730 ( 12.998 -1.241 0.481) 13.066 10.133 ( 9.528 0.068 -5.316) 10.911 10.276 ( 2.574 0.168 -6.986) 7.447 10.400 ( 4.505 1.679 -0.768) 4.869 10.485 ( 9.737 2.037 -10.459) 14.434 10.622 ( 0.851 2.903 3.738) 4.809 10.784 ( 5.285 -3.574 -4.010) 7.536 10.966 ( -6.081 -1.052 10.106) 11.841 11.103 ( 2.749 4.330 5.428) 7.468 11.240 ( 0.654 0.930 5.759) 5.870 11.446 ( -0.979 2.823 -7.810) 8.362 11.670 ( -2.308 1.407 0.576) 2.764 11.764 ( -6.652 3.049 -0.611) 7.343 11.774 ( -5.430 -1.641 -0.082) 5.673 12.136 ( -3.118 4.268 6.685) 8.522 12.283 ( 2.586 0.578 -1.343) 2.970 12.539 ( -1.562 1.108 -0.237) 1.930 12.614 ( -0.949 -0.613 0.867) 1.424 12.863 ( -4.567 2.232 9.298) 10.597 12.938 ( 1.197 0.080 1.240) 1.725 13.190 ( -1.279 0.601 4.595) 4.807 13.488 ( -3.620 5.752 -2.217) 7.149 13.751 ( 0.639 3.659 -0.087) 3.716 13.883 ( 1.151 4.424 -1.207) 4.728 14.156 ( -0.515 4.297 -5.442) 6.953 ======================= Grid point 147 (67/140) ======================= q-point: (-0.11 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -25.877 -24.490 9.401) 36.848 2.050 ( -23.390 -28.163 4.813) 36.924 3.311 ( -26.795 -34.687 18.393) 47.534 3.991 ( -0.167 0.318 -8.029) 8.037 4.304 ( 5.434 10.519 7.156) 13.834 4.482 ( 0.595 1.390 -2.351) 2.795 4.542 ( 1.361 10.641 5.619) 12.111 4.713 ( -2.893 10.681 3.996) 11.765 4.865 ( -5.822 9.265 8.185) 13.665 5.151 ( 14.304 -0.631 -12.395) 18.938 5.278 ( 5.624 -0.343 6.965) 8.959 5.527 ( 5.724 -12.119 -17.755) 22.246 5.940 ( 7.967 9.746 0.673) 12.605 6.350 ( -2.864 -2.146 1.674) 3.950 6.468 ( 2.050 -5.587 2.787) 6.571 6.563 ( -6.897 2.472 -4.372) 8.532 7.118 ( -2.574 -0.969 1.992) 3.396 7.324 ( -6.717 -5.045 1.724) 8.576 7.550 ( 4.420 -2.055 0.394) 4.890 7.714 ( -1.843 -12.497 -3.311) 13.059 7.898 ( 6.205 -10.824 1.322) 12.546 7.945 ( -2.433 -16.653 3.136) 17.119 8.086 ( 1.460 -6.559 0.238) 6.723 8.602 ( 0.543 -3.570 -4.678) 5.909 8.717 ( 0.248 -7.216 2.320) 7.584 8.883 ( -3.933 -4.550 5.324) 8.032 9.241 ( 3.106 -3.547 -0.474) 4.738 9.405 ( -9.499 -4.830 -5.399) 11.946 9.655 ( 1.202 -2.434 -6.085) 6.663 9.819 ( 8.495 3.949 4.209) 10.270 10.174 ( 5.993 1.821 -9.188) 11.120 10.289 ( 8.718 -0.434 -8.594) 12.250 10.376 ( 3.407 4.039 0.691) 5.329 10.478 ( 3.683 3.336 -0.973) 5.064 10.585 ( 2.405 3.244 2.598) 4.801 10.863 ( 4.597 0.118 -4.850) 6.684 10.969 ( -5.714 -0.828 10.015) 11.560 11.083 ( 3.495 1.939 2.631) 4.785 11.200 ( 1.207 3.085 1.686) 3.717 11.286 ( -0.462 10.419 -6.559) 12.321 11.547 ( -7.158 6.434 0.925) 9.669 11.694 ( -8.490 2.463 4.126) 9.756 11.769 ( -3.844 -2.065 6.454) 7.791 12.034 ( -0.635 3.273 1.880) 3.827 12.313 ( 4.000 -0.362 -1.048) 4.150 12.500 ( 2.757 3.404 1.033) 4.501 12.641 ( -2.618 -2.535 -0.249) 3.653 12.789 ( -4.719 1.694 3.505) 6.117 12.956 ( 0.975 -0.820 0.070) 1.276 13.179 ( -1.631 0.446 4.980) 5.259 13.329 ( -4.241 5.706 -1.846) 7.345 13.674 ( 1.571 4.858 0.781) 5.165 13.772 ( 0.832 7.357 -1.476) 7.550 14.033 ( -0.408 6.494 -3.938) 7.605 ======================= Grid point 155 (68/140) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -38.838 0.000 5.977) 39.295 1.437 ( -36.046 0.000 14.698) 38.928 2.414 ( -56.688 0.000 24.402) 61.717 3.980 ( 4.105 -0.000 -13.731) 14.331 4.472 ( -1.674 0.000 -23.841) 23.900 4.645 ( 8.518 -0.000 12.814) 15.387 4.736 ( 13.239 -0.000 11.602) 17.603 4.955 ( 5.926 -0.000 11.326) 12.783 4.968 ( -1.259 0.000 5.399) 5.544 5.163 ( 8.126 -0.000 -3.284) 8.765 5.200 ( 7.726 -0.000 -17.037) 18.707 5.432 ( -8.482 0.000 13.204) 15.694 6.122 ( -0.968 0.000 -1.931) 2.160 6.132 ( 6.542 -0.000 -1.057) 6.627 6.441 ( 4.008 -0.000 -2.686) 4.825 6.643 ( -11.162 0.000 -9.322) 14.543 7.096 ( -2.269 0.000 2.755) 3.569 7.163 ( -4.878 0.000 0.398) 4.894 7.311 ( -2.634 0.000 -3.547) 4.418 7.572 ( -1.508 0.000 9.725) 9.841 7.576 ( 2.615 -0.000 -7.025) 7.496 7.681 ( 8.734 -0.000 2.420) 9.063 7.965 ( 3.190 -0.000 10.483) 10.958 8.510 ( -1.143 0.000 -7.154) 7.245 8.587 ( -4.601 0.000 1.014) 4.712 8.796 ( -2.633 0.000 5.576) 6.166 9.148 ( 6.718 -0.000 -3.582) 7.614 9.307 ( -12.215 0.000 -7.043) 14.100 9.635 ( 0.313 -0.000 -1.440) 1.473 9.854 ( 15.786 -0.000 0.784) 15.805 10.213 ( 11.422 -0.000 -4.081) 12.129 10.250 ( -2.406 0.000 -1.301) 2.735 10.473 ( 7.656 -0.000 -4.113) 8.691 10.564 ( 10.821 -0.000 -13.133) 17.016 10.713 ( 3.732 -0.000 6.721) 7.688 10.723 ( -0.079 0.000 -5.186) 5.187 10.926 ( -4.826 0.000 8.067) 9.400 11.213 ( -0.122 0.000 4.324) 4.326 11.247 ( 2.694 -0.000 9.085) 9.476 11.413 ( -3.584 0.000 -11.827) 12.358 11.691 ( -1.944 0.000 -1.246) 2.309 11.701 ( -3.453 0.000 5.690) 6.656 11.752 ( -4.574 0.000 -1.973) 4.982 12.180 ( -2.781 0.000 7.092) 7.618 12.303 ( 3.023 -0.000 -1.083) 3.211 12.504 ( -4.334 0.000 0.126) 4.336 12.628 ( 1.338 -0.000 0.781) 1.549 12.869 ( -4.714 0.000 6.770) 8.250 12.962 ( 0.608 -0.000 4.886) 4.923 13.192 ( -2.212 0.000 3.650) 4.268 13.513 ( -4.595 0.000 -6.796) 8.204 13.785 ( 0.133 -0.000 -0.775) 0.787 13.932 ( 0.910 -0.000 -0.977) 1.335 14.175 ( -0.905 0.000 -5.544) 5.617 ======================= Grid point 156 (69/140) ======================= q-point: (-0.11 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( -30.151 -21.238 9.484) 38.080 1.379 ( -29.859 -18.944 18.567) 39.939 2.372 ( -44.175 -34.124 30.157) 63.446 3.964 ( 0.916 0.391 -14.793) 14.827 4.382 ( -1.125 -0.275 -22.423) 22.453 4.630 ( 5.280 9.623 12.765) 16.835 4.804 ( 5.860 7.211 7.905) 12.200 4.894 ( -0.642 7.202 7.255) 10.242 5.010 ( -2.286 5.246 15.217) 16.257 5.239 ( 14.801 -0.244 -9.027) 17.339 5.324 ( 8.751 -5.052 -2.985) 10.536 5.365 ( 0.066 -1.243 -1.024) 1.612 6.147 ( 5.873 3.522 -0.250) 6.853 6.192 ( -4.080 -7.938 -1.485) 9.048 6.450 ( 0.981 0.781 -0.460) 1.336 6.518 ( -6.034 1.081 -8.453) 10.441 7.065 ( -6.138 -0.833 0.784) 6.244 7.179 ( -5.313 -4.794 1.244) 7.263 7.390 ( 0.075 -10.678 -3.662) 11.288 7.609 ( 2.353 -1.618 -9.057) 9.496 7.681 ( -1.869 -9.390 8.234) 12.628 7.803 ( 9.426 -4.466 2.729) 10.781 8.025 ( -0.241 -2.920 5.152) 5.927 8.486 ( -7.677 -3.669 -6.092) 10.465 8.618 ( 2.030 -3.768 3.813) 5.732 8.838 ( 2.821 -2.717 5.239) 6.541 9.189 ( -6.547 -1.211 -4.831) 8.227 9.255 ( 2.938 -4.073 -3.244) 5.978 9.630 ( -0.147 0.040 -1.759) 1.766 9.970 ( 11.483 1.692 3.454) 12.110 10.213 ( -1.464 0.990 -3.383) 3.817 10.315 ( 9.244 -0.998 -4.656) 10.398 10.497 ( 6.940 3.127 -1.460) 7.751 10.577 ( 5.658 3.751 -5.723) 8.879 10.664 ( 2.794 1.492 -0.830) 3.274 10.830 ( 0.270 -4.568 1.145) 4.717 10.922 ( -3.922 0.053 5.230) 6.537 11.176 ( 2.239 3.620 3.728) 5.658 11.259 ( -0.247 1.715 -0.706) 1.871 11.379 ( -1.438 0.545 -4.079) 4.360 11.617 ( -4.141 5.083 -1.702) 6.774 11.684 ( -2.188 2.026 -0.699) 3.063 11.725 ( -2.652 -1.666 8.112) 8.695 12.112 ( -3.729 4.895 5.765) 8.432 12.344 ( 5.623 0.080 -0.503) 5.646 12.513 ( -0.981 -3.793 1.539) 4.209 12.626 ( 1.431 1.935 1.195) 2.687 12.803 ( -7.163 3.468 2.805) 8.438 12.961 ( 0.270 1.088 2.392) 2.641 13.171 ( -3.915 0.344 4.939) 6.312 13.370 ( -6.837 4.222 -7.030) 10.676 13.764 ( 1.087 2.648 -1.005) 3.034 13.892 ( 0.690 4.499 -0.998) 4.660 14.118 ( -0.364 3.677 -4.344) 5.703 ======================= Grid point 165 (70/140) ======================= q-point: (-0.11 -0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -26.793 0.000 28.276) 38.954 0.986 ( -28.792 0.000 30.259) 41.768 1.656 ( -50.193 0.000 46.893) 68.690 3.941 ( 2.257 -0.000 -17.929) 18.071 4.292 ( -1.061 0.000 -27.282) 27.302 4.797 ( 0.721 -0.000 11.455) 11.478 4.917 ( 1.766 -0.000 0.567) 1.854 5.003 ( 1.936 -0.000 11.999) 12.154 5.113 ( 2.560 -0.000 18.558) 18.734 5.330 ( 13.590 -0.000 -6.141) 14.913 5.337 ( 12.229 -0.000 -7.401) 14.294 5.362 ( -6.694 0.000 12.952) 14.580 6.026 ( -6.829 0.000 -8.274) 10.728 6.221 ( 4.234 -0.000 -1.338) 4.441 6.439 ( -4.509 0.000 -4.755) 6.553 6.492 ( 2.558 -0.000 -7.014) 7.467 6.988 ( -9.896 0.000 0.814) 9.929 7.089 ( -4.000 0.000 1.872) 4.416 7.273 ( 1.537 -0.000 -5.049) 5.278 7.580 ( 3.774 -0.000 -12.944) 13.483 7.618 ( -0.326 0.000 11.543) 11.547 7.881 ( 12.097 -0.000 2.912) 12.443 7.979 ( -4.823 0.000 4.109) 6.336 8.338 ( -11.582 0.000 -4.092) 12.284 8.630 ( 4.259 -0.000 4.621) 6.284 8.839 ( 2.621 -0.000 4.534) 5.237 9.090 ( -7.510 0.000 -0.537) 7.529 9.275 ( 9.615 -0.000 -5.175) 10.919 9.620 ( -2.466 0.000 -0.170) 2.472 10.097 ( 10.863 -0.000 4.625) 11.807 10.189 ( -3.585 0.000 0.487) 3.618 10.376 ( 8.079 -0.000 -5.417) 9.727 10.586 ( 7.177 -0.000 -0.595) 7.202 10.654 ( -5.502 0.000 1.332) 5.661 10.672 ( 9.671 -0.000 -10.543) 14.307 10.777 ( -1.480 0.000 0.928) 1.747 10.938 ( 2.106 -0.000 2.361) 3.164 11.231 ( 1.720 -0.000 -1.043) 2.011 11.264 ( -4.409 0.000 -6.260) 7.657 11.332 ( 0.467 -0.000 10.217) 10.228 11.635 ( -2.967 0.000 -1.898) 3.522 11.703 ( -0.486 0.000 -1.922) 1.983 11.710 ( -1.673 0.000 8.891) 9.047 12.152 ( -4.318 0.000 5.357) 6.880 12.406 ( 3.022 -0.000 -1.011) 3.186 12.461 ( 5.234 -0.000 3.311) 6.194 12.667 ( 2.327 -0.000 0.265) 2.342 12.776 ( -9.084 0.000 -4.238) 10.024 13.018 ( 2.971 -0.000 8.995) 9.473 13.163 ( -3.014 0.000 2.656) 4.018 13.285 ( -15.537 0.000 -11.131) 19.113 13.782 ( 0.223 -0.000 -1.151) 1.172 13.939 ( 0.379 -0.000 -0.492) 0.621 14.141 ( 0.238 -0.000 -3.692) 3.699 ======================= Grid point 166 (71/140) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -4.038 0.000 39.483) 39.689 1.781 ( -3.404 0.000 39.720) 39.866 2.826 ( 1.188 -0.000 45.023) 45.038 3.295 ( 2.969 -0.000 -30.773) 30.916 3.550 ( 0.733 -0.000 -16.998) 17.014 4.852 ( -0.900 0.000 -7.636) 7.689 5.021 ( -11.934 0.000 9.895) 15.502 5.260 ( 2.777 -0.000 -1.883) 3.355 5.377 ( 11.118 -0.000 -1.235) 11.186 5.381 ( -8.388 0.000 -17.365) 19.285 5.509 ( 4.048 -0.000 6.490) 7.648 5.621 ( 8.798 -0.000 5.307) 10.275 5.754 ( -7.535 0.000 18.694) 20.155 6.197 ( 6.453 -0.000 -11.414) 13.112 6.244 ( -1.880 0.000 3.286) 3.785 6.416 ( -2.826 0.000 0.611) 2.891 6.714 ( -7.579 0.000 -6.822) 10.197 7.049 ( 5.616 -0.000 -12.239) 13.466 7.149 ( -0.231 0.000 -3.935) 3.942 7.159 ( -0.815 0.000 -10.030) 10.063 7.871 ( -3.664 0.000 8.886) 9.611 7.972 ( -7.279 0.000 2.705) 7.765 8.066 ( -2.144 0.000 -0.417) 2.185 8.163 ( 8.725 -0.000 -2.965) 9.215 8.713 ( -5.238 0.000 6.007) 7.970 8.998 ( 6.390 -0.000 -2.458) 6.847 9.283 ( -0.030 0.000 1.690) 1.690 9.330 ( 11.849 -0.000 5.687) 13.143 9.561 ( -6.697 0.000 4.559) 8.102 10.035 ( -7.185 0.000 -11.042) 13.174 10.231 ( -1.619 0.000 4.360) 4.651 10.311 ( -1.254 0.000 -2.595) 2.882 10.624 ( 4.266 -0.000 -4.493) 6.196 10.643 ( 4.890 -0.000 -4.234) 6.468 10.690 ( 2.846 -0.000 2.415) 3.732 10.736 ( 0.506 -0.000 0.576) 0.767 11.129 ( -0.297 0.000 7.077) 7.083 11.177 ( -0.175 0.000 0.229) 0.288 11.348 ( 5.691 -0.000 2.640) 6.274 11.481 ( -7.761 0.000 -0.215) 7.764 11.618 ( -0.832 0.000 0.431) 0.937 11.686 ( 4.971 -0.000 7.216) 8.762 11.836 ( 1.616 -0.000 -0.234) 1.633 12.048 ( -7.439 0.000 -10.732) 13.058 12.229 ( -3.421 0.000 7.131) 7.909 12.511 ( -0.446 0.000 0.334) 0.557 12.631 ( 0.320 -0.000 -2.616) 2.636 12.699 ( 0.821 -0.000 -0.390) 0.909 13.124 ( 4.827 -0.000 2.270) 5.334 13.148 ( -5.764 0.000 0.790) 5.818 13.409 ( 1.776 -0.000 9.242) 9.411 13.722 ( 1.326 -0.000 -4.292) 4.492 13.937 ( -0.453 0.000 0.506) 0.679 14.047 ( 1.262 -0.000 -4.327) 4.507 ======================= Grid point 167 (72/140) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 4.455 -11.107 33.988) 36.033 2.027 ( 4.544 -12.096 37.586) 39.744 3.094 ( 6.865 -7.700 1.519) 10.427 3.279 ( 2.383 -4.831 -24.171) 24.764 3.653 ( 2.374 -13.693 13.084) 19.087 4.798 ( -7.123 3.607 1.221) 8.077 4.888 ( -12.902 4.785 9.749) 16.865 5.154 ( 1.938 12.529 1.700) 12.791 5.232 ( -0.190 -2.166 -20.949) 21.061 5.375 ( 0.422 9.389 8.485) 12.663 5.543 ( 8.934 0.664 -8.813) 12.567 5.672 ( 3.949 1.760 0.691) 4.378 5.868 ( -1.473 -9.036 9.652) 13.303 6.207 ( -4.231 2.085 -2.549) 5.362 6.292 ( 5.149 -4.603 -0.521) 6.926 6.410 ( -7.059 -4.225 5.955) 10.156 6.633 ( -2.542 1.683 -9.276) 9.764 7.126 ( 6.392 -6.646 -15.789) 18.284 7.173 ( 0.342 -6.007 -1.029) 6.104 7.275 ( 1.061 -10.642 -5.241) 11.910 7.902 ( -4.327 -4.555 7.940) 10.125 7.947 ( -5.223 -3.010 3.209) 6.829 8.066 ( -5.115 -3.761 0.982) 6.425 8.288 ( 11.943 -3.747 -3.833) 13.091 8.734 ( -4.610 -4.595 6.242) 9.019 9.077 ( 5.780 -2.765 -2.958) 7.057 9.277 ( -6.267 -1.712 0.580) 6.522 9.446 ( 10.588 -0.165 3.460) 11.140 9.547 ( -1.749 -1.625 5.352) 5.861 9.927 ( -8.782 0.903 -6.506) 10.966 10.233 ( -4.202 -1.223 4.930) 6.592 10.260 ( -1.404 2.223 -6.111) 6.652 10.601 ( -2.384 1.996 -3.913) 4.998 10.647 ( 2.015 1.424 -4.355) 5.005 10.708 ( 0.201 1.663 1.071) 1.988 10.785 ( 3.646 -3.402 -0.009) 4.987 11.129 ( -2.372 2.097 2.516) 4.044 11.156 ( -0.504 1.459 2.930) 3.312 11.315 ( -0.887 6.032 2.647) 6.646 11.408 ( -0.498 3.587 -2.206) 4.241 11.587 ( 1.330 1.773 1.603) 2.735 11.700 ( 6.385 5.300 5.559) 9.988 11.904 ( 2.151 -4.266 2.193) 5.257 12.020 ( 0.814 -1.971 -6.130) 6.491 12.222 ( -2.158 0.354 6.032) 6.416 12.526 ( -0.002 -0.958 -4.263) 4.369 12.571 ( -0.438 4.626 2.577) 5.313 12.707 ( -1.403 -0.677 -1.121) 1.919 13.067 ( -3.125 2.636 0.631) 4.137 13.138 ( 0.524 2.189 2.077) 3.063 13.439 ( 2.592 1.612 7.454) 8.054 13.712 ( 1.785 1.474 -4.075) 4.687 13.882 ( -0.935 4.935 0.633) 5.063 14.003 ( 1.273 4.206 -4.759) 6.477 ======================= Grid point 168 (73/140) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 11.132 -21.424 24.035) 34.067 2.472 ( 7.676 -17.662 30.828) 36.349 3.208 ( 5.717 -4.925 -20.451) 21.799 3.321 ( 1.756 -5.986 -24.243) 25.033 4.153 ( -0.920 -23.588 28.379) 36.913 4.598 ( -7.479 9.168 8.182) 14.385 4.691 ( -11.604 6.517 11.352) 17.492 4.925 ( 2.430 14.278 2.774) 14.746 5.172 ( -3.781 10.241 1.716) 11.051 5.246 ( 2.549 4.556 -0.073) 5.221 5.589 ( 8.937 -6.673 -21.982) 24.650 5.663 ( 5.105 3.629 -8.530) 10.583 6.013 ( -3.219 -0.572 -2.297) 3.996 6.110 ( -1.093 -2.331 6.155) 6.672 6.398 ( 1.476 2.382 -3.662) 4.611 6.459 ( -11.193 -8.150 9.754) 16.936 6.631 ( 2.876 -6.597 -3.634) 8.062 7.301 ( 5.374 -9.687 -13.000) 17.080 7.350 ( 3.784 -9.020 3.868) 10.519 7.487 ( 0.165 -11.157 -5.599) 12.484 7.984 ( -4.681 -5.793 0.699) 7.481 8.048 ( -1.329 -8.854 5.114) 10.311 8.146 ( -3.720 -8.529 4.183) 10.202 8.470 ( 10.475 -6.136 -5.312) 13.251 8.837 ( -4.124 -8.180 5.973) 10.936 9.134 ( -5.807 -3.080 0.792) 6.620 9.281 ( 0.101 -2.321 -0.091) 2.325 9.527 ( 6.199 -0.317 0.036) 6.207 9.622 ( 1.513 -4.160 3.228) 5.479 9.829 ( -5.752 1.184 -2.706) 6.466 10.159 ( -2.361 3.890 -6.069) 7.586 10.253 ( -4.090 -2.628 2.493) 5.464 10.486 ( -5.085 5.526 -3.804) 8.418 10.584 ( 0.064 4.457 -7.769) 8.957 10.650 ( -0.210 4.402 3.086) 5.380 10.875 ( 3.125 -1.341 -2.151) 4.024 11.021 ( -3.607 7.554 3.076) 8.918 11.078 ( -5.011 3.599 2.347) 6.601 11.245 ( -1.135 1.697 0.171) 2.049 11.281 ( 1.975 7.598 -2.879) 8.362 11.577 ( 3.306 3.270 3.443) 5.786 11.685 ( 7.956 2.695 6.022) 10.336 12.006 ( 1.284 -2.391 2.424) 3.639 12.071 ( 2.086 -3.377 -1.221) 4.152 12.201 ( -0.598 3.857 6.985) 8.002 12.429 ( 4.634 6.287 -2.663) 8.252 12.585 ( -1.144 -2.981 1.133) 3.388 12.690 ( -3.785 -0.438 -1.714) 4.178 12.991 ( -4.275 2.212 -4.282) 6.442 13.105 ( 1.459 2.276 3.829) 4.687 13.436 ( 0.559 2.139 6.966) 7.309 13.666 ( 0.946 3.660 -2.500) 4.532 13.759 ( -0.920 6.503 0.790) 6.616 13.898 ( 2.030 6.277 -5.265) 8.441 ======================= Grid point 169 (74/140) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( 6.984 -17.942 21.109) 28.570 3.000 ( 9.930 -22.448 15.121) 28.830 3.327 ( 1.653 -10.687 -12.428) 16.474 3.435 ( 5.604 -7.656 -14.572) 17.389 4.259 ( -6.283 9.558 6.573) 13.192 4.514 ( -10.262 3.187 13.508) 17.261 4.634 ( 1.443 18.519 4.782) 19.181 4.666 ( -3.662 -7.150 12.478) 14.841 4.928 ( -9.140 7.512 -2.952) 12.194 5.208 ( 2.178 0.728 -0.673) 2.393 5.619 ( 9.830 4.198 -5.528) 12.034 5.663 ( 6.145 3.973 -0.985) 7.384 6.010 ( -2.652 -9.991 -14.240) 17.597 6.223 ( -3.208 9.034 -10.394) 14.140 6.257 ( 1.763 -5.654 8.815) 10.619 6.604 ( -4.166 -7.711 11.218) 14.236 6.813 ( 1.076 -9.324 0.358) 9.393 7.469 ( 1.549 -6.663 -6.063) 9.141 7.563 ( 4.319 -6.881 5.815) 9.990 7.650 ( 2.138 -7.288 -7.326) 10.552 8.043 ( -5.011 -5.426 -1.621) 7.562 8.228 ( -0.174 -8.116 0.350) 8.125 8.349 ( -1.003 -12.293 4.501) 13.129 8.648 ( 6.195 -6.278 -6.654) 11.048 8.994 ( -2.149 -8.836 3.858) 9.878 9.163 ( -7.933 -6.502 5.768) 11.768 9.327 ( 1.994 -0.642 0.738) 2.221 9.576 ( 1.858 -1.966 -2.502) 3.685 9.674 ( -0.138 2.736 3.836) 4.714 9.817 ( -1.302 -5.938 -3.484) 7.007 10.039 ( -1.606 4.502 -6.366) 7.961 10.249 ( -1.576 5.193 -4.736) 7.203 10.310 ( -6.416 2.567 0.188) 6.913 10.464 ( 0.690 5.853 -5.553) 8.098 10.540 ( 2.786 8.833 -0.231) 9.265 10.806 ( -0.836 9.373 -3.329) 9.982 10.829 ( -4.478 5.778 1.522) 7.467 11.017 ( -4.827 0.679 3.915) 6.252 11.110 ( 0.511 6.184 -2.590) 6.724 11.264 ( -0.898 -0.934 0.743) 1.493 11.582 ( 3.849 -0.543 5.936) 7.096 11.758 ( 8.471 0.325 7.344) 11.216 12.013 ( -1.950 6.596 4.701) 8.331 12.035 ( -2.507 2.454 -0.461) 3.539 12.202 ( 3.057 -3.318 1.531) 4.764 12.444 ( 10.696 1.255 2.108) 10.973 12.644 ( -0.656 -3.816 -2.094) 4.402 12.659 ( -3.791 -1.074 -1.812) 4.337 12.881 ( -6.364 2.814 -3.857) 7.956 13.089 ( 1.251 2.127 2.729) 3.679 13.409 ( -0.947 2.438 5.948) 6.498 13.582 ( -0.593 4.294 -0.910) 4.430 13.658 ( -0.685 3.064 0.920) 3.272 13.788 ( 2.608 5.482 -4.407) 7.502 ======================= Grid point 170 (75/140) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.274 ( -1.733 -3.975 5.656) 7.127 3.459 ( 3.576 -15.830 3.760) 16.659 3.580 ( 4.210 -7.281 -3.191) 8.996 3.621 ( 3.089 -13.958 10.167) 17.542 4.044 ( -2.442 9.689 5.004) 11.175 4.247 ( -3.688 12.910 8.156) 15.709 4.466 ( -3.853 2.046 5.837) 7.287 4.671 ( -8.280 4.077 2.252) 9.501 4.807 ( -0.698 -2.993 -4.021) 5.061 5.221 ( 2.211 -2.107 -4.262) 5.243 5.458 ( 1.858 9.376 -0.739) 9.587 5.784 ( 6.155 2.264 -1.243) 6.675 5.976 ( -2.262 11.790 -6.362) 13.587 6.134 ( 0.544 -7.665 -1.661) 7.861 6.381 ( 2.449 -3.233 5.002) 6.440 6.727 ( -2.103 -5.247 7.231) 9.178 6.981 ( -1.911 -7.890 1.890) 8.335 7.533 ( -2.936 -1.575 0.803) 3.427 7.644 ( 0.240 0.253 -3.888) 3.903 7.811 ( 8.326 -5.681 -1.231) 10.155 8.103 ( -5.416 -5.538 -3.085) 8.338 8.318 ( 0.400 -1.323 -1.873) 2.328 8.557 ( 0.066 -7.268 2.581) 7.713 8.760 ( 2.858 -2.232 -5.654) 6.718 9.099 ( -0.141 -1.127 1.292) 1.720 9.250 ( -3.481 -3.129 4.836) 6.730 9.374 ( 1.357 -4.448 3.088) 5.583 9.570 ( -4.534 4.264 2.979) 6.900 9.648 ( 1.284 -3.137 -2.680) 4.321 9.936 ( 1.405 0.825 -7.486) 7.662 9.957 ( 0.101 -3.206 0.206) 3.214 10.054 ( 0.101 7.254 -7.065) 10.126 10.211 ( -4.139 3.184 0.872) 5.294 10.326 ( 6.239 11.574 -6.495) 14.665 10.443 ( 0.391 0.510 -0.994) 1.184 10.643 ( -2.643 3.001 0.318) 4.011 10.737 ( -3.140 0.568 -1.811) 3.668 10.961 ( -0.868 2.706 1.777) 3.352 11.055 ( 0.526 -0.118 -0.545) 0.766 11.271 ( -2.914 -0.726 3.202) 4.390 11.684 ( 1.613 -4.150 6.192) 7.627 11.796 ( 1.710 5.338 4.321) 7.077 11.852 ( -0.809 3.799 9.898) 10.633 12.037 ( 0.016 -1.670 -4.295) 4.608 12.257 ( 1.473 1.202 -0.959) 2.129 12.485 ( 6.365 2.834 3.034) 7.599 12.645 ( -2.695 -1.344 -0.666) 3.084 12.738 ( 0.463 -4.441 -2.689) 5.213 12.797 ( -2.700 -1.318 -1.380) 3.306 13.070 ( -0.178 0.277 1.178) 1.223 13.368 ( -0.551 2.272 4.509) 5.079 13.505 ( -0.968 2.393 -0.675) 2.668 13.631 ( -0.963 0.137 1.489) 1.778 13.721 ( 1.230 1.814 -2.761) 3.525 ======================= Grid point 171 (76/140) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.076 ( -10.649 17.249 6.580) 21.313 3.351 ( -7.468 26.350 5.820) 28.000 3.733 ( 0.361 -9.862 2.207) 10.112 3.914 ( -1.253 -7.923 1.645) 8.188 4.054 ( 3.116 -8.434 3.867) 9.787 4.271 ( -0.100 -10.219 6.131) 11.917 4.441 ( -2.876 -2.640 1.903) 4.343 4.556 ( -9.024 -2.993 3.526) 10.140 4.901 ( 7.292 -3.660 -2.515) 8.538 5.281 ( 8.818 7.087 -0.715) 11.336 5.377 ( 4.676 3.596 5.506) 8.069 5.625 ( -7.257 6.225 -1.690) 9.709 5.673 ( -3.767 10.370 -5.252) 12.219 6.308 ( 7.475 -3.374 -3.188) 8.799 6.443 ( 1.657 -0.855 3.138) 3.650 6.790 ( -2.667 -0.791 5.290) 5.977 7.078 ( -5.159 -4.338 2.951) 7.357 7.501 ( -5.390 0.781 2.048) 5.818 7.576 ( 0.803 5.134 -8.549) 10.004 7.954 ( 7.999 -0.796 0.175) 8.040 8.104 ( -6.305 -0.762 -5.125) 8.161 8.285 ( 3.240 5.560 -0.927) 6.501 8.589 ( -0.458 5.846 1.499) 6.052 8.709 ( -0.639 6.339 -2.630) 6.893 9.082 ( 3.474 3.109 1.226) 4.820 9.218 ( -1.520 4.481 3.977) 6.181 9.432 ( -4.509 4.116 0.894) 6.170 9.519 ( 1.193 -3.002 1.798) 3.697 9.666 ( 2.579 3.553 -2.059) 4.849 9.827 ( -1.468 4.753 6.306) 8.032 9.980 ( 2.219 0.081 -6.298) 6.678 10.023 ( 1.534 -3.852 -6.195) 7.455 10.198 ( 4.504 0.393 -5.260) 6.936 10.324 ( 7.192 -8.003 -0.813) 10.790 10.452 ( -1.301 -2.081 -0.868) 2.603 10.653 ( -1.409 -4.456 -1.720) 4.980 10.751 ( -0.660 -5.338 -2.661) 6.001 10.939 ( 1.936 0.080 2.587) 3.233 11.084 ( 1.028 -1.505 -1.403) 2.300 11.266 ( -4.213 -0.965 4.444) 6.199 11.640 ( -3.882 5.382 6.486) 9.279 11.824 ( -6.773 0.340 8.575) 10.932 11.847 ( 2.807 -4.757 6.027) 8.175 12.064 ( 0.276 -1.923 -4.996) 5.361 12.165 ( -0.831 6.116 -1.762) 6.419 12.528 ( 6.880 -0.531 2.400) 7.306 12.618 ( -6.041 0.188 0.946) 6.118 12.768 ( -2.775 -2.364 -1.285) 3.865 12.881 ( 4.637 -3.061 -4.597) 7.212 13.093 ( -1.129 -2.827 0.591) 3.101 13.354 ( 0.209 0.487 5.279) 5.306 13.490 ( -0.357 -2.196 -0.763) 2.352 13.622 ( -0.142 0.389 0.453) 0.614 13.733 ( -1.150 -3.463 -1.993) 4.158 ======================= Grid point 172 (77/140) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -12.522 24.015 13.590) 30.302 2.733 ( -11.565 29.805 12.570) 34.353 3.751 ( -5.886 7.663 -10.668) 14.393 3.865 ( -4.993 1.970 -13.951) 14.948 4.306 ( 4.083 -13.479 5.385) 15.079 4.485 ( -3.652 -0.093 18.629) 18.984 4.560 ( -3.192 -11.420 3.733) 12.431 4.687 ( -7.605 -8.751 12.196) 16.827 4.937 ( -4.208 11.087 15.133) 19.226 5.056 ( 12.107 -2.276 -3.027) 12.686 5.304 ( 7.589 6.751 -16.429) 19.315 5.540 ( 9.702 3.864 -0.501) 10.455 5.772 ( -2.302 -14.526 2.859) 14.982 6.311 ( 2.708 4.200 -7.639) 9.128 6.474 ( 3.113 1.482 -1.397) 3.720 6.726 ( -3.506 6.038 5.425) 8.842 7.065 ( -9.905 -0.402 1.445) 10.018 7.420 ( -1.358 7.769 -3.362) 8.573 7.448 ( -0.881 2.154 -7.964) 8.297 7.877 ( -0.179 11.988 -3.980) 12.633 8.048 ( 0.681 3.085 -3.389) 4.633 8.200 ( 4.993 5.911 2.238) 8.054 8.359 ( -3.409 13.716 4.803) 14.927 8.563 ( -2.120 6.966 -4.298) 8.455 9.021 ( 5.139 9.480 2.725) 11.122 9.142 ( 0.694 2.214 8.662) 8.967 9.292 ( -4.353 7.038 -0.069) 8.276 9.467 ( 1.586 7.519 -0.622) 7.710 9.601 ( -0.358 1.698 -0.472) 1.799 9.912 ( 2.195 -7.763 8.441) 11.676 10.031 ( 6.127 -3.763 -3.680) 8.078 10.076 ( 5.112 -0.981 -9.457) 10.795 10.332 ( 4.861 -7.169 -1.220) 8.748 10.458 ( 5.347 -0.060 -3.126) 6.194 10.539 ( 2.086 -7.096 0.257) 7.401 10.724 ( -0.089 -4.023 -2.540) 4.758 10.917 ( 1.209 -9.548 -3.528) 10.251 11.027 ( 1.239 -7.373 1.941) 7.724 11.121 ( 0.924 -3.085 -1.078) 3.396 11.249 ( -4.209 0.764 5.533) 6.993 11.533 ( -4.931 3.272 5.555) 8.116 11.769 ( -9.144 0.930 6.612) 11.322 11.975 ( -0.742 -5.758 5.355) 7.898 12.020 ( -1.166 3.917 5.136) 6.564 12.143 ( 2.541 -3.487 -7.005) 8.227 12.545 ( -8.582 -1.641 -2.883) 9.201 12.625 ( 5.582 -0.762 4.112) 6.975 12.760 ( -0.715 1.435 -2.433) 2.914 12.924 ( 1.886 -0.396 -4.141) 4.568 13.145 ( -1.684 -3.382 -0.683) 3.839 13.370 ( -1.126 -0.220 7.176) 7.267 13.583 ( 0.840 -6.980 -1.948) 7.295 13.633 ( -0.630 -2.089 1.040) 2.417 13.808 ( -0.355 -5.774 -3.804) 6.923 ======================= Grid point 173 (78/140) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.084 ( -8.594 23.263 23.793) 34.367 2.165 ( -13.943 22.434 23.839) 35.581 3.441 ( -9.071 12.549 -12.517) 19.911 3.655 ( -6.221 12.745 -7.921) 16.244 4.053 ( -10.933 23.854 14.075) 29.776 4.653 ( 3.796 -14.885 4.594) 16.033 4.798 ( -1.083 -13.281 5.676) 14.484 4.859 ( -5.118 -10.884 10.310) 15.842 5.119 ( 1.853 -11.704 8.040) 14.320 5.195 ( 5.877 -2.050 -6.540) 9.028 5.252 ( 16.437 0.428 -7.396) 18.030 5.578 ( 7.672 2.352 2.488) 8.401 5.957 ( -3.287 -4.577 -7.416) 9.314 6.244 ( 1.359 0.902 -0.963) 1.894 6.400 ( -0.997 6.072 -3.732) 7.197 6.567 ( 0.069 9.030 3.298) 9.614 6.948 ( -13.370 1.204 -2.041) 13.578 7.237 ( 2.131 8.716 -9.532) 13.091 7.366 ( -0.808 4.253 -7.232) 8.429 7.574 ( -1.565 15.507 -5.154) 16.416 7.974 ( 3.904 5.184 0.500) 6.509 8.084 ( 1.240 10.482 6.955) 12.640 8.175 ( -3.472 3.367 3.289) 5.849 8.384 ( -3.913 7.329 -4.926) 9.658 8.892 ( 2.835 7.838 5.306) 9.881 9.105 ( -1.348 7.779 0.720) 7.928 9.172 ( 3.290 0.748 6.999) 7.770 9.341 ( 4.708 7.114 -0.850) 8.573 9.600 ( -3.272 -1.911 2.403) 4.487 10.100 ( 2.991 -1.037 -10.908) 11.358 10.102 ( 5.409 -5.635 3.049) 8.385 10.169 ( 4.523 -4.855 2.676) 7.155 10.470 ( 4.222 -3.099 -0.201) 5.241 10.507 ( 9.396 -0.716 -5.331) 10.826 10.666 ( 3.242 -2.814 0.915) 4.390 10.769 ( -2.093 -1.568 -1.166) 2.864 11.051 ( 0.767 -4.950 -1.623) 5.266 11.155 ( -0.420 -4.413 1.954) 4.844 11.187 ( -1.087 1.352 3.277) 3.708 11.303 ( 1.053 -10.664 0.102) 10.716 11.487 ( -4.422 -1.815 3.823) 6.121 11.683 ( -6.404 1.446 3.542) 7.460 11.955 ( -1.278 4.296 5.622) 7.190 12.072 ( -4.644 -5.628 2.680) 7.773 12.257 ( 5.435 -4.980 -2.726) 7.860 12.513 ( -11.653 -5.236 -1.421) 12.854 12.641 ( -0.390 3.750 -3.109) 4.886 12.718 ( 3.476 2.018 1.123) 4.173 12.940 ( 2.055 -1.240 -1.714) 2.950 13.178 ( -2.807 -2.437 -1.434) 3.984 13.377 ( -2.576 0.141 9.330) 9.680 13.671 ( -0.437 -3.378 -2.075) 3.989 13.748 ( 1.092 -7.793 -0.124) 7.870 13.914 ( 0.716 -6.003 -4.764) 7.697 ======================= Grid point 174 (79/140) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -8.065 9.075 36.269) 38.248 1.808 ( -7.620 12.575 35.464) 38.391 3.007 ( -10.959 22.889 31.445) 40.408 3.387 ( -0.697 4.413 -21.636) 22.093 3.697 ( -3.632 8.620 -15.604) 18.193 4.854 ( 0.863 -3.242 -2.226) 4.027 5.009 ( -7.876 -6.960 12.054) 15.993 5.085 ( 4.178 -11.923 2.125) 12.811 5.268 ( 6.804 -5.359 0.992) 8.718 5.331 ( 12.551 -2.450 -6.764) 14.467 5.427 ( -3.317 -7.972 -2.673) 9.039 5.581 ( 6.084 2.874 5.519) 8.702 5.868 ( -5.837 5.916 1.714) 8.486 6.217 ( 3.740 5.149 -3.030) 7.049 6.297 ( -2.891 1.573 -2.008) 3.855 6.446 ( 0.416 3.622 1.520) 3.950 6.812 ( -11.660 -0.015 -6.198) 13.205 7.094 ( 3.979 5.534 -10.062) 12.154 7.232 ( -1.653 5.441 -9.513) 11.083 7.294 ( 0.185 10.303 -5.688) 11.770 7.906 ( -1.340 3.965 7.914) 8.953 8.007 ( 0.272 0.931 4.012) 4.127 8.092 ( 0.821 4.104 0.557) 4.222 8.213 ( -3.647 4.971 -4.287) 7.510 8.785 ( -3.896 4.618 6.088) 8.577 8.997 ( 3.249 3.886 -1.302) 5.229 9.226 ( 8.466 0.802 6.909) 10.957 9.288 ( 5.334 3.393 0.947) 6.393 9.600 ( -6.351 -1.222 3.359) 7.288 10.095 ( -1.613 -1.130 -12.052) 12.212 10.214 ( 3.785 -0.889 1.680) 4.236 10.282 ( 0.675 -3.411 2.444) 4.250 10.560 ( 7.924 -1.623 -3.576) 8.844 10.589 ( 7.599 -0.959 -3.480) 8.413 10.697 ( 0.928 1.540 1.885) 2.605 10.746 ( -1.569 0.881 -0.105) 1.803 11.127 ( -0.052 -0.159 6.292) 6.295 11.143 ( 0.596 -0.921 -0.061) 1.099 11.266 ( 2.349 -3.762 1.842) 4.803 11.477 ( -2.539 -6.710 -3.245) 7.874 11.543 ( -0.581 -4.433 7.081) 8.375 11.650 ( -2.348 -0.998 2.123) 3.319 11.873 ( 0.127 4.119 1.474) 4.376 12.121 ( -7.064 -3.629 -1.462) 8.075 12.284 ( -5.361 1.986 -2.772) 6.354 12.544 ( 0.139 3.094 -1.983) 3.678 12.569 ( -2.412 -6.017 1.612) 6.680 12.711 ( 1.862 1.652 -0.592) 2.559 13.019 ( 4.368 -4.063 1.130) 6.071 13.183 ( -3.946 -1.212 -0.372) 4.144 13.381 ( -2.072 0.131 10.835) 11.032 13.713 ( 0.532 -1.567 -3.646) 4.004 13.885 ( 0.450 -5.172 0.146) 5.193 14.008 ( 1.224 -4.003 -4.509) 6.153 ======================= Grid point 176 (80/140) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 9.807 -0.000 36.074) 37.383 2.050 ( 8.422 -0.000 36.446) 37.407 3.132 ( 12.746 -0.000 0.775) 12.770 3.197 ( 6.360 -0.000 -31.389) 32.027 3.614 ( 8.508 -0.000 19.505) 21.280 4.734 ( -9.709 0.000 -3.286) 10.250 4.834 ( -15.065 0.000 8.942) 17.518 5.116 ( 0.123 -0.000 -28.482) 28.482 5.349 ( 0.240 -0.000 6.401) 6.406 5.503 ( 0.861 -0.000 9.389) 9.428 5.564 ( -1.777 0.000 1.986) 2.665 5.728 ( 3.229 -0.000 -5.268) 6.179 5.765 ( 0.192 -0.000 7.672) 7.675 6.157 ( -9.845 0.000 8.890) 13.265 6.281 ( 6.130 -0.000 -9.548) 11.346 6.384 ( 1.616 -0.000 2.771) 3.208 6.626 ( 0.482 -0.000 -6.712) 6.730 7.040 ( 3.416 -0.000 -19.127) 19.430 7.133 ( 0.635 -0.000 -2.874) 2.944 7.166 ( 5.464 -0.000 1.375) 5.634 7.833 ( -5.907 0.000 5.423) 8.019 7.884 ( -4.774 0.000 5.923) 7.608 7.987 ( -5.212 0.000 2.652) 5.848 8.356 ( 13.476 -0.000 -4.541) 14.220 8.678 ( -2.706 0.000 5.770) 6.373 9.068 ( -2.344 0.000 -4.434) 5.015 9.216 ( -1.457 0.000 2.069) 2.531 9.524 ( -2.300 0.000 4.966) 5.473 9.537 ( 7.833 -0.000 0.313) 7.839 9.852 ( -5.474 0.000 -4.260) 6.937 10.175 ( -7.458 0.000 5.270) 9.132 10.238 ( -4.103 0.000 -7.869) 8.875 10.561 ( -7.519 0.000 -4.562) 8.794 10.646 ( -1.435 0.000 -2.884) 3.221 10.724 ( -1.925 0.000 -0.073) 1.926 10.790 ( 6.931 -0.000 -1.193) 7.033 11.141 ( -2.441 0.000 1.736) 2.995 11.170 ( -1.136 0.000 3.225) 3.419 11.349 ( -7.418 0.000 1.681) 7.606 11.462 ( 4.485 -0.000 1.879) 4.863 11.591 ( -1.015 0.000 0.524) 1.142 11.867 ( 3.118 -0.000 -1.385) 3.412 11.893 ( 11.967 -0.000 10.209) 15.730 12.010 ( 7.885 -0.000 -9.448) 12.306 12.234 ( -1.553 0.000 9.159) 9.290 12.508 ( 0.981 -0.000 -2.020) 2.245 12.612 ( -0.862 0.000 -1.546) 1.770 12.688 ( -1.970 0.000 0.238) 1.984 13.050 ( -4.592 0.000 -2.435) 5.198 13.174 ( -2.030 0.000 7.373) 7.647 13.519 ( 5.146 -0.000 4.294) 6.703 13.730 ( 2.403 -0.000 -4.805) 5.372 13.922 ( -1.599 0.000 0.847) 1.809 14.042 ( 1.316 -0.000 -5.058) 5.226 ======================= Grid point 177 (81/140) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( 16.841 -10.318 29.198) 35.250 2.361 ( 10.576 -11.087 32.625) 36.044 3.172 ( 5.127 0.447 -24.499) 25.034 3.224 ( 14.086 -2.383 -25.216) 28.982 3.900 ( 5.781 -12.790 31.198) 34.209 4.623 ( -15.564 1.067 4.612) 16.267 4.705 ( -12.913 3.001 11.916) 17.825 5.129 ( 2.028 1.201 -14.427) 14.618 5.212 ( 5.993 1.493 -10.977) 12.595 5.404 ( -3.151 10.890 10.005) 15.120 5.560 ( 0.247 5.511 -5.956) 8.119 5.771 ( 6.764 -2.110 -3.944) 8.109 5.811 ( -7.944 -6.399 0.185) 10.203 6.174 ( 0.262 1.787 3.721) 4.136 6.220 ( -11.541 -3.995 6.133) 13.666 6.488 ( 10.170 -2.312 2.011) 10.622 6.581 ( 0.957 1.708 -8.489) 8.712 7.101 ( 2.698 -8.469 -13.100) 15.831 7.240 ( 3.093 -8.900 -2.572) 9.767 7.298 ( 6.308 -6.985 1.010) 9.466 7.842 ( -4.917 -4.738 2.326) 7.214 7.910 ( -3.745 -4.579 8.475) 10.335 7.997 ( -4.311 -4.517 3.643) 7.229 8.476 ( 12.040 -2.104 -5.685) 13.480 8.713 ( -1.667 -3.984 5.649) 7.111 9.004 ( -12.157 -2.066 -1.616) 12.437 9.266 ( 4.451 -1.641 2.099) 5.187 9.549 ( -0.816 -3.160 1.373) 3.541 9.567 ( 1.872 0.185 -3.756) 4.201 9.818 ( 0.399 1.106 -1.138) 1.636 10.142 ( -7.825 -0.583 0.396) 7.857 10.162 ( -6.002 -0.697 -4.871) 7.761 10.466 ( -8.559 0.879 -3.871) 9.435 10.616 ( -1.818 0.584 -6.186) 6.474 10.701 ( -2.002 1.428 0.879) 2.612 10.848 ( 3.833 -1.392 -0.139) 4.080 11.075 ( -5.391 3.172 -0.543) 6.278 11.140 ( -2.459 3.274 2.772) 4.945 11.274 ( -3.787 2.532 3.469) 5.726 11.424 ( 2.014 5.756 -1.925) 6.395 11.640 ( 2.348 -2.566 3.871) 5.204 11.846 ( 6.639 5.093 1.295) 8.467 12.003 ( 9.050 -0.420 0.302) 9.064 12.077 ( 5.071 0.115 -0.722) 5.123 12.262 ( 1.641 -0.243 8.777) 8.932 12.514 ( 2.568 0.752 -4.660) 5.373 12.575 ( -0.725 1.635 2.941) 3.442 12.664 ( -2.878 0.511 0.465) 2.960 12.989 ( -3.014 1.942 -3.988) 5.362 13.154 ( -2.771 1.554 7.452) 8.101 13.530 ( 3.218 3.462 4.811) 6.745 13.721 ( 1.950 1.801 -4.618) 5.327 13.863 ( -1.869 4.707 1.221) 5.210 14.001 ( 2.169 3.894 -5.927) 7.416 ======================= Grid point 178 (82/140) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.782 ( 9.409 -14.368 25.131) 30.439 2.795 ( 17.233 -16.123 19.959) 30.908 3.169 ( 4.962 -4.105 -18.028) 19.144 3.357 ( 14.966 -4.676 -19.612) 25.109 4.202 ( -9.398 -10.367 16.353) 21.523 4.456 ( -16.123 3.240 9.156) 18.823 4.644 ( -1.200 0.506 12.494) 12.562 4.939 ( -2.398 9.881 1.189) 10.237 5.117 ( -4.268 18.234 7.359) 20.121 5.279 ( 1.922 4.607 -4.222) 6.538 5.580 ( 7.457 -12.666 -25.330) 29.286 5.760 ( 8.634 1.988 -0.442) 8.871 5.887 ( -5.896 0.728 -11.539) 12.979 6.036 ( -10.245 -2.549 6.790) 12.552 6.414 ( -2.997 -11.520 14.704) 18.918 6.463 ( 7.573 6.389 -5.703) 11.432 6.690 ( 4.779 -6.058 1.696) 7.900 7.283 ( 0.545 -10.823 -8.588) 13.827 7.445 ( 2.512 -9.599 -2.805) 10.311 7.516 ( 7.669 -8.547 2.456) 11.743 7.912 ( -3.629 -4.719 -0.500) 5.973 8.038 ( -3.302 -9.770 5.176) 11.539 8.123 ( -2.368 -10.476 5.636) 12.130 8.581 ( 4.252 -2.871 -6.750) 8.478 8.838 ( 1.092 -7.781 4.403) 9.007 8.982 ( -8.239 -5.910 1.875) 10.311 9.327 ( 0.803 -1.251 3.572) 3.869 9.561 ( 0.558 -0.358 -3.906) 3.961 9.634 ( 0.116 -5.455 -4.195) 6.883 9.784 ( -0.192 2.714 0.613) 2.789 10.039 ( -6.255 1.627 -8.336) 10.548 10.162 ( -6.274 -3.472 -0.227) 7.174 10.367 ( -5.792 2.357 -3.407) 7.121 10.536 ( -0.906 4.714 -5.725) 7.472 10.642 ( -2.045 2.478 0.215) 3.220 10.884 ( 0.029 2.056 -2.182) 2.998 10.962 ( -4.210 2.075 1.241) 4.855 11.023 ( -3.403 7.310 3.833) 8.928 11.197 ( -3.323 3.158 -0.552) 4.618 11.301 ( 1.216 7.012 -1.153) 7.210 11.682 ( 5.166 3.268 5.153) 7.995 11.861 ( 7.622 -0.349 3.374) 8.342 12.054 ( 2.981 2.688 3.276) 5.181 12.091 ( 0.553 -1.108 -3.278) 3.504 12.241 ( 0.159 5.211 5.236) 7.388 12.543 ( 7.292 -0.718 1.792) 7.543 12.593 ( 1.460 -2.119 1.586) 3.023 12.627 ( -1.218 1.348 0.540) 1.896 12.889 ( -3.911 4.370 -4.223) 7.227 13.129 ( -1.688 0.934 5.218) 5.563 13.490 ( 1.297 4.060 5.425) 6.899 13.664 ( 0.715 4.256 -3.087) 5.306 13.737 ( -2.256 6.011 1.438) 6.579 13.911 ( 3.103 5.796 -5.884) 8.823 ======================= Grid point 179 (83/140) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 3.940 -10.336 14.624) 18.336 3.226 ( 9.548 -13.903 -0.242) 16.868 3.396 ( 9.737 -14.739 9.200) 19.917 3.520 ( 10.803 -4.805 -9.582) 15.219 4.187 ( -6.699 6.378 6.237) 11.156 4.399 ( -11.677 -5.341 15.317) 19.987 4.625 ( -6.459 5.518 5.158) 9.938 4.686 ( 1.110 16.897 3.527) 17.296 4.766 ( -7.153 7.042 -0.794) 10.069 5.182 ( -2.154 2.013 -6.116) 6.789 5.637 ( -0.436 9.003 -8.683) 12.516 5.776 ( -3.910 -5.441 -12.722) 14.379 5.994 ( 11.654 -10.477 4.419) 16.282 6.052 ( -1.129 -1.542 -5.501) 5.823 6.437 ( 8.310 2.909 0.467) 8.817 6.622 ( -1.412 -7.033 13.072) 14.911 6.832 ( 0.480 -6.210 2.192) 6.603 7.432 ( -2.671 -6.700 -1.838) 7.443 7.603 ( 2.883 -5.134 -5.982) 8.393 7.753 ( 7.652 -7.692 5.015) 11.953 7.945 ( -5.387 -4.039 -1.011) 6.809 8.218 ( -0.471 -8.892 -1.607) 9.048 8.360 ( -1.021 -12.907 4.987) 13.874 8.645 ( -1.901 -5.986 -6.961) 9.376 9.030 ( 3.489 -7.910 2.531) 9.008 9.093 ( -2.507 -8.520 4.092) 9.778 9.352 ( -0.914 -0.895 3.688) 3.903 9.572 ( 0.131 -1.025 -2.404) 2.616 9.655 ( -3.839 3.104 -2.973) 5.763 9.778 ( -0.709 -6.201 -2.487) 6.718 9.963 ( -1.467 -0.240 -7.831) 7.971 10.160 ( -5.478 -0.903 -4.070) 6.884 10.230 ( -1.681 6.906 -3.591) 7.963 10.441 ( -1.415 2.691 -0.422) 3.069 10.556 ( -0.526 5.711 -2.462) 6.241 10.756 ( -0.626 9.058 -6.244) 11.020 10.798 ( -0.831 9.208 3.125) 9.760 10.966 ( -3.315 -0.754 4.106) 5.331 11.091 ( -1.746 3.903 -1.388) 4.495 11.232 ( -2.906 0.209 2.228) 3.667 11.687 ( 3.103 1.335 7.609) 8.325 11.928 ( 4.833 2.599 0.465) 5.507 12.010 ( -0.548 6.138 3.829) 7.255 12.028 ( 2.378 2.729 2.035) 4.152 12.237 ( 0.647 -2.587 -1.140) 2.900 12.586 ( -0.003 1.540 -1.577) 2.204 12.609 ( 1.444 -1.925 3.058) 3.891 12.705 ( 7.655 0.704 1.969) 7.935 12.755 ( -4.173 0.863 -1.925) 4.676 13.102 ( -1.230 1.983 2.666) 3.543 13.437 ( 0.479 3.567 4.960) 6.128 13.563 ( -0.792 4.811 -1.102) 4.999 13.638 ( -2.547 2.534 1.808) 4.022 13.811 ( 3.055 5.619 -4.806) 8.000 ======================= Grid point 180 (84/140) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.272 ( -0.820 4.842 5.625) 7.467 3.531 ( 2.098 -10.088 4.038) 11.067 3.668 ( 6.758 -0.383 -1.176) 6.870 3.751 ( 2.362 -10.206 11.846) 15.814 4.036 ( -1.273 4.691 4.658) 6.732 4.226 ( -3.365 9.051 6.474) 11.625 4.435 ( -2.512 4.381 4.306) 6.637 4.519 ( -10.810 5.041 4.804) 12.859 4.802 ( 2.307 -9.629 -1.847) 10.072 5.187 ( -3.450 -8.344 -3.938) 9.851 5.478 ( 2.128 5.182 -8.520) 10.196 5.696 ( -7.388 2.504 -8.977) 11.893 5.947 ( 1.025 14.388 1.179) 14.472 6.313 ( 14.660 -7.718 2.910) 16.821 6.463 ( 3.854 1.121 0.421) 4.036 6.723 ( -2.861 -3.592 4.167) 6.201 6.955 ( -2.904 -5.695 6.936) 9.432 7.472 ( -4.911 -0.877 4.017) 6.405 7.637 ( 3.057 1.933 -7.241) 8.094 7.930 ( -0.278 -5.812 1.459) 5.999 8.012 ( 1.978 -4.592 -2.228) 5.473 8.334 ( 2.906 -2.833 -3.278) 5.217 8.566 ( -0.729 -6.853 2.747) 7.419 8.720 ( -3.182 -3.797 -4.851) 6.933 9.137 ( 3.107 -0.356 -0.436) 3.158 9.240 ( -0.558 -3.952 4.065) 5.697 9.413 ( 1.475 -4.751 2.820) 5.718 9.487 ( -7.102 4.040 2.422) 8.522 9.647 ( 0.792 -5.327 -3.371) 6.353 9.920 ( -0.458 -6.231 -2.770) 6.834 9.937 ( 0.929 4.566 -4.252) 6.308 10.050 ( 1.554 3.961 -3.794) 5.700 10.144 ( -1.879 -1.624 -3.121) 3.989 10.385 ( 3.318 7.571 -4.748) 9.532 10.424 ( -0.993 0.757 -2.045) 2.396 10.568 ( -5.330 2.608 0.565) 5.961 10.728 ( 2.689 1.135 -0.930) 3.063 10.985 ( 2.243 -0.238 2.696) 3.515 11.042 ( -2.403 -1.176 -0.000) 2.675 11.209 ( -5.514 -0.213 3.966) 6.795 11.694 ( -3.545 1.392 6.509) 7.541 11.856 ( 1.146 4.303 6.443) 7.832 11.931 ( 3.024 6.286 2.303) 7.346 12.025 ( 2.214 -0.493 -2.838) 3.633 12.243 ( -1.866 2.331 -2.815) 4.104 12.560 ( -2.687 1.062 -0.901) 3.027 12.612 ( -0.256 2.057 3.362) 3.950 12.686 ( 0.614 -3.956 -0.706) 4.065 12.861 ( 6.585 -2.638 -0.787) 7.137 13.066 ( -0.984 0.697 1.621) 2.021 13.399 ( 0.707 2.128 4.454) 4.987 13.484 ( -0.544 2.085 -1.299) 2.517 13.608 ( -3.067 -1.031 2.963) 4.388 13.728 ( 1.831 3.751 -3.414) 5.392 ======================= Grid point 181 (85/140) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( -4.052 21.233 10.809) 24.168 3.289 ( -3.941 30.027 7.027) 31.089 3.732 ( -1.394 -6.002 -0.395) 6.175 3.836 ( -5.790 4.115 -5.566) 9.024 4.138 ( 3.587 -8.397 3.200) 9.676 4.308 ( -2.313 -9.099 -0.067) 9.388 4.384 ( -3.301 -6.681 9.994) 12.466 4.488 ( -2.738 -7.782 10.394) 13.270 5.003 ( 5.937 -7.674 -2.871) 10.118 5.354 ( 0.150 9.572 -4.307) 10.498 5.432 ( -4.533 -16.254 2.847) 17.113 5.480 ( -2.288 17.804 0.081) 17.951 5.690 ( 6.772 5.288 0.050) 8.592 6.418 ( 2.761 5.457 -5.733) 8.383 6.520 ( 9.047 -1.959 -0.526) 9.271 6.744 ( -4.881 -1.290 -0.231) 5.054 6.994 ( -7.447 0.247 9.154) 11.803 7.441 ( -3.159 0.862 5.255) 6.191 7.559 ( 3.123 6.368 -8.878) 11.364 7.963 ( -5.890 -0.182 -6.200) 8.554 8.088 ( 6.869 0.687 0.662) 6.935 8.352 ( 5.111 3.776 -2.875) 6.975 8.572 ( -2.293 7.069 1.329) 7.550 8.651 ( -3.479 5.158 -2.094) 6.565 9.171 ( 4.573 -0.184 1.537) 4.828 9.227 ( 0.397 5.013 3.542) 6.151 9.355 ( -5.016 2.436 1.868) 5.881 9.544 ( 0.698 -0.165 1.999) 2.124 9.710 ( 2.408 5.678 0.285) 6.174 9.819 ( -3.130 -2.566 5.440) 6.780 9.984 ( 3.296 -4.736 -7.365) 9.356 10.062 ( 4.628 -0.831 -3.736) 6.006 10.199 ( 0.413 -4.667 -3.919) 6.108 10.382 ( 0.466 -5.812 -2.996) 6.555 10.478 ( 5.023 -5.943 -2.191) 8.084 10.590 ( -4.911 -7.620 -0.338) 9.071 10.771 ( 3.961 -3.172 -0.902) 5.154 11.010 ( 3.251 0.052 2.991) 4.418 11.077 ( 0.092 -2.036 -2.324) 3.091 11.185 ( -7.322 -2.304 6.272) 9.913 11.616 ( -3.709 4.553 5.749) 8.218 11.759 ( -5.072 5.307 5.403) 9.116 11.927 ( 2.200 -1.710 4.978) 5.705 12.055 ( 1.070 -1.142 -2.226) 2.722 12.143 ( 0.637 3.930 -2.162) 4.530 12.457 ( -9.933 1.869 -1.634) 10.239 12.664 ( 4.915 -1.619 0.737) 5.227 12.759 ( 1.899 -1.869 -0.384) 2.692 12.920 ( 2.492 -0.561 -2.875) 3.846 13.075 ( -1.540 -1.830 0.343) 2.416 13.390 ( -0.248 0.803 5.579) 5.642 13.487 ( 0.809 -2.984 -0.843) 3.205 13.619 ( -0.426 -0.346 0.329) 0.640 13.704 ( -0.573 -2.311 -1.891) 3.041 ======================= Grid point 182 (86/140) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -2.320 24.193 19.588) 31.215 2.681 ( -3.456 31.528 14.630) 34.928 3.555 ( -6.062 12.063 -15.821) 20.798 3.699 ( -5.121 3.566 -15.642) 16.841 4.386 ( -0.743 -13.683 4.635) 14.466 4.487 ( -2.599 -6.614 9.805) 12.109 4.573 ( -2.381 -0.488 17.030) 17.203 4.644 ( -6.499 -4.809 13.592) 15.815 4.986 ( 0.919 5.028 12.613) 13.610 5.162 ( 1.523 -4.982 -3.836) 6.470 5.363 ( 9.744 0.514 -12.872) 16.152 5.680 ( 3.708 -4.637 -5.856) 8.339 5.781 ( 6.633 -7.383 3.723) 10.600 6.280 ( -1.964 5.987 -8.165) 10.313 6.536 ( 3.089 5.800 -0.756) 6.615 6.695 ( -1.140 2.482 -3.714) 4.610 6.873 ( -13.224 4.773 7.553) 15.959 7.402 ( 0.407 7.383 1.251) 7.499 7.425 ( 3.535 3.954 -8.701) 10.190 7.800 ( -3.398 10.174 -7.361) 13.009 8.097 ( 3.935 3.644 0.064) 5.364 8.263 ( -0.158 7.649 -2.975) 8.209 8.336 ( -0.144 12.549 4.962) 13.495 8.503 ( -1.508 7.989 -1.042) 8.197 9.091 ( 0.215 9.642 3.510) 10.264 9.179 ( -1.854 2.968 0.606) 3.552 9.313 ( 6.993 3.457 7.280) 10.670 9.457 ( -4.554 3.505 1.997) 6.084 9.613 ( 3.223 5.117 -1.631) 6.263 9.961 ( -3.850 -8.734 5.528) 11.030 10.064 ( 1.813 -2.064 -6.768) 7.304 10.139 ( 7.924 -4.646 -2.369) 9.486 10.393 ( 3.538 -10.624 -0.201) 11.200 10.458 ( 0.266 -4.372 -2.398) 4.994 10.656 ( -6.070 -6.182 -1.573) 8.806 10.683 ( 9.846 -3.956 -4.047) 11.356 10.921 ( -0.137 -8.600 0.476) 8.615 11.068 ( 1.051 -3.158 2.195) 3.987 11.123 ( 0.968 -5.292 -1.129) 5.497 11.201 ( -3.083 -1.623 4.576) 5.752 11.513 ( -0.719 4.409 3.897) 5.928 11.653 ( -7.935 1.417 4.930) 9.448 11.989 ( -0.218 -1.561 4.419) 4.691 12.046 ( 0.448 2.332 6.429) 6.853 12.182 ( 5.004 -5.622 -4.013) 8.529 12.339 ( -11.040 -0.380 -3.915) 11.720 12.693 ( 0.714 1.867 -2.755) 3.404 12.777 ( 1.665 1.162 -0.331) 2.057 12.945 ( 3.368 -0.687 -0.871) 3.545 13.095 ( -3.534 -2.769 -1.811) 4.841 13.390 ( -1.669 0.328 7.643) 7.830 13.586 ( 0.902 -5.363 -1.961) 5.781 13.638 ( 0.540 -3.127 0.804) 3.274 13.784 ( 0.135 -6.212 -3.723) 7.244 ======================= Grid point 183 (87/140) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.173 ( -0.047 24.488 25.184) 35.127 2.201 ( 1.894 19.725 30.538) 36.404 3.265 ( -0.694 9.379 -18.380) 20.647 3.486 ( -4.456 7.907 -18.887) 20.954 4.026 ( -5.231 29.304 27.042) 40.217 4.673 ( -4.649 -12.974 4.988) 14.656 4.804 ( -8.616 -9.757 11.816) 17.580 4.847 ( 3.266 -15.944 4.499) 16.886 5.174 ( 1.705 -9.802 1.823) 10.115 5.230 ( 0.368 -4.273 -0.050) 4.289 5.471 ( 13.827 -1.368 -9.695) 16.943 5.670 ( 4.898 4.401 -13.164) 14.719 5.938 ( 4.195 -0.009 4.193) 5.932 6.189 ( -5.740 -3.066 -3.216) 7.258 6.390 ( 0.442 8.837 0.831) 8.887 6.597 ( -0.243 9.176 3.245) 9.736 6.689 ( -12.929 0.090 -4.492) 13.688 7.247 ( 5.086 8.565 -7.855) 12.686 7.333 ( 0.855 7.267 -5.176) 8.963 7.524 ( -0.384 13.551 -6.537) 15.050 8.027 ( 1.050 6.535 3.126) 7.320 8.060 ( -5.798 7.009 4.615) 10.200 8.188 ( -0.911 6.031 0.573) 6.126 8.341 ( 4.531 8.392 -2.448) 9.846 8.893 ( -5.417 8.890 5.918) 11.975 9.109 ( 4.006 4.376 -1.290) 6.072 9.345 ( 4.261 2.710 4.452) 6.732 9.378 ( 1.851 1.954 1.511) 3.087 9.573 ( 0.413 1.793 3.145) 3.644 9.987 ( -8.267 -2.472 -5.676) 10.328 10.182 ( 1.487 -5.818 0.825) 6.062 10.248 ( 3.830 -0.967 -0.863) 4.043 10.547 ( 2.662 -4.043 -2.175) 5.307 10.578 ( 3.137 -4.874 -2.741) 6.411 10.677 ( -4.763 -3.390 0.203) 5.850 10.792 ( 7.249 0.904 -1.697) 7.500 11.050 ( -1.458 -6.192 2.095) 6.697 11.139 ( -3.255 -3.147 3.194) 5.541 11.214 ( 2.308 -1.383 1.575) 3.118 11.294 ( -0.464 -9.571 -3.377) 10.160 11.504 ( 2.908 -1.535 4.914) 5.912 11.610 ( -3.166 -1.391 3.177) 4.697 11.969 ( 0.268 4.084 3.561) 5.425 12.050 ( -0.081 -0.139 2.951) 2.956 12.248 ( -5.200 -0.037 -3.975) 6.545 12.388 ( 0.394 -10.835 0.951) 10.884 12.612 ( -1.456 4.240 -1.612) 4.764 12.747 ( -0.812 1.727 -1.762) 2.597 13.003 ( 3.874 -1.689 2.837) 5.090 13.110 ( -3.093 -2.682 -3.627) 5.469 13.397 ( -1.352 -0.108 9.195) 9.295 13.663 ( 0.847 -3.355 -2.457) 4.244 13.761 ( 0.269 -7.308 0.303) 7.320 13.901 ( 1.024 -6.425 -4.788) 8.078 ======================= Grid point 186 (88/140) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 14.967 -0.000 30.436) 33.917 2.458 ( 20.330 -0.000 28.509) 35.016 3.163 ( 10.250 -0.000 -29.881) 31.590 3.267 ( 14.140 -0.000 -24.107) 27.948 3.914 ( 1.782 -0.000 26.437) 26.497 4.466 ( -20.613 0.000 3.100) 20.845 4.675 ( -8.474 0.000 17.267) 19.234 5.060 ( 12.040 -0.000 -30.292) 32.597 5.375 ( -1.180 0.000 6.676) 6.780 5.462 ( -8.554 0.000 -3.491) 9.239 5.527 ( -5.348 0.000 13.940) 14.930 5.694 ( -0.602 0.000 -12.286) 12.301 5.828 ( 3.558 -0.000 1.550) 3.881 6.095 ( -5.211 0.000 16.745) 17.537 6.225 ( -3.613 0.000 -7.104) 7.970 6.534 ( 11.398 -0.000 -2.868) 11.754 6.593 ( -0.766 0.000 -6.466) 6.511 7.011 ( 4.491 -0.000 -12.336) 13.128 7.143 ( 1.684 -0.000 0.256) 1.704 7.318 ( 10.276 -0.000 2.868) 10.669 7.760 ( -4.698 0.000 3.674) 5.964 7.861 ( -3.529 0.000 8.796) 9.478 7.925 ( -4.505 0.000 3.837) 5.917 8.541 ( 9.686 -0.000 -5.963) 11.375 8.683 ( -0.096 0.000 4.852) 4.853 8.863 ( -12.479 0.000 -1.931) 12.628 9.293 ( 1.170 -0.000 6.711) 6.812 9.514 ( 1.908 -0.000 -3.681) 4.146 9.553 ( -1.103 0.000 -5.949) 6.051 9.864 ( 5.868 -0.000 -1.906) 6.170 10.059 ( -8.514 0.000 3.588) 9.239 10.070 ( -10.592 0.000 -7.107) 12.756 10.387 ( -8.299 0.000 -4.087) 9.251 10.574 ( -3.173 0.000 -7.215) 7.882 10.680 ( -2.910 0.000 -0.029) 2.910 10.892 ( 5.155 -0.000 0.193) 5.159 11.043 ( -8.336 0.000 -2.405) 8.676 11.175 ( -1.120 0.000 5.078) 5.200 11.269 ( -3.683 0.000 3.996) 5.434 11.508 ( 0.498 -0.000 0.539) 0.734 11.598 ( 0.343 -0.000 3.358) 3.375 11.940 ( 6.320 -0.000 -4.096) 7.531 12.106 ( 7.978 -0.000 -10.337) 13.057 12.135 ( 5.760 -0.000 7.290) 9.291 12.300 ( 4.114 -0.000 12.554) 13.211 12.540 ( 4.684 -0.000 -2.748) 5.431 12.589 ( -1.349 0.000 0.853) 1.597 12.649 ( -2.414 0.000 2.148) 3.231 12.983 ( -0.797 0.000 -3.183) 3.281 13.159 ( -4.688 0.000 9.009) 10.155 13.606 ( 1.993 -0.000 4.429) 4.856 13.742 ( 2.279 -0.000 -5.804) 6.236 13.898 ( -1.711 0.000 1.421) 2.225 14.040 ( 2.695 -0.000 -7.050) 7.547 ======================= Grid point 187 (89/140) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 13.906 -7.402 24.528) 29.151 2.796 ( 21.511 -7.839 22.731) 32.262 3.146 ( 9.536 1.284 -23.792) 25.664 3.370 ( 17.057 -3.626 -21.741) 27.871 3.989 ( -11.976 -5.890 14.681) 19.841 4.322 ( -21.246 -2.242 5.113) 21.968 4.684 ( -1.434 0.893 19.265) 19.339 5.084 ( -0.677 5.934 -4.405) 7.421 5.283 ( 11.318 -5.069 -19.472) 23.086 5.382 ( -5.528 9.731 8.848) 14.267 5.526 ( -0.764 6.815 -1.846) 7.102 5.632 ( -8.760 -7.815 -6.637) 13.485 5.878 ( 6.795 -0.439 -1.415) 6.955 6.034 ( -9.976 5.493 -0.300) 11.393 6.251 ( 0.735 -7.581 13.164) 15.208 6.550 ( 0.906 1.221 -5.822) 6.017 6.673 ( 9.921 -3.916 -1.534) 10.776 7.088 ( 3.396 -6.734 -8.626) 11.458 7.263 ( 2.167 -9.118 -0.332) 9.378 7.475 ( 10.880 -5.180 3.722) 12.611 7.786 ( -2.819 -4.919 1.766) 5.938 7.889 ( -4.810 -3.763 8.165) 10.196 7.957 ( -3.378 -5.992 5.100) 8.563 8.550 ( -4.384 0.143 -5.455) 6.999 8.748 ( 2.123 -4.460 4.171) 6.465 8.836 ( -0.032 -4.192 -1.792) 4.559 9.309 ( -4.647 -1.048 8.839) 10.041 9.537 ( 0.412 -0.789 -6.599) 6.659 9.555 ( 4.259 -2.129 -7.457) 8.847 9.849 ( -0.508 3.745 -1.108) 3.939 9.957 ( -9.309 -0.308 -7.171) 11.755 10.047 ( -5.001 -3.440 -0.406) 6.084 10.312 ( -6.526 -0.167 -3.108) 7.230 10.531 ( -2.276 -0.506 -9.583) 9.863 10.657 ( -3.180 0.549 0.575) 3.278 10.914 ( 3.197 1.536 2.307) 4.232 10.944 ( -8.451 1.257 -1.882) 8.749 11.117 ( -2.419 4.663 4.972) 7.233 11.247 ( -1.542 2.649 3.001) 4.289 11.442 ( 1.181 5.740 -1.871) 6.152 11.690 ( 0.494 -5.668 4.920) 7.522 11.956 ( 5.924 2.683 -0.750) 6.546 12.091 ( 2.541 2.738 -9.015) 9.758 12.150 ( 2.142 2.162 2.016) 3.651 12.351 ( 1.383 3.289 9.100) 9.774 12.574 ( 1.554 -0.818 -1.893) 2.582 12.589 ( 3.108 0.532 2.812) 4.225 12.655 ( 2.575 -0.651 4.501) 5.227 12.949 ( 1.275 3.279 -1.776) 3.942 13.136 ( -4.155 0.588 8.218) 9.227 13.594 ( 0.920 3.462 5.099) 6.231 13.722 ( 1.551 2.128 -5.737) 6.313 13.838 ( -1.783 5.061 1.792) 5.657 14.011 ( 3.391 3.485 -7.445) 8.892 ======================= Grid point 188 (90/140) ======================= q-point: ( 0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 9.891 -9.209 15.858) 20.835 3.129 ( 11.652 -5.302 -3.579) 13.292 3.277 ( 11.895 -10.552 9.277) 18.409 3.530 ( 14.500 -3.482 -13.073) 19.831 4.093 ( -10.026 -12.412 13.234) 20.730 4.205 ( -16.656 -0.751 7.785) 18.401 4.653 ( -4.021 3.482 3.022) 6.118 4.901 ( -2.111 10.515 2.318) 10.972 5.107 ( -2.985 18.304 7.963) 20.183 5.269 ( -0.105 10.731 -2.584) 11.038 5.514 ( -2.049 -10.647 -19.346) 22.178 5.671 ( -9.895 -0.857 -15.734) 18.606 5.889 ( 2.555 -3.754 3.519) 5.745 6.023 ( 8.239 -5.623 2.144) 10.203 6.458 ( -1.773 -7.403 9.771) 12.386 6.569 ( 7.261 -1.853 2.352) 7.854 6.802 ( 6.319 -1.704 1.080) 6.633 7.243 ( 0.156 -9.141 -4.516) 10.197 7.470 ( 3.059 -9.575 -2.226) 10.296 7.694 ( 8.913 -7.070 5.099) 12.467 7.853 ( -3.298 -2.583 -0.047) 4.189 7.995 ( -4.012 -10.590 2.509) 11.599 8.122 ( -1.973 -11.551 6.816) 13.556 8.497 ( -7.826 -3.621 -6.339) 10.703 8.900 ( 2.470 -7.865 5.693) 10.019 8.971 ( 5.989 -6.296 -2.439) 9.025 9.316 ( -5.229 -2.005 7.079) 9.027 9.553 ( 1.827 -1.267 -4.763) 5.256 9.585 ( -2.252 -1.727 -9.734) 10.139 9.747 ( -6.050 2.020 1.698) 6.601 9.904 ( -1.027 -1.205 -9.413) 9.545 10.057 ( -3.891 -2.164 -4.583) 6.390 10.261 ( -4.782 0.280 -2.056) 5.213 10.490 ( -0.054 1.586 -7.656) 7.819 10.594 ( -3.083 2.827 0.757) 4.251 10.846 ( -3.856 3.123 -2.252) 5.449 10.925 ( -1.223 -0.543 5.324) 5.489 11.001 ( -1.425 7.635 3.560) 8.543 11.151 ( -1.207 5.575 -0.503) 5.726 11.308 ( 0.543 7.546 -1.662) 7.746 11.786 ( 2.968 0.308 5.648) 6.388 11.952 ( 1.257 1.377 0.599) 1.958 12.051 ( -1.984 -1.493 -2.048) 3.219 12.107 ( 0.743 3.298 -1.508) 3.702 12.288 ( 2.438 5.312 4.665) 7.478 12.581 ( -0.823 -0.508 -1.237) 1.571 12.608 ( 1.769 0.565 3.141) 3.649 12.731 ( 1.932 -1.148 1.830) 2.898 12.879 ( 7.148 6.143 3.157) 9.940 13.117 ( -2.966 0.462 5.484) 6.252 13.535 ( 0.283 4.447 4.740) 6.506 13.656 ( 0.798 4.362 -4.447) 6.280 13.705 ( -2.472 6.642 2.727) 7.593 13.932 ( 3.366 5.449 -6.409) 9.061 ======================= Grid point 189 (91/140) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.263 ( -0.104 -5.689 11.488) 12.819 3.400 ( 12.633 -10.257 -2.944) 16.537 3.563 ( -2.248 -9.616 9.842) 13.943 3.715 ( 15.384 -5.203 -1.652) 16.323 4.101 ( -6.756 3.221 8.967) 11.680 4.332 ( -5.699 -9.646 16.156) 19.661 4.508 ( -7.737 7.365 -1.106) 10.739 4.678 ( -2.210 14.469 4.312) 15.259 4.755 ( 3.742 10.516 1.534) 11.266 5.082 ( -5.453 4.091 -5.351) 8.666 5.505 ( -7.200 2.245 -15.947) 17.640 5.559 ( -7.433 -4.976 -13.683) 16.347 6.060 ( 4.399 -4.565 -1.107) 6.436 6.267 ( 8.902 -8.965 3.358) 13.073 6.530 ( 3.552 -0.177 0.722) 3.629 6.690 ( 1.112 -0.217 7.832) 7.914 6.881 ( 3.262 -3.387 6.552) 8.065 7.384 ( -2.076 -5.983 2.371) 6.762 7.636 ( 4.843 -4.748 -5.871) 8.970 7.825 ( -6.284 -0.943 4.578) 7.832 7.930 ( 6.568 -8.124 1.653) 10.577 8.201 ( 0.838 -11.327 -4.065) 12.064 8.370 ( -0.897 -12.801 4.617) 13.637 8.541 ( -4.514 -7.915 -6.637) 11.273 9.112 ( 3.196 -4.481 -0.764) 5.557 9.113 ( 2.031 -9.117 6.808) 11.558 9.351 ( -1.216 -3.661 4.284) 5.765 9.484 ( -9.829 2.543 -3.981) 10.905 9.583 ( 1.633 -1.085 -7.186) 7.448 9.778 ( 1.160 -7.108 0.733) 7.239 9.911 ( 0.799 -2.051 -9.666) 9.913 10.046 ( -4.245 -1.530 -5.137) 6.837 10.183 ( -1.976 3.727 -2.469) 4.888 10.434 ( 1.001 2.861 -0.433) 3.061 10.501 ( -3.339 4.700 -0.963) 5.845 10.719 ( -0.221 9.018 -5.733) 10.688 10.825 ( 2.027 8.438 1.794) 8.861 10.944 ( -2.876 -1.919 5.149) 6.202 11.054 ( -0.802 2.645 -0.028) 2.765 11.207 ( -1.279 2.670 0.771) 3.059 11.756 ( -0.419 4.998 6.617) 8.303 11.931 ( -0.162 0.777 -0.387) 0.883 11.998 ( -1.748 3.082 -0.756) 3.623 12.128 ( 1.890 -0.053 3.370) 3.864 12.230 ( 1.073 2.902 -0.403) 3.120 12.548 ( -6.335 2.118 1.608) 6.870 12.630 ( 1.447 -0.428 -0.666) 1.650 12.693 ( 2.939 2.117 -2.116) 4.195 12.918 ( 9.200 1.174 5.722) 10.898 13.088 ( -2.102 1.502 3.160) 4.081 13.467 ( -0.528 3.515 3.554) 5.027 13.550 ( 0.493 5.291 -2.037) 5.691 13.600 ( -3.187 2.643 4.215) 5.908 13.834 ( 2.915 5.684 -5.127) 8.191 ======================= Grid point 190 (92/140) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.320 ( 0.427 7.180 10.407) 12.651 3.581 ( 1.851 -3.238 2.147) 4.304 3.740 ( -3.294 -6.496 4.298) 8.457 3.796 ( 0.050 10.809 5.552) 12.152 4.078 ( 3.329 -1.497 3.477) 5.041 4.213 ( -2.287 3.270 -1.210) 4.170 4.360 ( -7.726 5.586 10.499) 14.182 4.468 ( 0.213 4.933 9.397) 10.615 4.871 ( 6.443 -9.364 -2.157) 11.570 5.085 ( -5.634 -12.148 -0.953) 13.425 5.373 ( -5.951 0.848 -15.779) 16.886 5.584 ( 2.088 -3.749 -11.882) 12.633 6.005 ( 1.432 14.170 8.240) 16.454 6.429 ( -3.347 -3.237 -0.890) 4.740 6.587 ( 7.134 -1.099 1.050) 7.294 6.665 ( -2.078 0.361 -1.932) 2.860 6.991 ( 0.613 -1.123 11.719) 11.788 7.439 ( -2.069 -0.915 7.525) 7.858 7.672 ( 5.483 3.695 -6.376) 9.186 7.837 ( -5.558 -5.017 -2.995) 8.064 8.116 ( 5.362 -4.439 1.558) 7.133 8.375 ( 4.468 -4.931 -5.367) 8.549 8.566 ( -0.369 -6.005 1.333) 6.162 8.626 ( -4.016 -4.232 -4.153) 7.161 9.170 ( 0.372 -1.892 0.833) 2.100 9.264 ( -2.551 -2.544 7.358) 8.192 9.360 ( -2.730 2.583 -3.978) 5.472 9.493 ( 3.732 -7.669 5.396) 10.093 9.638 ( 0.710 -6.945 -5.039) 8.610 9.881 ( -2.206 2.565 -1.525) 3.710 9.924 ( -0.508 0.232 -4.534) 4.569 10.038 ( -0.050 -5.842 -3.910) 7.030 10.145 ( 3.219 -1.120 -2.300) 4.112 10.368 ( -2.350 3.148 -7.253) 8.249 10.426 ( 2.638 0.062 3.316) 4.238 10.500 ( -1.761 6.875 -1.105) 7.182 10.791 ( 4.766 0.362 -1.440) 4.992 10.968 ( -5.972 -3.113 1.930) 7.005 11.061 ( 4.031 -1.647 2.674) 5.110 11.154 ( -2.758 1.935 1.753) 3.798 11.662 ( -3.710 4.202 6.089) 8.276 11.897 ( -0.142 6.160 4.891) 7.866 11.927 ( -2.743 0.966 -0.551) 2.960 12.107 ( 4.994 3.896 1.436) 6.495 12.192 ( -0.521 1.308 -2.174) 2.589 12.418 ( -9.822 2.826 -0.062) 10.221 12.653 ( 2.195 -1.526 -0.392) 2.702 12.743 ( 4.662 -1.952 -2.630) 5.698 12.952 ( 2.563 2.030 3.088) 4.497 13.062 ( -0.274 0.711 1.069) 1.312 13.418 ( -1.835 1.567 3.539) 4.283 13.480 ( 0.717 1.648 -0.866) 1.995 13.578 ( -2.017 -1.319 4.326) 4.952 13.744 ( 2.252 4.568 -3.679) 6.283 ======================= Grid point 191 (93/140) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.058 ( 2.422 21.566 14.533) 26.118 3.298 ( -0.078 29.437 8.043) 30.516 3.668 ( -4.573 2.569 -4.361) 6.821 3.702 ( -4.479 7.757 -7.082) 11.419 4.143 ( -5.872 -7.813 2.487) 10.085 4.250 ( -0.541 -11.317 3.406) 11.831 4.450 ( -0.919 -7.038 12.904) 14.727 4.561 ( 4.373 -8.954 9.181) 13.549 5.035 ( -0.399 -6.181 -6.876) 9.255 5.271 ( -4.529 -0.290 -6.058) 7.569 5.376 ( -0.590 -9.324 6.668) 11.478 5.511 ( 4.041 10.794 -3.118) 11.940 5.848 ( 8.790 0.639 3.250) 9.394 6.358 ( -3.873 5.040 -7.749) 10.022 6.593 ( -8.804 -0.143 0.385) 8.814 6.676 ( 4.823 1.232 -3.325) 5.986 6.960 ( -3.031 6.301 10.522) 12.633 7.463 ( 1.160 0.170 7.458) 7.550 7.583 ( 4.720 7.722 -6.628) 11.218 7.837 ( -4.100 0.240 -7.599) 8.638 8.181 ( 2.903 1.552 0.673) 3.360 8.394 ( 1.791 4.853 -6.791) 8.537 8.539 ( -1.525 7.430 0.855) 7.633 8.615 ( 1.461 2.428 -0.237) 2.843 9.201 ( -2.932 0.944 1.642) 3.491 9.269 ( 2.257 6.161 2.314) 6.957 9.310 ( -2.504 -4.585 5.596) 7.655 9.578 ( 2.743 6.695 -0.135) 7.237 9.717 ( -3.219 2.078 0.842) 3.923 9.809 ( 0.876 -5.314 3.096) 6.212 10.018 ( 5.138 -8.092 -6.933) 11.830 10.059 ( -1.620 -1.034 -3.085) 3.635 10.255 ( 6.469 -5.850 -1.274) 8.814 10.349 ( -1.371 -4.692 -7.237) 8.734 10.470 ( -6.100 -5.849 1.749) 8.630 10.573 ( 4.701 -9.548 -0.882) 10.679 10.835 ( 2.309 -1.787 -0.011) 2.920 10.997 ( -2.641 -4.013 -1.340) 4.987 11.104 ( -3.214 0.810 4.535) 5.616 11.158 ( 4.802 -2.845 1.485) 5.776 11.579 ( -3.544 3.039 5.882) 7.510 11.723 ( -1.403 9.030 2.719) 9.535 11.944 ( -4.878 -4.020 7.511) 9.817 12.079 ( 2.125 2.167 0.103) 3.037 12.195 ( 6.671 0.541 -1.484) 6.856 12.285 ( -7.372 2.932 -2.686) 8.376 12.703 ( 0.930 -1.073 -1.116) 1.806 12.782 ( 0.563 -0.338 -4.053) 4.106 12.949 ( 0.280 -0.969 2.377) 2.582 13.039 ( -1.515 0.888 -1.045) 2.044 13.395 ( -2.612 0.072 5.009) 5.650 13.505 ( 1.208 -3.211 -0.033) 3.431 13.615 ( -0.003 -1.585 0.638) 1.709 13.700 ( 1.363 -0.444 -2.239) 2.659 ======================= Grid point 192 (94/140) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 5.352 22.088 22.697) 32.119 2.780 ( 4.444 28.683 16.289) 33.283 3.400 ( -0.987 11.350 -16.074) 19.703 3.521 ( -3.555 6.923 -17.397) 19.058 4.333 ( -6.558 -12.069 6.227) 15.081 4.552 ( 0.718 -11.967 9.431) 15.254 4.599 ( -4.390 -8.438 8.733) 12.913 4.637 ( -4.233 9.414 19.670) 22.213 5.072 ( -1.634 -3.082 -4.402) 5.617 5.123 ( 0.816 -0.289 8.310) 8.355 5.472 ( 9.411 -5.340 -7.417) 13.119 5.654 ( 0.937 -8.202 -7.924) 11.443 5.989 ( 12.356 -1.130 1.452) 12.493 6.169 ( -3.403 6.059 -10.297) 12.423 6.476 ( -10.812 2.530 -2.078) 11.297 6.627 ( -3.322 4.321 2.013) 5.810 6.795 ( -1.304 10.269 5.119) 11.548 7.444 ( 6.022 8.790 -8.483) 13.619 7.462 ( 1.974 4.463 5.451) 7.317 7.705 ( -2.202 7.939 -7.977) 11.468 8.123 ( -2.228 4.671 -0.635) 5.214 8.225 ( 0.121 9.890 -1.962) 10.084 8.350 ( -1.989 10.908 4.683) 12.037 8.547 ( 7.090 7.564 -2.933) 10.774 9.046 ( -5.561 9.706 3.901) 11.847 9.209 ( 1.648 3.552 2.428) 4.608 9.345 ( -6.318 0.627 1.881) 6.621 9.493 ( 7.227 3.365 3.067) 8.542 9.657 ( 1.108 2.379 1.208) 2.889 9.874 ( -4.290 -0.233 -2.073) 4.770 10.072 ( 0.755 -6.375 -2.849) 7.023 10.247 ( 4.862 -4.640 -2.329) 7.113 10.408 ( -3.083 -6.667 -2.441) 7.741 10.478 ( 4.055 -9.010 -0.104) 9.881 10.523 ( -5.635 -6.331 -3.229) 9.069 10.795 ( 5.217 -7.789 -4.282) 10.307 10.898 ( -3.908 -5.326 2.473) 7.053 11.063 ( -2.535 -3.175 2.910) 4.997 11.122 ( -1.107 -5.586 -0.107) 5.696 11.234 ( 3.984 -0.570 -0.412) 4.045 11.528 ( -1.230 0.879 4.614) 4.856 11.616 ( 2.331 2.922 5.875) 6.963 12.009 ( -1.337 -1.442 6.326) 6.624 12.098 ( -1.147 -3.943 5.174) 6.606 12.160 ( -3.472 3.464 -2.272) 5.405 12.280 ( 8.163 -2.883 -3.164) 9.217 12.668 ( -1.186 3.475 -1.892) 4.130 12.748 ( -3.288 1.066 -3.367) 4.826 13.003 ( -5.237 -2.821 -3.502) 6.903 13.026 ( 4.106 -1.499 2.588) 5.080 13.399 ( -2.023 -0.721 7.051) 7.371 13.589 ( 0.405 -4.214 -1.212) 4.403 13.654 ( 0.567 -3.589 0.616) 3.686 13.775 ( 1.516 -5.829 -4.021) 7.241 ======================= Grid point 196 (95/140) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 13.007 -0.000 23.479) 26.841 2.981 ( 23.421 -0.000 19.044) 30.186 3.215 ( 14.476 -0.000 -26.132) 29.874 3.376 ( 11.620 -0.000 -20.225) 23.326 3.848 ( -15.029 0.000 8.139) 17.091 4.117 ( -20.702 0.000 5.971) 21.546 4.755 ( -1.514 0.000 22.722) 22.772 5.119 ( 7.781 -0.000 -14.696) 16.629 5.281 ( -8.257 0.000 -5.804) 10.093 5.387 ( 1.060 -0.000 -9.021) 9.083 5.493 ( -7.553 0.000 14.242) 16.121 5.612 ( 1.656 -0.000 -9.211) 9.359 5.898 ( 2.420 -0.000 4.097) 4.759 6.119 ( -6.450 0.000 16.629) 17.836 6.123 ( -2.131 0.000 -9.081) 9.328 6.556 ( 2.055 -0.000 -0.510) 2.118 6.688 ( 9.945 -0.000 -8.566) 13.126 7.057 ( 6.482 -0.000 -6.210) 8.976 7.197 ( 3.285 -0.000 3.196) 4.584 7.534 ( 11.723 -0.000 4.399) 12.521 7.723 ( -2.079 0.000 4.123) 4.618 7.853 ( -3.641 0.000 9.690) 10.352 7.864 ( -5.120 0.000 2.714) 5.795 8.447 ( -14.979 0.000 -3.489) 15.380 8.741 ( 4.686 -0.000 2.922) 5.522 8.835 ( 8.852 -0.000 -3.676) 9.585 9.265 ( -8.383 0.000 9.899) 12.971 9.516 ( 1.496 -0.000 -7.387) 7.537 9.571 ( 7.324 -0.000 -9.350) 11.877 9.789 ( -17.222 0.000 -1.002) 17.251 9.944 ( -5.245 0.000 -0.064) 5.245 9.953 ( 6.027 -0.000 -8.578) 10.483 10.249 ( -5.722 0.000 -2.549) 6.264 10.474 ( -1.972 0.000 -10.525) 10.709 10.633 ( -2.232 0.000 -0.432) 2.273 10.860 ( -10.381 0.000 -2.600) 10.702 10.977 ( 3.645 -0.000 4.076) 5.468 11.191 ( -0.586 0.000 5.998) 6.027 11.256 ( -1.171 0.000 4.694) 4.838 11.500 ( -0.973 0.000 -0.849) 1.291 11.632 ( 0.836 -0.000 4.196) 4.278 12.001 ( 3.454 -0.000 -6.876) 7.695 12.147 ( 3.890 -0.000 -9.146) 9.939 12.161 ( -2.542 0.000 0.562) 2.603 12.416 ( -2.473 0.000 10.536) 10.823 12.561 ( -0.135 0.000 -2.650) 2.654 12.654 ( 7.129 -0.000 1.916) 7.382 12.683 ( 3.051 -0.000 6.721) 7.381 13.007 ( 4.833 -0.000 1.412) 5.035 13.129 ( -4.667 0.000 9.418) 10.511 13.645 ( -0.490 0.000 5.432) 5.454 13.739 ( 1.548 -0.000 -6.435) 6.619 13.884 ( -0.958 0.000 1.612) 1.875 14.053 ( 3.910 -0.000 -8.913) 9.733 ======================= Grid point 197 (96/140) ======================= q-point: ( 0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 6.816 -5.559 15.540) 17.857 3.187 ( 8.624 2.682 -5.294) 10.469 3.264 ( 15.253 -3.167 1.441) 15.645 3.492 ( 5.270 -7.322 -10.349) 13.729 3.851 ( -2.074 -7.995 5.183) 9.751 4.037 ( -11.623 -4.364 8.255) 14.909 4.720 ( -5.866 5.188 10.760) 13.308 5.066 ( -1.244 6.548 1.109) 6.757 5.258 ( -3.706 -4.593 -11.390) 12.828 5.354 ( -4.416 8.108 6.797) 11.465 5.426 ( -8.207 -6.209 -15.654) 18.734 5.561 ( 5.016 10.162 0.825) 11.363 5.906 ( -4.026 5.147 -1.639) 6.737 5.971 ( 3.547 -4.954 1.083) 6.188 6.293 ( -3.576 -10.143 7.872) 13.328 6.619 ( 9.253 -1.101 5.697) 10.922 6.795 ( 7.245 -4.406 -7.413) 11.263 7.130 ( 5.531 -3.650 -4.579) 8.056 7.319 ( 3.467 -7.800 2.560) 8.912 7.681 ( 9.036 -3.678 4.705) 10.831 7.770 ( -0.033 -4.268 1.362) 4.480 7.828 ( -6.499 -2.705 5.185) 8.743 7.939 ( -2.876 -7.491 7.638) 11.078 8.327 ( -13.407 -2.632 -3.980) 14.231 8.839 ( 6.911 -3.902 2.859) 8.436 8.934 ( 7.881 -3.207 -3.219) 9.097 9.237 ( -7.512 -1.959 7.066) 10.497 9.512 ( -0.149 -0.641 -13.118) 13.135 9.565 ( -2.087 1.882 -1.498) 3.184 9.674 ( -9.526 -1.916 0.556) 9.733 9.889 ( 1.518 1.228 -6.109) 6.414 9.997 ( 1.787 -1.306 -8.763) 9.038 10.205 ( -4.878 -0.706 -0.669) 4.975 10.445 ( -0.454 -1.283 -11.195) 11.278 10.613 ( -2.024 0.574 0.629) 2.196 10.783 ( -8.373 -1.424 -1.668) 8.655 10.991 ( 2.997 2.939 6.386) 7.642 11.122 ( -0.623 5.795 5.653) 8.120 11.249 ( -0.203 3.252 2.567) 4.148 11.441 ( 0.392 5.240 -3.148) 6.125 11.716 ( -0.676 -6.225 5.118) 8.087 12.003 ( -0.145 -0.819 -6.195) 6.251 12.063 ( -0.400 6.019 -1.405) 6.193 12.145 ( -0.025 1.630 -4.836) 5.103 12.387 ( -3.103 2.203 8.293) 9.124 12.560 ( 0.202 -0.576 -2.626) 2.696 12.676 ( 3.266 2.735 4.557) 6.238 12.746 ( 3.321 -0.494 2.668) 4.288 13.042 ( 7.582 2.711 4.705) 9.325 13.113 ( -3.866 0.328 8.473) 9.319 13.621 ( -1.128 3.162 4.919) 5.955 13.711 ( 1.139 2.343 -5.410) 6.005 13.827 ( -0.592 5.428 1.345) 5.623 14.028 ( 3.648 3.354 -8.362) 9.720 ======================= Grid point 198 (97/140) ======================= q-point: (-0.44 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( -6.189 -3.386 7.696) 10.440 3.291 ( -2.165 -11.200 7.466) 13.633 3.413 ( 7.797 -4.410 -4.510) 10.029 3.698 ( 7.663 -8.653 -0.104) 11.558 4.062 ( 2.525 -6.659 10.122) 12.376 4.152 ( 5.750 -8.218 11.241) 15.065 4.578 ( -5.180 5.763 0.592) 7.772 4.887 ( -0.800 10.391 1.194) 10.490 5.086 ( -4.285 13.811 6.713) 15.943 5.250 ( -3.332 14.564 1.238) 14.992 5.321 ( -6.650 -2.384 -12.913) 14.719 5.386 ( -10.273 -2.673 -19.978) 22.623 5.948 ( -0.459 -7.794 3.558) 8.580 6.147 ( 5.924 -8.381 -3.650) 10.893 6.471 ( -0.990 -7.812 7.449) 10.839 6.753 ( 7.939 -0.254 6.535) 10.286 6.893 ( 5.448 -2.229 -0.688) 5.926 7.262 ( 4.102 -6.628 -2.084) 8.069 7.520 ( 2.593 -8.621 0.854) 9.043 7.792 ( -3.942 -0.654 0.916) 4.100 7.837 ( 2.864 -6.239 5.879) 9.038 7.957 ( -0.032 -11.548 -0.817) 11.577 8.133 ( -1.329 -12.084 5.938) 13.530 8.331 ( -5.038 -7.471 -5.669) 10.646 9.014 ( 7.039 -6.603 4.516) 10.655 9.048 ( 2.688 -4.154 -0.818) 5.015 9.260 ( -4.302 -4.261 3.683) 7.087 9.404 ( -11.431 0.661 -6.987) 13.414 9.564 ( 2.443 -0.954 -5.257) 5.875 9.681 ( -1.323 -3.458 0.766) 3.781 9.880 ( 3.024 -0.184 -9.916) 10.369 9.988 ( 0.312 0.138 -7.993) 8.000 10.177 ( -4.199 -0.111 -0.023) 4.201 10.440 ( 0.417 -0.840 -10.409) 10.452 10.579 ( 0.484 2.690 3.479) 4.425 10.746 ( -5.738 -0.533 -0.732) 5.809 10.964 ( 0.669 3.394 7.521) 8.278 11.022 ( 1.663 6.734 3.156) 7.621 11.149 ( 1.269 7.096 -1.440) 7.351 11.299 ( -0.285 7.431 -2.890) 7.979 11.836 ( -1.216 -2.896 5.168) 6.048 11.918 ( -2.529 3.164 -2.671) 4.852 12.013 ( -3.823 0.215 1.702) 4.191 12.094 ( 1.566 1.271 -4.197) 4.656 12.344 ( -0.650 3.067 6.694) 7.392 12.549 ( -2.647 1.866 -0.257) 3.249 12.653 ( 0.897 1.400 2.575) 3.066 12.756 ( 3.709 2.208 -1.475) 4.561 13.067 ( 8.105 3.463 6.252) 10.806 13.094 ( -3.533 0.625 5.786) 6.808 13.541 ( -2.402 4.503 3.131) 5.988 13.642 ( 0.512 4.241 -2.873) 5.148 13.699 ( 0.008 7.250 2.465) 7.658 13.949 ( 2.851 5.242 -6.757) 9.015 ======================= Grid point 199 (98/140) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.259 ( -8.962 -8.436 11.311) 16.715 3.449 ( -15.853 -13.154 9.170) 22.548 3.624 ( 14.915 -4.144 -4.548) 16.134 3.887 ( 4.397 -4.367 1.729) 6.434 4.153 ( 6.558 2.658 9.353) 11.728 4.364 ( -7.944 11.418 -0.314) 13.913 4.391 ( 1.551 -3.035 15.229) 15.606 4.717 ( 1.986 12.361 7.303) 14.494 4.861 ( 7.437 4.453 0.717) 8.698 4.954 ( -5.807 6.484 -1.567) 8.844 5.232 ( -11.676 -1.990 -15.101) 19.192 5.417 ( 1.008 -9.292 -20.238) 22.292 6.085 ( -6.262 -6.097 5.218) 10.180 6.312 ( 1.901 -5.089 -3.502) 6.463 6.588 ( -1.853 -0.963 6.797) 7.110 6.720 ( 0.396 3.561 -0.270) 3.593 7.023 ( 6.916 -2.281 8.409) 11.124 7.409 ( 2.657 -4.349 3.738) 6.320 7.658 ( -1.556 -6.074 -2.971) 6.939 7.776 ( 1.598 1.390 -0.075) 2.119 8.018 ( 1.210 -8.979 3.000) 9.544 8.211 ( 3.285 -13.195 -5.032) 14.499 8.374 ( -2.177 -12.566 2.080) 12.921 8.460 ( 0.890 -8.293 -4.521) 9.488 9.111 ( -3.225 -3.283 3.011) 5.500 9.194 ( -2.613 -3.398 4.841) 6.466 9.318 ( -0.430 -5.164 -0.327) 5.192 9.373 ( 0.842 -6.311 -0.945) 6.437 9.578 ( 2.218 -0.357 -5.941) 6.352 9.797 ( 0.611 -7.917 -4.112) 8.943 9.885 ( 2.831 -0.671 -7.088) 7.662 9.966 ( -1.430 -0.207 -4.423) 4.653 10.141 ( -2.089 -0.020 -0.106) 2.092 10.391 ( -1.754 3.854 -6.306) 7.596 10.541 ( 5.054 4.551 4.012) 7.897 10.670 ( -2.247 5.786 -3.570) 7.160 10.878 ( 2.988 6.972 1.006) 7.651 10.931 ( -0.887 3.614 3.397) 5.039 11.073 ( 1.887 0.612 0.502) 2.046 11.187 ( -0.837 3.039 -1.013) 3.311 11.753 ( -2.793 5.531 5.276) 8.138 11.917 ( -4.481 1.207 0.459) 4.663 11.979 ( 1.382 0.201 1.729) 2.222 12.108 ( -1.995 -2.418 -0.968) 3.281 12.287 ( 1.574 4.720 5.559) 7.460 12.416 ( -8.335 5.769 0.541) 10.151 12.663 ( 2.162 0.009 -1.026) 2.394 12.758 ( 5.499 0.442 -3.364) 6.462 13.038 ( -2.432 3.467 5.254) 6.749 13.092 ( 3.571 1.609 2.793) 4.811 13.444 ( -3.828 3.193 2.579) 5.612 13.548 ( 0.695 4.847 -1.545) 5.134 13.604 ( 0.101 3.497 5.022) 6.120 13.850 ( 2.216 5.406 -5.221) 7.835 ======================= Grid point 200 (99/140) ======================= q-point: (-0.22 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( -5.085 -1.191 10.502) 11.729 3.613 ( -5.326 -7.450 3.374) 9.759 3.645 ( -1.799 2.183 2.613) 3.851 3.838 ( 0.062 17.377 6.850) 18.678 4.075 ( -7.247 6.942 -0.439) 10.045 4.176 ( 4.050 2.104 1.086) 4.692 4.412 ( 1.123 -0.404 13.758) 13.810 4.561 ( 5.054 3.805 6.695) 9.211 4.909 ( -1.910 -3.785 -7.633) 8.731 5.071 ( 4.884 -10.892 4.301) 12.689 5.188 ( -4.170 -7.198 -9.996) 13.005 5.589 ( 7.650 -8.608 -17.237) 20.730 6.032 ( -6.856 8.033 10.454) 14.860 6.331 ( -3.849 0.537 -2.535) 4.640 6.507 ( -9.149 0.613 2.104) 9.408 6.742 ( 3.767 0.460 1.814) 4.206 7.078 ( 1.947 3.415 7.443) 8.418 7.488 ( 2.144 -1.051 7.158) 7.546 7.725 ( -4.230 -0.314 0.219) 4.247 7.749 ( 6.216 0.655 -10.121) 11.896 8.176 ( 0.723 -4.752 1.428) 5.015 8.395 ( 0.279 -3.831 -6.751) 7.767 8.559 ( -0.729 -6.369 -1.549) 6.595 8.595 ( 4.220 -4.680 -1.483) 6.474 9.144 ( -5.460 -3.266 2.740) 6.927 9.213 ( -2.974 -3.837 5.627) 7.431 9.396 ( 4.709 2.665 -0.119) 5.411 9.576 ( -1.260 -10.929 4.057) 11.726 9.618 ( 3.348 -3.554 -6.322) 7.988 9.815 ( -1.901 1.752 -4.633) 5.305 9.941 ( 4.774 -0.693 -0.371) 4.838 10.006 ( -0.840 -6.265 -3.599) 7.274 10.183 ( 0.926 -4.556 -2.906) 5.483 10.258 ( -4.048 2.792 -4.423) 6.614 10.475 ( 0.476 8.540 -2.274) 8.850 10.547 ( 7.273 0.996 1.313) 7.457 10.851 ( 0.816 2.295 -0.407) 2.469 10.890 ( -1.911 -3.412 0.396) 3.931 11.088 ( -2.106 0.072 0.049) 2.108 11.178 ( 4.252 -0.972 2.704) 5.132 11.662 ( -0.344 4.444 6.845) 8.169 11.831 ( -6.204 2.339 -1.217) 6.741 11.925 ( -2.643 5.971 9.517) 11.542 12.129 ( -0.344 0.113 -1.175) 1.229 12.259 ( -6.940 1.504 -2.657) 7.582 12.267 ( 6.153 1.678 3.249) 7.157 12.685 ( 1.929 -0.927 -1.550) 2.643 12.783 ( 2.860 0.637 -4.721) 5.556 12.955 ( -4.630 2.739 3.658) 6.506 13.079 ( 1.703 2.581 0.418) 3.121 13.380 ( -4.066 0.639 3.289) 5.269 13.492 ( 0.562 1.057 0.584) 1.332 13.592 ( 0.545 -0.470 3.139) 3.220 13.758 ( 1.604 4.377 -3.420) 5.782 ======================= Grid point 201 (100/140) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 3.218 16.707 14.417) 22.301 3.371 ( 3.322 24.057 6.106) 25.041 3.575 ( -2.797 9.911 -1.601) 10.422 3.604 ( -1.675 7.430 -6.525) 10.029 4.069 ( -4.383 -10.278 5.145) 12.301 4.259 ( -2.546 -13.236 7.031) 15.202 4.482 ( -2.560 -3.517 8.842) 9.855 4.688 ( 3.504 -4.575 5.665) 8.080 4.916 ( -7.053 -3.847 -6.886) 10.581 5.205 ( 0.761 -2.893 -4.339) 5.270 5.430 ( 2.214 -13.359 0.772) 13.563 5.609 ( 8.676 10.604 2.531) 13.933 5.987 ( 5.174 -7.465 -1.195) 9.161 6.232 ( -4.744 4.942 -7.721) 10.322 6.415 ( -9.699 2.438 2.439) 10.294 6.718 ( -0.520 4.430 4.626) 6.426 6.982 ( -0.121 8.296 3.760) 9.109 7.534 ( 1.902 0.709 3.466) 4.016 7.635 ( 2.340 6.413 1.886) 7.082 7.750 ( 1.331 1.499 -11.038) 11.219 8.185 ( -2.257 3.548 -0.978) 4.317 8.350 ( -1.790 3.825 -4.245) 5.988 8.538 ( 0.328 6.993 1.725) 7.210 8.691 ( 7.073 1.166 -3.755) 8.093 9.136 ( -4.489 1.982 1.895) 5.260 9.289 ( -4.634 -1.194 7.744) 9.103 9.325 ( 2.829 4.669 1.150) 5.579 9.616 ( 0.322 1.202 -0.211) 1.262 9.648 ( -2.655 2.539 -0.400) 3.696 9.881 ( 4.841 -6.225 1.668) 8.060 9.989 ( -0.961 3.972 -6.785) 7.921 10.090 ( 3.135 -9.704 -4.679) 11.220 10.257 ( -3.537 -8.241 -1.302) 9.062 10.310 ( 0.624 -8.913 -5.480) 10.481 10.425 ( 1.242 -0.318 -0.767) 1.494 10.643 ( 2.376 -6.179 0.689) 6.656 10.817 ( -3.686 -1.003 -1.166) 3.994 10.971 ( -0.028 -4.660 -0.872) 4.741 11.063 ( -2.546 -0.359 1.647) 3.053 11.251 ( 3.312 -1.104 2.087) 4.067 11.597 ( 2.073 4.846 6.147) 8.097 11.743 ( 1.221 4.359 4.068) 6.086 11.878 ( -7.253 -5.049 9.627) 13.068 12.075 ( -1.719 2.168 -3.107) 4.161 12.226 ( 1.341 1.016 -0.346) 1.718 12.335 ( 8.682 -0.640 1.832) 8.896 12.702 ( -0.723 0.056 -1.893) 2.028 12.738 ( -1.031 3.211 -4.860) 5.916 12.898 ( -6.076 -1.152 0.588) 6.212 13.051 ( 1.634 0.978 0.807) 2.068 13.372 ( -2.690 -1.511 4.470) 5.431 13.517 ( -0.068 -2.848 0.135) 2.852 13.626 ( 0.510 -1.132 0.790) 1.472 13.713 ( 1.453 -0.345 -2.421) 2.845 ======================= Grid point 206 (101/140) ======================= q-point: (-0.56 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( -11.445 0.000 15.134) 18.974 3.210 ( -20.311 0.000 -3.104) 20.547 3.355 ( 17.131 -0.000 -21.077) 27.161 3.461 ( 19.142 -0.000 4.355) 19.631 3.821 ( 11.444 -0.000 1.923) 11.604 3.970 ( 1.747 -0.000 12.351) 12.474 4.750 ( -9.879 0.000 11.861) 15.436 5.111 ( -10.223 0.000 -3.832) 10.918 5.136 ( -0.475 0.000 0.029) 0.475 5.227 ( -7.433 0.000 -20.773) 22.063 5.440 ( -7.872 0.000 14.307) 16.330 5.734 ( 14.818 -0.000 -7.100) 16.431 5.913 ( -3.545 0.000 -3.684) 5.112 6.036 ( -10.184 0.000 20.706) 23.075 6.067 ( 2.445 -0.000 -10.281) 10.567 6.723 ( 11.973 -0.000 9.055) 15.012 6.778 ( 7.323 -0.000 -11.800) 13.888 7.134 ( 5.308 -0.000 -4.865) 7.200 7.287 ( 4.122 -0.000 5.671) 7.011 7.723 ( 3.767 -0.000 4.582) 5.932 7.736 ( 0.776 -0.000 3.735) 3.815 7.780 ( -4.542 0.000 -0.547) 4.575 7.850 ( -3.305 0.000 11.175) 11.654 8.179 ( -10.503 0.000 -1.946) 10.682 8.883 ( 10.495 -0.000 0.678) 10.516 8.955 ( 5.277 -0.000 -2.042) 5.658 9.172 ( -6.186 0.000 3.855) 7.288 9.418 ( -12.861 0.000 -11.478) 17.238 9.567 ( -3.815 0.000 6.313) 7.376 9.608 ( 1.724 -0.000 -4.939) 5.231 9.905 ( 2.849 -0.000 -5.379) 6.087 9.985 ( 4.770 -0.000 -13.561) 14.375 10.160 ( -3.744 0.000 0.781) 3.824 10.400 ( 0.190 -0.000 -9.927) 9.928 10.606 ( -0.329 0.000 -0.442) 0.551 10.687 ( -7.405 0.000 -2.082) 7.693 11.073 ( 3.687 -0.000 7.627) 8.472 11.222 ( 0.240 -0.000 5.584) 5.589 11.266 ( -1.267 0.000 5.090) 5.245 11.471 ( -1.295 0.000 -2.422) 2.746 11.668 ( 0.757 -0.000 3.245) 3.332 11.963 ( -2.446 0.000 -7.862) 8.233 12.096 ( -4.176 0.000 -1.777) 4.538 12.162 ( 2.852 -0.000 -5.509) 6.204 12.380 ( -6.259 0.000 8.319) 10.410 12.552 ( 1.240 -0.000 -3.367) 3.588 12.741 ( -1.056 0.000 5.651) 5.749 12.789 ( 6.818 -0.000 1.573) 6.997 13.110 ( -3.747 0.000 9.450) 10.165 13.142 ( 6.443 -0.000 5.981) 8.791 13.654 ( -1.842 0.000 4.618) 4.972 13.732 ( 1.872 -0.000 -4.900) 5.245 13.879 ( -0.421 0.000 0.547) 0.690 14.068 ( 3.778 -0.000 -9.481) 10.206 ======================= Grid point 207 (102/140) ======================= q-point: (-0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.985 ( -22.954 -6.820 9.238) 25.666 3.026 ( -23.842 -4.876 5.987) 25.061 3.466 ( 17.149 -1.642 -16.345) 23.748 3.636 ( 11.446 -3.042 4.413) 12.639 4.019 ( 14.594 -6.771 0.795) 16.108 4.150 ( 13.264 -5.973 14.634) 20.634 4.638 ( -8.140 4.737 7.548) 12.069 4.973 ( -11.732 2.341 -3.027) 12.340 5.120 ( -4.655 -1.394 -11.500) 12.485 5.166 ( -8.284 -3.647 -10.895) 14.165 5.316 ( -6.353 9.146 10.599) 15.373 5.620 ( -0.981 17.460 2.463) 17.660 5.844 ( -1.301 -0.674 -0.333) 1.503 6.068 ( 10.073 -5.819 -4.816) 12.590 6.279 ( -2.464 -12.494 7.264) 14.661 6.819 ( 4.554 -0.707 -6.047) 7.603 6.880 ( 9.724 -3.509 4.514) 11.280 7.193 ( 4.114 -3.784 -5.779) 8.040 7.403 ( 3.294 -6.148 5.729) 9.026 7.727 ( -5.791 -1.029 1.188) 6.001 7.764 ( -3.770 -3.519 2.598) 5.775 7.812 ( 2.349 -5.255 3.227) 6.599 7.938 ( -3.040 -7.426 7.434) 10.938 8.179 ( 1.623 -4.603 -1.618) 5.142 8.994 ( 1.652 -2.043 0.409) 2.659 9.014 ( 8.443 -3.097 0.751) 9.025 9.160 ( -4.124 -2.567 0.105) 4.859 9.275 ( -12.750 -0.802 -5.750) 14.010 9.561 ( 0.891 0.057 -1.061) 1.386 9.625 ( -0.297 -1.801 -0.223) 1.839 9.904 ( 5.223 1.748 -9.123) 10.657 9.987 ( 3.648 -0.017 -10.623) 11.233 10.142 ( -2.012 -0.252 0.133) 2.032 10.393 ( 1.087 -1.396 -8.866) 9.040 10.608 ( 1.287 -0.226 0.912) 1.593 10.662 ( -4.315 -2.485 -1.381) 5.167 11.087 ( 2.761 4.350 8.689) 10.102 11.151 ( 0.140 5.251 5.059) 7.293 11.265 ( 0.395 3.160 2.355) 3.961 11.416 ( -0.796 4.770 -5.024) 6.973 11.723 ( -1.563 -4.845 3.898) 6.412 11.923 ( -3.460 -0.296 -5.198) 6.251 12.015 ( -5.005 3.174 0.614) 5.959 12.147 ( 2.906 2.170 -4.673) 5.916 12.355 ( -5.166 -0.202 7.742) 9.310 12.558 ( 1.154 -0.041 -2.712) 2.948 12.707 ( -2.340 2.956 4.814) 6.115 12.831 ( 5.282 1.562 0.258) 5.514 13.096 ( -3.683 0.919 8.099) 8.945 13.192 ( 4.916 1.661 5.630) 7.656 13.608 ( -2.995 3.736 2.842) 5.568 13.713 ( 1.984 2.649 -2.436) 4.110 13.828 ( 0.067 4.906 0.003) 4.906 14.037 ( 2.979 3.409 -8.443) 9.580 ======================= Grid point 208 (103/140) ======================= q-point: (-0.33 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.957 ( -22.579 -11.745 5.803) 26.105 3.047 ( -24.310 -13.121 13.575) 30.780 3.646 ( 17.152 -5.377 -10.530) 20.832 3.814 ( 5.083 -6.230 6.433) 10.297 4.268 ( 12.994 -4.321 0.322) 13.698 4.395 ( 9.605 -3.359 15.827) 18.816 4.490 ( -5.916 7.374 6.861) 11.681 4.849 ( -6.321 0.469 -2.981) 7.004 5.028 ( -6.988 8.724 4.819) 12.172 5.109 ( -4.317 5.893 -2.863) 7.846 5.134 ( -3.455 -4.052 -17.557) 18.347 5.274 ( 0.654 13.822 -2.598) 14.079 5.882 ( -6.227 -5.183 4.120) 9.089 6.251 ( 8.098 -5.328 -4.562) 10.713 6.502 ( -1.399 -9.010 8.101) 12.197 6.776 ( -3.787 3.758 -4.491) 6.974 7.048 ( 7.509 -4.006 5.694) 10.240 7.322 ( 4.234 -7.461 -6.411) 10.710 7.546 ( -1.398 -4.383 4.891) 6.715 7.747 ( -1.406 -5.043 -1.877) 5.562 7.858 ( -2.018 -8.153 3.438) 9.076 7.990 ( 4.092 -9.751 0.031) 10.574 8.105 ( -4.421 -11.908 3.674) 13.222 8.333 ( 6.619 -7.149 -2.372) 10.028 9.015 ( -7.895 -2.615 3.099) 8.876 9.110 ( -5.391 -3.266 0.308) 6.311 9.206 ( 0.662 -6.273 0.923) 6.375 9.286 ( 6.245 -4.042 -2.993) 8.019 9.572 ( 1.183 -0.784 -3.457) 3.737 9.680 ( 0.546 -4.185 -1.076) 4.356 9.884 ( 4.384 1.285 -9.550) 10.586 9.987 ( 4.504 1.216 -5.863) 7.493 10.123 ( -1.426 0.619 -1.344) 2.055 10.408 ( 2.128 -0.470 -7.447) 7.759 10.633 ( 1.471 0.765 2.373) 2.895 10.674 ( -0.288 -0.958 0.145) 1.011 11.018 ( 1.288 5.434 4.986) 7.487 11.088 ( 2.635 5.529 5.772) 8.416 11.167 ( 1.938 7.424 -2.287) 8.006 11.260 ( -1.708 6.904 -4.672) 8.509 11.796 ( -5.493 -1.308 2.962) 6.376 11.879 ( -1.445 -0.204 1.052) 1.799 11.944 ( -4.540 -0.549 1.908) 4.955 12.122 ( 3.062 2.051 -2.510) 4.459 12.330 ( -5.344 0.838 7.498) 9.246 12.502 ( -2.321 6.086 0.679) 6.549 12.666 ( -0.089 -0.036 0.201) 0.222 12.832 ( 5.246 2.415 -1.445) 5.953 13.053 ( -5.318 1.698 5.374) 7.749 13.196 ( 3.514 3.055 3.722) 5.961 13.494 ( -4.390 4.810 2.035) 6.823 13.652 ( 1.641 4.920 -0.255) 5.193 13.718 ( 0.551 6.270 1.156) 6.399 13.952 ( 2.011 5.122 -6.767) 8.722 ======================= Grid point 209 (104/140) ======================= q-point: (-0.22 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.080 ( -17.359 -15.865 7.872) 24.799 3.189 ( -19.463 -18.700 10.096) 28.817 3.800 ( 7.008 1.351 -3.259) 7.846 3.972 ( 4.175 -3.002 3.604) 6.280 4.255 ( -4.971 12.980 3.031) 14.226 4.336 ( 9.136 6.139 2.291) 11.243 4.522 ( 1.966 3.702 15.993) 16.533 4.771 ( -1.888 8.637 3.689) 9.579 4.840 ( -2.995 2.844 -0.083) 4.131 4.959 ( -5.162 -4.435 -2.577) 7.277 5.098 ( 9.614 2.090 0.563) 9.854 5.356 ( 6.243 -14.134 -22.598) 27.376 5.919 ( -12.777 -4.982 4.934) 14.575 6.366 ( 3.838 -1.750 -0.148) 4.221 6.506 ( -8.229 6.283 0.459) 10.364 6.738 ( -0.230 -3.547 4.657) 5.858 7.152 ( 2.754 0.130 4.849) 5.578 7.479 ( 3.807 -5.504 -3.886) 7.738 7.590 ( -4.161 -3.592 1.692) 5.751 7.823 ( 3.055 -1.167 -3.729) 4.960 8.036 ( 0.666 -9.371 3.155) 9.910 8.225 ( -0.246 -10.967 -5.446) 12.247 8.333 ( -1.072 -13.989 1.117) 14.075 8.519 ( 6.067 -6.861 -2.211) 9.422 9.013 ( -8.491 -4.939 3.305) 10.364 9.143 ( -2.609 -3.281 4.946) 6.484 9.360 ( -1.564 -9.858 -1.036) 10.035 9.432 ( 7.713 -3.306 -0.324) 8.398 9.587 ( 1.576 -0.889 -4.407) 4.764 9.772 ( 1.119 -3.973 -3.005) 5.106 9.901 ( 2.994 -2.303 -5.946) 7.044 9.984 ( 4.347 1.266 -1.321) 4.717 10.110 ( 0.976 -1.011 -3.219) 3.512 10.361 ( 1.139 6.211 -2.932) 6.962 10.604 ( -1.201 2.740 -1.496) 3.345 10.663 ( 4.690 4.288 -0.104) 6.355 10.936 ( 2.672 5.565 1.325) 6.314 10.947 ( 1.202 9.908 -0.420) 9.989 11.085 ( -0.491 1.162 -0.022) 1.261 11.197 ( 2.547 -0.544 0.604) 2.674 11.714 ( -6.423 2.416 4.943) 8.457 11.863 ( -0.650 3.233 2.923) 4.407 11.986 ( -3.491 -3.074 4.034) 6.157 12.085 ( -2.281 1.609 2.434) 3.704 12.252 ( -5.972 3.586 -0.273) 6.971 12.377 ( 2.551 4.526 3.777) 6.423 12.678 ( 0.850 -0.721 -2.889) 3.096 12.833 ( 4.960 1.717 -2.676) 5.892 12.970 ( -6.652 2.590 2.423) 7.538 13.160 ( 1.598 3.689 1.697) 4.364 13.388 ( -4.077 2.908 3.557) 6.142 13.561 ( 1.066 5.207 -0.175) 5.318 13.633 ( 0.258 3.264 2.894) 4.370 13.850 ( 1.171 5.067 -4.980) 7.200 ======================= Grid point 210 (105/140) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( -11.798 -11.069 5.808) 17.189 3.472 ( -9.959 -19.495 5.060) 22.468 3.698 ( 2.190 11.612 2.653) 12.111 3.884 ( 0.715 15.976 6.773) 17.367 4.008 ( -1.196 7.363 3.804) 8.373 4.239 ( 1.323 8.437 3.750) 9.327 4.466 ( -1.817 1.821 6.043) 6.568 4.667 ( -0.901 0.807 2.128) 2.448 4.814 ( 1.231 -1.459 -5.394) 5.721 5.146 ( 5.797 -6.829 -2.780) 9.380 5.238 ( 7.035 -8.537 6.195) 12.678 5.636 ( 8.599 -12.415 -17.780) 23.328 5.873 ( -15.074 -2.880 6.572) 16.695 6.287 ( -2.740 7.954 1.158) 8.492 6.410 ( -1.473 0.321 2.473) 2.897 6.787 ( -0.608 0.876 5.502) 5.604 7.116 ( -1.091 5.022 3.022) 5.962 7.548 ( 0.380 -0.771 1.393) 1.637 7.633 ( -3.716 -3.705 -3.415) 6.261 7.831 ( 7.191 2.958 -4.015) 8.751 8.183 ( -0.460 -2.761 0.343) 2.820 8.308 ( -4.194 -3.752 -5.703) 8.012 8.572 ( 1.486 -6.222 0.452) 6.413 8.680 ( 5.394 -5.987 -2.372) 8.400 9.071 ( -3.224 -4.406 1.876) 5.774 9.218 ( -1.474 -4.340 5.888) 7.461 9.468 ( 2.712 4.710 0.662) 5.475 9.513 ( -4.013 -6.790 -0.122) 7.888 9.649 ( 2.414 -4.413 -5.225) 7.253 9.804 ( 0.436 -2.742 3.099) 4.161 9.976 ( 0.659 -4.174 -3.370) 5.405 10.074 ( 7.478 2.465 -1.656) 8.046 10.097 ( -1.158 -4.775 -8.670) 9.965 10.251 ( 1.900 3.811 -0.143) 4.260 10.471 ( 0.313 6.079 -2.012) 6.411 10.648 ( 3.452 1.862 -1.345) 4.146 10.802 ( -2.826 3.789 -2.418) 5.309 10.910 ( 0.823 -0.797 1.617) 1.982 11.069 ( 0.422 1.070 -0.078) 1.152 11.258 ( 2.339 -1.457 2.785) 3.918 11.686 ( -3.862 -3.573 4.678) 7.040 11.764 ( 0.405 7.207 5.913) 9.331 11.900 ( -7.188 4.912 10.723) 13.812 12.099 ( -1.217 1.860 -3.992) 4.569 12.182 ( -0.454 -4.222 -2.537) 4.947 12.395 ( 5.806 0.078 5.042) 7.690 12.682 ( -0.887 -0.190 -3.309) 3.431 12.814 ( 3.414 3.584 -3.687) 6.172 12.868 ( -5.595 2.508 0.807) 6.184 13.101 ( 0.093 3.153 0.686) 3.228 13.342 ( -2.288 -0.004 4.145) 4.735 13.498 ( -0.202 1.365 0.270) 1.406 13.615 ( 0.377 -0.260 1.489) 1.558 13.756 ( 0.151 3.917 -2.754) 4.790 ======================= Grid point 216 (106/140) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( -28.728 0.000 14.297) 32.089 2.728 ( -32.334 0.000 3.988) 32.579 3.536 ( 15.026 -0.000 -15.327) 21.464 3.723 ( 7.272 -0.000 -1.946) 7.528 4.080 ( 12.183 -0.000 4.006) 12.825 4.248 ( 17.663 -0.000 12.725) 21.769 4.655 ( -4.238 0.000 10.277) 11.117 4.831 ( -18.361 0.000 -4.936) 19.013 4.963 ( -6.804 0.000 -23.601) 24.562 5.127 ( -2.606 0.000 6.489) 6.993 5.392 ( -7.018 0.000 13.713) 15.405 5.817 ( -2.998 0.000 0.810) 3.105 5.932 ( 10.685 -0.000 -6.871) 12.703 6.035 ( -4.772 0.000 16.971) 17.629 6.105 ( 9.198 -0.000 -9.984) 13.575 6.798 ( 2.441 -0.000 -12.299) 12.539 6.957 ( 8.299 -0.000 5.643) 10.036 7.151 ( 0.357 -0.000 -7.889) 7.897 7.395 ( 3.233 -0.000 8.729) 9.309 7.663 ( -8.372 0.000 -6.963) 10.890 7.678 ( -6.143 0.000 5.837) 8.474 7.758 ( -2.148 0.000 4.066) 4.598 7.904 ( 3.275 -0.000 11.791) 12.237 8.182 ( 8.732 -0.000 -1.255) 8.822 8.970 ( -2.028 0.000 0.210) 2.039 9.010 ( -7.932 0.000 -2.193) 8.229 9.105 ( -2.979 0.000 -1.448) 3.312 9.199 ( 6.147 -0.000 -2.210) 6.532 9.562 ( -1.304 0.000 -0.044) 1.305 9.607 ( 0.396 -0.000 0.664) 0.773 9.965 ( 8.120 -0.000 -9.030) 12.144 9.984 ( 4.030 -0.000 -8.244) 9.177 10.136 ( 1.447 -0.000 -2.784) 3.138 10.366 ( 1.259 -0.000 -6.219) 6.345 10.600 ( -1.237 0.000 -2.467) 2.759 10.626 ( 2.740 -0.000 0.886) 2.880 11.176 ( 1.693 -0.000 8.981) 9.139 11.256 ( 0.305 -0.000 3.998) 4.009 11.271 ( -1.010 0.000 5.980) 6.065 11.422 ( -2.196 0.000 -5.625) 6.038 11.690 ( 0.140 -0.000 1.849) 1.854 11.866 ( -3.934 0.000 -3.166) 5.050 12.000 ( -6.478 0.000 -0.024) 6.478 12.176 ( 2.354 -0.000 -5.194) 5.703 12.332 ( -3.890 0.000 7.447) 8.402 12.559 ( 1.177 -0.000 -2.307) 2.589 12.723 ( -3.867 0.000 4.018) 5.577 12.889 ( 3.923 -0.000 -0.268) 3.932 13.106 ( -3.015 0.000 9.315) 9.791 13.250 ( 2.341 -0.000 4.636) 5.193 13.629 ( -3.443 0.000 1.724) 3.850 13.753 ( 2.433 -0.000 -1.225) 2.724 13.872 ( -0.042 0.000 -1.542) 1.543 14.071 ( 2.718 -0.000 -8.803) 9.213 ======================= Grid point 217 (107/140) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -31.314 -8.137 7.181) 33.141 2.625 ( -29.520 -10.616 16.650) 35.515 3.648 ( 12.173 -3.781 -13.237) 18.376 3.761 ( -4.393 -4.406 5.461) 8.279 4.231 ( 5.790 -5.950 0.195) 8.304 4.463 ( 12.191 -1.330 9.456) 15.486 4.642 ( 4.514 3.936 9.691) 11.392 4.701 ( -9.187 -2.295 -3.692) 10.163 4.907 ( -3.090 -5.933 -23.502) 24.435 5.097 ( -2.995 2.988 5.552) 6.980 5.277 ( -5.370 9.221 11.190) 15.462 5.594 ( -2.470 16.383 4.634) 17.204 5.893 ( 5.855 3.727 0.732) 6.979 6.215 ( 9.095 -4.187 -7.620) 12.582 6.283 ( -1.770 -14.102 7.362) 16.006 6.762 ( -5.106 1.048 -9.284) 10.647 7.041 ( 4.942 -2.689 1.694) 5.875 7.188 ( 1.115 -5.981 -9.733) 11.478 7.479 ( 0.091 -3.669 7.599) 8.439 7.609 ( -6.571 -4.142 -6.519) 10.140 7.704 ( -2.031 -5.166 5.510) 7.821 7.828 ( -2.988 -8.290 2.910) 9.280 8.002 ( 5.503 -2.233 10.778) 12.306 8.292 ( 9.192 -3.590 -3.902) 10.612 8.892 ( -13.959 -1.018 -0.080) 13.996 8.996 ( -2.902 -3.783 0.498) 4.793 9.101 ( -3.291 -3.086 -1.387) 4.720 9.318 ( 13.083 -1.873 -1.063) 13.259 9.551 ( -0.737 -0.521 -1.545) 1.789 9.633 ( 1.255 -1.762 1.824) 2.829 9.956 ( 6.944 3.258 -8.200) 11.228 10.032 ( 6.634 -0.105 -4.573) 8.058 10.139 ( 3.669 0.856 -5.904) 7.004 10.384 ( 2.509 -1.666 -5.074) 5.901 10.621 ( 0.149 -2.048 -1.316) 2.439 10.670 ( 4.771 -1.264 1.920) 5.296 11.162 ( 0.586 6.763 5.105) 8.493 11.182 ( -0.602 1.818 7.421) 7.664 11.286 ( 0.063 3.721 1.063) 3.871 11.355 ( -1.609 3.803 -6.429) 7.641 11.708 ( -2.135 -2.139 2.429) 3.877 11.858 ( -2.146 -1.961 0.851) 3.029 11.917 ( -7.240 1.959 2.134) 7.798 12.170 ( 2.607 1.245 -4.362) 5.232 12.322 ( -3.204 0.546 7.202) 7.901 12.558 ( -0.188 0.955 -0.933) 1.349 12.675 ( -3.370 1.767 2.668) 4.647 12.902 ( 2.867 1.047 -1.520) 3.410 13.074 ( -4.189 3.021 7.484) 9.094 13.265 ( 0.921 1.158 3.195) 3.521 13.549 ( -4.969 4.307 0.501) 6.595 13.746 ( 1.771 2.740 1.039) 3.424 13.826 ( 0.594 4.222 -2.292) 4.840 14.033 ( 2.009 3.442 -7.634) 8.611 ======================= Grid point 218 (108/140) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( -25.510 -18.728 7.750) 32.581 2.694 ( -26.253 -16.465 16.948) 35.320 3.790 ( 5.480 -4.905 -10.087) 12.484 3.886 ( -2.520 -9.952 2.503) 10.566 4.359 ( -7.490 -4.861 8.279) 12.177 4.487 ( 3.728 4.737 3.747) 7.098 4.632 ( 4.417 2.689 4.623) 6.936 4.721 ( 3.379 0.049 2.870) 4.433 4.961 ( -4.488 8.439 5.657) 11.107 5.037 ( 1.525 0.224 -7.737) 7.889 5.097 ( 2.846 -2.341 -7.320) 8.195 5.312 ( 3.911 11.604 3.806) 12.823 5.875 ( 3.121 3.703 3.773) 6.139 6.325 ( 2.604 -3.702 -4.812) 6.606 6.495 ( -3.289 -4.637 2.057) 6.046 6.652 ( -6.713 -1.674 -0.804) 6.966 7.150 ( 1.812 -3.385 1.692) 4.196 7.315 ( 1.434 -8.858 -11.187) 14.341 7.536 ( -2.978 -2.178 1.578) 4.013 7.691 ( -2.524 -9.299 -2.820) 10.040 7.865 ( 0.448 -10.544 2.535) 10.854 8.013 ( -1.446 -11.288 -0.453) 11.389 8.135 ( 3.740 -5.044 8.970) 10.950 8.439 ( 6.579 -5.916 -5.424) 10.378 8.844 ( -9.576 -5.021 2.548) 11.109 9.061 ( -2.969 -3.988 6.389) 8.095 9.175 ( -0.770 -7.672 -3.842) 8.615 9.428 ( 1.779 -2.771 -1.111) 3.475 9.565 ( 2.336 -0.361 -1.914) 3.041 9.730 ( 7.848 -3.813 1.567) 8.864 9.933 ( 6.964 2.625 -7.746) 10.742 10.047 ( 2.561 2.522 -0.431) 3.621 10.150 ( 9.009 1.012 -6.943) 11.419 10.420 ( 2.556 -0.259 -4.087) 4.828 10.629 ( -0.171 1.282 1.198) 1.763 10.746 ( 4.493 0.127 0.454) 4.518 11.062 ( 1.453 5.778 1.455) 6.133 11.140 ( -0.892 4.601 1.305) 4.865 11.190 ( 1.849 6.659 -1.553) 7.083 11.213 ( 0.331 5.110 -0.076) 5.122 11.699 ( -7.335 1.288 2.875) 7.983 11.860 ( -4.701 -2.949 3.776) 6.712 11.906 ( -0.228 -1.923 4.695) 5.079 12.135 ( -1.121 3.547 0.280) 3.731 12.275 ( -4.148 2.931 2.904) 5.851 12.493 ( 1.017 4.510 1.957) 5.020 12.657 ( -0.623 -0.914 -0.474) 1.204 12.900 ( 3.508 1.388 -2.337) 4.438 12.965 ( -7.912 3.782 3.306) 9.372 13.236 ( 0.086 2.877 0.715) 2.966 13.427 ( -4.695 3.648 3.352) 6.826 13.685 ( 1.380 5.388 1.693) 5.814 13.724 ( 0.141 5.654 -1.329) 5.810 13.943 ( 1.323 5.158 -6.219) 8.187 ======================= Grid point 219 (109/140) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( -18.396 -21.538 8.512) 29.576 2.923 ( -17.816 -24.480 11.183) 32.276 3.837 ( 0.259 0.573 -4.305) 4.351 4.005 ( -1.470 -2.443 -6.989) 7.548 4.232 ( 0.092 12.105 4.869) 13.048 4.445 ( -0.108 7.402 7.980) 10.885 4.574 ( -3.370 8.657 9.757) 13.472 4.764 ( -6.659 9.577 7.299) 13.760 4.844 ( 11.828 -0.502 -4.288) 12.592 4.934 ( -3.286 -12.559 11.857) 17.582 5.255 ( 7.692 -1.984 -8.025) 11.292 5.396 ( 9.995 -12.193 -10.391) 18.883 5.792 ( -4.511 6.340 5.046) 9.274 6.350 ( -3.681 0.038 -5.278) 6.434 6.440 ( 1.527 2.176 0.669) 2.741 6.747 ( -2.678 -5.608 6.693) 9.133 7.167 ( -3.105 1.363 1.825) 3.851 7.467 ( 0.950 -8.459 -10.936) 13.858 7.532 ( -4.930 -0.733 0.834) 5.054 7.850 ( 2.997 -6.570 -1.695) 7.418 8.095 ( 2.799 -10.504 1.418) 10.963 8.137 ( -3.514 -3.964 -4.382) 6.875 8.358 ( 0.353 -13.927 4.319) 14.586 8.588 ( 2.828 -6.503 -4.166) 8.224 8.944 ( -0.532 -8.051 3.615) 8.841 9.131 ( -3.339 -4.387 7.476) 9.289 9.333 ( -0.274 -8.645 -1.679) 8.810 9.480 ( -1.264 -4.135 -2.367) 4.930 9.593 ( 2.161 -1.725 -2.556) 3.766 9.826 ( 2.686 2.749 6.674) 7.701 9.954 ( 5.875 0.063 -3.540) 6.859 10.022 ( 5.150 -0.796 -9.292) 10.653 10.202 ( 10.016 2.150 -2.221) 10.482 10.379 ( 2.402 5.471 -1.050) 6.067 10.574 ( -1.867 4.487 -0.613) 4.898 10.716 ( 2.279 3.500 -2.525) 4.881 10.931 ( 0.047 9.567 -4.963) 10.778 10.993 ( 1.758 8.320 2.453) 8.851 11.097 ( 1.600 1.446 0.512) 2.216 11.248 ( 1.375 -2.271 2.583) 3.704 11.613 ( -7.764 -0.074 5.938) 9.775 11.891 ( -6.911 -1.265 6.018) 9.251 11.926 ( -0.479 4.893 7.534) 8.996 12.040 ( -3.431 -1.260 2.736) 4.566 12.176 ( -1.345 3.657 -5.926) 7.092 12.477 ( 5.980 1.621 4.562) 7.694 12.659 ( -1.621 -0.012 -2.424) 2.916 12.841 ( -6.650 1.889 0.681) 6.946 12.903 ( 3.106 1.222 -4.268) 5.418 13.168 ( -0.735 3.774 -0.108) 3.846 13.359 ( -2.254 1.804 5.635) 6.332 13.576 ( 0.891 6.345 -0.692) 6.445 13.641 ( -0.708 2.564 1.412) 3.011 13.834 ( 0.184 5.158 -4.372) 6.765 ======================= Grid point 226 (110/140) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -32.925 0.000 13.268) 35.497 2.296 ( -30.700 0.000 20.240) 36.772 3.581 ( -26.791 0.000 14.402) 30.416 3.652 ( 6.978 -0.000 -14.242) 15.859 4.179 ( -4.141 0.000 -7.985) 8.994 4.601 ( 6.525 -0.000 -13.433) 14.934 4.630 ( 19.393 -0.000 3.033) 19.628 4.779 ( 0.615 -0.000 -14.225) 14.238 4.794 ( 7.749 -0.000 17.854) 19.463 5.131 ( -1.391 0.000 7.300) 7.431 5.357 ( -5.578 0.000 12.270) 13.478 5.818 ( -2.128 0.000 10.846) 11.052 6.011 ( 4.298 -0.000 -8.243) 9.296 6.053 ( -1.169 0.000 8.125) 8.209 6.229 ( 9.165 -0.000 -8.954) 12.812 6.687 ( -8.241 0.000 -9.887) 12.871 7.057 ( 2.485 -0.000 -1.144) 2.736 7.087 ( 0.872 -0.000 -12.673) 12.703 7.453 ( -4.107 0.000 8.249) 9.215 7.480 ( -6.574 0.000 -8.271) 10.565 7.669 ( 1.065 -0.000 5.611) 5.711 7.733 ( -2.059 0.000 5.609) 5.974 8.078 ( 7.109 -0.000 12.697) 14.551 8.315 ( 7.334 -0.000 -7.398) 10.417 8.753 ( -13.659 0.000 -0.810) 13.683 8.951 ( 1.133 -0.000 0.883) 1.436 9.034 ( -4.883 0.000 0.332) 4.895 9.368 ( 0.219 -0.000 -1.550) 1.566 9.581 ( 12.059 -0.000 -0.416) 12.066 9.635 ( 1.186 -0.000 3.621) 3.811 10.059 ( 8.304 -0.000 -9.382) 12.529 10.062 ( 6.730 -0.000 0.918) 6.792 10.172 ( 7.226 -0.000 -9.920) 12.273 10.378 ( 3.405 -0.000 -3.002) 4.540 10.600 ( 2.289 -0.000 -2.454) 3.356 10.710 ( 5.454 -0.000 3.242) 6.345 11.190 ( -4.822 0.000 8.146) 9.466 11.272 ( -1.067 0.000 1.939) 2.214 11.317 ( -4.581 0.000 -9.592) 10.630 11.337 ( 3.114 -0.000 7.629) 8.240 11.697 ( -0.450 0.000 1.668) 1.727 11.819 ( -1.196 0.000 2.137) 2.449 11.874 ( -8.630 0.000 2.039) 8.868 12.194 ( 3.407 -0.000 -4.192) 5.402 12.333 ( -1.487 0.000 7.102) 7.256 12.557 ( -0.874 0.000 0.034) 0.875 12.669 ( -3.765 0.000 1.776) 4.163 12.914 ( -0.132 0.000 -2.490) 2.493 13.105 ( -2.945 0.000 6.641) 7.265 13.283 ( -0.715 0.000 3.085) 3.167 13.548 ( -6.078 0.000 -1.471) 6.253 13.783 ( 0.164 -0.000 1.470) 1.479 13.869 ( 1.833 -0.000 -3.548) 3.993 14.062 ( 1.674 -0.000 -7.167) 7.360 ======================= Grid point 227 (111/140) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -28.707 -10.402 16.177) 34.554 2.231 ( -28.851 -12.075 23.076) 38.867 3.520 ( -28.022 -15.175 19.705) 37.467 3.689 ( 1.626 -4.187 -15.997) 16.615 4.122 ( -10.886 -5.292 -10.202) 15.830 4.698 ( 16.128 -0.956 -6.892) 17.565 4.720 ( 8.921 9.320 6.293) 14.354 4.806 ( 7.832 -6.153 -15.203) 18.175 4.925 ( 10.953 0.520 10.932) 15.484 5.102 ( -0.493 4.471 6.947) 8.276 5.268 ( -2.580 7.609 11.667) 14.166 5.590 ( -2.679 15.092 7.171) 16.922 6.021 ( 7.768 2.993 0.346) 8.332 6.228 ( -2.753 -8.275 -4.114) 9.643 6.322 ( 2.646 -7.941 -3.024) 8.900 6.567 ( -9.977 0.923 -5.734) 11.544 7.082 ( 1.471 -3.627 -4.729) 6.138 7.149 ( 1.139 -6.174 -10.717) 12.420 7.436 ( -5.263 -3.313 -4.471) 7.659 7.487 ( -6.911 -6.765 0.214) 9.674 7.741 ( 3.326 -4.116 3.876) 6.560 7.821 ( 0.182 -7.530 6.031) 9.649 8.165 ( 2.961 -0.345 11.623) 11.999 8.373 ( 3.743 -3.592 -9.365) 10.706 8.692 ( -6.568 -3.472 1.784) 7.641 9.004 ( -2.055 -2.026 10.377) 10.771 9.037 ( 1.560 -4.915 -6.980) 8.678 9.339 ( -7.888 -2.083 -1.079) 8.230 9.624 ( 3.545 2.236 2.524) 4.893 9.767 ( 16.103 -3.283 0.717) 16.450 10.047 ( 7.668 3.904 -6.328) 10.681 10.116 ( 3.887 1.565 -0.224) 4.197 10.227 ( 12.055 -0.390 -9.593) 15.411 10.417 ( 3.796 -0.911 -2.708) 4.751 10.638 ( 2.085 -1.431 -0.370) 2.556 10.777 ( 5.153 -0.734 2.627) 5.830 11.164 ( -4.061 1.596 5.511) 7.030 11.191 ( -3.942 2.567 -3.157) 5.665 11.218 ( -0.548 4.514 -1.244) 4.714 11.375 ( 3.075 3.500 2.812) 5.442 11.681 ( -2.826 1.300 2.386) 3.921 11.791 ( -8.380 0.458 3.378) 9.046 11.860 ( -0.387 -3.354 3.965) 5.208 12.201 ( 3.958 2.119 -2.137) 4.972 12.308 ( -3.849 2.823 5.400) 7.208 12.549 ( -0.364 0.267 1.026) 1.121 12.640 ( -1.378 0.190 1.166) 1.816 12.896 ( -2.780 -0.198 -3.543) 4.508 13.030 ( -4.308 5.760 2.565) 7.636 13.271 ( -1.427 1.150 1.583) 2.422 13.453 ( -6.262 2.843 1.812) 7.111 13.761 ( -1.053 2.187 1.025) 2.635 13.835 ( 2.470 4.535 -2.853) 5.900 14.022 ( 1.397 3.432 -6.192) 7.216 ======================= Grid point 228 (112/140) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -19.964 -22.829 14.500) 33.615 2.367 ( -23.285 -19.528 20.385) 36.594 3.685 ( -10.650 -10.637 -7.918) 17.008 3.792 ( -5.445 -13.109 -4.314) 14.836 4.206 ( -13.504 -16.914 8.531) 23.264 4.547 ( 3.517 14.086 6.258) 15.810 4.761 ( 4.263 8.643 2.389) 9.929 4.855 ( 1.262 5.558 8.968) 10.626 4.981 ( 8.302 5.285 0.815) 9.875 5.071 ( 4.513 6.575 0.684) 8.004 5.132 ( 6.461 -1.315 -8.586) 10.826 5.432 ( 6.097 2.720 5.983) 8.965 5.984 ( 4.559 8.463 2.134) 9.847 6.264 ( -2.562 -3.311 -9.883) 10.733 6.441 ( -1.462 -1.930 -3.033) 3.881 6.578 ( -4.046 -9.710 5.306) 11.782 7.125 ( -5.552 -1.826 -0.620) 5.878 7.270 ( 1.316 -8.925 -11.607) 14.700 7.450 ( -4.156 -3.133 -6.221) 8.111 7.636 ( -3.084 -13.500 -1.590) 13.938 7.901 ( 3.677 -8.335 -0.320) 9.116 8.021 ( 1.159 -10.280 4.079) 11.120 8.212 ( -2.467 -2.351 9.056) 9.676 8.460 ( 0.335 -6.197 -8.025) 10.145 8.796 ( 2.029 -8.110 4.394) 9.444 9.060 ( -2.004 -3.481 9.760) 10.554 9.177 ( 2.768 -7.223 -4.217) 8.810 9.339 ( -5.802 -5.479 -0.779) 8.018 9.609 ( 0.824 1.758 1.883) 2.705 9.946 ( 12.158 0.606 2.177) 12.366 10.027 ( 8.534 2.109 -6.045) 10.668 10.085 ( 3.851 4.046 -2.551) 6.140 10.319 ( 13.049 0.529 -4.759) 13.900 10.439 ( 1.825 0.561 -1.923) 2.710 10.645 ( 0.532 2.994 1.118) 3.240 10.788 ( 0.576 2.786 -1.414) 3.177 11.059 ( -0.272 5.033 -3.421) 6.091 11.138 ( 1.186 4.224 0.480) 4.413 11.194 ( -0.514 -1.500 1.001) 1.876 11.264 ( 1.971 9.270 3.612) 10.142 11.584 ( -8.182 3.104 3.865) 9.566 11.777 ( -6.637 -3.554 3.316) 8.226 11.941 ( -1.048 -3.450 7.439) 8.266 12.125 ( -2.045 8.055 5.550) 9.993 12.214 ( -0.646 3.119 -5.192) 6.091 12.561 ( 4.252 0.476 2.006) 4.726 12.648 ( -0.532 0.127 1.301) 1.412 12.803 ( -10.321 2.126 -3.127) 10.992 12.930 ( 1.342 1.484 -2.376) 3.106 13.221 ( -1.520 2.739 -0.746) 3.220 13.383 ( -3.678 1.303 6.842) 7.877 13.695 ( -1.353 3.465 0.412) 3.743 13.727 ( 1.790 7.706 -1.608) 8.073 13.929 ( 0.909 5.457 -5.322) 7.676 ======================= Grid point 236 (113/140) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -25.433 0.000 27.127) 37.185 1.934 ( -26.812 0.000 28.834) 39.374 3.117 ( -38.738 0.000 32.984) 50.878 3.599 ( -0.606 0.000 -20.893) 20.902 3.941 ( -8.817 0.000 -20.343) 22.172 4.755 ( 9.858 -0.000 -15.866) 18.679 4.821 ( 19.687 -0.000 -7.070) 20.918 5.013 ( 16.414 -0.000 9.468) 18.948 5.029 ( 6.907 -0.000 14.597) 16.148 5.162 ( 0.150 -0.000 7.454) 7.455 5.343 ( -3.203 0.000 10.105) 10.601 5.827 ( -7.971 0.000 21.145) 22.598 5.967 ( -4.363 0.000 -12.057) 12.822 6.103 ( 4.727 -0.000 -0.776) 4.790 6.263 ( 2.065 -0.000 -14.793) 14.937 6.493 ( -6.204 0.000 -2.119) 6.556 7.048 ( -1.454 0.000 -5.333) 5.528 7.053 ( 3.231 -0.000 -13.390) 13.774 7.339 ( -10.805 0.000 2.809) 11.164 7.344 ( -3.473 0.000 -9.885) 10.478 7.767 ( 6.861 -0.000 3.724) 7.807 7.778 ( 1.570 -0.000 8.738) 8.878 8.190 ( -4.630 0.000 10.115) 11.125 8.321 ( -0.269 0.000 -10.428) 10.432 8.643 ( 1.735 -0.000 4.311) 4.647 8.959 ( -3.914 0.000 1.804) 4.310 9.039 ( 7.378 -0.000 2.044) 7.656 9.239 ( -9.511 0.000 0.330) 9.517 9.675 ( 0.148 -0.000 4.302) 4.304 9.892 ( 19.595 -0.000 -1.857) 19.683 10.130 ( 5.285 -0.000 -6.164) 8.120 10.170 ( 4.587 -0.000 1.370) 4.787 10.300 ( 13.789 -0.000 -9.088) 16.514 10.447 ( 6.025 -0.000 -1.916) 6.322 10.634 ( 2.569 -0.000 -1.415) 2.933 10.822 ( 2.905 -0.000 4.048) 4.983 11.141 ( -6.035 0.000 9.239) 11.035 11.146 ( -4.986 0.000 -9.187) 10.453 11.283 ( -0.231 0.000 0.808) 0.840 11.435 ( 3.458 -0.000 6.635) 7.482 11.694 ( -1.377 0.000 2.219) 2.612 11.741 ( -7.968 0.000 2.271) 8.285 11.825 ( -0.314 0.000 1.974) 1.999 12.262 ( 6.408 -0.000 -1.996) 6.711 12.327 ( -4.268 0.000 6.340) 7.643 12.530 ( -2.844 0.000 2.061) 3.512 12.641 ( 0.328 -0.000 0.185) 0.377 12.842 ( -6.630 0.000 -5.169) 8.407 13.063 ( -3.049 0.000 -1.964) 3.627 13.271 ( -2.625 0.000 3.007) 3.991 13.428 ( -6.991 0.000 3.243) 7.707 13.768 ( -1.483 0.000 -1.090) 1.841 13.897 ( 2.670 -0.000 -1.571) 3.097 14.052 ( 1.364 -0.000 -5.454) 5.622 ======================= Grid point 237 (114/140) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -17.810 -10.538 29.139) 35.740 1.925 ( -23.378 -11.898 29.517) 39.489 3.163 ( -27.781 -23.742 32.431) 48.859 3.552 ( -3.436 -3.759 -20.995) 21.604 3.886 ( -6.568 -7.135 -17.894) 20.353 4.809 ( 5.644 2.855 -4.695) 7.877 4.956 ( 13.901 3.390 -4.672) 15.052 4.975 ( 5.151 7.384 11.818) 14.857 5.118 ( 10.693 2.521 -1.833) 11.138 5.155 ( 2.947 5.404 3.657) 7.160 5.363 ( 4.622 3.985 15.163) 16.345 5.563 ( -4.855 10.360 5.194) 12.564 6.043 ( -8.316 -4.032 -10.271) 13.817 6.162 ( 3.430 -3.476 0.728) 4.937 6.326 ( 1.464 -7.803 -5.328) 9.561 6.445 ( -2.476 -0.137 0.235) 2.491 7.021 ( -6.992 -1.816 -4.350) 8.433 7.106 ( 2.234 -5.841 -12.249) 13.753 7.324 ( -2.966 -4.076 -8.755) 10.103 7.356 ( -5.467 -9.325 -2.593) 11.116 7.849 ( 4.649 -3.024 4.059) 6.872 7.890 ( 4.106 -5.389 6.454) 9.357 8.165 ( -7.594 -1.321 7.327) 10.634 8.322 ( -2.779 -4.315 -8.872) 10.250 8.729 ( 5.043 -3.721 6.227) 8.835 8.982 ( -1.318 -4.361 2.664) 5.278 9.128 ( 4.792 -1.461 2.142) 5.449 9.205 ( -3.251 -3.782 0.974) 5.081 9.657 ( -1.694 2.079 3.429) 4.353 10.050 ( 14.515 -1.037 -6.196) 15.816 10.128 ( 5.414 2.833 -3.888) 7.242 10.192 ( 4.935 2.502 3.315) 6.450 10.406 ( 13.046 -1.015 -6.505) 14.613 10.482 ( 5.267 1.619 -1.580) 5.732 10.673 ( 1.468 -1.187 0.379) 1.925 10.816 ( -3.198 1.075 0.293) 3.387 11.097 ( 0.729 1.054 -3.386) 3.620 11.139 ( -3.323 -2.064 6.121) 7.264 11.237 ( 0.757 4.180 1.511) 4.509 11.446 ( 3.116 5.018 2.397) 6.375 11.615 ( -7.012 5.039 3.200) 9.209 11.694 ( -4.333 -0.708 2.625) 5.115 11.871 ( -0.866 -3.954 2.867) 4.960 12.235 ( -6.959 5.489 3.376) 9.484 12.288 ( 5.950 2.679 -1.328) 6.659 12.551 ( -0.811 -3.153 1.873) 3.757 12.658 ( 2.548 -0.797 0.575) 2.731 12.732 ( -11.761 2.253 -5.974) 13.383 12.985 ( -0.072 4.052 -2.329) 4.674 13.241 ( -2.974 1.331 1.153) 3.457 13.384 ( -4.817 0.417 8.423) 9.712 13.735 ( -1.047 1.832 -2.165) 3.023 13.866 ( 1.885 4.997 -0.763) 5.395 14.013 ( 1.266 3.600 -4.993) 6.284 ======================= Grid point 246 (115/140) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -13.041 0.000 37.439) 39.645 1.737 ( -17.101 0.000 36.910) 40.679 2.760 ( -25.974 0.000 47.446) 54.090 3.442 ( -0.406 0.000 -27.506) 27.509 3.702 ( -4.074 0.000 -23.319) 23.672 4.845 ( 6.843 -0.000 -8.264) 10.730 5.080 ( 3.088 -0.000 10.813) 11.245 5.170 ( 10.671 -0.000 -4.868) 11.729 5.197 ( 2.892 -0.000 1.801) 3.407 5.346 ( 14.024 -0.000 8.343) 16.317 5.393 ( 2.825 -0.000 9.741) 10.142 5.714 ( -12.835 0.000 -17.057) 21.347 5.792 ( -10.113 0.000 22.542) 24.706 6.192 ( 5.356 -0.000 -0.409) 5.372 6.201 ( 2.114 -0.000 -13.963) 14.122 6.447 ( -1.297 0.000 0.580) 1.421 6.921 ( -9.443 0.000 -6.654) 11.552 7.038 ( 3.436 -0.000 -11.335) 11.844 7.198 ( -4.546 0.000 -1.622) 4.827 7.242 ( -1.180 0.000 -12.304) 12.360 7.851 ( 0.226 -0.000 9.013) 9.016 7.932 ( 10.318 -0.000 1.124) 10.379 8.090 ( -9.322 0.000 5.782) 10.969 8.220 ( -4.664 0.000 -6.947) 8.367 8.743 ( 0.523 -0.000 6.507) 6.528 8.937 ( 1.090 -0.000 0.100) 1.094 9.155 ( 1.509 -0.000 4.598) 4.839 9.189 ( 7.594 -0.000 2.507) 7.997 9.658 ( -5.107 0.000 3.284) 6.072 10.114 ( 7.980 -0.000 -13.073) 15.316 10.189 ( 3.901 -0.000 -0.112) 3.903 10.274 ( 5.488 -0.000 4.959) 7.397 10.494 ( 12.445 -0.000 -5.312) 13.531 10.550 ( 7.015 -0.000 -2.558) 7.467 10.661 ( 0.821 -0.000 0.605) 1.020 10.773 ( -6.588 0.000 -0.113) 6.589 11.109 ( -3.430 0.000 9.386) 9.993 11.131 ( 5.249 -0.000 -2.187) 5.686 11.287 ( 0.334 -0.000 1.644) 1.678 11.533 ( 4.276 -0.000 4.182) 5.981 11.615 ( -8.015 0.000 3.659) 8.811 11.680 ( -2.001 0.000 0.949) 2.214 11.824 ( -0.059 0.000 0.006) 0.059 12.271 ( -5.402 0.000 5.575) 7.763 12.286 ( -6.311 0.000 -8.687) 10.738 12.505 ( 0.307 -0.000 1.359) 1.393 12.665 ( -5.957 0.000 -3.077) 6.705 12.670 ( 2.353 -0.000 -0.163) 2.359 13.038 ( 3.106 -0.000 -2.955) 4.287 13.227 ( -4.488 0.000 2.803) 5.292 13.374 ( -4.123 0.000 10.754) 11.517 13.736 ( -0.418 0.000 -3.365) 3.391 13.928 ( 1.269 -0.000 -0.071) 1.271 14.048 ( 1.473 -0.000 -4.523) 4.757 ======================= Grid point 247 (116/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 4.423 -0.000 -14.499) 15.159 2.537 ( -4.423 0.000 14.499) 15.159 2.624 ( 4.505 -0.000 -12.990) 13.749 2.624 ( -4.505 0.000 12.990) 13.749 4.211 ( 2.111 -0.000 -45.784) 45.833 4.211 ( -2.111 0.000 45.784) 45.833 5.155 ( 3.786 -0.000 -1.401) 4.036 5.155 ( -3.786 0.000 1.401) 4.036 5.315 ( -7.770 0.000 0.306) 7.776 5.315 ( 7.770 -0.000 -0.306) 7.776 5.677 ( -2.024 0.000 -3.493) 4.037 5.677 ( 2.024 -0.000 3.493) 4.037 5.976 ( 11.345 -0.000 -6.932) 13.296 5.976 ( -11.345 0.000 6.932) 13.296 6.458 ( -4.372 0.000 -4.111) 6.001 6.458 ( 4.372 -0.000 4.111) 6.001 6.639 ( 10.600 -0.000 -10.965) 15.251 6.639 ( -10.600 0.000 10.965) 15.251 7.115 ( -1.155 0.000 0.140) 1.163 7.115 ( 1.155 -0.000 -0.140) 1.163 8.017 ( 0.306 -0.000 -4.099) 4.111 8.017 ( -0.306 0.000 4.099) 4.111 8.064 ( 10.467 -0.000 -5.688) 11.913 8.064 ( -10.467 0.000 5.688) 11.913 8.864 ( 6.232 -0.000 -7.581) 9.813 8.864 ( -6.232 0.000 7.581) 9.813 9.369 ( -8.502 0.000 2.390) 8.832 9.369 ( 8.502 -0.000 -2.390) 8.832 9.746 ( 1.306 -0.000 -12.615) 12.682 9.746 ( -1.306 0.000 12.615) 12.682 10.299 ( -4.400 0.000 -1.045) 4.522 10.299 ( 4.400 -0.000 1.045) 4.522 10.572 ( -0.008 0.000 -0.484) 0.484 10.572 ( 0.008 -0.000 0.484) 0.484 10.733 ( -1.586 0.000 -1.083) 1.920 10.733 ( 1.586 -0.000 1.083) 1.920 11.193 ( -1.663 0.000 -0.404) 1.711 11.193 ( 1.663 -0.000 0.404) 1.711 11.423 ( -5.378 0.000 -3.912) 6.650 11.423 ( 5.378 -0.000 3.912) 6.650 11.723 ( 5.049 -0.000 -8.210) 9.638 11.723 ( -5.049 0.000 8.210) 9.638 11.858 ( -7.373 0.000 -7.581) 10.575 11.858 ( 7.373 -0.000 7.581) 10.575 12.400 ( 1.093 -0.000 -8.129) 8.202 12.400 ( -1.093 0.000 8.129) 8.202 12.664 ( 1.481 -0.000 -2.904) 3.260 12.664 ( -1.481 0.000 2.904) 3.260 13.153 ( -8.145 0.000 -0.476) 8.159 13.153 ( 8.145 -0.000 0.476) 8.159 13.594 ( 1.331 -0.000 -7.513) 7.630 13.594 ( -1.331 0.000 7.513) 7.630 13.969 ( 0.719 -0.000 -2.629) 2.726 13.969 ( -0.719 0.000 2.629) 2.726 ======================= Grid point 249 (117/140) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 7.365 -4.446 -29.583) 30.809 2.599 ( -0.014 -5.199 -33.065) 33.472 2.658 ( 3.985 -5.437 27.467) 28.282 2.827 ( 3.923 -8.840 32.672) 34.073 4.317 ( 9.086 -18.963 -42.886) 47.764 4.464 ( -2.668 -12.593 36.574) 38.773 5.002 ( -9.980 7.782 5.860) 13.946 5.107 ( -3.409 3.660 3.730) 6.240 5.168 ( -4.559 11.386 4.536) 13.076 5.309 ( 9.225 7.585 -9.639) 15.347 5.537 ( -1.841 8.330 -9.460) 12.738 5.631 ( 2.609 6.234 5.614) 8.786 5.967 ( -9.842 -4.856 -4.265) 11.774 6.135 ( 5.968 -5.087 3.174) 8.460 6.408 ( 1.411 0.748 -10.269) 10.392 6.454 ( 0.449 0.173 5.326) 5.347 6.673 ( -10.476 -7.485 17.214) 21.496 6.803 ( 11.140 -8.101 -6.930) 15.419 7.194 ( 0.414 -7.843 0.054) 7.854 7.218 ( 3.161 -8.314 1.001) 8.951 7.991 ( -6.456 -1.387 0.364) 6.613 8.054 ( -1.560 -4.047 1.433) 4.568 8.081 ( -1.398 -4.957 4.008) 6.526 8.178 ( 10.205 -3.797 -5.382) 12.147 8.877 ( -5.137 -4.022 5.941) 8.824 8.946 ( 6.031 -4.852 -6.521) 10.121 9.298 ( -8.883 -0.796 -0.289) 8.923 9.417 ( 4.104 -0.656 -6.207) 7.470 9.723 ( 0.589 0.478 -7.185) 7.225 9.781 ( -1.424 -1.018 12.806) 12.925 10.225 ( -8.006 2.168 0.687) 8.322 10.322 ( 1.686 0.263 1.755) 2.448 10.532 ( -4.045 2.019 -2.817) 5.327 10.552 ( -3.413 1.103 -0.721) 3.658 10.728 ( -2.064 -0.338 -0.515) 2.154 10.767 ( 3.284 -1.790 -1.304) 3.961 11.143 ( -3.768 2.713 -1.262) 4.811 11.189 ( 0.895 1.538 1.267) 2.185 11.323 ( -3.315 4.593 -3.198) 6.505 11.404 ( 2.924 6.820 3.432) 8.176 11.672 ( 0.994 3.483 1.614) 3.966 11.697 ( 5.209 3.360 -4.558) 7.694 11.880 ( -1.964 -6.347 -2.868) 7.236 12.003 ( 8.985 -3.014 5.955) 11.193 12.372 ( 1.492 2.295 -6.593) 7.138 12.402 ( 0.119 1.358 7.857) 7.975 12.658 ( -0.710 0.060 -0.378) 0.806 12.666 ( -0.019 0.052 0.446) 0.450 13.044 ( -7.977 3.063 -1.403) 8.659 13.180 ( 6.156 3.306 0.810) 7.034 13.580 ( 1.151 0.829 -5.658) 5.833 13.603 ( 0.597 0.711 4.590) 4.683 13.916 ( 0.077 4.820 -2.877) 5.614 13.923 ( -1.059 4.505 3.072) 5.555 ======================= Grid point 250 (118/140) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 2.973 -11.935 -26.369) 29.097 2.703 ( 9.434 -12.698 -22.797) 27.748 2.993 ( 9.879 -14.928 19.395) 26.393 3.150 ( 5.698 -10.404 29.621) 31.908 4.628 ( -8.949 4.165 9.912) 13.989 4.735 ( 9.296 -14.832 -21.404) 27.650 4.834 ( -0.161 -2.500 -7.762) 8.157 4.926 ( -13.551 2.874 12.429) 18.611 5.018 ( 2.815 6.774 2.098) 7.630 5.183 ( 4.867 8.788 -3.491) 10.635 5.291 ( -8.351 8.777 -4.991) 13.103 5.564 ( 7.373 4.272 0.408) 8.531 5.902 ( -6.839 1.655 -4.246) 8.218 6.272 ( 8.688 2.922 2.898) 9.614 6.299 ( -10.547 -2.027 0.083) 10.740 6.602 ( 6.019 -7.456 0.497) 9.596 6.820 ( -8.014 -10.340 18.749) 22.862 7.043 ( 9.989 -8.908 -8.263) 15.729 7.374 ( 1.094 -9.335 -2.651) 9.766 7.463 ( 3.868 -12.428 4.532) 13.782 7.988 ( -5.552 -3.700 -0.312) 6.679 8.143 ( -1.493 -5.646 1.817) 6.116 8.225 ( 0.998 -9.019 2.613) 9.442 8.343 ( 6.972 -6.896 -4.904) 10.964 8.947 ( -4.756 -6.167 2.644) 8.225 9.094 ( 0.968 -8.435 -2.256) 8.785 9.272 ( -2.663 -2.102 -1.097) 3.566 9.440 ( 0.202 -2.503 -7.650) 8.052 9.696 ( 0.550 0.832 -5.223) 5.317 9.820 ( -2.815 -1.029 11.128) 11.525 10.093 ( -8.738 3.887 0.661) 9.586 10.322 ( 2.992 3.223 -1.946) 4.809 10.415 ( -9.228 2.371 -1.639) 9.668 10.469 ( -5.062 3.191 -0.374) 5.995 10.676 ( -2.596 3.730 -0.233) 4.551 10.804 ( 3.119 2.246 -3.375) 5.115 11.036 ( -4.226 4.323 -0.552) 6.071 11.156 ( -1.987 3.088 4.260) 5.625 11.191 ( -0.866 6.376 -2.293) 6.831 11.292 ( 1.981 5.196 1.463) 5.750 11.614 ( 5.541 3.385 -3.649) 7.448 11.723 ( 6.728 -0.680 -0.451) 6.778 12.000 ( 1.479 -5.622 -0.924) 5.886 12.091 ( 2.306 0.368 1.686) 2.881 12.271 ( -1.144 6.812 -2.539) 7.359 12.436 ( 9.591 1.280 5.561) 11.160 12.636 ( -1.136 0.569 -3.050) 3.304 12.674 ( -1.935 -1.001 4.934) 5.394 12.925 ( -6.114 2.155 -1.178) 6.589 13.161 ( 3.943 3.255 1.211) 5.255 13.547 ( 0.368 1.822 -3.936) 4.353 13.592 ( 0.728 2.428 2.808) 3.783 13.791 ( 0.148 6.631 -3.201) 7.364 13.819 ( -0.492 5.977 3.247) 6.820 ======================= Grid point 251 (119/140) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.922 ( 5.589 -17.156 -15.652) 23.886 3.045 ( 10.325 -19.084 -15.442) 26.632 3.449 ( 8.761 -15.790 15.725) 23.945 3.462 ( 5.747 -10.625 21.006) 24.231 4.367 ( -5.735 13.160 1.360) 14.420 4.601 ( 1.727 11.872 -2.231) 12.202 4.749 ( -3.097 15.772 -0.333) 16.077 4.867 ( -0.974 10.889 -1.297) 11.010 4.940 ( -12.480 -2.141 11.525) 17.122 5.115 ( -4.873 0.129 -5.899) 7.652 5.376 ( 9.474 -21.368 -21.203) 31.558 5.557 ( -2.098 1.564 -3.273) 4.191 5.844 ( 5.281 4.095 -3.234) 7.424 6.136 ( -4.665 1.311 4.943) 6.922 6.411 ( -0.395 -4.434 5.003) 6.697 6.757 ( 4.814 -2.654 1.856) 5.802 7.021 ( -5.454 -10.844 17.685) 21.450 7.239 ( 7.389 -5.963 -11.111) 14.616 7.515 ( 1.270 -5.106 -3.797) 6.488 7.745 ( 4.612 -10.487 7.544) 13.717 8.024 ( -4.704 -4.039 -0.226) 6.204 8.232 ( -1.608 -4.580 -0.446) 4.875 8.442 ( 1.929 -11.106 2.547) 11.556 8.511 ( 2.294 -7.609 -4.606) 9.186 9.046 ( -3.232 -7.046 0.635) 7.778 9.253 ( -6.243 -8.297 1.982) 10.571 9.307 ( 5.474 -1.866 -2.946) 6.491 9.492 ( -1.207 -5.147 -4.355) 6.849 9.688 ( 1.399 -1.553 -6.940) 7.248 9.810 ( -5.186 2.744 9.099) 10.826 9.966 ( -5.954 1.000 0.535) 6.061 10.171 ( 0.769 10.083 -6.601) 12.076 10.305 ( -7.793 4.943 -0.448) 9.240 10.395 ( -1.895 0.376 1.758) 2.612 10.542 ( -0.237 8.613 -0.194) 8.618 10.722 ( -0.707 4.799 -2.256) 5.350 10.871 ( -3.694 8.925 1.129) 9.725 11.063 ( -2.297 3.979 -1.092) 4.723 11.075 ( 0.213 4.311 1.917) 4.722 11.287 ( 0.247 -1.329 0.916) 1.633 11.653 ( 7.353 -2.097 -2.241) 7.969 11.814 ( 7.234 -1.767 0.407) 7.458 12.029 ( 0.474 3.068 0.575) 3.157 12.055 ( -2.157 5.048 -0.650) 5.528 12.178 ( 0.663 -0.984 -4.599) 4.749 12.498 ( 10.540 3.041 1.402) 11.059 12.636 ( -0.261 -1.622 1.595) 2.289 12.689 ( -2.675 -1.386 4.237) 5.199 12.852 ( -5.136 0.723 1.136) 5.309 13.128 ( 1.670 3.069 1.079) 3.657 13.497 ( -0.506 2.395 -1.961) 3.136 13.530 ( -0.295 4.476 0.654) 4.534 13.685 ( 1.226 3.693 -2.693) 4.732 13.728 ( 0.185 3.780 2.714) 4.657 ======================= Grid point 252 (120/140) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.219 ( 4.521 -9.655 -6.275) 12.370 3.470 ( 6.157 -17.596 -5.399) 19.409 3.661 ( 0.451 -4.161 9.319) 10.215 3.836 ( 5.288 -9.649 7.567) 13.354 4.105 ( -2.920 9.442 -0.025) 9.884 4.359 ( 0.143 14.682 0.556) 14.693 4.437 ( -3.070 5.852 -2.366) 7.019 4.646 ( -1.377 7.125 -3.807) 8.195 4.939 ( -4.432 -0.329 5.311) 6.925 5.119 ( -0.246 -2.979 0.648) 3.058 5.482 ( -5.233 -1.709 3.088) 6.312 5.603 ( 1.092 5.006 -9.781) 11.042 5.831 ( 5.767 -5.818 -10.165) 13.056 6.206 ( -0.438 -3.969 5.983) 7.193 6.469 ( 0.064 -1.012 1.641) 1.930 6.797 ( 1.258 0.844 1.708) 2.283 7.212 ( -4.145 -7.514 16.833) 18.895 7.306 ( 4.867 0.942 -15.181) 15.970 7.583 ( 0.968 -1.924 -1.475) 2.610 7.948 ( 5.941 -3.184 8.028) 10.483 8.026 ( -6.001 -1.412 -3.769) 7.226 8.288 ( -0.998 -2.462 -0.867) 2.794 8.616 ( -0.387 -3.903 0.917) 4.028 8.672 ( 2.381 -7.319 -1.031) 7.765 9.108 ( -2.064 -0.960 -0.675) 2.374 9.277 ( -0.566 -0.459 -1.546) 1.709 9.424 ( 1.783 -3.662 1.511) 4.345 9.575 ( 0.083 -4.730 -3.521) 5.897 9.668 ( -7.368 2.765 2.071) 8.137 9.799 ( 3.959 -4.939 0.971) 6.404 9.964 ( -2.513 -1.261 0.438) 2.845 10.006 ( 1.176 5.189 -3.470) 6.352 10.127 ( -1.989 4.924 -1.502) 5.519 10.301 ( -2.400 8.946 1.192) 9.339 10.438 ( 0.456 0.547 0.353) 0.795 10.635 ( -0.808 2.769 -0.218) 2.892 10.718 ( -1.542 3.375 0.172) 3.714 11.006 ( -1.411 0.048 -2.069) 2.504 11.026 ( 0.646 2.031 2.411) 3.218 11.307 ( -0.141 -0.455 0.199) 0.516 11.751 ( 2.253 -2.335 -2.109) 3.870 11.873 ( 5.759 1.007 2.822) 6.492 11.948 ( -1.795 2.198 -0.994) 3.007 11.995 ( -0.626 1.123 0.754) 1.491 12.190 ( 1.077 -0.553 -3.945) 4.127 12.516 ( 0.525 0.477 1.032) 1.252 12.680 ( 2.243 -2.225 -2.698) 4.155 12.709 ( 2.405 1.329 4.459) 5.237 12.804 ( -5.117 0.039 1.788) 5.421 13.090 ( 0.319 1.586 0.640) 1.740 13.447 ( -0.227 1.724 1.041) 2.027 13.459 ( -0.513 1.734 -1.902) 2.624 13.644 ( 0.709 1.201 -1.226) 1.857 13.696 ( 0.240 0.787 1.238) 1.487 ======================= Grid point 258 (121/140) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( 8.637 -0.000 -35.866) 36.891 2.503 ( 10.370 -0.000 -29.084) 30.877 2.798 ( 5.987 -0.000 27.476) 28.120 2.801 ( 5.107 -0.000 31.054) 31.472 4.088 ( 15.063 -0.000 -44.907) 47.366 4.437 ( -2.472 0.000 33.120) 33.213 4.981 ( -19.670 0.000 6.428) 20.694 5.049 ( -7.597 0.000 11.708) 13.957 5.355 ( 8.343 -0.000 -7.068) 10.934 5.450 ( 3.386 -0.000 -4.092) 5.311 5.573 ( -5.641 0.000 -7.633) 9.491 5.656 ( -0.211 0.000 -7.016) 7.019 5.884 ( -5.333 0.000 14.343) 15.303 6.120 ( 8.421 -0.000 -6.232) 10.476 6.331 ( -3.809 0.000 -12.150) 12.733 6.501 ( 1.231 -0.000 -4.398) 4.567 6.588 ( -7.682 0.000 24.567) 25.740 6.792 ( 9.240 -0.000 0.977) 9.291 7.131 ( 2.038 -0.000 2.054) 2.893 7.182 ( 7.039 -0.000 0.414) 7.051 7.916 ( -8.354 0.000 2.565) 8.739 7.983 ( -1.638 0.000 -3.168) 3.567 8.050 ( -1.061 0.000 8.385) 8.452 8.229 ( 12.340 -0.000 -6.774) 14.077 8.823 ( -3.531 0.000 7.315) 8.122 8.910 ( 1.079 -0.000 -8.450) 8.518 9.226 ( -3.966 0.000 -1.401) 4.206 9.397 ( -0.158 0.000 -11.845) 11.846 9.744 ( 4.295 -0.000 -4.543) 6.252 9.772 ( -6.537 0.000 15.664) 16.974 10.178 ( -8.506 0.000 0.616) 8.528 10.297 ( -6.929 0.000 4.904) 8.489 10.512 ( -6.716 0.000 -0.086) 6.717 10.513 ( -4.810 0.000 -6.985) 8.481 10.697 ( -1.440 0.000 -2.025) 2.485 10.780 ( 5.448 -0.000 -0.558) 5.476 11.130 ( -5.645 0.000 -1.310) 5.795 11.215 ( 1.308 -0.000 -0.190) 1.322 11.328 ( -2.876 0.000 -2.192) 3.616 11.512 ( 1.619 -0.000 2.448) 2.935 11.717 ( -1.481 0.000 8.159) 8.292 11.773 ( 2.942 -0.000 -6.628) 7.252 11.794 ( 7.152 -0.000 -9.551) 11.932 12.098 ( 12.766 -0.000 8.778) 15.493 12.395 ( 3.551 -0.000 -6.041) 7.007 12.432 ( -0.288 0.000 7.929) 7.934 12.648 ( -1.993 0.000 2.076) 2.878 12.670 ( 1.175 -0.000 -1.985) 2.307 13.009 ( -6.629 0.000 -0.617) 6.658 13.258 ( 3.355 -0.000 0.653) 3.418 13.586 ( 2.695 -0.000 -8.459) 8.878 13.635 ( 1.769 -0.000 5.699) 5.968 13.954 ( -0.767 0.000 -2.683) 2.790 13.963 ( -1.637 0.000 3.049) 3.460 ======================= Grid point 259 (122/140) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 8.509 -3.250 -32.501) 33.753 2.571 ( 17.278 -5.708 -28.011) 33.403 2.952 ( 11.538 -5.830 26.011) 29.046 3.091 ( 6.224 -9.672 28.324) 30.570 4.324 ( 19.089 -19.525 -39.331) 47.880 4.522 ( -11.548 -5.580 20.613) 24.277 4.809 ( -18.370 1.577 6.216) 19.457 4.998 ( -6.270 5.838 11.013) 13.953 5.199 ( -1.512 10.500 0.278) 10.612 5.321 ( 2.949 7.696 -12.608) 15.063 5.539 ( 4.075 13.374 -0.587) 13.994 5.646 ( -2.472 -3.380 -8.939) 9.872 5.832 ( -2.182 0.975 7.343) 7.723 6.166 ( -4.461 -2.021 0.952) 4.989 6.395 ( 3.509 -3.824 -9.088) 10.465 6.477 ( 3.176 -2.633 -1.715) 4.467 6.668 ( -5.380 -6.708 23.176) 24.720 6.944 ( 6.808 -7.016 0.247) 9.779 7.229 ( 2.979 -6.705 1.593) 7.508 7.328 ( 9.067 -7.114 1.348) 11.603 7.878 ( -6.256 -2.292 0.508) 6.682 8.003 ( -2.725 -4.784 -2.575) 6.078 8.115 ( -1.047 -5.068 9.566) 10.876 8.331 ( 11.026 -1.647 -7.512) 13.443 8.831 ( -4.397 -2.322 2.243) 5.455 8.924 ( -5.539 -5.978 -2.016) 8.395 9.244 ( 5.369 -1.633 -2.501) 6.144 9.366 ( -1.034 -1.391 -13.125) 13.238 9.717 ( -3.676 1.851 4.265) 5.927 9.789 ( -2.932 -1.404 5.861) 6.702 10.081 ( -8.879 2.445 0.842) 9.248 10.261 ( -10.407 -2.308 5.327) 11.917 10.417 ( -5.295 2.344 -10.258) 11.780 10.445 ( -7.104 0.352 0.622) 7.140 10.692 ( -1.590 -0.251 -1.171) 1.991 10.835 ( 5.437 0.054 -1.006) 5.530 11.048 ( -6.113 1.870 -0.420) 6.406 11.200 ( -0.090 2.493 1.553) 2.939 11.271 ( -1.276 3.517 -1.777) 4.142 11.442 ( -0.202 6.819 1.675) 7.025 11.739 ( 4.051 0.124 2.012) 4.525 11.768 ( 7.797 3.912 -8.125) 11.922 11.878 ( 2.115 -6.823 -2.945) 7.727 12.180 ( 4.537 2.763 4.878) 7.212 12.368 ( 1.429 4.498 -3.515) 5.885 12.503 ( 7.077 -2.878 6.770) 10.208 12.637 ( -1.741 0.053 1.068) 2.044 12.674 ( 1.708 0.677 0.639) 1.945 12.936 ( -2.979 2.920 0.161) 4.175 13.250 ( 1.412 2.755 1.459) 3.422 13.573 ( 2.311 1.240 -7.580) 8.021 13.654 ( 2.049 1.693 4.746) 5.440 13.891 ( -0.943 4.488 -3.071) 5.519 13.919 ( -1.422 3.906 3.267) 5.287 ======================= Grid point 260 (123/140) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 11.917 -13.113 -21.981) 28.233 2.835 ( 19.336 -11.741 -21.253) 31.039 3.314 ( 12.697 -12.403 19.378) 26.279 3.397 ( 4.866 -8.957 24.675) 26.698 4.520 ( -9.836 4.694 9.752) 14.625 4.677 ( -15.523 -5.678 10.210) 19.428 4.766 ( -5.094 -0.493 -3.317) 6.099 4.819 ( 7.864 -10.516 -21.530) 25.219 5.060 ( 1.694 3.942 -3.461) 5.512 5.133 ( -0.244 8.947 -12.610) 15.464 5.226 ( -0.222 17.661 0.463) 17.669 5.587 ( -4.678 3.097 -10.593) 11.987 5.911 ( 7.164 -2.905 9.173) 11.996 6.116 ( -9.721 1.066 1.650) 9.917 6.400 ( 5.197 0.195 0.248) 5.207 6.686 ( 5.381 -9.399 -2.982) 11.233 6.848 ( -3.666 -8.907 22.503) 24.477 7.138 ( 4.701 -7.820 -3.230) 9.679 7.406 ( 3.577 -7.611 -0.253) 8.413 7.588 ( 7.987 -10.956 3.188) 13.928 7.901 ( -3.966 -4.742 -0.387) 6.194 8.091 ( -3.687 -7.082 -1.155) 8.068 8.272 ( -0.559 -9.152 8.235) 12.324 8.412 ( 3.846 -2.473 -8.574) 9.717 8.878 ( -2.773 -6.914 -1.969) 7.705 9.038 ( -4.023 -9.347 4.822) 11.261 9.315 ( 4.681 -1.034 -7.364) 8.787 9.386 ( 2.336 -3.931 -6.960) 8.328 9.659 ( -5.547 0.489 0.834) 5.630 9.795 ( -4.307 -1.078 4.764) 6.512 9.948 ( -8.351 3.214 0.613) 8.969 10.215 ( -12.617 -1.518 3.954) 13.309 10.285 ( -3.280 4.575 -9.902) 11.391 10.404 ( -2.971 -0.631 -0.643) 3.105 10.644 ( -1.183 3.909 0.438) 4.107 10.809 ( 0.660 4.804 -2.970) 5.686 10.988 ( -1.630 2.994 1.990) 3.947 11.129 ( -3.236 4.069 4.364) 6.787 11.164 ( -1.598 5.280 -1.035) 5.612 11.310 ( -0.365 5.554 0.222) 5.570 11.734 ( 9.662 3.592 -5.427) 11.649 11.814 ( 4.531 -2.797 -1.744) 5.604 12.027 ( 1.658 -6.676 -1.255) 6.992 12.129 ( -0.770 4.198 2.235) 4.818 12.245 ( 2.744 8.167 -3.757) 9.399 12.590 ( -2.784 0.323 -1.089) 3.007 12.652 ( -0.593 -1.510 3.331) 3.705 12.690 ( 11.822 1.718 5.167) 13.016 12.859 ( -1.729 3.235 2.331) 4.346 13.203 ( 0.326 3.213 1.594) 3.602 13.536 ( 1.602 2.366 -5.977) 6.625 13.623 ( 0.327 4.166 4.440) 6.097 13.775 ( 0.086 5.413 -2.725) 6.061 13.826 ( -0.582 5.284 2.589) 5.913 ======================= Grid point 261 (124/140) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.011 ( 13.272 -17.204 -10.574) 24.165 3.199 ( 16.484 -15.026 -13.014) 25.824 3.603 ( 0.302 -6.463 15.951) 17.213 3.724 ( 9.227 -11.264 15.336) 21.147 4.285 ( -4.485 11.564 1.175) 12.458 4.544 ( -6.680 8.536 -2.373) 11.096 4.725 ( 1.467 17.540 -4.169) 18.088 4.809 ( -6.210 7.561 3.824) 10.505 4.829 ( -8.195 -3.263 16.728) 18.911 5.004 ( -2.234 -1.256 -8.825) 9.189 5.348 ( -0.685 -13.216 -22.337) 25.963 5.444 ( -5.715 -0.856 -7.721) 9.644 5.908 ( 3.932 4.113 -5.498) 7.912 6.189 ( 8.708 -5.024 8.741) 13.322 6.449 ( 1.189 -0.977 0.134) 1.545 6.819 ( 1.227 -1.418 1.148) 2.199 7.071 ( -1.744 -9.714 20.429) 22.688 7.281 ( 4.420 -4.341 -8.647) 10.637 7.546 ( 3.335 -3.722 -0.215) 5.003 7.851 ( 2.244 -9.006 0.947) 9.330 7.978 ( -0.298 -4.001 5.600) 6.889 8.177 ( -3.068 -6.009 -2.566) 7.218 8.476 ( -2.616 -8.917 2.872) 9.727 8.492 ( 0.041 -9.445 -4.392) 10.416 9.017 ( 1.364 -7.142 -2.621) 7.729 9.210 ( -0.686 -7.859 4.677) 9.171 9.350 ( 1.420 -3.637 -6.529) 7.608 9.466 ( 1.273 -2.985 -1.853) 3.737 9.611 ( -7.339 -0.797 -1.752) 7.587 9.784 ( -1.261 -0.303 3.630) 3.854 9.882 ( -5.021 -3.384 0.747) 6.101 10.118 ( -1.883 5.150 -8.071) 9.757 10.151 ( -8.082 1.963 1.561) 8.463 10.381 ( -0.902 2.156 -2.775) 3.628 10.539 ( -0.412 6.306 1.749) 6.557 10.690 ( -1.569 5.687 -0.394) 5.913 10.846 ( -0.528 9.526 2.654) 9.903 11.032 ( -1.395 4.014 -0.248) 4.257 11.076 ( -1.058 2.482 1.582) 3.128 11.264 ( -3.047 -1.251 0.588) 3.346 11.749 ( 4.876 0.742 -4.347) 6.574 11.911 ( 3.936 -3.121 1.543) 5.255 12.029 ( -2.426 4.752 0.156) 5.338 12.096 ( 6.321 6.143 0.223) 8.817 12.154 ( 1.474 -0.997 -5.423) 5.707 12.540 ( -1.292 1.420 -1.788) 2.623 12.636 ( -2.064 0.192 -0.050) 2.073 12.793 ( -4.544 2.104 5.143) 7.178 12.805 ( 11.323 0.633 4.049) 12.042 13.146 ( -0.073 3.187 1.560) 3.549 13.478 ( 0.616 2.913 -4.529) 5.420 13.534 ( -0.465 5.044 2.605) 5.696 13.696 ( 1.408 3.259 -1.807) 3.983 13.740 ( -0.638 3.578 2.663) 4.506 ======================= Grid point 262 (125/140) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.317 ( 8.616 -3.203 -0.731) 9.221 3.569 ( 7.344 -9.640 -3.192) 12.532 3.698 ( 0.180 -0.270 3.331) 3.347 3.919 ( -0.244 0.958 3.843) 3.968 4.071 ( -0.280 6.552 -1.282) 6.683 4.280 ( -6.679 8.536 -0.889) 10.875 4.458 ( 3.620 7.099 1.203) 8.059 4.635 ( 0.007 4.404 4.885) 6.578 4.876 ( -4.080 -4.535 -0.206) 6.103 5.115 ( -0.080 -4.003 -1.831) 4.402 5.343 ( -10.458 -9.624 2.093) 14.366 5.470 ( -7.400 -4.153 -10.449) 13.461 5.966 ( 11.351 0.924 -1.301) 11.463 6.326 ( 10.742 3.460 -1.541) 11.390 6.454 ( -1.759 -1.589 -1.655) 2.891 6.795 ( -3.377 2.302 3.415) 5.326 7.261 ( -2.299 -5.247 18.418) 19.288 7.312 ( 5.513 2.442 -13.492) 14.778 7.608 ( 1.579 -0.219 1.984) 2.545 7.890 ( -6.441 -0.372 -4.890) 8.096 8.097 ( 5.467 -2.021 7.626) 9.599 8.272 ( 0.337 -4.699 -2.330) 5.255 8.594 ( -2.067 -5.530 -0.853) 5.965 8.658 ( -3.360 -5.938 -0.328) 6.830 9.112 ( 3.408 -2.247 -1.856) 4.484 9.289 ( 1.687 -0.447 0.219) 1.759 9.445 ( -1.490 -1.040 2.228) 2.875 9.531 ( -2.693 -6.975 -4.047) 8.502 9.586 ( -1.456 -4.469 2.249) 5.210 9.862 ( 0.204 -5.549 0.622) 5.587 9.942 ( -0.975 0.204 1.609) 1.892 10.012 ( 3.753 2.904 -3.158) 5.701 10.052 ( -4.764 -0.903 -1.821) 5.180 10.271 ( -0.685 6.247 -2.705) 6.842 10.441 ( -0.351 2.135 1.204) 2.476 10.600 ( -3.880 1.087 2.279) 4.630 10.738 ( 2.614 2.492 2.262) 4.261 10.981 ( -0.578 -0.016 -4.017) 4.058 11.049 ( 1.248 1.152 2.199) 2.779 11.269 ( -4.418 -2.001 1.236) 5.005 11.754 ( -0.087 -0.266 -0.801) 0.848 11.891 ( -3.088 6.237 -4.336) 8.200 11.993 ( 4.986 0.780 3.306) 6.033 12.030 ( 4.385 4.281 1.582) 6.329 12.168 ( -1.425 -1.340 -2.400) 3.096 12.507 ( -2.236 0.847 -4.327) 4.944 12.634 ( -1.680 -1.519 0.494) 2.318 12.723 ( -2.850 1.910 3.879) 5.179 12.876 ( 8.029 1.526 0.682) 8.201 13.095 ( -0.406 2.199 1.027) 2.460 13.429 ( 0.773 0.959 -3.477) 3.689 13.476 ( 0.435 1.527 2.288) 2.784 13.652 ( 1.074 1.830 -1.347) 2.514 13.695 ( -1.484 1.293 2.400) 3.103 ======================= Grid point 263 (126/140) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 1.190 14.137 10.526) 17.665 3.425 ( -3.286 19.659 5.266) 20.616 3.579 ( -1.263 11.507 -11.612) 16.397 3.684 ( -6.338 17.235 -7.820) 19.959 4.166 ( 4.719 -11.372 -2.089) 12.488 4.311 ( -4.444 -12.945 1.650) 13.786 4.541 ( 6.306 -9.726 1.591) 11.700 4.689 ( -1.630 -7.233 7.690) 10.682 4.979 ( 5.279 -5.422 -7.318) 10.527 5.106 ( -1.492 -1.220 -1.444) 2.408 5.475 ( -1.182 -3.798 -3.443) 5.261 5.549 ( -7.661 -9.623 5.800) 13.599 5.913 ( 4.577 11.798 14.469) 19.222 6.206 ( 0.810 9.015 -11.108) 14.329 6.490 ( 6.200 0.976 -3.016) 6.963 6.736 ( -5.462 0.805 0.646) 5.559 7.217 ( 6.749 8.206 -14.648) 18.096 7.303 ( -6.244 2.788 15.631) 17.061 7.600 ( 1.010 2.575 5.152) 5.847 7.802 ( -5.235 2.581 -8.680) 10.460 8.147 ( 5.591 3.143 3.332) 7.228 8.301 ( -0.182 1.733 -0.990) 2.004 8.599 ( -0.891 5.014 -2.974) 5.897 8.618 ( -3.941 3.994 2.952) 6.340 9.166 ( 4.165 1.668 -0.901) 4.576 9.296 ( -1.933 0.607 1.772) 2.692 9.413 ( 2.865 2.697 0.774) 4.011 9.574 ( -2.366 0.012 1.550) 2.828 9.725 ( 3.187 -3.016 -7.437) 8.635 9.795 ( 0.297 6.360 7.059) 9.506 9.960 ( -0.930 -6.348 -3.035) 7.097 10.029 ( 0.016 -0.441 2.725) 2.760 10.151 ( 1.909 -10.112 2.118) 10.506 10.322 ( -0.444 -11.082 -2.334) 11.334 10.443 ( 3.350 -0.145 -1.533) 3.687 10.618 ( -3.953 -5.693 2.261) 7.290 10.788 ( 5.345 -3.104 1.900) 6.466 10.982 ( -2.616 -2.592 -3.240) 4.905 11.073 ( 4.974 -0.394 1.235) 5.140 11.267 ( -4.781 -1.433 0.974) 5.085 11.701 ( -2.900 6.615 -0.147) 7.224 11.766 ( -5.242 0.395 -1.354) 5.428 12.007 ( 4.573 -0.208 -0.527) 4.608 12.031 ( 4.062 -0.159 0.389) 4.083 12.181 ( -2.410 -0.836 4.006) 4.749 12.402 ( -10.204 2.578 -3.372) 11.052 12.662 ( 2.303 -0.311 0.301) 2.343 12.709 ( 0.766 0.041 -1.994) 2.137 12.905 ( 6.180 1.202 0.124) 6.297 13.068 ( -2.076 -0.609 -0.701) 2.274 13.449 ( 2.053 -2.559 -2.650) 4.217 13.486 ( -0.151 -1.252 3.008) 3.262 13.643 ( -0.083 -0.576 0.864) 1.041 13.675 ( -1.454 -0.541 -0.217) 1.566 ======================= Grid point 264 (127/140) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 2.254 15.609 12.811) 20.319 3.023 ( -3.492 20.171 15.862) 25.898 3.226 ( -6.397 20.097 -8.115) 22.598 3.255 ( -3.484 13.990 -22.469) 26.697 4.461 ( 6.275 -14.357 -2.549) 15.874 4.547 ( -5.447 -14.543 3.016) 15.820 4.813 ( 4.851 -10.877 -3.541) 12.425 4.863 ( -3.422 -9.849 4.780) 11.470 5.082 ( 10.683 -0.289 -10.012) 14.644 5.171 ( -4.326 -1.363 7.319) 8.611 5.376 ( -0.779 12.511 15.040) 19.578 5.491 ( -4.934 5.947 -8.507) 11.493 5.909 ( 6.769 -3.039 8.545) 11.317 6.084 ( -6.682 -3.405 -6.791) 10.117 6.487 ( 9.588 5.117 -2.712) 11.202 6.638 ( -7.977 3.782 -0.700) 8.856 7.058 ( 9.097 10.550 -13.959) 19.721 7.153 ( -10.012 8.588 12.400) 18.105 7.549 ( 1.605 6.708 6.381) 9.396 7.633 ( -3.286 8.701 -7.732) 12.095 8.117 ( 5.508 4.806 0.840) 7.358 8.210 ( -3.852 4.627 -1.200) 6.139 8.430 ( 1.689 10.438 -0.075) 10.574 8.475 ( -3.417 8.946 1.550) 9.701 9.111 ( 5.236 6.402 -1.671) 8.437 9.204 ( -6.421 5.662 1.561) 8.702 9.389 ( 8.196 4.672 -0.574) 9.452 9.497 ( -3.994 4.111 1.634) 5.960 9.715 ( 0.791 0.210 9.791) 9.825 9.799 ( -0.348 -0.985 -10.507) 10.558 10.075 ( 7.034 -5.062 -2.649) 9.062 10.156 ( -4.920 -8.731 5.928) 11.644 10.383 ( 3.356 -9.506 0.500) 10.093 10.438 ( -0.980 -4.328 0.311) 4.449 10.580 ( 7.988 -7.319 -4.686) 11.804 10.699 ( -6.310 -5.245 4.014) 9.134 10.952 ( 5.367 -7.977 0.345) 9.621 11.034 ( -3.392 -6.535 -0.959) 7.425 11.140 ( 5.341 -1.267 1.217) 5.622 11.238 ( -4.619 0.104 -0.869) 4.701 11.592 ( 0.480 2.528 1.175) 2.828 11.675 ( -7.253 1.737 -1.360) 7.581 12.063 ( 3.925 0.949 1.657) 4.365 12.131 ( 4.362 0.241 0.948) 4.470 12.155 ( -2.142 -3.494 -0.267) 4.107 12.283 ( -10.661 -2.538 -1.638) 11.081 12.669 ( 1.563 1.332 1.822) 2.745 12.694 ( 0.723 1.185 -4.396) 4.610 12.958 ( 6.572 -0.881 1.229) 6.744 13.067 ( -4.764 -2.076 -1.250) 5.345 13.517 ( 1.490 -2.582 -1.108) 3.180 13.531 ( -0.855 -2.905 1.599) 3.424 13.688 ( -0.251 -4.176 2.692) 4.975 13.706 ( -0.511 -4.219 -2.557) 4.960 ======================= Grid point 265 (128/140) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.733 ( 2.561 12.862 -23.684) 27.072 2.733 ( -2.561 12.862 23.684) 27.072 2.896 ( -1.706 12.630 -28.886) 31.572 2.896 ( 1.706 12.630 28.886) 31.572 4.697 ( 7.629 5.554 -15.697) 18.315 4.697 ( -7.629 5.554 15.697) 18.315 4.904 ( -0.952 -0.577 -12.266) 12.317 4.904 ( 0.952 -0.577 12.266) 12.317 5.091 ( 8.526 -6.462 -7.401) 13.008 5.091 ( -8.526 -6.462 7.401) 13.008 5.441 ( -1.389 -7.099 -7.210) 10.213 5.441 ( 1.389 -7.099 7.210) 10.213 6.082 ( -8.717 -3.186 -6.862) 11.543 6.082 ( 8.717 -3.186 6.862) 11.543 6.468 ( -4.528 4.733 -5.934) 8.838 6.468 ( 4.528 4.733 5.934) 8.838 6.909 ( 10.408 10.195 -15.744) 21.451 6.909 ( -10.408 10.195 15.744) 21.451 7.396 ( -0.428 11.364 -5.112) 12.468 7.396 ( 0.428 11.364 5.112) 12.468 8.087 ( -4.581 3.388 -2.016) 6.044 8.087 ( 4.581 3.388 2.016) 6.044 8.258 ( 0.797 9.538 -4.733) 10.678 8.258 ( -0.797 9.538 4.733) 10.678 9.024 ( 3.919 7.065 -5.348) 9.689 9.024 ( -3.919 7.065 5.348) 9.689 9.394 ( -7.499 1.856 1.199) 7.818 9.394 ( 7.499 1.856 -1.199) 7.818 9.759 ( -1.042 0.350 -12.046) 12.096 9.759 ( 1.042 0.350 12.046) 12.096 10.230 ( -1.525 -4.254 -0.075) 4.520 10.230 ( 1.525 -4.254 0.075) 4.520 10.524 ( -0.837 -3.243 -0.671) 3.416 10.524 ( 0.837 -3.243 0.671) 3.416 10.733 ( 5.049 -2.999 -3.085) 6.633 10.733 ( -5.049 -2.999 3.085) 6.633 11.122 ( -2.515 -3.919 -3.523) 5.839 11.122 ( 2.515 -3.919 3.523) 5.839 11.236 ( -2.824 -5.815 -1.667) 6.676 11.236 ( 2.824 -5.815 1.667) 6.676 11.617 ( -2.101 -1.777 -3.441) 4.406 11.617 ( 2.101 -1.777 3.441) 4.406 12.023 ( -2.627 5.175 -3.086) 6.573 12.023 ( 2.627 5.175 3.086) 6.573 12.314 ( -0.681 -5.439 -6.574) 8.560 12.314 ( 0.681 -5.439 6.574) 8.560 12.666 ( 0.484 0.485 -4.988) 5.035 12.666 ( -0.484 0.485 4.988) 5.035 13.055 ( -6.674 -2.692 -1.859) 7.433 13.055 ( 6.674 -2.692 1.859) 7.433 13.567 ( 1.575 -1.640 -6.339) 6.734 13.567 ( -1.575 -1.640 6.339) 6.734 13.806 ( 0.435 -6.689 -3.611) 7.614 13.806 ( -0.435 -6.689 3.611) 7.614 ======================= Grid point 269 (129/140) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 15.369 -0.000 -32.336) 35.803 2.589 ( 19.017 -0.000 -29.632) 35.209 3.098 ( 10.550 -0.000 24.303) 26.494 3.101 ( 9.772 -0.000 26.595) 28.333 4.220 ( 25.977 -0.000 -35.635) 44.099 4.399 ( -16.546 0.000 17.668) 24.206 4.648 ( -22.014 0.000 5.513) 22.694 5.066 ( -2.603 0.000 11.568) 11.857 5.316 ( -8.616 0.000 -8.113) 11.834 5.380 ( -4.116 0.000 -15.934) 16.458 5.466 ( 2.315 -0.000 -0.593) 2.389 5.731 ( 4.935 -0.000 4.962) 6.998 5.922 ( 0.072 -0.000 14.728) 14.728 6.096 ( -7.343 0.000 -4.142) 8.431 6.302 ( 10.615 -0.000 -17.935) 20.841 6.499 ( 0.682 -0.000 -2.219) 2.321 6.608 ( -5.921 0.000 24.927) 25.620 6.933 ( 5.419 -0.000 3.748) 6.589 7.201 ( 3.861 -0.000 4.544) 5.963 7.361 ( 12.557 -0.000 0.813) 12.584 7.807 ( -5.102 0.000 0.266) 5.109 7.922 ( -3.166 0.000 -3.994) 5.096 8.080 ( -2.085 0.000 11.243) 11.435 8.388 ( 9.148 -0.000 -8.201) 12.286 8.766 ( -8.101 0.000 -6.264) 10.240 8.817 ( -2.296 0.000 7.398) 7.746 9.286 ( 9.478 -0.000 -3.361) 10.056 9.308 ( 0.196 -0.000 -14.725) 14.726 9.680 ( -13.968 0.000 13.706) 19.569 9.782 ( 2.309 -0.000 -5.032) 5.537 10.033 ( -9.362 0.000 2.601) 9.717 10.151 ( -11.967 0.000 4.552) 12.804 10.355 ( -5.657 0.000 -11.269) 12.609 10.382 ( -8.170 0.000 2.515) 8.548 10.654 ( -2.282 0.000 -1.903) 2.972 10.893 ( 3.729 -0.000 -1.643) 4.075 11.012 ( -4.148 0.000 1.957) 4.586 11.242 ( 1.708 -0.000 0.182) 1.717 11.296 ( -0.514 0.000 -0.185) 0.546 11.506 ( -1.880 0.000 -0.934) 2.099 11.748 ( -0.582 0.000 7.639) 7.661 11.811 ( 4.377 -0.000 -7.380) 8.581 11.872 ( 8.432 -0.000 -9.545) 12.736 12.229 ( -2.559 0.000 1.996) 3.245 12.448 ( 5.179 -0.000 -4.907) 7.135 12.526 ( 4.207 -0.000 5.304) 6.769 12.629 ( -0.392 0.000 1.362) 1.417 12.715 ( 4.942 -0.000 4.796) 6.887 12.968 ( 1.944 -0.000 2.951) 3.534 13.285 ( -0.598 0.000 2.403) 2.476 13.584 ( 2.761 -0.000 -8.391) 8.833 13.709 ( 2.987 -0.000 4.465) 5.372 13.915 ( -1.447 0.000 -3.792) 4.058 13.952 ( -1.845 0.000 3.618) 4.061 ======================= Grid point 270 (130/140) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 18.453 -3.284 -25.875) 31.951 2.773 ( 23.136 -7.764 -25.177) 35.063 3.302 ( 11.016 -5.823 19.378) 23.039 3.345 ( 6.109 -7.638 23.136) 25.119 4.366 ( -15.652 -7.109 18.447) 25.215 4.458 ( -7.928 -6.580 0.972) 10.349 4.547 ( 11.140 -9.207 -24.440) 28.393 4.905 ( -8.519 10.863 -2.661) 14.060 5.153 ( -1.409 6.198 -2.050) 6.678 5.293 ( -1.508 5.163 -12.655) 13.750 5.486 ( -3.394 0.646 -8.185) 8.885 5.594 ( -1.751 14.749 5.160) 15.723 5.953 ( 3.844 -0.605 9.040) 9.842 6.047 ( -6.910 -1.177 3.178) 7.696 6.425 ( 4.841 -3.544 -5.802) 8.346 6.549 ( 5.847 -6.743 -5.110) 10.285 6.718 ( -2.637 -7.469 22.166) 23.539 7.037 ( 3.351 -5.182 2.461) 6.644 7.311 ( 4.533 -5.773 4.345) 8.530 7.525 ( 11.908 -5.283 0.376) 13.033 7.795 ( -2.934 -2.648 -1.036) 4.085 7.930 ( -3.730 -5.040 -3.306) 7.088 8.143 ( -2.794 -5.229 11.119) 12.601 8.393 ( -2.030 0.583 -9.101) 9.342 8.754 ( 2.228 -4.012 -3.580) 5.820 8.880 ( -1.642 -5.876 6.514) 8.925 9.282 ( 1.422 -0.947 -14.027) 14.131 9.377 ( 9.165 -1.647 -3.633) 9.996 9.587 ( -14.690 -0.198 9.165) 17.316 9.771 ( -0.114 0.597 -4.335) 4.377 9.933 ( -9.695 2.399 3.253) 10.504 10.083 ( -12.199 -1.940 3.938) 12.965 10.272 ( -3.172 1.192 -11.010) 11.519 10.338 ( -6.142 -1.390 2.519) 6.783 10.649 ( -2.445 -1.292 -0.911) 2.912 10.854 ( -4.625 1.051 -4.182) 6.323 11.023 ( 3.944 1.355 6.478) 7.704 11.208 ( -0.415 4.489 2.829) 5.322 11.249 ( -0.205 4.356 -1.709) 4.684 11.426 ( -1.623 5.606 -1.066) 5.932 11.792 ( 2.201 -2.014 -0.824) 3.095 11.868 ( 3.592 0.439 -5.800) 6.836 11.900 ( 5.929 -3.405 -3.378) 7.626 12.172 ( -4.606 2.345 0.175) 5.172 12.414 ( 4.656 5.257 -3.118) 7.683 12.565 ( -1.668 -0.412 0.175) 1.727 12.645 ( 2.051 -0.323 1.254) 2.426 12.783 ( 4.626 -0.404 6.455) 7.952 12.976 ( 6.886 4.192 4.457) 9.212 13.260 ( -1.206 2.345 2.831) 3.869 13.573 ( 2.769 1.381 -7.257) 7.889 13.715 ( 1.214 2.994 5.209) 6.130 13.854 ( -0.584 3.654 -4.176) 5.580 13.913 ( -1.406 3.411 3.061) 4.794 ======================= Grid point 271 (131/140) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.812 ( 20.311 -13.173 -14.799) 28.374 3.092 ( 22.619 -10.482 -17.858) 30.666 3.511 ( -1.655 -6.875 14.090) 15.765 3.641 ( 5.933 -10.035 17.854) 21.323 4.375 ( -12.236 0.590 8.924) 15.156 4.529 ( -9.276 -13.807 21.811) 27.429 4.622 ( -7.112 8.300 -4.237) 11.722 4.835 ( 6.052 -1.966 -15.007) 16.300 5.027 ( 0.615 0.104 -16.325) 16.337 5.136 ( 4.277 6.510 -8.658) 11.646 5.209 ( -0.228 19.191 -2.459) 19.349 5.385 ( -10.308 4.071 -7.252) 13.245 5.940 ( -2.571 0.441 -1.161) 2.855 6.156 ( 3.408 -7.391 9.508) 12.515 6.482 ( 5.879 0.510 0.605) 5.932 6.743 ( 3.185 -7.574 -5.861) 10.093 6.938 ( 0.239 -9.616 20.970) 23.071 7.179 ( 1.778 -6.723 -1.004) 7.027 7.490 ( 5.073 -6.334 3.045) 8.668 7.722 ( 4.484 -6.681 -2.568) 8.446 7.876 ( 1.965 -7.074 2.131) 7.645 8.014 ( -4.319 -7.044 -0.706) 8.293 8.285 ( -3.406 -9.062 7.738) 12.393 8.333 ( -6.053 -2.954 -8.367) 10.742 8.901 ( 7.356 -6.713 -2.988) 10.397 9.041 ( 0.165 -9.438 6.480) 11.450 9.284 ( 1.003 -1.884 -12.536) 12.716 9.464 ( 5.333 -1.133 -1.991) 5.804 9.505 ( -12.376 -1.747 4.777) 13.380 9.747 ( -2.472 -0.700 -3.591) 4.415 9.823 ( -6.325 1.598 3.356) 7.336 10.027 ( -10.796 -1.841 2.106) 11.152 10.195 ( 0.118 2.512 -8.891) 9.240 10.339 ( -4.506 -2.362 0.824) 5.154 10.626 ( -1.181 2.322 1.156) 2.850 10.783 ( -2.662 2.770 -2.717) 4.705 11.019 ( 3.049 5.446 4.514) 7.703 11.101 ( -2.507 5.750 3.343) 7.108 11.132 ( -1.653 5.213 0.579) 5.499 11.286 ( -1.753 5.937 -2.090) 6.533 11.820 ( 4.546 1.940 -7.848) 9.275 11.886 ( 4.090 -2.032 2.308) 5.117 12.021 ( -1.766 -4.057 -4.892) 6.596 12.092 ( -1.929 1.019 2.310) 3.178 12.337 ( 7.077 7.235 -1.005) 10.171 12.534 ( -2.097 0.973 -2.025) 3.073 12.656 ( 1.349 1.265 0.241) 1.865 12.806 ( -2.672 1.418 5.216) 6.030 12.972 ( 10.783 4.594 3.356) 12.192 13.206 ( -1.001 2.879 2.641) 4.033 13.536 ( 2.360 2.959 -5.583) 6.745 13.640 ( -1.648 5.662 3.914) 7.078 13.771 ( 0.904 3.933 -0.936) 4.142 13.827 ( -0.590 4.892 1.211) 5.075 ======================= Grid point 272 (132/140) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.234 ( 17.372 -14.292 -6.791) 23.498 3.428 ( 15.690 -10.859 -8.477) 20.879 3.643 ( -3.515 -6.199 8.735) 11.273 3.858 ( -5.153 -7.198 10.819) 13.979 4.253 ( 0.088 9.807 4.003) 10.592 4.399 ( -6.117 8.758 -4.553) 11.613 4.743 ( 1.894 3.040 4.957) 6.116 4.782 ( 1.001 11.754 1.730) 11.922 4.819 ( -3.464 3.132 13.688) 14.463 4.947 ( 0.356 -1.680 -4.306) 4.636 5.150 ( -8.042 -2.852 -16.046) 18.174 5.236 ( -10.866 -4.721 -11.767) 16.698 6.020 ( 11.543 -4.759 -3.521) 12.973 6.338 ( -2.312 -7.558 2.689) 8.349 6.505 ( 10.160 4.059 -0.649) 10.960 6.803 ( -3.708 0.148 0.129) 3.713 7.177 ( 0.568 -8.113 18.537) 20.242 7.299 ( 3.008 -4.466 -8.073) 9.704 7.617 ( 4.272 -1.877 1.636) 4.945 7.809 ( -4.370 -2.435 -2.373) 5.537 8.073 ( 3.003 -7.064 8.231) 11.255 8.118 ( -0.889 -8.901 -3.884) 9.752 8.399 ( -2.380 -9.775 -4.552) 11.042 8.466 ( -3.876 -10.091 2.655) 11.131 9.073 ( 6.338 -5.010 -2.347) 8.413 9.262 ( 2.482 -8.022 5.705) 10.152 9.294 ( -2.371 -4.715 -7.864) 9.471 9.457 ( -6.591 -1.852 -2.403) 7.256 9.512 ( 1.246 -1.122 5.025) 5.298 9.746 ( -6.154 -4.377 -4.140) 8.612 9.829 ( 0.882 -4.001 2.551) 4.826 9.992 ( -6.930 -2.282 -0.696) 7.329 10.133 ( 4.404 3.804 -3.836) 6.970 10.322 ( -4.148 0.876 -2.385) 4.864 10.553 ( 0.880 5.900 2.863) 6.616 10.659 ( -2.288 7.072 -0.436) 7.446 10.876 ( 1.582 9.079 3.560) 9.879 10.989 ( -2.961 3.582 -1.692) 4.946 11.080 ( 0.825 1.015 2.177) 2.540 11.202 ( -3.796 -0.080 -0.851) 3.891 11.791 ( 3.251 2.699 -1.970) 4.662 11.942 ( -3.218 3.672 -3.111) 5.789 11.997 ( 2.158 -4.065 2.685) 5.329 12.127 ( -1.387 -1.582 -1.892) 2.830 12.247 ( 8.348 9.129 0.716) 12.391 12.485 ( -2.798 1.722 -5.218) 6.166 12.637 ( 1.872 1.144 0.542) 2.260 12.740 ( -5.007 2.170 5.176) 7.521 12.996 ( 8.666 3.055 0.856) 9.228 13.148 ( -1.271 3.087 2.180) 3.987 13.475 ( 2.048 3.395 -3.962) 5.605 13.532 ( -1.702 4.156 2.175) 4.990 13.712 ( 1.134 3.276 -0.319) 3.482 13.738 ( -0.884 3.812 1.613) 4.233 ======================= Grid point 273 (133/140) ======================= q-point: ( 0.67 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.480 ( 9.003 1.980 1.698) 9.374 3.605 ( -4.107 1.992 1.023) 4.678 3.760 ( 8.416 -0.208 -5.301) 9.949 3.873 ( -6.683 4.508 3.607) 8.831 4.086 ( 3.080 4.378 -1.615) 5.591 4.162 ( -6.100 4.227 -0.015) 7.421 4.543 ( 4.918 6.229 2.469) 8.312 4.639 ( -4.822 4.778 2.751) 7.324 4.877 ( 5.752 -6.242 3.357) 9.128 5.044 ( -5.787 -1.111 -10.255) 11.827 5.236 ( -4.699 -15.799 13.348) 21.210 5.304 ( -3.238 -11.002 -12.290) 16.810 6.161 ( 10.031 3.002 3.335) 10.989 6.329 ( -5.932 4.554 -5.908) 9.531 6.554 ( 11.782 0.585 -2.114) 11.985 6.715 ( -8.293 2.492 3.483) 9.333 7.321 ( -3.187 -1.713 17.110) 17.488 7.333 ( 5.546 1.644 -14.008) 15.155 7.660 ( 2.767 0.791 3.936) 4.876 7.756 ( -5.468 0.675 -4.878) 7.358 8.214 ( 3.556 -2.709 5.125) 6.800 8.267 ( 0.006 -4.961 -2.760) 5.677 8.556 ( -0.705 -6.721 -0.696) 6.793 8.586 ( -3.680 -4.866 -0.706) 6.142 9.188 ( 5.629 -2.497 -0.306) 6.165 9.280 ( -3.402 -0.959 -1.982) 4.052 9.429 ( -1.097 -3.071 7.130) 7.841 9.474 ( -1.108 -4.380 -5.981) 7.495 9.642 ( 5.416 -8.341 3.607) 10.579 9.780 ( -7.077 -6.286 -3.468) 10.081 9.943 ( 0.073 -1.594 2.858) 3.273 9.977 ( -1.819 -1.288 -3.373) 4.043 10.117 ( 7.018 1.396 1.416) 7.294 10.226 ( -3.425 2.717 -3.068) 5.341 10.461 ( 2.765 2.892 0.132) 4.004 10.531 ( -5.364 1.719 2.198) 6.047 10.819 ( 4.493 0.887 3.510) 5.770 10.917 ( -3.918 -0.039 -4.093) 5.666 11.104 ( 4.190 -0.740 0.331) 4.267 11.187 ( -5.374 -1.843 0.926) 5.756 11.763 ( 0.857 2.612 2.659) 3.825 11.813 ( -2.416 5.556 -4.666) 7.647 12.062 ( 2.120 1.276 2.009) 3.187 12.103 ( -0.907 2.116 -1.702) 2.863 12.188 ( 7.718 2.885 3.109) 8.807 12.364 ( -9.025 3.356 -4.720) 10.724 12.665 ( 2.569 -1.161 0.546) 2.871 12.700 ( -1.860 -0.193 1.339) 2.300 12.999 ( 5.868 3.036 0.101) 6.608 13.074 ( -2.866 2.974 0.440) 4.153 13.445 ( 2.824 0.610 -2.441) 3.782 13.478 ( -1.790 0.680 1.842) 2.657 13.664 ( 1.469 2.167 -2.043) 3.321 13.679 ( -1.887 1.955 2.828) 3.922 ======================= Grid point 274 (134/140) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.355 ( -3.897 15.646 -8.586) 18.267 3.355 ( 3.897 15.646 8.586) 18.267 3.562 ( -3.694 19.457 -1.441) 19.857 3.562 ( 3.694 19.457 1.441) 19.857 4.239 ( 3.215 -12.406 -4.369) 13.540 4.239 ( -3.215 -12.406 4.369) 13.540 4.650 ( 3.477 -8.684 -2.557) 9.697 4.650 ( -3.477 -8.684 2.557) 9.697 5.047 ( 3.174 -5.636 -9.038) 11.114 5.047 ( -3.174 -5.636 9.038) 11.114 5.471 ( 2.297 -6.910 -4.357) 8.486 5.471 ( -2.297 -6.910 4.357) 8.486 6.085 ( -3.511 10.896 -15.679) 19.413 6.085 ( 3.511 10.896 15.679) 19.413 6.620 ( -8.728 1.485 2.282) 9.142 6.620 ( 8.728 1.485 -2.282) 9.142 7.264 ( 8.050 6.695 -15.975) 19.100 7.264 ( -8.050 6.695 15.975) 19.100 7.678 ( -3.510 2.281 -7.841) 8.888 7.678 ( 3.510 2.281 7.841) 8.888 8.252 ( -1.646 3.135 -5.283) 6.360 8.252 ( 1.646 3.135 5.283) 6.360 8.585 ( 1.180 3.428 -2.399) 4.347 8.585 ( -1.180 3.428 2.399) 4.347 9.237 ( -1.624 2.243 -1.108) 2.983 9.237 ( 1.624 2.243 1.108) 2.983 9.504 ( -0.042 -0.791 -7.088) 7.132 9.504 ( 0.042 -0.791 7.088) 7.132 9.773 ( 3.826 2.027 -5.194) 6.762 9.773 ( -3.826 2.027 5.194) 6.762 9.985 ( 1.991 -5.990 -4.091) 7.523 9.985 ( -1.991 -5.990 4.091) 7.523 10.246 ( -5.666 -7.812 -1.541) 9.773 10.246 ( 5.666 -7.812 1.541) 9.773 10.533 ( 2.889 -5.396 -2.149) 6.487 10.533 ( -2.889 -5.396 2.149) 6.487 10.897 ( -3.038 -3.066 -4.887) 6.520 10.897 ( 3.038 -3.066 4.887) 6.520 11.174 ( -5.918 -1.459 0.285) 6.102 11.174 ( 5.918 -1.459 -0.285) 6.102 11.692 ( 1.121 4.961 -4.206) 6.600 11.692 ( -1.121 4.961 4.206) 6.600 12.075 ( 0.844 -1.633 -1.983) 2.704 12.075 ( -0.844 -1.633 1.983) 2.704 12.218 ( -6.828 2.812 -3.562) 8.198 12.218 ( 6.828 2.812 3.562) 8.198 12.699 ( -0.718 -0.093 -1.714) 1.861 12.699 ( 0.718 -0.093 1.714) 1.861 13.005 ( -3.505 0.578 -1.800) 3.982 13.005 ( 3.505 0.578 1.800) 3.982 13.478 ( 2.424 -1.918 -2.609) 4.045 13.478 ( -2.424 -1.918 2.609) 4.045 13.653 ( 0.575 -0.364 -2.275) 2.374 13.653 ( -0.575 -0.364 2.275) 2.374 ======================= Grid point 280 (135/140) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 22.612 -0.000 -24.902) 33.636 2.806 ( 24.133 -0.000 -25.557) 35.150 3.359 ( 3.516 -0.000 13.259) 13.718 3.387 ( 4.670 -0.000 22.272) 22.757 4.216 ( -13.552 0.000 22.094) 25.919 4.311 ( -17.184 0.000 11.464) 20.657 4.542 ( 27.478 -0.000 -29.612) 40.397 4.936 ( -11.832 0.000 -7.572) 14.048 5.169 ( -7.689 0.000 -15.343) 17.162 5.217 ( -1.796 0.000 0.146) 1.802 5.528 ( 4.953 -0.000 -2.587) 5.588 5.776 ( -4.808 0.000 12.282) 13.190 5.941 ( -5.779 0.000 -6.371) 8.601 6.006 ( -2.506 0.000 9.734) 10.051 6.389 ( 10.385 -0.000 -17.524) 20.370 6.483 ( -4.738 0.000 10.542) 11.558 6.725 ( 5.995 -0.000 17.544) 18.540 7.024 ( 3.435 -0.000 1.261) 3.660 7.312 ( 5.218 -0.000 6.939) 8.682 7.577 ( 11.172 -0.000 -1.522) 11.276 7.749 ( -1.085 0.000 -1.465) 1.823 7.835 ( -3.664 0.000 -4.156) 5.540 8.097 ( -3.927 0.000 11.836) 12.471 8.315 ( -10.428 0.000 -8.816) 13.656 8.764 ( 10.084 -0.000 -2.225) 10.326 8.837 ( 0.907 -0.000 5.928) 5.997 9.246 ( 1.427 -0.000 -13.797) 13.871 9.403 ( -1.789 0.000 -3.913) 4.302 9.499 ( -5.867 0.000 7.877) 9.822 9.767 ( 0.709 -0.000 -7.901) 7.933 9.883 ( -10.903 0.000 7.011) 12.962 9.973 ( -10.717 0.000 3.380) 11.238 10.233 ( -1.071 0.000 -10.005) 10.063 10.281 ( -5.837 0.000 4.210) 7.197 10.606 ( -1.781 0.000 -1.615) 2.405 10.784 ( -8.085 0.000 -3.743) 8.909 11.112 ( 6.139 -0.000 8.259) 10.290 11.271 ( 1.297 -0.000 0.778) 1.512 11.298 ( 0.574 -0.000 -0.040) 0.575 11.455 ( -2.510 0.000 -3.541) 4.340 11.775 ( -1.088 0.000 6.388) 6.480 11.816 ( 2.038 -0.000 -8.796) 9.029 11.971 ( 7.886 -0.000 -6.649) 10.315 12.151 ( -4.872 0.000 -0.342) 4.884 12.469 ( 0.936 -0.000 -5.457) 5.536 12.548 ( -2.370 0.000 2.053) 3.135 12.685 ( 5.762 -0.000 0.405) 5.777 12.824 ( 1.775 -0.000 5.606) 5.880 13.103 ( 8.226 -0.000 5.557) 9.928 13.280 ( -1.900 0.000 3.859) 4.301 13.595 ( 3.677 -0.000 -5.916) 6.966 13.768 ( -0.477 0.000 5.479) 5.500 13.875 ( 1.149 -0.000 -6.804) 6.900 13.941 ( -2.069 0.000 3.995) 4.499 ======================= Grid point 281 (136/140) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.796 ( 24.629 -4.203 -17.056) 30.252 3.056 ( 24.838 -8.920 -21.523) 34.055 3.396 ( -9.291 -3.477 9.983) 14.074 3.530 ( -4.840 -7.357 17.242) 19.361 4.256 ( -7.963 -4.070 14.053) 16.658 4.301 ( -4.398 -8.082 21.705) 23.574 4.705 ( -1.080 1.773 -15.623) 15.760 4.768 ( 9.629 -0.977 -14.708) 17.606 5.069 ( -3.988 3.096 -14.585) 15.434 5.157 ( -4.178 2.627 -1.737) 5.232 5.472 ( 4.377 9.371 -4.743) 11.378 5.576 ( -3.042 15.670 4.298) 16.531 5.902 ( -3.726 -0.994 -0.249) 3.864 6.036 ( -6.468 -5.517 7.143) 11.104 6.495 ( 4.683 -4.993 -0.125) 6.847 6.578 ( 0.509 -9.031 -2.307) 9.335 6.875 ( 7.256 -4.319 15.186) 17.375 7.086 ( 1.350 -3.794 -0.442) 4.051 7.433 ( 5.807 -5.045 7.334) 10.629 7.662 ( 3.379 -2.213 -6.369) 7.541 7.787 ( 2.523 -4.428 -1.053) 5.204 7.857 ( -1.958 -5.365 -0.485) 5.732 8.139 ( -4.622 -4.912 9.470) 11.626 8.205 ( -9.596 -1.117 -7.484) 12.220 8.886 ( 11.057 -3.036 -0.695) 11.488 8.926 ( 3.480 -5.411 5.000) 8.148 9.224 ( -0.552 -1.023 -11.392) 11.451 9.332 ( -13.813 -2.544 -0.562) 14.056 9.526 ( 5.747 0.672 1.912) 6.094 9.728 ( -2.301 1.607 -5.814) 6.456 9.808 ( -5.872 0.775 5.192) 7.876 9.913 ( -9.045 -1.433 2.183) 9.414 10.202 ( 1.314 0.530 -8.047) 8.171 10.263 ( -4.894 -1.549 3.908) 6.452 10.613 ( -0.910 -1.750 -0.234) 1.986 10.725 ( -6.311 -1.584 -2.978) 7.156 11.155 ( 4.781 3.054 8.334) 10.081 11.218 ( -0.195 6.035 2.345) 6.477 11.245 ( 0.909 5.564 -1.589) 5.857 11.377 ( -2.506 4.799 -3.804) 6.617 11.812 ( 1.885 -2.099 -3.852) 4.775 11.851 ( -1.739 -4.387 0.195) 4.723 11.997 ( 6.095 1.407 -4.923) 7.960 12.098 ( -3.787 1.467 1.158) 4.223 12.450 ( 2.591 1.343 -4.062) 5.002 12.529 ( -3.002 0.213 1.743) 3.478 12.717 ( 5.521 2.022 -0.667) 5.917 12.831 ( -1.526 1.395 4.560) 5.007 13.143 ( 7.320 3.496 2.265) 8.423 13.252 ( -1.915 2.112 3.805) 4.754 13.597 ( 4.163 2.031 -4.169) 6.232 13.726 ( -3.435 3.850 3.938) 6.491 13.847 ( 2.709 2.825 -4.020) 5.611 13.902 ( -1.804 3.120 2.686) 4.495 ======================= Grid point 282 (137/140) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( 22.904 -11.401 -9.764) 27.385 3.362 ( 10.143 -6.951 -4.697) 13.163 3.449 ( -3.976 -10.920 -1.749) 11.753 3.639 ( -15.428 -8.850 13.567) 22.370 4.351 ( 2.710 -2.471 9.366) 10.059 4.469 ( -6.561 -0.741 -1.083) 6.691 4.630 ( 4.358 -5.084 19.312) 20.440 4.858 ( -3.775 -6.062 -20.819) 22.010 4.901 ( 4.868 8.047 -3.507) 10.038 5.054 ( -8.010 2.120 -6.984) 10.837 5.215 ( 2.928 18.399 -4.751) 19.227 5.247 ( -3.883 16.039 2.826) 16.742 5.984 ( 8.798 -6.556 -3.574) 11.540 6.134 ( -9.098 -8.899 4.811) 13.605 6.620 ( 6.504 -1.786 4.385) 8.044 6.720 ( -1.833 -5.472 -5.546) 8.004 7.083 ( 3.851 -7.579 13.415) 15.882 7.178 ( -0.690 -6.208 -4.846) 7.906 7.607 ( 5.370 -4.810 5.020) 8.785 7.706 ( -2.137 -3.932 -5.305) 6.941 7.923 ( 1.623 -8.208 -1.938) 8.589 7.964 ( -3.122 -6.679 2.980) 7.952 8.212 ( 0.352 -7.046 -5.389) 8.878 8.252 ( -5.013 -8.741 5.075) 11.282 9.045 ( 8.639 -4.252 0.736) 9.656 9.111 ( 3.833 -8.428 2.706) 9.646 9.213 ( -2.487 -2.251 -5.598) 6.526 9.297 ( -10.321 -5.274 -1.875) 11.741 9.556 ( 3.838 1.183 3.435) 5.285 9.650 ( -4.869 0.898 -3.953) 6.336 9.806 ( 1.695 -1.279 1.641) 2.684 9.882 ( -6.607 -2.169 0.232) 6.958 10.196 ( 4.200 0.573 -5.013) 6.565 10.262 ( -5.354 -1.459 2.326) 6.017 10.635 ( 1.610 0.414 1.824) 2.468 10.701 ( -4.205 -0.157 -2.506) 4.898 11.086 ( 0.580 8.021 -0.211) 8.044 11.094 ( -0.432 9.864 2.231) 10.123 11.138 ( 2.449 3.510 5.776) 7.189 11.226 ( -2.933 5.876 -4.976) 8.240 11.852 ( 3.497 -0.126 -2.411) 4.249 11.914 ( -3.497 -2.908 -0.190) 4.552 11.995 ( 4.238 1.203 -2.474) 5.052 12.062 ( -3.822 -1.155 1.821) 4.388 12.439 ( 4.745 3.342 -0.110) 5.804 12.496 ( -1.732 1.501 -1.405) 2.688 12.701 ( 4.118 3.200 -1.886) 5.546 12.764 ( -4.860 3.572 4.248) 7.377 13.131 ( 6.516 3.754 -0.797) 7.563 13.195 ( -2.653 2.849 3.072) 4.959 13.560 ( 3.587 4.029 -3.468) 6.413 13.610 ( -3.677 5.257 2.552) 6.904 13.794 ( 1.448 4.012 0.594) 4.306 13.817 ( -0.967 4.512 -0.125) 4.616 ======================= Grid point 283 (138/140) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.473 ( 10.326 -8.944 -7.558) 15.612 3.473 ( -10.326 -8.944 7.558) 15.612 3.715 ( 10.482 -9.358 -12.278) 18.660 3.715 ( -10.482 -9.358 12.278) 18.660 4.305 ( -2.319 10.742 -4.446) 11.855 4.305 ( 2.319 10.742 4.446) 11.855 4.809 ( 3.696 9.176 -10.995) 14.790 4.809 ( -3.696 9.176 10.995) 14.790 4.914 ( -9.466 2.544 -8.091) 12.710 4.914 ( 9.466 2.544 8.091) 12.710 5.013 ( -5.460 -7.959 -11.504) 15.017 5.013 ( 5.460 -7.959 11.504) 15.017 6.211 ( -3.197 -6.512 -4.332) 8.450 6.211 ( 3.197 -6.512 4.332) 8.450 6.691 ( -6.932 1.969 -1.737) 7.412 6.691 ( 6.932 1.969 1.737) 7.412 7.274 ( 0.534 -5.950 -12.812) 14.136 7.274 ( -0.534 -5.950 12.812) 14.136 7.709 ( -1.810 -0.553 -4.769) 5.131 7.709 ( 1.810 -0.553 4.769) 5.131 8.111 ( 1.999 -9.597 -4.650) 10.849 8.111 ( -1.999 -9.597 4.650) 10.849 8.400 ( 1.478 -9.712 -1.120) 9.887 8.400 ( -1.478 -9.712 1.120) 9.887 9.186 ( -4.588 -3.235 -3.868) 6.817 9.186 ( 4.588 -3.235 3.868) 6.817 9.347 ( -3.368 -6.975 -4.891) 9.160 9.347 ( 3.368 -6.975 4.891) 9.160 9.603 ( -2.995 -2.344 -8.695) 9.490 9.603 ( 2.995 -2.344 8.695) 9.490 9.890 ( -2.841 -3.851 -2.662) 5.476 9.890 ( 2.841 -3.851 2.662) 5.476 10.221 ( 0.371 1.200 -6.911) 7.024 10.221 ( -0.371 1.200 6.911) 7.024 10.604 ( -2.625 6.380 -2.298) 7.271 10.604 ( 2.625 6.380 2.298) 7.271 10.928 ( -2.290 6.522 -2.809) 7.462 10.928 ( 2.290 6.522 2.809) 7.462 11.130 ( -1.673 0.429 -3.736) 4.116 11.130 ( 1.673 0.429 3.736) 4.116 11.855 ( -2.128 3.105 -4.328) 5.736 11.855 ( 2.128 3.105 4.328) 5.736 12.068 ( -2.424 -2.600 -3.524) 5.006 12.068 ( 2.424 -2.600 3.524) 5.006 12.385 ( -5.938 6.648 -3.439) 9.554 12.385 ( 5.938 6.648 3.439) 9.554 12.684 ( 2.737 0.988 -2.807) 4.044 12.684 ( -2.737 0.988 2.807) 4.044 13.109 ( -1.789 3.480 -0.304) 3.924 13.109 ( 1.789 3.480 0.304) 3.924 13.502 ( 2.805 3.452 -2.562) 5.133 13.502 ( -2.805 3.452 2.562) 5.133 13.728 ( 1.967 3.710 -5.948) 7.281 13.728 ( -1.967 3.710 5.948) 7.281 ======================= Grid point 291 (139/140) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.936 ( 24.652 -0.000 -15.256) 28.991 3.097 ( 21.652 -0.000 -18.263) 28.326 3.286 ( -14.325 0.000 5.541) 15.359 3.402 ( -16.814 0.000 18.385) 24.914 4.237 ( 2.212 -0.000 7.879) 8.183 4.257 ( -0.269 0.000 20.153) 20.155 4.700 ( -7.359 0.000 -6.510) 9.825 4.708 ( 2.480 -0.000 -17.781) 17.953 5.068 ( 8.808 -0.000 -11.339) 14.358 5.175 ( -5.172 0.000 3.055) 6.007 5.619 ( 8.728 -0.000 -5.582) 10.361 5.732 ( -8.544 0.000 11.971) 14.708 5.855 ( 0.828 -0.000 -6.960) 7.009 5.916 ( -9.739 0.000 5.222) 11.051 6.449 ( 8.419 -0.000 -18.279) 20.124 6.472 ( -6.552 0.000 18.156) 19.302 6.948 ( 7.535 -0.000 10.777) 13.150 7.052 ( -0.124 0.000 -3.591) 3.593 7.464 ( 6.883 -0.000 9.925) 12.079 7.625 ( -2.747 0.000 -10.508) 10.862 7.758 ( 3.071 -0.000 -1.424) 3.385 7.799 ( -0.229 0.000 0.425) 0.483 8.078 ( -4.615 0.000 8.511) 9.681 8.102 ( -5.647 0.000 -6.084) 8.301 8.932 ( 6.664 -0.000 3.495) 7.525 8.950 ( 8.867 -0.000 1.905) 9.070 9.169 ( -3.124 0.000 -8.734) 9.276 9.189 ( -11.828 0.000 -1.229) 11.892 9.593 ( 6.568 -0.000 0.582) 6.594 9.705 ( -4.970 0.000 -3.296) 5.963 9.791 ( -1.653 0.000 3.398) 3.779 9.839 ( -6.066 0.000 1.394) 6.224 10.200 ( 2.512 -0.000 -7.134) 7.563 10.224 ( -4.121 0.000 5.340) 6.745 10.589 ( 1.097 -0.000 -0.679) 1.290 10.647 ( -5.524 0.000 -1.372) 5.691 11.252 ( 3.974 -0.000 8.119) 9.040 11.291 ( 0.496 -0.000 0.199) 0.534 11.311 ( 1.196 -0.000 0.037) 1.196 11.379 ( -3.256 0.000 -5.684) 6.551 11.785 ( -1.481 0.000 5.410) 5.609 11.796 ( 1.232 -0.000 -7.044) 7.151 12.048 ( 4.481 -0.000 -4.382) 6.268 12.088 ( -3.029 0.000 1.916) 3.585 12.463 ( 2.643 -0.000 -4.943) 5.605 12.503 ( -4.243 0.000 3.515) 5.509 12.787 ( 5.666 -0.000 -1.696) 5.915 12.843 ( -2.422 0.000 3.668) 4.395 13.228 ( 4.272 -0.000 -0.453) 4.296 13.266 ( -2.364 0.000 3.864) 4.530 13.653 ( 5.386 -0.000 -1.723) 5.655 13.736 ( -4.888 0.000 2.188) 5.355 13.891 ( 3.819 -0.000 -5.239) 6.484 13.923 ( -2.850 0.000 4.223) 5.094 ======================= Grid point 292 (140/140) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.86e-04 2.86e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.144 ( 12.239 -5.059 -7.631) 15.284 3.144 ( -12.239 -5.059 7.631) 15.284 3.362 ( 20.236 -7.128 -16.864) 27.290 3.362 ( -20.236 -7.128 16.864) 27.290 4.327 ( -0.412 -4.694 -8.985) 10.146 4.327 ( 0.412 -4.694 8.985) 10.146 4.685 ( -5.160 -1.654 -12.378) 13.512 4.685 ( 5.160 -1.654 12.378) 13.512 5.073 ( 8.042 5.229 -7.301) 12.055 5.073 ( -8.042 5.229 7.301) 12.055 5.536 ( 4.486 13.328 -8.386) 16.373 5.536 ( -4.486 13.328 8.386) 16.373 5.921 ( 3.940 -5.560 -6.299) 9.280 5.921 ( -3.940 -5.560 6.299) 9.280 6.557 ( 4.545 -7.692 -14.621) 17.135 6.557 ( -4.545 -7.692 14.621) 17.135 7.051 ( -3.365 -3.082 -7.619) 8.881 7.051 ( 3.365 -3.082 7.619) 8.881 7.585 ( -5.115 -3.319 -9.746) 11.496 7.585 ( 5.115 -3.319 9.746) 11.496 7.828 ( 2.604 -4.313 -1.104) 5.158 7.828 ( -2.604 -4.313 1.104) 5.158 8.105 ( 2.822 -3.936 -6.060) 7.757 8.105 ( -2.822 -3.936 6.060) 7.757 9.026 ( 0.756 -3.730 -1.506) 4.093 9.026 ( -0.756 -3.730 1.506) 4.093 9.148 ( 0.712 -2.052 -2.226) 3.110 9.148 ( -0.712 -2.052 2.226) 3.110 9.632 ( -2.417 1.643 -4.464) 5.335 9.632 ( 2.417 1.643 4.464) 5.335 9.810 ( 0.462 -0.813 -4.449) 4.546 9.810 ( -0.462 -0.813 4.449) 4.546 10.213 ( 3.781 -0.533 -6.399) 7.452 10.213 ( -3.781 -0.533 6.399) 7.452 10.631 ( -2.832 -2.116 -1.274) 3.757 10.631 ( 2.832 -2.116 1.274) 3.757 11.224 ( 0.611 5.600 -1.553) 5.843 11.224 ( -0.611 5.600 1.553) 5.843 11.296 ( -3.519 4.708 -5.226) 7.865 11.296 ( 3.519 4.708 5.226) 7.865 11.825 ( 2.177 -3.320 -4.541) 6.032 11.825 ( -2.177 -3.320 4.541) 6.032 12.052 ( 3.568 1.605 -3.465) 5.226 12.052 ( -3.568 1.605 3.465) 5.226 12.483 ( 3.271 -0.305 -4.343) 5.445 12.483 ( -3.271 -0.305 4.343) 5.445 12.798 ( 3.511 2.612 -2.995) 5.303 12.798 ( -3.511 2.612 2.995) 5.303 13.229 ( 3.071 2.391 -3.011) 4.921 13.229 ( -3.071 2.391 3.011) 4.921 13.663 ( 1.293 3.247 -1.978) 4.016 13.663 ( -1.293 3.247 1.978) 4.016 13.879 ( 2.439 2.936 -5.232) 6.476 13.879 ( -2.439 2.936 5.232) 6.476 =================== 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 3/26244 10.0 3413.757 1652.950 1143.624 0.000 632.375 -0.000 3/26244 20.0 2210.193 1373.099 1521.943 0.000 155.956 -0.000 3/26244 30.0 762.060 594.023 700.246 0.000 -1.781 -0.000 3/26244 40.0 332.053 281.953 337.754 0.000 -13.257 -0.000 3/26244 50.0 169.945 150.129 180.151 0.000 -9.677 0.000 3/26244 60.0 98.688 89.312 107.250 0.000 -6.614 0.000 3/26244 70.0 63.409 58.429 70.190 0.000 -4.699 0.000 3/26244 80.0 44.103 41.246 49.537 0.000 -3.507 0.000 3/26244 90.0 32.630 30.903 37.086 0.000 -2.733 0.000 3/26244 100.0 25.337 24.255 29.076 0.000 -2.209 0.000 3/26244 110.0 20.438 19.745 23.639 0.000 -1.839 0.000 3/26244 120.0 16.993 16.546 19.781 0.000 -1.568 0.000 3/26244 130.0 14.477 14.190 16.941 0.000 -1.364 0.000 3/26244 140.0 12.579 12.399 14.783 0.000 -1.205 0.000 3/26244 150.0 11.107 11.001 13.100 0.000 -1.079 0.000 3/26244 160.0 9.938 9.884 11.757 0.000 -0.977 0.000 3/26244 170.0 8.991 8.974 10.664 0.000 -0.893 0.000 3/26244 180.0 8.211 8.221 9.759 0.000 -0.823 0.000 3/26244 190.0 7.558 7.587 8.999 0.000 -0.763 0.000 3/26244 200.0 7.004 7.047 8.351 0.000 -0.712 0.000 3/26244 210.0 6.528 6.582 7.794 0.000 -0.668 0.000 3/26244 220.0 6.115 6.177 7.310 0.000 -0.629 0.000 3/26244 230.0 5.754 5.821 6.885 0.000 -0.594 0.000 3/26244 240.0 5.435 5.506 6.509 0.000 -0.564 0.000 3/26244 250.0 5.151 5.225 6.174 0.000 -0.536 0.000 3/26244 260.0 4.897 4.973 5.873 0.000 -0.512 0.000 3/26244 270.0 4.668 4.746 5.602 0.000 -0.489 0.000 3/26244 280.0 4.461 4.539 5.356 0.000 -0.469 0.000 3/26244 290.0 4.273 4.351 5.132 0.000 -0.450 0.000 3/26244 300.0 4.100 4.179 4.927 0.000 -0.433 0.000 3/26244 310.0 3.942 4.020 4.738 0.000 -0.417 0.000 3/26244 320.0 3.796 3.874 4.565 0.000 -0.402 0.000 3/26244 330.0 3.661 3.738 4.404 0.000 -0.389 0.000 3/26244 340.0 3.536 3.612 4.254 0.000 -0.376 0.000 3/26244 350.0 3.419 3.495 4.115 0.000 -0.364 0.000 3/26244 360.0 3.311 3.386 3.986 0.000 -0.353 0.000 3/26244 370.0 3.209 3.283 3.864 0.000 -0.343 0.000 3/26244 380.0 3.114 3.187 3.750 0.000 -0.333 0.000 3/26244 390.0 3.024 3.096 3.643 0.000 -0.324 0.000 3/26244 400.0 2.940 3.011 3.542 0.000 -0.315 0.000 3/26244 410.0 2.861 2.931 3.447 0.000 -0.307 0.000 3/26244 420.0 2.786 2.855 3.357 0.000 -0.299 0.000 3/26244 430.0 2.714 2.783 3.271 0.000 -0.292 0.000 3/26244 440.0 2.647 2.714 3.191 0.000 -0.285 0.000 3/26244 450.0 2.583 2.649 3.114 0.000 -0.278 0.000 3/26244 460.0 2.522 2.587 3.041 0.000 -0.272 0.000 3/26244 470.0 2.464 2.528 2.971 0.000 -0.266 0.000 3/26244 480.0 2.409 2.472 2.905 0.000 -0.260 0.000 3/26244 490.0 2.356 2.419 2.841 0.000 -0.254 0.000 3/26244 500.0 2.306 2.367 2.781 0.000 -0.249 0.000 3/26244 510.0 2.258 2.318 2.723 0.000 -0.244 0.000 3/26244 520.0 2.211 2.271 2.667 0.000 -0.239 0.000 3/26244 530.0 2.167 2.226 2.614 0.000 -0.235 0.000 3/26244 540.0 2.125 2.183 2.563 0.000 -0.230 0.000 3/26244 550.0 2.084 2.141 2.514 0.000 -0.226 0.000 3/26244 560.0 2.045 2.101 2.467 0.000 -0.222 0.000 3/26244 570.0 2.007 2.063 2.421 0.000 -0.218 0.000 3/26244 580.0 1.971 2.025 2.378 0.000 -0.214 0.000 3/26244 590.0 1.936 1.990 2.335 0.000 -0.210 0.000 3/26244 600.0 1.902 1.955 2.295 0.000 -0.206 0.000 3/26244 610.0 1.869 1.922 2.256 0.000 -0.203 0.000 3/26244 620.0 1.838 1.890 2.218 0.000 -0.200 0.000 3/26244 630.0 1.807 1.859 2.181 0.000 -0.196 0.000 3/26244 640.0 1.778 1.829 2.146 0.000 -0.193 0.000 3/26244 650.0 1.750 1.800 2.112 0.000 -0.190 0.000 3/26244 660.0 1.722 1.772 2.079 0.000 -0.187 0.000 3/26244 670.0 1.696 1.744 2.046 0.000 -0.184 0.000 3/26244 680.0 1.670 1.718 2.015 0.000 -0.182 0.000 3/26244 690.0 1.645 1.692 1.985 0.000 -0.179 0.000 3/26244 700.0 1.621 1.668 1.956 0.000 -0.176 0.000 3/26244 710.0 1.597 1.643 1.928 0.000 -0.174 0.000 3/26244 720.0 1.574 1.620 1.900 0.000 -0.171 0.000 3/26244 730.0 1.552 1.597 1.873 0.000 -0.169 0.000 3/26244 740.0 1.530 1.575 1.847 0.000 -0.167 0.000 3/26244 750.0 1.510 1.554 1.822 0.000 -0.165 0.000 3/26244 760.0 1.489 1.533 1.798 0.000 -0.162 0.000 3/26244 770.0 1.469 1.513 1.774 0.000 -0.160 0.000 3/26244 780.0 1.450 1.493 1.750 0.000 -0.158 0.000 3/26244 790.0 1.431 1.474 1.728 0.000 -0.156 0.000 3/26244 800.0 1.413 1.455 1.706 0.000 -0.154 0.000 3/26244 810.0 1.395 1.436 1.684 0.000 -0.152 0.000 3/26244 820.0 1.378 1.419 1.663 0.000 -0.150 0.000 3/26244 830.0 1.361 1.401 1.643 0.000 -0.149 0.000 3/26244 840.0 1.344 1.384 1.623 0.000 -0.147 0.000 3/26244 850.0 1.328 1.368 1.603 0.000 -0.145 0.000 3/26244 860.0 1.312 1.352 1.584 0.000 -0.143 0.000 3/26244 870.0 1.297 1.336 1.566 0.000 -0.142 0.000 3/26244 880.0 1.282 1.320 1.548 0.000 -0.140 0.000 3/26244 890.0 1.267 1.305 1.530 0.000 -0.138 0.000 3/26244 900.0 1.253 1.291 1.513 0.000 -0.137 0.000 3/26244 910.0 1.239 1.276 1.496 0.000 -0.135 0.000 3/26244 920.0 1.225 1.262 1.479 0.000 -0.134 0.000 3/26244 930.0 1.212 1.249 1.463 0.000 -0.132 0.000 3/26244 940.0 1.199 1.235 1.448 0.000 -0.131 0.000 3/26244 950.0 1.186 1.222 1.432 0.000 -0.130 0.000 3/26244 960.0 1.173 1.209 1.417 0.000 -0.128 0.000 3/26244 970.0 1.161 1.196 1.402 0.000 -0.127 0.000 3/26244 980.0 1.149 1.184 1.388 0.000 -0.126 0.000 3/26244 990.0 1.137 1.172 1.373 0.000 -0.124 0.000 3/26244 1000.0 1.126 1.160 1.360 0.000 -0.123 0.000 3/26244 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:44:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|