----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 08:21:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.490911920000000 -3.098189495000001 0.000000000000000 b 8.490911920000000 3.098189495000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.189056260000002 Atomic positions (fractional): *1 Ba 0.16028723753309 0.16028723753309 0.00000000000000 137.327 2 Ba 0.33971276246691 0.33971276246691 0.50000000000000 137.327 3 Ba 0.83971276246691 0.83971276246691 0.00000000000000 137.327 4 Ba 0.66028723753309 0.66028723753309 0.50000000000000 137.327 *5 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 6 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 *7 F 0.50614863861598 0.99385136138402 0.75000000000000 18.998 8 F 0.99385136138402 0.50614863861598 0.25000000000000 18.998 9 F 0.49385136138402 0.00614863861598 0.25000000000000 18.998 10 F 0.00614863861598 0.49385136138402 0.75000000000000 18.998 *11 F 0.73998962179599 0.42572845244623 0.84251865441053 18.998 12 F 0.76001037820401 0.07427154755377 0.34251865441053 18.998 13 F 0.07427154755377 0.76001037820401 0.65748134558947 18.998 14 F 0.42572845244623 0.73998962179599 0.15748134558947 18.998 15 F 0.26001037820401 0.57427154755377 0.15748134558947 18.998 16 F 0.23998962179599 0.92572845244623 0.65748134558947 18.998 17 F 0.92572845244623 0.23998962179599 0.34251865441053 18.998 18 F 0.57427154755377 0.26001037820401 0.84251865441053 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.981823840000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.196378990000002 0.000000000000000 c 0.000000000000000 0.000000000000000 6.189056260000002 Atomic positions (fractional): *1 Ba 0.16028723753309 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.33971276246691 0.00000000000000 0.50000000000000 137.327 > 2 3 Ba 0.33971276246691 0.50000000000000 0.00000000000000 137.327 > 3 4 Ba 0.16028723753309 0.50000000000000 0.50000000000000 137.327 > 4 5 Ba 0.66028723753309 0.50000000000000 0.00000000000000 137.327 > 1 6 Ba 0.83971276246691 0.50000000000000 0.50000000000000 137.327 > 2 7 Ba 0.83971276246691 0.00000000000000 0.00000000000000 137.327 > 3 8 Ba 0.66028723753309 0.00000000000000 0.50000000000000 137.327 > 4 *9 Pd 0.00000000000000 0.50000000000000 0.00000000000000 106.420 > 5 10 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 > 6 11 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 5 12 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 6 *13 F 0.25000000000000 0.74385136138402 0.75000000000000 18.998 > 7 14 F 0.25000000000000 0.25614863861597 0.25000000000000 18.998 > 8 15 F 0.25000000000000 0.75614863861598 0.25000000000000 18.998 > 9 16 F 0.25000000000000 0.24385136138402 0.75000000000000 18.998 > 10 *17 F 0.08285903712111 0.34286941532512 0.84251865441053 18.998 > 11 18 F 0.41714096287889 0.65713058467488 0.34251865441053 18.998 > 12 19 F 0.41714096287889 0.34286941532512 0.65748134558947 18.998 > 13 20 F 0.08285903712111 0.65713058467488 0.15748134558947 18.998 > 14 21 F 0.41714096287889 0.15713058467488 0.15748134558947 18.998 > 15 22 F 0.08285903712111 0.84286941532512 0.65748134558947 18.998 > 16 23 F 0.08285903712111 0.15713058467488 0.34251865441053 18.998 > 17 24 F 0.41714096287889 0.84286941532512 0.84251865441053 18.998 > 18 25 F 0.75000000000000 0.24385136138402 0.75000000000000 18.998 > 7 26 F 0.75000000000000 0.75614863861598 0.25000000000000 18.998 > 8 27 F 0.75000000000000 0.25614863861597 0.25000000000000 18.998 > 9 28 F 0.75000000000000 0.74385136138402 0.75000000000000 18.998 > 10 29 F 0.58285903712111 0.84286941532512 0.84251865441053 18.998 > 11 30 F 0.91714096287889 0.15713058467488 0.34251865441053 18.998 > 12 31 F 0.91714096287889 0.84286941532512 0.65748134558947 18.998 > 13 32 F 0.58285903712111 0.15713058467488 0.15748134558947 18.998 > 14 33 F 0.91714096287889 0.65713058467488 0.15748134558947 18.998 > 15 34 F 0.58285903712111 0.34286941532512 0.65748134558947 18.998 > 16 35 F 0.58285903712111 0.65713058467488 0.34251865441053 18.998 > 17 36 F 0.91714096287889 0.34286941532512 0.84251865441053 18.998 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.981823840000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.392757980000004 0.000000000000000 c 0.000000000000000 0.000000000000000 12.378112520000004 Atomic positions (fractional): *1 Ba 0.16028723753309 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.16028723753309 0.50000000000000 0.00000000000000 137.327 > 1 3 Ba 0.16028723753309 0.00000000000000 0.50000000000000 137.327 > 1 4 Ba 0.16028723753309 0.50000000000000 0.50000000000000 137.327 > 1 5 Ba 0.33971276246691 0.00000000000000 0.25000000000000 137.327 > 2 6 Ba 0.33971276246691 0.50000000000000 0.25000000000000 137.327 > 2 7 Ba 0.33971276246691 0.00000000000000 0.75000000000000 137.327 > 2 8 Ba 0.33971276246691 0.50000000000000 0.75000000000000 137.327 > 2 9 Ba 0.33971276246691 0.25000000000000 0.00000000000000 137.327 > 3 10 Ba 0.33971276246691 0.75000000000000 0.00000000000000 137.327 > 3 11 Ba 0.33971276246691 0.25000000000000 0.50000000000000 137.327 > 3 12 Ba 0.33971276246691 0.75000000000000 0.50000000000000 137.327 > 3 13 Ba 0.16028723753309 0.25000000000000 0.25000000000000 137.327 > 4 14 Ba 0.16028723753309 0.75000000000000 0.25000000000000 137.327 > 4 15 Ba 0.16028723753309 0.25000000000000 0.75000000000000 137.327 > 4 16 Ba 0.16028723753309 0.75000000000000 0.75000000000000 137.327 > 4 17 Ba 0.66028723753309 0.25000000000000 0.00000000000000 137.327 > 1 18 Ba 0.66028723753309 0.75000000000000 0.00000000000000 137.327 > 1 19 Ba 0.66028723753309 0.25000000000000 0.50000000000000 137.327 > 1 20 Ba 0.66028723753309 0.75000000000000 0.50000000000000 137.327 > 1 21 Ba 0.83971276246691 0.25000000000000 0.25000000000000 137.327 > 2 22 Ba 0.83971276246691 0.75000000000000 0.25000000000000 137.327 > 2 23 Ba 0.83971276246691 0.25000000000000 0.75000000000000 137.327 > 2 24 Ba 0.83971276246691 0.75000000000000 0.75000000000000 137.327 > 2 25 Ba 0.83971276246691 0.00000000000000 0.00000000000000 137.327 > 3 26 Ba 0.83971276246691 0.50000000000000 0.00000000000000 137.327 > 3 27 Ba 0.83971276246691 0.00000000000000 0.50000000000000 137.327 > 3 28 Ba 0.83971276246691 0.50000000000000 0.50000000000000 137.327 > 3 29 Ba 0.66028723753309 0.00000000000000 0.25000000000000 137.327 > 4 30 Ba 0.66028723753309 0.50000000000000 0.25000000000000 137.327 > 4 31 Ba 0.66028723753309 0.00000000000000 0.75000000000000 137.327 > 4 32 Ba 0.66028723753309 0.50000000000000 0.75000000000000 137.327 > 4 *33 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 5 34 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 5 35 Pd 0.00000000000000 0.25000000000000 0.50000000000000 106.420 > 5 36 Pd 0.00000000000000 0.75000000000000 0.50000000000000 106.420 > 5 37 Pd 0.00000000000000 0.00000000000000 0.25000000000000 106.420 > 6 38 Pd 0.00000000000000 0.50000000000000 0.25000000000000 106.420 > 6 39 Pd 0.00000000000000 0.00000000000000 0.75000000000000 106.420 > 6 40 Pd 0.00000000000000 0.50000000000000 0.75000000000000 106.420 > 6 41 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 5 42 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 5 43 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 5 44 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 5 45 Pd 0.50000000000000 0.25000000000000 0.25000000000000 106.420 > 6 46 Pd 0.50000000000000 0.75000000000000 0.25000000000000 106.420 > 6 47 Pd 0.50000000000000 0.25000000000000 0.75000000000000 106.420 > 6 48 Pd 0.50000000000000 0.75000000000000 0.75000000000000 106.420 > 6 *49 F 0.25000000000000 0.37192568069201 0.37500000000000 18.998 > 7 50 F 0.25000000000000 0.87192568069201 0.37500000000000 18.998 > 7 51 F 0.25000000000000 0.37192568069201 0.87500000000000 18.998 > 7 52 F 0.25000000000000 0.87192568069201 0.87500000000000 18.998 > 7 53 F 0.25000000000000 0.12807431930799 0.12500000000000 18.998 > 8 54 F 0.25000000000000 0.62807431930799 0.12500000000000 18.998 > 8 55 F 0.25000000000000 0.12807431930799 0.62500000000000 18.998 > 8 56 F 0.25000000000000 0.62807431930799 0.62500000000000 18.998 > 8 57 F 0.25000000000000 0.37807431930799 0.12500000000000 18.998 > 9 58 F 0.25000000000000 0.87807431930799 0.12500000000000 18.998 > 9 59 F 0.25000000000000 0.37807431930799 0.62500000000000 18.998 > 9 60 F 0.25000000000000 0.87807431930799 0.62500000000000 18.998 > 9 61 F 0.25000000000000 0.12192568069201 0.37500000000000 18.998 > 10 62 F 0.25000000000000 0.62192568069201 0.37500000000000 18.998 > 10 63 F 0.25000000000000 0.12192568069201 0.87500000000000 18.998 > 10 64 F 0.25000000000000 0.62192568069201 0.87500000000000 18.998 > 10 *65 F 0.08285903712111 0.17143470766256 0.42125932720526 18.998 > 11 66 F 0.08285903712111 0.67143470766256 0.42125932720526 18.998 > 11 67 F 0.08285903712111 0.17143470766256 0.92125932720526 18.998 > 11 68 F 0.08285903712111 0.67143470766256 0.92125932720526 18.998 > 11 69 F 0.41714096287889 0.32856529233744 0.17125932720526 18.998 > 12 70 F 0.41714096287889 0.82856529233744 0.17125932720526 18.998 > 12 71 F 0.41714096287889 0.32856529233744 0.67125932720526 18.998 > 12 72 F 0.41714096287889 0.82856529233744 0.67125932720526 18.998 > 12 73 F 0.41714096287889 0.17143470766256 0.32874067279474 18.998 > 13 74 F 0.41714096287889 0.67143470766256 0.32874067279474 18.998 > 13 75 F 0.41714096287889 0.17143470766256 0.82874067279474 18.998 > 13 76 F 0.41714096287889 0.67143470766256 0.82874067279474 18.998 > 13 77 F 0.08285903712111 0.32856529233744 0.07874067279473 18.998 > 14 78 F 0.08285903712111 0.82856529233744 0.07874067279473 18.998 > 14 79 F 0.08285903712111 0.32856529233744 0.57874067279473 18.998 > 14 80 F 0.08285903712111 0.82856529233744 0.57874067279473 18.998 > 14 81 F 0.41714096287889 0.07856529233744 0.07874067279473 18.998 > 15 82 F 0.41714096287889 0.57856529233744 0.07874067279473 18.998 > 15 83 F 0.41714096287889 0.07856529233744 0.57874067279473 18.998 > 15 84 F 0.41714096287889 0.57856529233744 0.57874067279473 18.998 > 15 85 F 0.08285903712111 0.42143470766256 0.32874067279474 18.998 > 16 86 F 0.08285903712111 0.92143470766256 0.32874067279474 18.998 > 16 87 F 0.08285903712111 0.42143470766256 0.82874067279474 18.998 > 16 88 F 0.08285903712111 0.92143470766256 0.82874067279474 18.998 > 16 89 F 0.08285903712111 0.07856529233744 0.17125932720526 18.998 > 17 90 F 0.08285903712111 0.57856529233744 0.17125932720526 18.998 > 17 91 F 0.08285903712111 0.07856529233744 0.67125932720526 18.998 > 17 92 F 0.08285903712111 0.57856529233744 0.67125932720526 18.998 > 17 93 F 0.41714096287889 0.42143470766256 0.42125932720526 18.998 > 18 94 F 0.41714096287889 0.92143470766256 0.42125932720526 18.998 > 18 95 F 0.41714096287889 0.42143470766256 0.92125932720526 18.998 > 18 96 F 0.41714096287889 0.92143470766256 0.92125932720526 18.998 > 18 97 F 0.75000000000000 0.12192568069201 0.37500000000000 18.998 > 7 98 F 0.75000000000000 0.62192568069201 0.37500000000000 18.998 > 7 99 F 0.75000000000000 0.12192568069201 0.87500000000000 18.998 > 7 100 F 0.75000000000000 0.62192568069201 0.87500000000000 18.998 > 7 101 F 0.75000000000000 0.37807431930799 0.12500000000000 18.998 > 8 102 F 0.75000000000000 0.87807431930799 0.12500000000000 18.998 > 8 103 F 0.75000000000000 0.37807431930799 0.62500000000000 18.998 > 8 104 F 0.75000000000000 0.87807431930799 0.62500000000000 18.998 > 8 105 F 0.75000000000000 0.12807431930799 0.12500000000000 18.998 > 9 106 F 0.75000000000000 0.62807431930799 0.12500000000000 18.998 > 9 107 F 0.75000000000000 0.12807431930799 0.62500000000000 18.998 > 9 108 F 0.75000000000000 0.62807431930799 0.62500000000000 18.998 > 9 109 F 0.75000000000000 0.37192568069201 0.37500000000000 18.998 > 10 110 F 0.75000000000000 0.87192568069201 0.37500000000000 18.998 > 10 111 F 0.75000000000000 0.37192568069201 0.87500000000000 18.998 > 10 112 F 0.75000000000000 0.87192568069201 0.87500000000000 18.998 > 10 113 F 0.58285903712111 0.42143470766256 0.42125932720526 18.998 > 11 114 F 0.58285903712111 0.92143470766256 0.42125932720526 18.998 > 11 115 F 0.58285903712111 0.42143470766256 0.92125932720526 18.998 > 11 116 F 0.58285903712111 0.92143470766256 0.92125932720526 18.998 > 11 117 F 0.91714096287889 0.07856529233744 0.17125932720526 18.998 > 12 118 F 0.91714096287889 0.57856529233744 0.17125932720526 18.998 > 12 119 F 0.91714096287889 0.07856529233744 0.67125932720526 18.998 > 12 120 F 0.91714096287889 0.57856529233744 0.67125932720526 18.998 > 12 121 F 0.91714096287889 0.42143470766256 0.32874067279474 18.998 > 13 122 F 0.91714096287889 0.92143470766256 0.32874067279474 18.998 > 13 123 F 0.91714096287889 0.42143470766256 0.82874067279474 18.998 > 13 124 F 0.91714096287889 0.92143470766256 0.82874067279474 18.998 > 13 125 F 0.58285903712111 0.07856529233744 0.07874067279473 18.998 > 14 126 F 0.58285903712111 0.57856529233744 0.07874067279473 18.998 > 14 127 F 0.58285903712111 0.07856529233744 0.57874067279473 18.998 > 14 128 F 0.58285903712111 0.57856529233744 0.57874067279473 18.998 > 14 129 F 0.91714096287889 0.32856529233744 0.07874067279473 18.998 > 15 130 F 0.91714096287889 0.82856529233744 0.07874067279473 18.998 > 15 131 F 0.91714096287889 0.32856529233744 0.57874067279473 18.998 > 15 132 F 0.91714096287889 0.82856529233744 0.57874067279473 18.998 > 15 133 F 0.58285903712111 0.17143470766256 0.32874067279474 18.998 > 16 134 F 0.58285903712111 0.67143470766256 0.32874067279474 18.998 > 16 135 F 0.58285903712111 0.17143470766256 0.82874067279474 18.998 > 16 136 F 0.58285903712111 0.67143470766256 0.82874067279474 18.998 > 16 137 F 0.58285903712111 0.32856529233744 0.17125932720526 18.998 > 17 138 F 0.58285903712111 0.82856529233744 0.17125932720526 18.998 > 17 139 F 0.58285903712111 0.32856529233744 0.67125932720526 18.998 > 17 140 F 0.58285903712111 0.82856529233744 0.67125932720526 18.998 > 17 141 F 0.91714096287889 0.17143470766256 0.42125932720526 18.998 > 18 142 F 0.91714096287889 0.67143470766256 0.42125932720526 18.998 > 18 143 F 0.91714096287889 0.17143470766256 0.92125932720526 18.998 > 18 144 F 0.91714096287889 0.67143470766256 0.92125932720526 18.998 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6798430 0.0000000 0.0000000 0.0000000 2.5935978 0.0000000 0.0000000 0.0000000 2.5953501 -------------------------- Born effective charges -------------------------- 1 Ba 2.6963541 0.0000000 0.0000000 0.0000000 2.7285813 -0.1561445 0.0000000 0.1028910 2.7325223 2 Ba 2.6963541 0.0000000 0.0000000 0.0000000 2.7285813 0.1561445 0.0000000 -0.1028910 2.7325223 3 Ba 2.6963541 0.0000000 0.0000000 0.0000000 2.7285813 -0.1561445 0.0000000 0.1028910 2.7325223 4 Ba 2.6963541 0.0000000 0.0000000 0.0000000 2.7285813 0.1561445 0.0000000 -0.1028910 2.7325223 5 Pd 2.1442614 0.0000000 0.0000000 0.0000000 1.2345172 0.9540459 0.0000000 0.9555254 1.2378976 6 Pd 2.1442614 0.0000000 0.0000000 0.0000000 1.2345172 -0.9540459 0.0000000 -0.9555254 1.2378976 7 F -1.4292520 0.0000000 -0.0423052 0.0000000 -1.3076333 0.0000000 -0.0616617 0.0000000 -1.3055305 8 F -1.4292520 0.0000000 0.0423052 0.0000000 -1.3076333 0.0000000 0.0616617 0.0000000 -1.3055305 9 F -1.4292520 0.0000000 -0.0423052 0.0000000 -1.3076333 0.0000000 -0.0616617 0.0000000 -1.3055305 10 F -1.4292520 0.0000000 0.0423052 0.0000000 -1.3076333 0.0000000 0.0616617 0.0000000 -1.3055305 11 F -1.1696164 0.4323804 0.4362208 0.4521040 -1.0191033 -0.1266823 0.4559045 -0.1255746 -1.0229703 12 F -1.1696164 0.4323804 -0.4362208 0.4521040 -1.0191033 0.1266823 -0.4559045 0.1255746 -1.0229703 13 F -1.1696164 -0.4323804 0.4362208 -0.4521040 -1.0191033 0.1266823 0.4559045 0.1255746 -1.0229703 14 F -1.1696164 -0.4323804 -0.4362208 -0.4521040 -1.0191033 -0.1266823 -0.4559045 -0.1255746 -1.0229703 15 F -1.1696164 0.4323804 0.4362208 0.4521040 -1.0191033 -0.1266823 0.4559045 -0.1255746 -1.0229703 16 F -1.1696164 0.4323804 -0.4362208 0.4521040 -1.0191033 0.1266823 -0.4559045 0.1255746 -1.0229703 17 F -1.1696164 -0.4323804 0.4362208 -0.4521040 -1.0191033 0.1266823 0.4559045 0.1255746 -1.0229703 18 F -1.1696164 -0.4323804 -0.4362208 -0.4521040 -1.0191033 -0.1266823 -0.4559045 -0.1255746 -1.0229703 ---------------------------------------------------------------------------- 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: 14832/14832 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1581 Number of blocks in projector: 1581 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: 330 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 209 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 209 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 209 Use standard eigh solver. Tree of FC basis block matrices: - (1581, 1557), data: False |-- (209, 205), data: True |-- (209, 205), data: True |-- (209, 205), data: True |-- (304, 302), data: True |-- (320, 316), data: True |-- (330, 324), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 320 - Time: 2.996 Solver_block: 200 / 320 - Time: 2.888 Solver_block: 300 / 320 - Time: 3.039 Solver_block: 320 / 320 - Time: 0.770 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.000 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 14832/14832 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1581 Number of blocks in projector: 1581 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: 330 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 320 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 304 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 209 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 209 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 209 Use standard eigh solver. Tree of FC basis block matrices: - (1581, 1557), data: False |-- (209, 205), data: True |-- (209, 205), data: True |-- (209, 205), data: True |-- (304, 302), data: True |-- (320, 316), data: True |-- (330, 324), 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 08:22:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:22:27]------------------------- 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: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.490911920000000 -3.098189495000001 0.000000000000000 b 8.490911920000000 3.098189495000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.189056260000002 Atomic positions (fractional): 1 Ba 0.16028723753309 0.16028723753309 0.00000000000000 137.327 2 Ba 0.33971276246691 0.33971276246691 0.50000000000000 137.327 3 Ba 0.83971276246691 0.83971276246691 0.00000000000000 137.327 4 Ba 0.66028723753309 0.66028723753309 0.50000000000000 137.327 5 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 6 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 7 F 0.50614863861598 0.99385136138402 0.75000000000000 18.998 8 F 0.99385136138402 0.50614863861598 0.25000000000000 18.998 9 F 0.49385136138402 0.00614863861598 0.25000000000000 18.998 10 F 0.00614863861598 0.49385136138402 0.75000000000000 18.998 11 F 0.73998962179599 0.42572845244623 0.84251865441053 18.998 12 F 0.76001037820401 0.07427154755377 0.34251865441053 18.998 13 F 0.07427154755377 0.76001037820401 0.65748134558947 18.998 14 F 0.42572845244623 0.73998962179599 0.15748134558947 18.998 15 F 0.26001037820401 0.57427154755377 0.15748134558947 18.998 16 F 0.23998962179599 0.92572845244623 0.65748134558947 18.998 17 F 0.92572845244623 0.23998962179599 0.34251865441053 18.998 18 F 0.57427154755377 0.26001037820401 0.84251865441053 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.981823840000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.392757980000004 0.000000000000000 c 0.000000000000000 0.000000000000000 12.378112520000004 Atomic positions (fractional): 1 Ba 0.16028723753309 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.16028723753309 0.50000000000000 0.00000000000000 137.327 > 1 3 Ba 0.16028723753309 0.00000000000000 0.50000000000000 137.327 > 1 4 Ba 0.16028723753309 0.50000000000000 0.50000000000000 137.327 > 1 5 Ba 0.33971276246691 0.00000000000000 0.25000000000000 137.327 > 5 6 Ba 0.33971276246691 0.50000000000000 0.25000000000000 137.327 > 5 7 Ba 0.33971276246691 0.00000000000000 0.75000000000000 137.327 > 5 8 Ba 0.33971276246691 0.50000000000000 0.75000000000000 137.327 > 5 9 Ba 0.33971276246691 0.25000000000000 0.00000000000000 137.327 > 9 10 Ba 0.33971276246691 0.75000000000000 0.00000000000000 137.327 > 9 11 Ba 0.33971276246691 0.25000000000000 0.50000000000000 137.327 > 9 12 Ba 0.33971276246691 0.75000000000000 0.50000000000000 137.327 > 9 13 Ba 0.16028723753309 0.25000000000000 0.25000000000000 137.327 > 13 14 Ba 0.16028723753309 0.75000000000000 0.25000000000000 137.327 > 13 15 Ba 0.16028723753309 0.25000000000000 0.75000000000000 137.327 > 13 16 Ba 0.16028723753309 0.75000000000000 0.75000000000000 137.327 > 13 17 Ba 0.66028723753309 0.25000000000000 0.00000000000000 137.327 > 1 18 Ba 0.66028723753309 0.75000000000000 0.00000000000000 137.327 > 1 19 Ba 0.66028723753309 0.25000000000000 0.50000000000000 137.327 > 1 20 Ba 0.66028723753309 0.75000000000000 0.50000000000000 137.327 > 1 21 Ba 0.83971276246691 0.25000000000000 0.25000000000000 137.327 > 5 22 Ba 0.83971276246691 0.75000000000000 0.25000000000000 137.327 > 5 23 Ba 0.83971276246691 0.25000000000000 0.75000000000000 137.327 > 5 24 Ba 0.83971276246691 0.75000000000000 0.75000000000000 137.327 > 5 25 Ba 0.83971276246691 0.00000000000000 0.00000000000000 137.327 > 9 26 Ba 0.83971276246691 0.50000000000000 0.00000000000000 137.327 > 9 27 Ba 0.83971276246691 0.00000000000000 0.50000000000000 137.327 > 9 28 Ba 0.83971276246691 0.50000000000000 0.50000000000000 137.327 > 9 29 Ba 0.66028723753309 0.00000000000000 0.25000000000000 137.327 > 13 30 Ba 0.66028723753309 0.50000000000000 0.25000000000000 137.327 > 13 31 Ba 0.66028723753309 0.00000000000000 0.75000000000000 137.327 > 13 32 Ba 0.66028723753309 0.50000000000000 0.75000000000000 137.327 > 13 33 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 33 34 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 33 35 Pd 0.00000000000000 0.25000000000000 0.50000000000000 106.420 > 33 36 Pd 0.00000000000000 0.75000000000000 0.50000000000000 106.420 > 33 37 Pd 0.00000000000000 0.00000000000000 0.25000000000000 106.420 > 37 38 Pd 0.00000000000000 0.50000000000000 0.25000000000000 106.420 > 37 39 Pd 0.00000000000000 0.00000000000000 0.75000000000000 106.420 > 37 40 Pd 0.00000000000000 0.50000000000000 0.75000000000000 106.420 > 37 41 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 33 42 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 33 43 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 33 44 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 33 45 Pd 0.50000000000000 0.25000000000000 0.25000000000000 106.420 > 37 46 Pd 0.50000000000000 0.75000000000000 0.25000000000000 106.420 > 37 47 Pd 0.50000000000000 0.25000000000000 0.75000000000000 106.420 > 37 48 Pd 0.50000000000000 0.75000000000000 0.75000000000000 106.420 > 37 49 F 0.25000000000000 0.37192568069201 0.37500000000000 18.998 > 49 50 F 0.25000000000000 0.87192568069201 0.37500000000000 18.998 > 49 51 F 0.25000000000000 0.37192568069201 0.87500000000000 18.998 > 49 52 F 0.25000000000000 0.87192568069201 0.87500000000000 18.998 > 49 53 F 0.25000000000000 0.12807431930799 0.12500000000000 18.998 > 53 54 F 0.25000000000000 0.62807431930799 0.12500000000000 18.998 > 53 55 F 0.25000000000000 0.12807431930799 0.62500000000000 18.998 > 53 56 F 0.25000000000000 0.62807431930799 0.62500000000000 18.998 > 53 57 F 0.25000000000000 0.37807431930799 0.12500000000000 18.998 > 57 58 F 0.25000000000000 0.87807431930799 0.12500000000000 18.998 > 57 59 F 0.25000000000000 0.37807431930799 0.62500000000000 18.998 > 57 60 F 0.25000000000000 0.87807431930799 0.62500000000000 18.998 > 57 61 F 0.25000000000000 0.12192568069201 0.37500000000000 18.998 > 61 62 F 0.25000000000000 0.62192568069201 0.37500000000000 18.998 > 61 63 F 0.25000000000000 0.12192568069201 0.87500000000000 18.998 > 61 64 F 0.25000000000000 0.62192568069201 0.87500000000000 18.998 > 61 65 F 0.08285903712111 0.17143470766256 0.42125932720526 18.998 > 65 66 F 0.08285903712111 0.67143470766256 0.42125932720526 18.998 > 65 67 F 0.08285903712111 0.17143470766256 0.92125932720526 18.998 > 65 68 F 0.08285903712111 0.67143470766256 0.92125932720526 18.998 > 65 69 F 0.41714096287889 0.32856529233744 0.17125932720526 18.998 > 69 70 F 0.41714096287889 0.82856529233744 0.17125932720526 18.998 > 69 71 F 0.41714096287889 0.32856529233744 0.67125932720526 18.998 > 69 72 F 0.41714096287889 0.82856529233744 0.67125932720526 18.998 > 69 73 F 0.41714096287889 0.17143470766256 0.32874067279474 18.998 > 73 74 F 0.41714096287889 0.67143470766256 0.32874067279474 18.998 > 73 75 F 0.41714096287889 0.17143470766256 0.82874067279474 18.998 > 73 76 F 0.41714096287889 0.67143470766256 0.82874067279474 18.998 > 73 77 F 0.08285903712111 0.32856529233744 0.07874067279473 18.998 > 77 78 F 0.08285903712111 0.82856529233744 0.07874067279473 18.998 > 77 79 F 0.08285903712111 0.32856529233744 0.57874067279473 18.998 > 77 80 F 0.08285903712111 0.82856529233744 0.57874067279473 18.998 > 77 81 F 0.41714096287889 0.07856529233744 0.07874067279473 18.998 > 81 82 F 0.41714096287889 0.57856529233744 0.07874067279473 18.998 > 81 83 F 0.41714096287889 0.07856529233744 0.57874067279473 18.998 > 81 84 F 0.41714096287889 0.57856529233744 0.57874067279473 18.998 > 81 85 F 0.08285903712111 0.42143470766256 0.32874067279474 18.998 > 85 86 F 0.08285903712111 0.92143470766256 0.32874067279474 18.998 > 85 87 F 0.08285903712111 0.42143470766256 0.82874067279474 18.998 > 85 88 F 0.08285903712111 0.92143470766256 0.82874067279474 18.998 > 85 89 F 0.08285903712111 0.07856529233744 0.17125932720526 18.998 > 89 90 F 0.08285903712111 0.57856529233744 0.17125932720526 18.998 > 89 91 F 0.08285903712111 0.07856529233744 0.67125932720526 18.998 > 89 92 F 0.08285903712111 0.57856529233744 0.67125932720526 18.998 > 89 93 F 0.41714096287889 0.42143470766256 0.42125932720526 18.998 > 93 94 F 0.41714096287889 0.92143470766256 0.42125932720526 18.998 > 93 95 F 0.41714096287889 0.42143470766256 0.92125932720526 18.998 > 93 96 F 0.41714096287889 0.92143470766256 0.92125932720526 18.998 > 93 97 F 0.75000000000000 0.12192568069201 0.37500000000000 18.998 > 49 98 F 0.75000000000000 0.62192568069201 0.37500000000000 18.998 > 49 99 F 0.75000000000000 0.12192568069201 0.87500000000000 18.998 > 49 100 F 0.75000000000000 0.62192568069201 0.87500000000000 18.998 > 49 101 F 0.75000000000000 0.37807431930799 0.12500000000000 18.998 > 53 102 F 0.75000000000000 0.87807431930799 0.12500000000000 18.998 > 53 103 F 0.75000000000000 0.37807431930799 0.62500000000000 18.998 > 53 104 F 0.75000000000000 0.87807431930799 0.62500000000000 18.998 > 53 105 F 0.75000000000000 0.12807431930799 0.12500000000000 18.998 > 57 106 F 0.75000000000000 0.62807431930799 0.12500000000000 18.998 > 57 107 F 0.75000000000000 0.12807431930799 0.62500000000000 18.998 > 57 108 F 0.75000000000000 0.62807431930799 0.62500000000000 18.998 > 57 109 F 0.75000000000000 0.37192568069201 0.37500000000000 18.998 > 61 110 F 0.75000000000000 0.87192568069201 0.37500000000000 18.998 > 61 111 F 0.75000000000000 0.37192568069201 0.87500000000000 18.998 > 61 112 F 0.75000000000000 0.87192568069201 0.87500000000000 18.998 > 61 113 F 0.58285903712111 0.42143470766256 0.42125932720526 18.998 > 65 114 F 0.58285903712111 0.92143470766256 0.42125932720526 18.998 > 65 115 F 0.58285903712111 0.42143470766256 0.92125932720526 18.998 > 65 116 F 0.58285903712111 0.92143470766256 0.92125932720526 18.998 > 65 117 F 0.91714096287889 0.07856529233744 0.17125932720526 18.998 > 69 118 F 0.91714096287889 0.57856529233744 0.17125932720526 18.998 > 69 119 F 0.91714096287889 0.07856529233744 0.67125932720526 18.998 > 69 120 F 0.91714096287889 0.57856529233744 0.67125932720526 18.998 > 69 121 F 0.91714096287889 0.42143470766256 0.32874067279474 18.998 > 73 122 F 0.91714096287889 0.92143470766256 0.32874067279474 18.998 > 73 123 F 0.91714096287889 0.42143470766256 0.82874067279474 18.998 > 73 124 F 0.91714096287889 0.92143470766256 0.82874067279474 18.998 > 73 125 F 0.58285903712111 0.07856529233744 0.07874067279473 18.998 > 77 126 F 0.58285903712111 0.57856529233744 0.07874067279473 18.998 > 77 127 F 0.58285903712111 0.07856529233744 0.57874067279473 18.998 > 77 128 F 0.58285903712111 0.57856529233744 0.57874067279473 18.998 > 77 129 F 0.91714096287889 0.32856529233744 0.07874067279473 18.998 > 81 130 F 0.91714096287889 0.82856529233744 0.07874067279473 18.998 > 81 131 F 0.91714096287889 0.32856529233744 0.57874067279473 18.998 > 81 132 F 0.91714096287889 0.82856529233744 0.57874067279473 18.998 > 81 133 F 0.58285903712111 0.17143470766256 0.32874067279474 18.998 > 85 134 F 0.58285903712111 0.67143470766256 0.32874067279474 18.998 > 85 135 F 0.58285903712111 0.17143470766256 0.82874067279474 18.998 > 85 136 F 0.58285903712111 0.67143470766256 0.82874067279474 18.998 > 85 137 F 0.58285903712111 0.32856529233744 0.17125932720526 18.998 > 89 138 F 0.58285903712111 0.82856529233744 0.17125932720526 18.998 > 89 139 F 0.58285903712111 0.32856529233744 0.67125932720526 18.998 > 89 140 F 0.58285903712111 0.82856529233744 0.67125932720526 18.998 > 89 141 F 0.91714096287889 0.17143470766256 0.42125932720526 18.998 > 93 142 F 0.91714096287889 0.67143470766256 0.42125932720526 18.998 > 93 143 F 0.91714096287889 0.17143470766256 0.92125932720526 18.998 > 93 144 F 0.91714096287889 0.67143470766256 0.92125932720526 18.998 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6798430 0.0000000 0.0000000 0.0000000 2.5935978 0.0000000 0.0000000 0.0000000 2.5953501 -------------------------- Born effective charges -------------------------- 1 Ba 2.6963541 0.0000000 0.0000000 0.0000000 2.7285813 -0.1561445 0.0000000 0.1028910 2.7325223 2 Ba 2.6963541 0.0000000 0.0000000 0.0000000 2.7285813 0.1561445 0.0000000 -0.1028910 2.7325223 3 Ba 2.6963541 0.0000000 0.0000000 0.0000000 2.7285813 -0.1561445 0.0000000 0.1028910 2.7325223 4 Ba 2.6963541 0.0000000 0.0000000 0.0000000 2.7285813 0.1561445 0.0000000 -0.1028910 2.7325223 5 Pd 2.1442614 0.0000000 0.0000000 0.0000000 1.2345172 0.9540459 0.0000000 0.9555254 1.2378976 6 Pd 2.1442614 0.0000000 0.0000000 0.0000000 1.2345172 -0.9540459 0.0000000 -0.9555254 1.2378976 7 F -1.4292520 0.0000000 -0.0423052 0.0000000 -1.3076333 0.0000000 -0.0616617 0.0000000 -1.3055305 8 F -1.4292520 0.0000000 0.0423052 0.0000000 -1.3076333 0.0000000 0.0616617 0.0000000 -1.3055305 9 F -1.4292520 0.0000000 -0.0423052 0.0000000 -1.3076333 0.0000000 -0.0616617 0.0000000 -1.3055305 10 F -1.4292520 0.0000000 0.0423052 0.0000000 -1.3076333 0.0000000 0.0616617 0.0000000 -1.3055305 11 F -1.1696164 0.4323804 0.4362208 0.4521040 -1.0191033 -0.1266823 0.4559045 -0.1255746 -1.0229703 12 F -1.1696164 0.4323804 -0.4362208 0.4521040 -1.0191033 0.1266823 -0.4559045 0.1255746 -1.0229703 13 F -1.1696164 -0.4323804 0.4362208 -0.4521040 -1.0191033 0.1266823 0.4559045 0.1255746 -1.0229703 14 F -1.1696164 -0.4323804 -0.4362208 -0.4521040 -1.0191033 -0.1266823 -0.4559045 -0.1255746 -1.0229703 15 F -1.1696164 0.4323804 0.4362208 0.4521040 -1.0191033 -0.1266823 0.4559045 -0.1255746 -1.0229703 16 F -1.1696164 0.4323804 -0.4362208 0.4521040 -1.0191033 0.1266823 -0.4559045 0.1255746 -1.0229703 17 F -1.1696164 -0.4323804 0.4362208 -0.4521040 -1.0191033 0.1266823 0.4559045 0.1255746 -1.0229703 18 F -1.1696164 -0.4323804 -0.4362208 -0.4521040 -1.0191033 -0.1266823 -0.4559045 -0.1255746 -1.0229703 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 08:22:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 08:22:52]------------------------- 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: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.490911920000000 -3.098189495000001 0.000000000000000 b 8.490911920000000 3.098189495000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.189056260000002 Atomic positions (fractional): 1 Ba 0.16028723753309 0.16028723753309 0.00000000000000 137.327 2 Ba 0.33971276246691 0.33971276246691 0.50000000000000 137.327 3 Ba 0.83971276246691 0.83971276246691 0.00000000000000 137.327 4 Ba 0.66028723753309 0.66028723753309 0.50000000000000 137.327 5 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 6 Pd 0.00000000000000 0.00000000000000 0.50000000000000 106.420 7 F 0.50614863861598 0.99385136138402 0.75000000000000 18.998 8 F 0.99385136138402 0.50614863861598 0.25000000000000 18.998 9 F 0.49385136138402 0.00614863861598 0.25000000000000 18.998 10 F 0.00614863861598 0.49385136138402 0.75000000000000 18.998 11 F 0.73998962179599 0.42572845244623 0.84251865441053 18.998 12 F 0.76001037820401 0.07427154755377 0.34251865441053 18.998 13 F 0.07427154755377 0.76001037820401 0.65748134558947 18.998 14 F 0.42572845244623 0.73998962179599 0.15748134558947 18.998 15 F 0.26001037820401 0.57427154755377 0.15748134558947 18.998 16 F 0.23998962179599 0.92572845244623 0.65748134558947 18.998 17 F 0.92572845244623 0.23998962179599 0.34251865441053 18.998 18 F 0.57427154755377 0.26001037820401 0.84251865441053 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.981823840000001 0.000000000000000 0.000000000000000 b 0.000000000000000 12.392757980000004 0.000000000000000 c 0.000000000000000 0.000000000000000 12.378112520000004 Atomic positions (fractional): 1 Ba 0.16028723753309 0.00000000000000 0.00000000000000 137.327 > 1 2 Ba 0.16028723753309 0.50000000000000 0.00000000000000 137.327 > 1 3 Ba 0.16028723753309 0.00000000000000 0.50000000000000 137.327 > 1 4 Ba 0.16028723753309 0.50000000000000 0.50000000000000 137.327 > 1 5 Ba 0.33971276246691 0.00000000000000 0.25000000000000 137.327 > 5 6 Ba 0.33971276246691 0.50000000000000 0.25000000000000 137.327 > 5 7 Ba 0.33971276246691 0.00000000000000 0.75000000000000 137.327 > 5 8 Ba 0.33971276246691 0.50000000000000 0.75000000000000 137.327 > 5 9 Ba 0.33971276246691 0.25000000000000 0.00000000000000 137.327 > 9 10 Ba 0.33971276246691 0.75000000000000 0.00000000000000 137.327 > 9 11 Ba 0.33971276246691 0.25000000000000 0.50000000000000 137.327 > 9 12 Ba 0.33971276246691 0.75000000000000 0.50000000000000 137.327 > 9 13 Ba 0.16028723753309 0.25000000000000 0.25000000000000 137.327 > 13 14 Ba 0.16028723753309 0.75000000000000 0.25000000000000 137.327 > 13 15 Ba 0.16028723753309 0.25000000000000 0.75000000000000 137.327 > 13 16 Ba 0.16028723753309 0.75000000000000 0.75000000000000 137.327 > 13 17 Ba 0.66028723753309 0.25000000000000 0.00000000000000 137.327 > 1 18 Ba 0.66028723753309 0.75000000000000 0.00000000000000 137.327 > 1 19 Ba 0.66028723753309 0.25000000000000 0.50000000000000 137.327 > 1 20 Ba 0.66028723753309 0.75000000000000 0.50000000000000 137.327 > 1 21 Ba 0.83971276246691 0.25000000000000 0.25000000000000 137.327 > 5 22 Ba 0.83971276246691 0.75000000000000 0.25000000000000 137.327 > 5 23 Ba 0.83971276246691 0.25000000000000 0.75000000000000 137.327 > 5 24 Ba 0.83971276246691 0.75000000000000 0.75000000000000 137.327 > 5 25 Ba 0.83971276246691 0.00000000000000 0.00000000000000 137.327 > 9 26 Ba 0.83971276246691 0.50000000000000 0.00000000000000 137.327 > 9 27 Ba 0.83971276246691 0.00000000000000 0.50000000000000 137.327 > 9 28 Ba 0.83971276246691 0.50000000000000 0.50000000000000 137.327 > 9 29 Ba 0.66028723753309 0.00000000000000 0.25000000000000 137.327 > 13 30 Ba 0.66028723753309 0.50000000000000 0.25000000000000 137.327 > 13 31 Ba 0.66028723753309 0.00000000000000 0.75000000000000 137.327 > 13 32 Ba 0.66028723753309 0.50000000000000 0.75000000000000 137.327 > 13 33 Pd 0.00000000000000 0.25000000000000 0.00000000000000 106.420 > 33 34 Pd 0.00000000000000 0.75000000000000 0.00000000000000 106.420 > 33 35 Pd 0.00000000000000 0.25000000000000 0.50000000000000 106.420 > 33 36 Pd 0.00000000000000 0.75000000000000 0.50000000000000 106.420 > 33 37 Pd 0.00000000000000 0.00000000000000 0.25000000000000 106.420 > 37 38 Pd 0.00000000000000 0.50000000000000 0.25000000000000 106.420 > 37 39 Pd 0.00000000000000 0.00000000000000 0.75000000000000 106.420 > 37 40 Pd 0.00000000000000 0.50000000000000 0.75000000000000 106.420 > 37 41 Pd 0.50000000000000 0.00000000000000 0.00000000000000 106.420 > 33 42 Pd 0.50000000000000 0.50000000000000 0.00000000000000 106.420 > 33 43 Pd 0.50000000000000 0.00000000000000 0.50000000000000 106.420 > 33 44 Pd 0.50000000000000 0.50000000000000 0.50000000000000 106.420 > 33 45 Pd 0.50000000000000 0.25000000000000 0.25000000000000 106.420 > 37 46 Pd 0.50000000000000 0.75000000000000 0.25000000000000 106.420 > 37 47 Pd 0.50000000000000 0.25000000000000 0.75000000000000 106.420 > 37 48 Pd 0.50000000000000 0.75000000000000 0.75000000000000 106.420 > 37 49 F 0.25000000000000 0.37192568069201 0.37500000000000 18.998 > 49 50 F 0.25000000000000 0.87192568069201 0.37500000000000 18.998 > 49 51 F 0.25000000000000 0.37192568069201 0.87500000000000 18.998 > 49 52 F 0.25000000000000 0.87192568069201 0.87500000000000 18.998 > 49 53 F 0.25000000000000 0.12807431930799 0.12500000000000 18.998 > 53 54 F 0.25000000000000 0.62807431930799 0.12500000000000 18.998 > 53 55 F 0.25000000000000 0.12807431930799 0.62500000000000 18.998 > 53 56 F 0.25000000000000 0.62807431930799 0.62500000000000 18.998 > 53 57 F 0.25000000000000 0.37807431930799 0.12500000000000 18.998 > 57 58 F 0.25000000000000 0.87807431930799 0.12500000000000 18.998 > 57 59 F 0.25000000000000 0.37807431930799 0.62500000000000 18.998 > 57 60 F 0.25000000000000 0.87807431930799 0.62500000000000 18.998 > 57 61 F 0.25000000000000 0.12192568069201 0.37500000000000 18.998 > 61 62 F 0.25000000000000 0.62192568069201 0.37500000000000 18.998 > 61 63 F 0.25000000000000 0.12192568069201 0.87500000000000 18.998 > 61 64 F 0.25000000000000 0.62192568069201 0.87500000000000 18.998 > 61 65 F 0.08285903712111 0.17143470766256 0.42125932720526 18.998 > 65 66 F 0.08285903712111 0.67143470766256 0.42125932720526 18.998 > 65 67 F 0.08285903712111 0.17143470766256 0.92125932720526 18.998 > 65 68 F 0.08285903712111 0.67143470766256 0.92125932720526 18.998 > 65 69 F 0.41714096287889 0.32856529233744 0.17125932720526 18.998 > 69 70 F 0.41714096287889 0.82856529233744 0.17125932720526 18.998 > 69 71 F 0.41714096287889 0.32856529233744 0.67125932720526 18.998 > 69 72 F 0.41714096287889 0.82856529233744 0.67125932720526 18.998 > 69 73 F 0.41714096287889 0.17143470766256 0.32874067279474 18.998 > 73 74 F 0.41714096287889 0.67143470766256 0.32874067279474 18.998 > 73 75 F 0.41714096287889 0.17143470766256 0.82874067279474 18.998 > 73 76 F 0.41714096287889 0.67143470766256 0.82874067279474 18.998 > 73 77 F 0.08285903712111 0.32856529233744 0.07874067279473 18.998 > 77 78 F 0.08285903712111 0.82856529233744 0.07874067279473 18.998 > 77 79 F 0.08285903712111 0.32856529233744 0.57874067279473 18.998 > 77 80 F 0.08285903712111 0.82856529233744 0.57874067279473 18.998 > 77 81 F 0.41714096287889 0.07856529233744 0.07874067279473 18.998 > 81 82 F 0.41714096287889 0.57856529233744 0.07874067279473 18.998 > 81 83 F 0.41714096287889 0.07856529233744 0.57874067279473 18.998 > 81 84 F 0.41714096287889 0.57856529233744 0.57874067279473 18.998 > 81 85 F 0.08285903712111 0.42143470766256 0.32874067279474 18.998 > 85 86 F 0.08285903712111 0.92143470766256 0.32874067279474 18.998 > 85 87 F 0.08285903712111 0.42143470766256 0.82874067279474 18.998 > 85 88 F 0.08285903712111 0.92143470766256 0.82874067279474 18.998 > 85 89 F 0.08285903712111 0.07856529233744 0.17125932720526 18.998 > 89 90 F 0.08285903712111 0.57856529233744 0.17125932720526 18.998 > 89 91 F 0.08285903712111 0.07856529233744 0.67125932720526 18.998 > 89 92 F 0.08285903712111 0.57856529233744 0.67125932720526 18.998 > 89 93 F 0.41714096287889 0.42143470766256 0.42125932720526 18.998 > 93 94 F 0.41714096287889 0.92143470766256 0.42125932720526 18.998 > 93 95 F 0.41714096287889 0.42143470766256 0.92125932720526 18.998 > 93 96 F 0.41714096287889 0.92143470766256 0.92125932720526 18.998 > 93 97 F 0.75000000000000 0.12192568069201 0.37500000000000 18.998 > 49 98 F 0.75000000000000 0.62192568069201 0.37500000000000 18.998 > 49 99 F 0.75000000000000 0.12192568069201 0.87500000000000 18.998 > 49 100 F 0.75000000000000 0.62192568069201 0.87500000000000 18.998 > 49 101 F 0.75000000000000 0.37807431930799 0.12500000000000 18.998 > 53 102 F 0.75000000000000 0.87807431930799 0.12500000000000 18.998 > 53 103 F 0.75000000000000 0.37807431930799 0.62500000000000 18.998 > 53 104 F 0.75000000000000 0.87807431930799 0.62500000000000 18.998 > 53 105 F 0.75000000000000 0.12807431930799 0.12500000000000 18.998 > 57 106 F 0.75000000000000 0.62807431930799 0.12500000000000 18.998 > 57 107 F 0.75000000000000 0.12807431930799 0.62500000000000 18.998 > 57 108 F 0.75000000000000 0.62807431930799 0.62500000000000 18.998 > 57 109 F 0.75000000000000 0.37192568069201 0.37500000000000 18.998 > 61 110 F 0.75000000000000 0.87192568069201 0.37500000000000 18.998 > 61 111 F 0.75000000000000 0.37192568069201 0.87500000000000 18.998 > 61 112 F 0.75000000000000 0.87192568069201 0.87500000000000 18.998 > 61 113 F 0.58285903712111 0.42143470766256 0.42125932720526 18.998 > 65 114 F 0.58285903712111 0.92143470766256 0.42125932720526 18.998 > 65 115 F 0.58285903712111 0.42143470766256 0.92125932720526 18.998 > 65 116 F 0.58285903712111 0.92143470766256 0.92125932720526 18.998 > 65 117 F 0.91714096287889 0.07856529233744 0.17125932720526 18.998 > 69 118 F 0.91714096287889 0.57856529233744 0.17125932720526 18.998 > 69 119 F 0.91714096287889 0.07856529233744 0.67125932720526 18.998 > 69 120 F 0.91714096287889 0.57856529233744 0.67125932720526 18.998 > 69 121 F 0.91714096287889 0.42143470766256 0.32874067279474 18.998 > 73 122 F 0.91714096287889 0.92143470766256 0.32874067279474 18.998 > 73 123 F 0.91714096287889 0.42143470766256 0.82874067279474 18.998 > 73 124 F 0.91714096287889 0.92143470766256 0.82874067279474 18.998 > 73 125 F 0.58285903712111 0.07856529233744 0.07874067279473 18.998 > 77 126 F 0.58285903712111 0.57856529233744 0.07874067279473 18.998 > 77 127 F 0.58285903712111 0.07856529233744 0.57874067279473 18.998 > 77 128 F 0.58285903712111 0.57856529233744 0.57874067279473 18.998 > 77 129 F 0.91714096287889 0.32856529233744 0.07874067279473 18.998 > 81 130 F 0.91714096287889 0.82856529233744 0.07874067279473 18.998 > 81 131 F 0.91714096287889 0.32856529233744 0.57874067279473 18.998 > 81 132 F 0.91714096287889 0.82856529233744 0.57874067279473 18.998 > 81 133 F 0.58285903712111 0.17143470766256 0.32874067279474 18.998 > 85 134 F 0.58285903712111 0.67143470766256 0.32874067279474 18.998 > 85 135 F 0.58285903712111 0.17143470766256 0.82874067279474 18.998 > 85 136 F 0.58285903712111 0.67143470766256 0.82874067279474 18.998 > 85 137 F 0.58285903712111 0.32856529233744 0.17125932720526 18.998 > 89 138 F 0.58285903712111 0.82856529233744 0.17125932720526 18.998 > 89 139 F 0.58285903712111 0.32856529233744 0.67125932720526 18.998 > 89 140 F 0.58285903712111 0.82856529233744 0.67125932720526 18.998 > 89 141 F 0.91714096287889 0.17143470766256 0.42125932720526 18.998 > 93 142 F 0.91714096287889 0.67143470766256 0.42125932720526 18.998 > 93 143 F 0.91714096287889 0.17143470766256 0.92125932720526 18.998 > 93 144 F 0.91714096287889 0.67143470766256 0.92125932720526 18.998 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6798430 0.0000000 0.0000000 0.0000000 2.5935978 0.0000000 0.0000000 0.0000000 2.5953501 -------------------------- Born effective charges -------------------------- 1 Ba 2.6963541 0.0000000 0.0000000 0.0000000 2.7285813 -0.1561445 0.0000000 0.1028910 2.7325223 2 Ba 2.6963541 0.0000000 0.0000000 0.0000000 2.7285813 0.1561445 0.0000000 -0.1028910 2.7325223 3 Ba 2.6963541 0.0000000 0.0000000 0.0000000 2.7285813 -0.1561445 0.0000000 0.1028910 2.7325223 4 Ba 2.6963541 0.0000000 0.0000000 0.0000000 2.7285813 0.1561445 0.0000000 -0.1028910 2.7325223 5 Pd 2.1442614 0.0000000 0.0000000 0.0000000 1.2345172 0.9540459 0.0000000 0.9555254 1.2378976 6 Pd 2.1442614 0.0000000 0.0000000 0.0000000 1.2345172 -0.9540459 0.0000000 -0.9555254 1.2378976 7 F -1.4292520 0.0000000 -0.0423052 0.0000000 -1.3076333 0.0000000 -0.0616617 0.0000000 -1.3055305 8 F -1.4292520 0.0000000 0.0423052 0.0000000 -1.3076333 0.0000000 0.0616617 0.0000000 -1.3055305 9 F -1.4292520 0.0000000 -0.0423052 0.0000000 -1.3076333 0.0000000 -0.0616617 0.0000000 -1.3055305 10 F -1.4292520 0.0000000 0.0423052 0.0000000 -1.3076333 0.0000000 0.0616617 0.0000000 -1.3055305 11 F -1.1696164 0.4323804 0.4362208 0.4521040 -1.0191033 -0.1266823 0.4559045 -0.1255746 -1.0229703 12 F -1.1696164 0.4323804 -0.4362208 0.4521040 -1.0191033 0.1266823 -0.4559045 0.1255746 -1.0229703 13 F -1.1696164 -0.4323804 0.4362208 -0.4521040 -1.0191033 0.1266823 0.4559045 0.1255746 -1.0229703 14 F -1.1696164 -0.4323804 -0.4362208 -0.4521040 -1.0191033 -0.1266823 -0.4559045 -0.1255746 -1.0229703 15 F -1.1696164 0.4323804 0.4362208 0.4521040 -1.0191033 -0.1266823 0.4559045 -0.1255746 -1.0229703 16 F -1.1696164 0.4323804 -0.4362208 0.4521040 -1.0191033 0.1266823 -0.4559045 0.1255746 -1.0229703 17 F -1.1696164 -0.4323804 0.4362208 -0.4521040 -1.0191033 0.1266823 0.4559045 0.1255746 -1.0229703 18 F -1.1696164 -0.4323804 -0.4362208 -0.4521040 -1.0191033 -0.1266823 -0.4559045 -0.1255746 -1.0229703 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) 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 8 ] 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: 0.60, Number of G-points: 315, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 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 1.371 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.298 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 5.049 ( 0.000 0.000 0.000) 0.000 5.345 ( 0.000 0.000 0.000) 0.000 5.378 ( 0.000 0.000 0.000) 0.000 5.752 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.036 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.592 ( 0.000 0.000 0.000) 0.000 6.621 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 7.254 ( 0.000 0.000 0.000) 0.000 7.256 ( 0.000 0.000 0.000) 0.000 7.468 ( 0.000 0.000 0.000) 0.000 7.830 ( 0.000 0.000 0.000) 0.000 7.830 ( 0.000 0.000 0.000) 0.000 8.052 ( 0.000 0.000 0.000) 0.000 8.834 ( 0.000 0.000 0.000) 0.000 8.954 ( 0.000 0.000 0.000) 0.000 13.347 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 15.174 ( 0.000 0.000 0.000) 0.000 15.193 ( 0.000 0.000 0.000) 0.000 15.202 ( 0.000 0.000 0.000) 0.000 15.205 ( 0.000 0.000 0.000) 0.000 15.301 ( 0.000 0.000 0.000) 0.000 15.975 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( 8.052 -15.652 0.000) 17.602 0.411 ( 4.996 -20.915 0.000) 21.503 0.739 ( 13.844 -35.073 0.000) 37.706 1.403 ( 1.711 -2.839 0.000) 3.315 1.515 ( -0.901 -0.216 0.000) 0.927 1.936 ( -3.038 -4.633 0.000) 5.540 2.123 ( -10.614 -2.004 0.000) 10.801 2.222 ( -0.377 -0.977 0.000) 1.047 2.272 ( -1.836 0.714 0.000) 1.970 2.292 ( 0.360 6.249 0.000) 6.260 2.421 ( 0.453 -8.152 0.000) 8.164 2.869 ( -1.700 -1.323 0.000) 2.154 3.066 ( 3.149 -2.200 0.000) 3.842 3.205 ( -5.729 3.815 0.000) 6.883 3.263 ( 2.545 4.718 0.000) 5.361 3.524 ( -0.923 -1.232 0.000) 1.540 3.583 ( 11.979 6.536 0.000) 13.646 4.003 ( 6.845 3.319 0.000) 7.607 4.192 ( 0.285 4.963 0.000) 4.971 4.236 ( -0.300 3.528 0.000) 3.541 5.030 ( -2.587 -5.651 0.000) 6.215 5.088 ( 4.009 -3.656 0.000) 5.426 5.343 ( 0.171 0.321 0.000) 0.364 5.418 ( -0.491 -4.877 0.000) 4.902 5.780 ( 0.696 2.152 0.000) 2.262 5.797 ( 0.008 1.628 0.000) 1.628 5.816 ( -0.240 0.596 0.000) 0.642 5.975 ( -0.430 1.030 0.000) 1.116 5.979 ( -0.907 5.215 0.000) 5.293 6.155 ( -1.357 -0.132 0.000) 1.364 6.258 ( 0.794 4.256 0.000) 4.330 6.470 ( -1.427 -6.440 0.000) 6.597 6.597 ( -2.419 -2.849 0.000) 3.737 6.624 ( -0.040 -3.467 0.000) 3.468 6.805 ( 1.379 0.479 0.000) 1.460 6.932 ( -20.104 -9.447 0.000) 22.213 6.974 ( -7.090 -9.932 0.000) 12.203 6.985 ( -1.416 -1.896 0.000) 2.366 7.208 ( 0.207 5.133 0.000) 5.137 7.244 ( 0.818 1.645 0.000) 1.837 7.485 ( 0.466 -1.648 0.000) 1.713 7.797 ( 0.278 3.450 0.000) 3.461 7.963 ( -15.245 -3.994 0.000) 15.760 8.819 ( -1.489 1.044 0.000) 1.819 8.936 ( 1.031 2.623 0.000) 2.818 9.162 ( 34.246 16.199 0.000) 37.884 13.358 ( 0.114 -1.228 0.000) 1.234 13.373 ( 0.668 -1.781 0.000) 1.903 15.141 ( -0.004 2.470 0.000) 2.470 15.179 ( -0.002 -0.652 0.000) 0.652 15.275 ( -2.652 1.679 0.000) 3.138 15.277 ( -0.010 -5.009 0.000) 5.009 15.674 ( -31.300 -11.349 0.000) 33.294 16.235 ( 43.707 21.582 0.000) 48.745 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.659 ( 7.964 -13.764 0.000) 15.902 0.811 ( 5.346 -19.661 0.000) 20.375 1.382 ( 4.775 -22.576 0.000) 23.075 1.513 ( -1.916 -0.309 0.000) 1.941 1.518 ( 8.124 -12.162 0.000) 14.626 1.995 ( -3.938 -0.778 0.000) 4.014 2.087 ( -10.102 -2.097 0.000) 10.317 2.131 ( -1.088 4.182 0.000) 4.321 2.235 ( -2.003 -1.639 0.000) 2.588 2.278 ( -0.838 0.811 0.000) 1.167 2.605 ( -1.028 -11.313 0.000) 11.360 2.905 ( -4.322 -5.647 0.000) 7.111 3.054 ( -1.604 10.048 0.000) 10.175 3.157 ( 6.833 -4.390 0.000) 8.122 3.172 ( 5.406 7.836 0.000) 9.520 3.538 ( -0.768 -0.660 0.000) 1.013 3.545 ( -3.789 0.323 0.000) 3.803 3.954 ( 7.924 7.984 0.000) 11.249 4.058 ( -0.950 9.871 0.000) 9.917 4.143 ( -1.355 6.224 0.000) 6.370 5.102 ( -2.784 -4.897 0.000) 5.633 5.249 ( 4.814 -9.541 0.000) 10.687 5.337 ( 0.471 0.470 0.000) 0.665 5.559 ( -0.532 -11.406 0.000) 11.418 5.734 ( 1.161 3.366 0.000) 3.560 5.766 ( 1.245 1.968 0.000) 2.329 5.800 ( -1.028 0.660 0.000) 1.222 5.870 ( -0.871 5.563 0.000) 5.631 5.947 ( -0.066 1.925 0.000) 1.926 6.147 ( -1.928 -0.169 0.000) 1.936 6.202 ( 1.604 2.975 0.000) 3.379 6.566 ( -3.187 -5.752 0.000) 6.576 6.627 ( -0.866 -2.011 0.000) 2.189 6.694 ( 0.966 -3.223 0.000) 3.364 6.798 ( 1.432 1.431 0.000) 2.025 6.960 ( -8.195 -4.589 0.000) 9.392 7.013 ( -3.073 -1.025 0.000) 3.240 7.083 ( 0.947 7.450 0.000) 7.510 7.176 ( 1.258 -12.884 0.000) 12.945 7.219 ( 3.546 2.277 0.000) 4.214 7.521 ( 1.019 -1.292 0.000) 1.646 7.726 ( 0.906 4.435 0.000) 4.527 7.938 ( -8.634 -2.756 0.000) 9.063 8.781 ( -1.318 1.977 0.000) 2.376 8.864 ( 0.390 6.148 0.000) 6.160 9.067 ( 8.800 9.860 0.000) 13.216 13.393 ( 0.396 -2.443 0.000) 2.475 13.421 ( 1.246 -2.704 0.000) 2.978 15.107 ( 0.003 1.302 0.000) 1.302 15.202 ( -0.198 -2.150 0.000) 2.159 15.217 ( -3.058 2.373 0.000) 3.871 15.374 ( 0.044 -5.595 0.000) 5.595 15.663 ( -9.709 -2.210 0.000) 9.957 16.091 ( 17.629 16.584 0.000) 24.203 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 7.856 -11.023 0.000) 13.536 1.174 ( 4.830 -16.419 0.000) 17.115 1.488 ( -3.939 1.218 0.000) 4.123 1.555 ( -0.123 -5.777 0.000) 5.779 1.848 ( -0.581 -5.652 0.000) 5.682 1.865 ( 3.158 9.177 0.000) 9.706 2.102 ( -12.494 -6.719 0.000) 14.186 2.195 ( -4.079 -5.679 0.000) 6.992 2.237 ( 1.102 0.962 0.000) 1.462 2.340 ( 6.250 -13.885 0.000) 15.227 2.763 ( -7.691 -8.905 0.000) 11.766 2.843 ( 1.123 12.508 0.000) 12.559 3.039 ( -4.700 -12.229 0.000) 13.102 3.072 ( 9.426 8.141 0.000) 12.455 3.315 ( 9.090 -7.239 0.000) 11.621 3.527 ( -5.426 -1.769 0.000) 5.707 3.532 ( 0.935 1.457 0.000) 1.732 3.819 ( 6.021 11.808 0.000) 13.255 3.832 ( -3.370 13.158 0.000) 13.583 3.992 ( -4.222 8.606 0.000) 9.585 5.177 ( -1.701 -4.938 0.000) 5.223 5.330 ( 0.636 0.899 0.000) 1.101 5.457 ( 4.259 -10.020 0.000) 10.888 5.684 ( 1.862 3.052 0.000) 3.576 5.716 ( 0.127 0.858 0.000) 0.867 5.778 ( 1.968 2.182 0.000) 2.939 5.781 ( -2.506 0.135 0.000) 2.510 5.851 ( -0.422 -14.841 0.000) 14.847 5.901 ( 0.235 3.493 0.000) 3.501 6.138 ( -2.004 -0.320 0.000) 2.029 6.165 ( 1.478 2.502 0.000) 2.906 6.631 ( -3.674 -3.845 0.000) 5.318 6.660 ( -0.763 -2.304 0.000) 2.427 6.744 ( 1.088 -1.416 0.000) 1.786 6.766 ( 1.373 3.877 0.000) 4.113 6.855 ( -0.788 11.438 0.000) 11.465 6.990 ( -6.638 -4.197 0.000) 7.854 7.069 ( -2.492 -1.289 0.000) 2.806 7.233 ( 7.113 -0.450 0.000) 7.127 7.391 ( 5.336 -6.387 0.000) 8.323 7.530 ( 1.579 0.617 0.000) 1.695 7.663 ( 0.867 3.097 0.000) 3.216 7.992 ( -5.382 -9.420 0.000) 10.849 8.702 ( -1.912 9.314 0.000) 9.508 8.753 ( 1.500 2.932 0.000) 3.294 8.936 ( -1.643 7.016 0.000) 7.206 13.447 ( 0.496 -2.954 0.000) 2.996 13.477 ( 1.411 -2.165 0.000) 2.584 15.093 ( 0.097 0.361 0.000) 0.374 15.159 ( -2.176 2.097 0.000) 3.022 15.261 ( -0.868 -5.040 0.000) 5.114 15.475 ( 0.464 -5.484 0.000) 5.503 15.620 ( -1.267 3.217 0.000) 3.458 15.888 ( 5.959 13.932 0.000) 15.153 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 7.464 -8.271 0.000) 11.141 1.321 ( -6.132 3.511 0.000) 7.066 1.528 ( 4.001 -9.202 0.000) 10.034 1.632 ( -0.849 -1.764 0.000) 1.958 1.776 ( 5.688 4.167 0.000) 7.051 1.805 ( -6.463 2.970 0.000) 7.113 2.103 ( -13.604 -4.783 0.000) 14.421 2.137 ( 7.864 6.839 0.000) 10.422 2.373 ( -3.860 -11.332 0.000) 11.971 2.551 ( 1.183 7.430 0.000) 7.524 2.779 ( 11.702 -6.654 0.000) 13.461 2.836 ( -11.981 -6.574 0.000) 13.666 3.043 ( 12.322 0.148 0.000) 12.323 3.186 ( -7.936 -2.721 0.000) 8.390 3.475 ( 0.435 -2.053 0.000) 2.098 3.535 ( -1.651 -1.371 0.000) 2.146 3.546 ( 5.935 -6.698 0.000) 8.949 3.616 ( 1.350 5.875 0.000) 6.028 3.628 ( 2.549 11.620 0.000) 11.896 3.783 ( -8.001 9.825 0.000) 12.671 5.251 ( -0.837 -4.106 0.000) 4.191 5.306 ( 0.541 2.376 0.000) 2.437 5.653 ( 2.897 -8.595 0.000) 9.070 5.659 ( 2.198 1.019 0.000) 2.422 5.678 ( -1.452 1.253 0.000) 1.917 5.762 ( 3.553 1.148 0.000) 3.734 5.763 ( -3.447 -0.040 0.000) 3.448 5.815 ( -1.086 5.891 0.000) 5.991 6.114 ( -1.636 -3.548 0.000) 3.907 6.134 ( 1.236 1.719 0.000) 2.117 6.198 ( 0.247 -16.289 0.000) 16.291 6.519 ( -1.018 16.016 0.000) 16.048 6.699 ( -0.291 -2.386 0.000) 2.403 6.714 ( -0.309 -1.721 0.000) 1.748 6.750 ( 0.082 2.424 0.000) 2.425 6.753 ( 0.251 0.937 0.000) 0.971 7.023 ( -3.749 -3.256 0.000) 4.965 7.055 ( 0.043 1.556 0.000) 1.557 7.314 ( 5.376 -3.293 0.000) 6.304 7.404 ( -1.794 3.593 0.000) 4.016 7.579 ( 3.986 -2.210 0.000) 4.558 7.624 ( -0.928 1.497 0.000) 1.761 8.201 ( -0.184 -14.685 0.000) 14.686 8.472 ( -2.273 13.870 0.000) 14.055 8.748 ( 4.280 -0.023 0.000) 4.280 8.813 ( -5.411 3.605 0.000) 6.502 13.495 ( -0.023 -1.935 0.000) 1.935 13.508 ( 0.902 -0.256 0.000) 0.938 15.096 ( 0.437 -0.484 0.000) 0.652 15.117 ( -1.148 1.338 0.000) 1.763 15.375 ( -2.434 -8.680 0.000) 9.015 15.521 ( 3.433 8.747 0.000) 9.396 15.577 ( 1.527 -5.304 0.000) 5.520 15.700 ( -1.221 8.076 0.000) 8.168 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.229 ( 17.505 -0.000 0.000) 17.505 0.230 ( 17.642 -0.000 0.000) 17.642 0.557 ( 42.354 -0.000 0.000) 42.354 1.393 ( 3.173 -0.000 0.000) 3.173 1.504 ( -1.885 0.000 0.000) 1.885 1.862 ( -6.393 0.000 0.000) 6.393 1.934 ( -9.715 0.000 0.000) 9.715 2.209 ( -0.738 0.000 0.000) 0.738 2.262 ( -0.519 0.000 0.000) 0.519 2.336 ( -0.503 0.000 0.000) 0.503 2.367 ( -0.012 0.000 0.000) 0.012 2.847 ( -2.558 0.000 0.000) 2.558 3.071 ( 4.908 -0.000 0.000) 4.908 3.201 ( 2.262 -0.000 0.000) 2.262 3.326 ( 4.165 -0.000 0.000) 4.165 3.501 ( -2.057 0.000 0.000) 2.057 3.796 ( -23.527 0.000 0.000) 23.527 4.243 ( 1.113 -0.000 0.000) 1.113 4.253 ( -1.049 0.000 0.000) 1.049 4.408 ( 15.310 -0.000 0.000) 15.310 4.977 ( 0.055 -0.000 0.000) 0.055 5.107 ( 0.397 -0.000 0.000) 0.397 5.347 ( 0.227 -0.000 0.000) 0.227 5.383 ( 0.616 -0.000 0.000) 0.616 5.750 ( -0.196 0.000 0.000) 0.196 5.808 ( 1.449 -0.000 0.000) 1.449 5.814 ( 0.130 -0.000 0.000) 0.130 5.819 ( -0.560 0.000 0.000) 0.560 5.980 ( -0.679 0.000 0.000) 0.679 6.029 ( -1.150 0.000 0.000) 1.150 6.140 ( -2.776 0.000 0.000) 2.776 6.345 ( 2.912 -0.000 0.000) 2.912 6.359 ( -3.536 0.000 0.000) 3.536 6.612 ( -0.104 0.000 0.000) 0.104 6.628 ( 0.908 -0.000 0.000) 0.908 6.824 ( 2.743 -0.000 0.000) 2.743 6.936 ( -0.020 0.000 0.000) 0.020 6.953 ( -2.992 0.000 0.000) 2.992 7.255 ( 0.135 -0.000 0.000) 0.135 7.263 ( 0.952 -0.000 0.000) 0.952 7.472 ( 0.604 -0.000 0.000) 0.604 7.832 ( 0.229 -0.000 0.000) 0.229 7.833 ( 0.338 -0.000 0.000) 0.338 8.814 ( -2.489 0.000 0.000) 2.489 8.969 ( 1.825 -0.000 0.000) 1.825 9.916 ( 0.011 -0.000 0.000) 0.011 13.348 ( 0.110 -0.000 0.000) 0.110 13.353 ( -0.123 0.000 0.000) 0.123 15.175 ( 0.054 -0.000 0.000) 0.054 15.192 ( -0.076 0.000 0.000) 0.076 15.202 ( 0.053 -0.000 0.000) 0.053 15.205 ( -0.050 0.000 0.000) 0.050 15.301 ( 0.003 -0.000 0.000) 0.003 17.007 ( -0.015 0.000 0.000) 0.015 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( 13.434 -12.276 0.000) 18.198 0.527 ( 11.849 -16.660 0.000) 20.444 1.045 ( 29.731 -20.930 0.000) 36.359 1.446 ( 4.820 -3.309 0.000) 5.846 1.494 ( -2.216 -0.353 0.000) 2.244 1.853 ( -9.608 -4.887 0.000) 10.779 1.937 ( -16.025 -5.164 0.000) 16.836 2.205 ( -2.106 -0.424 0.000) 2.148 2.245 ( -1.668 1.964 0.000) 2.577 2.291 ( -0.334 4.920 0.000) 4.931 2.435 ( 1.688 -7.963 0.000) 8.140 2.829 ( -4.094 -0.588 0.000) 4.136 3.134 ( 6.456 -2.854 0.000) 7.059 3.176 ( 0.299 4.753 0.000) 4.763 3.319 ( 5.569 4.355 0.000) 7.070 3.502 ( -2.362 -1.689 0.000) 2.904 3.549 ( -14.824 5.366 0.000) 15.765 4.180 ( 7.925 8.405 0.000) 11.553 4.199 ( 0.729 5.752 0.000) 5.798 4.257 ( 10.140 9.336 0.000) 13.783 4.998 ( -2.251 -3.752 0.000) 4.375 5.148 ( 4.865 -5.151 0.000) 7.085 5.346 ( 0.396 0.215 0.000) 0.450 5.411 ( -0.380 -4.679 0.000) 4.694 5.790 ( 0.416 2.120 0.000) 2.161 5.797 ( -0.062 0.764 0.000) 0.766 5.813 ( -0.019 0.892 0.000) 0.893 5.959 ( -2.000 4.504 0.000) 4.928 5.971 ( 0.241 0.784 0.000) 0.820 6.124 ( -3.170 -0.622 0.000) 3.231 6.270 ( 0.358 3.638 0.000) 3.656 6.447 ( -0.990 -5.470 0.000) 5.558 6.448 ( -18.755 -32.280 0.000) 37.333 6.623 ( -0.022 -2.605 0.000) 2.605 6.694 ( -4.292 -8.405 0.000) 9.437 6.832 ( 2.175 1.099 0.000) 2.437 6.951 ( -3.495 -2.206 0.000) 4.133 6.970 ( 0.595 -5.056 0.000) 5.091 7.211 ( 0.234 4.982 0.000) 4.987 7.263 ( 1.907 0.766 0.000) 2.055 7.495 ( 0.906 -1.846 0.000) 2.056 7.804 ( 0.729 3.089 0.000) 3.174 7.849 ( -3.685 -1.261 0.000) 3.895 8.792 ( -2.207 0.640 0.000) 2.298 8.952 ( 1.174 3.206 0.000) 3.415 9.517 ( 16.698 28.779 0.000) 33.273 13.361 ( 0.288 -1.361 0.000) 1.391 13.381 ( 0.296 -2.467 0.000) 2.485 15.141 ( -0.009 2.465 0.000) 2.465 15.179 ( -0.002 -0.569 0.000) 0.569 15.222 ( -4.159 0.654 0.000) 4.210 15.277 ( -0.030 -5.009 0.000) 5.009 15.456 ( -6.747 -12.414 0.000) 14.129 16.635 ( 18.296 27.952 0.000) 33.407 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( 11.967 -11.763 0.000) 16.780 0.911 ( 9.740 -17.583 0.000) 20.101 1.451 ( 5.273 -7.102 0.000) 8.846 1.480 ( -2.811 0.351 0.000) 2.833 1.676 ( 14.919 -15.586 0.000) 21.576 1.900 ( -10.502 -6.487 0.000) 12.344 1.909 ( -16.198 -4.401 0.000) 16.785 2.127 ( 0.640 6.642 0.000) 6.673 2.216 ( -0.018 -3.708 0.000) 3.708 2.267 ( -0.732 -0.363 0.000) 0.817 2.600 ( 0.304 -7.568 0.000) 7.574 2.838 ( -5.687 -5.421 0.000) 7.857 3.039 ( -1.335 9.365 0.000) 9.460 3.255 ( 7.456 -5.462 0.000) 9.243 3.257 ( 6.235 6.086 0.000) 8.712 3.444 ( -9.795 -1.377 0.000) 9.891 3.524 ( -1.229 -1.932 0.000) 2.290 4.042 ( -1.311 11.535 0.000) 11.609 4.064 ( 4.856 9.869 0.000) 10.999 4.135 ( 2.696 9.774 0.000) 10.139 5.066 ( -2.597 -5.406 0.000) 5.998 5.322 ( 6.080 -9.052 0.000) 10.905 5.345 ( 0.615 0.363 0.000) 0.714 5.553 ( -0.378 -11.652 0.000) 11.659 5.750 ( 0.913 2.729 0.000) 2.878 5.784 ( -1.244 1.654 0.000) 2.070 5.785 ( 1.433 1.167 0.000) 1.848 5.856 ( -1.187 4.917 0.000) 5.059 5.954 ( 1.398 1.878 0.000) 2.341 6.114 ( -2.903 -0.533 0.000) 2.952 6.219 ( 0.193 2.663 0.000) 2.670 6.532 ( -1.041 -4.802 0.000) 4.913 6.609 ( -2.109 -3.194 0.000) 3.828 6.706 ( 0.688 -3.784 0.000) 3.846 6.814 ( 0.541 1.746 0.000) 1.828 6.836 ( -9.070 -8.402 0.000) 12.364 6.969 ( -3.437 -1.065 0.000) 3.598 7.089 ( 0.042 7.773 0.000) 7.774 7.203 ( 2.633 -17.824 0.000) 18.018 7.274 ( 4.380 0.023 0.000) 4.380 7.537 ( 1.239 -1.427 0.000) 1.890 7.743 ( 1.623 4.261 0.000) 4.560 7.833 ( -6.713 -1.989 0.000) 7.002 8.765 ( -0.871 1.156 0.000) 1.447 8.864 ( -0.464 6.854 0.000) 6.869 9.175 ( 6.795 19.026 0.000) 20.203 13.400 ( 0.596 -2.560 0.000) 2.628 13.437 ( 0.936 -3.115 0.000) 3.252 15.107 ( 0.015 1.275 0.000) 1.275 15.175 ( -2.911 1.608 0.000) 3.325 15.199 ( -0.293 -1.871 0.000) 1.894 15.374 ( 0.054 -5.742 0.000) 5.742 15.574 ( -4.535 -5.327 0.000) 6.996 16.290 ( 12.334 22.826 0.000) 25.945 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 10.940 -9.300 0.000) 14.359 1.248 ( 5.711 -11.414 0.000) 12.763 1.449 ( -0.994 -0.425 0.000) 1.081 1.563 ( 1.337 -4.770 0.000) 4.953 1.808 ( -7.020 0.601 0.000) 7.046 1.880 ( -2.325 3.191 0.000) 3.948 1.929 ( -11.552 -4.349 0.000) 12.344 2.132 ( -3.713 -7.817 0.000) 8.654 2.269 ( 3.215 0.994 0.000) 3.365 2.455 ( 10.895 -15.906 0.000) 19.279 2.668 ( -6.863 -3.716 0.000) 7.804 2.863 ( 1.719 8.441 0.000) 8.614 2.977 ( -4.472 -11.958 0.000) 12.767 3.201 ( 9.317 5.611 0.000) 10.877 3.417 ( 6.073 -6.942 0.000) 9.224 3.438 ( -7.646 -4.021 0.000) 8.639 3.552 ( 2.194 -0.751 0.000) 2.319 3.782 ( -3.898 14.336 0.000) 14.856 3.886 ( 2.211 12.435 0.000) 12.630 3.937 ( -2.303 12.192 0.000) 12.407 5.153 ( -1.755 -5.691 0.000) 5.955 5.338 ( 0.504 0.985 0.000) 1.106 5.521 ( 5.205 -8.736 0.000) 10.169 5.709 ( 1.797 2.641 0.000) 3.195 5.717 ( 0.012 2.366 0.000) 2.366 5.747 ( -2.539 0.924 0.000) 2.702 5.806 ( 2.118 0.870 0.000) 2.290 5.847 ( -0.237 -15.921 0.000) 15.922 5.911 ( 1.313 4.352 0.000) 4.546 6.107 ( -2.535 -0.760 0.000) 2.647 6.172 ( -0.580 2.158 0.000) 2.234 6.603 ( -0.371 -2.891 0.000) 2.915 6.650 ( -0.907 -2.722 0.000) 2.869 6.756 ( 0.844 -1.244 0.000) 1.504 6.780 ( 0.538 2.431 0.000) 2.490 6.848 ( 0.022 11.430 0.000) 11.430 6.903 ( -6.191 -5.639 0.000) 8.374 7.030 ( -3.536 -1.462 0.000) 3.826 7.321 ( 5.919 -1.300 0.000) 6.061 7.460 ( 4.686 -1.586 0.000) 4.947 7.559 ( 3.136 -2.733 0.000) 4.160 7.679 ( 1.534 4.041 0.000) 4.323 7.910 ( -6.975 -13.587 0.000) 15.273 8.673 ( -2.356 10.243 0.000) 10.510 8.775 ( 1.786 0.827 0.000) 1.968 8.914 ( -1.545 11.778 0.000) 11.879 13.454 ( 0.526 -2.726 0.000) 2.776 13.493 ( 1.058 -2.131 0.000) 2.379 15.094 ( 0.148 0.219 0.000) 0.265 15.133 ( -1.690 1.412 0.000) 2.202 15.249 ( -0.956 -4.335 0.000) 4.439 15.482 ( 0.480 -5.993 0.000) 6.012 15.603 ( -1.264 -0.277 0.000) 1.294 15.966 ( 5.400 19.606 0.000) 20.336 ======================= Grid point 14 (10/125) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -4.528 6.052 0.000) 7.559 1.268 ( 9.296 -6.876 0.000) 11.563 1.600 ( 6.593 -7.506 0.000) 9.991 1.631 ( 0.475 -0.156 0.000) 0.500 1.710 ( -7.674 3.964 0.000) 8.637 1.824 ( 1.260 1.608 0.000) 2.043 1.932 ( -11.906 -7.514 0.000) 14.079 2.247 ( 7.300 0.166 0.000) 7.302 2.328 ( -1.250 -10.333 0.000) 10.409 2.569 ( 1.341 7.542 0.000) 7.661 2.689 ( -10.605 -5.407 0.000) 11.904 2.946 ( 13.422 -7.369 0.000) 15.312 3.087 ( -6.678 1.615 0.000) 6.871 3.196 ( 10.606 0.289 0.000) 10.610 3.461 ( -1.862 2.840 0.000) 3.396 3.484 ( -6.556 -6.115 0.000) 8.965 3.561 ( -0.769 -1.747 0.000) 1.909 3.657 ( 0.579 13.309 0.000) 13.322 3.682 ( -5.600 12.904 0.000) 14.067 3.690 ( 6.622 -5.946 0.000) 8.900 5.239 ( -0.935 -4.622 0.000) 4.716 5.311 ( 0.203 2.323 0.000) 2.332 5.656 ( -1.429 2.148 0.000) 2.580 5.685 ( 1.499 1.131 0.000) 1.877 5.696 ( 3.061 -7.265 0.000) 7.883 5.722 ( -2.429 -0.047 0.000) 2.430 5.803 ( -0.602 7.915 0.000) 7.938 5.809 ( 3.372 0.934 0.000) 3.499 6.095 ( -1.338 -2.359 0.000) 2.712 6.144 ( 0.326 0.790 0.000) 0.855 6.196 ( -0.475 -18.241 0.000) 18.247 6.503 ( -1.152 14.908 0.000) 14.952 6.696 ( -0.321 -2.864 0.000) 2.882 6.728 ( 2.088 0.547 0.000) 2.159 6.751 ( 0.053 1.606 0.000) 1.607 6.762 ( 1.401 1.246 0.000) 1.875 6.968 ( -4.451 -5.415 0.000) 7.009 7.041 ( -1.846 -1.685 0.000) 2.500 7.385 ( 5.031 -1.629 0.000) 5.288 7.387 ( -0.906 6.476 0.000) 6.539 7.613 ( -0.708 3.852 0.000) 3.916 7.628 ( 3.336 -0.360 0.000) 3.355 8.192 ( -1.050 -18.221 0.000) 18.251 8.439 ( -2.532 13.118 0.000) 13.360 8.748 ( -4.145 4.342 0.000) 6.002 8.805 ( 4.041 -1.608 0.000) 4.349 13.494 ( -0.117 -1.357 0.000) 1.362 13.518 ( 0.571 0.188 0.000) 0.601 15.102 ( 0.500 -0.839 0.000) 0.976 15.104 ( -0.757 0.863 0.000) 1.148 15.345 ( -2.034 -7.366 0.000) 7.642 15.563 ( 2.754 6.279 0.000) 6.856 15.595 ( 1.151 -6.073 0.000) 6.181 15.684 ( -1.075 11.721 0.000) 11.770 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -4.280 9.353 0.000) 10.286 1.394 ( 4.044 4.970 0.000) 6.407 1.507 ( 1.535 4.205 0.000) 4.476 1.648 ( 1.333 3.740 0.000) 3.970 1.686 ( -7.639 -5.531 0.000) 9.432 1.874 ( 3.806 -3.213 0.000) 4.981 2.055 ( -4.424 -10.606 0.000) 11.492 2.269 ( 10.795 3.442 0.000) 11.331 2.414 ( 2.165 9.843 0.000) 10.078 2.544 ( 0.411 -7.931 0.000) 7.941 2.649 ( -7.855 6.525 0.000) 10.211 2.889 ( -10.322 -0.124 0.000) 10.323 3.000 ( 12.688 8.523 0.000) 15.285 3.275 ( 4.037 6.522 0.000) 7.671 3.409 ( -8.279 10.995 0.000) 13.764 3.476 ( -2.717 -1.045 0.000) 2.911 3.542 ( -0.155 -6.456 0.000) 6.458 3.598 ( -1.778 -5.156 0.000) 5.454 3.631 ( 1.723 -10.209 0.000) 10.353 3.871 ( 4.914 -8.310 0.000) 9.655 5.259 ( 0.356 3.544 0.000) 3.562 5.299 ( -0.506 -2.438 0.000) 2.490 5.623 ( -1.566 10.229 0.000) 10.349 5.633 ( -1.497 -0.896 0.000) 1.745 5.691 ( 0.274 -0.704 0.000) 0.756 5.725 ( -1.622 -1.610 0.000) 2.285 5.805 ( 2.738 -0.121 0.000) 2.740 5.828 ( 0.732 -4.072 0.000) 4.137 6.115 ( -1.393 -1.857 0.000) 2.321 6.137 ( 1.739 3.592 0.000) 3.991 6.188 ( -1.141 15.331 0.000) 15.374 6.526 ( 0.210 -17.111 0.000) 17.113 6.707 ( 0.731 2.262 0.000) 2.377 6.736 ( 2.567 2.712 0.000) 3.734 6.749 ( -0.096 -3.038 0.000) 3.039 6.750 ( -0.316 0.038 0.000) 0.318 7.037 ( -2.372 -4.800 0.000) 5.354 7.062 ( 2.015 -0.173 0.000) 2.023 7.258 ( -2.777 6.161 0.000) 6.758 7.434 ( 2.824 0.266 0.000) 2.837 7.526 ( -3.955 3.272 0.000) 5.133 7.636 ( 0.686 0.101 0.000) 0.693 8.199 ( -0.293 11.726 0.000) 11.729 8.494 ( 0.935 -14.708 0.000) 14.738 8.702 ( -2.387 -1.250 0.000) 2.694 8.877 ( 3.849 -3.150 0.000) 4.974 13.495 ( -0.045 2.384 0.000) 2.384 13.496 ( -0.752 0.775 0.000) 1.080 15.091 ( -0.229 0.242 0.000) 0.333 15.132 ( 1.002 -1.941 0.000) 2.184 15.404 ( 1.810 10.150 0.000) 10.311 15.480 ( -2.513 -9.141 0.000) 9.480 15.558 ( -1.256 4.244 0.000) 4.426 15.714 ( 0.808 -6.380 0.000) 6.431 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -3.025 12.258 0.000) 12.626 1.131 ( -1.708 18.084 0.000) 18.164 1.533 ( 2.201 0.427 0.000) 2.242 1.561 ( 0.509 5.741 0.000) 5.763 1.826 ( -2.047 -12.664 0.000) 12.828 1.843 ( -0.632 14.193 0.000) 14.207 2.206 ( -0.454 -7.016 0.000) 7.031 2.219 ( 4.340 11.424 0.000) 12.220 2.253 ( 1.568 9.184 0.000) 9.317 2.295 ( -0.800 5.241 0.000) 5.302 2.837 ( 0.116 -14.357 0.000) 14.358 2.854 ( 4.816 13.832 0.000) 14.646 2.976 ( -4.431 -10.043 0.000) 10.978 3.096 ( 3.879 11.958 0.000) 12.572 3.199 ( -7.400 5.585 0.000) 9.271 3.525 ( -0.283 -2.388 0.000) 2.404 3.576 ( 1.969 0.880 0.000) 2.157 3.753 ( -3.161 -10.661 0.000) 11.120 3.864 ( 1.324 -12.475 0.000) 12.545 4.033 ( 1.710 -7.165 0.000) 7.366 5.194 ( 0.735 4.048 0.000) 4.114 5.323 ( -0.302 -0.879 0.000) 0.929 5.417 ( -1.661 11.153 0.000) 11.276 5.665 ( -0.777 -3.207 0.000) 3.300 5.715 ( -0.028 -1.661 0.000) 1.661 5.758 ( -0.823 -0.387 0.000) 0.910 5.806 ( 1.108 0.504 0.000) 1.217 5.856 ( 0.212 13.382 0.000) 13.384 5.901 ( 0.064 -3.267 0.000) 3.268 6.146 ( -0.985 -2.384 0.000) 2.580 6.156 ( 0.739 -0.129 0.000) 0.750 6.670 ( 0.549 2.270 0.000) 2.336 6.680 ( 2.845 4.388 0.000) 5.230 6.730 ( -0.745 1.590 0.000) 1.756 6.749 ( -1.040 -4.431 0.000) 4.551 6.863 ( 0.345 -11.628 0.000) 11.633 7.061 ( 3.414 2.401 0.000) 4.173 7.099 ( 2.507 -0.080 0.000) 2.508 7.149 ( -5.160 0.879 0.000) 5.235 7.333 ( -2.821 8.427 0.000) 8.887 7.516 ( -0.564 -1.295 0.000) 1.413 7.656 ( -0.245 -2.492 0.000) 2.504 8.043 ( 2.089 5.858 0.000) 6.219 8.719 ( 0.625 -9.635 0.000) 9.655 8.739 ( -0.481 -3.451 0.000) 3.484 8.952 ( 0.747 -3.197 0.000) 3.283 13.442 ( -0.205 3.087 0.000) 3.094 13.461 ( -0.716 2.349 0.000) 2.456 15.092 ( -0.031 -0.438 0.000) 0.440 15.183 ( 1.150 -2.826 0.000) 3.050 15.270 ( 0.353 5.525 0.000) 5.536 15.471 ( -0.196 5.118 0.000) 5.121 15.633 ( 0.626 -8.684 0.000) 8.706 15.826 ( -2.883 -6.399 0.000) 7.019 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( -0.000 15.133 0.000) 15.133 0.775 ( -0.000 20.536 0.000) 20.536 1.347 ( -0.000 34.243 0.000) 34.243 1.467 ( -0.000 4.818 0.000) 4.818 1.526 ( -0.000 0.645 0.000) 0.645 2.017 ( 0.000 -2.963 0.000) 2.963 2.141 ( 0.000 -1.748 0.000) 1.748 2.155 ( -0.000 0.120 0.000) 0.120 2.251 ( -0.000 2.014 0.000) 2.014 2.284 ( 0.000 -1.467 0.000) 1.467 2.615 ( -0.000 13.061 0.000) 13.061 2.939 ( -0.000 6.356 0.000) 6.356 3.073 ( 0.000 -11.353 0.000) 11.353 3.104 ( -0.000 3.234 0.000) 3.234 3.133 ( 0.000 -8.398 0.000) 8.398 3.543 ( -0.000 0.186 0.000) 0.186 3.556 ( -0.000 1.842 0.000) 1.842 3.902 ( 0.000 -6.792 0.000) 6.792 4.064 ( 0.000 -9.209 0.000) 9.209 4.152 ( 0.000 -5.687 0.000) 5.687 5.127 ( -0.000 3.683 0.000) 3.683 5.210 ( -0.000 10.845 0.000) 10.845 5.334 ( 0.000 -0.525 0.000) 0.525 5.564 ( -0.000 11.341 0.000) 11.341 5.725 ( 0.000 -3.446 0.000) 3.446 5.757 ( 0.000 -2.481 0.000) 2.481 5.807 ( 0.000 -0.304 0.000) 0.304 5.876 ( 0.000 -5.768 0.000) 5.768 5.949 ( 0.000 -2.073 0.000) 2.073 6.161 ( 0.000 -0.017 0.000) 0.017 6.190 ( 0.000 -3.053 0.000) 3.053 6.591 ( -0.000 6.221 0.000) 6.221 6.633 ( -0.000 1.963 0.000) 1.963 6.686 ( -0.000 3.018 0.000) 3.018 6.787 ( 0.000 -1.204 0.000) 1.204 7.017 ( -0.000 3.690 0.000) 3.690 7.040 ( -0.000 3.737 0.000) 3.737 7.071 ( 0.000 -9.931 0.000) 9.931 7.170 ( -0.000 8.046 0.000) 8.046 7.193 ( 0.000 -3.551 0.000) 3.551 7.514 ( -0.000 1.273 0.000) 1.273 7.720 ( 0.000 -4.457 0.000) 4.457 8.010 ( 0.000 -0.366 0.000) 0.366 8.792 ( 0.000 -2.489 0.000) 2.489 8.859 ( 0.000 -5.707 0.000) 5.707 8.995 ( 0.000 -1.833 0.000) 1.833 13.391 ( -0.000 2.395 0.000) 2.395 13.412 ( -0.000 2.668 0.000) 2.668 15.107 ( 0.000 -1.311 0.000) 1.311 15.204 ( -0.000 2.262 0.000) 2.262 15.240 ( 0.000 -2.886 0.000) 2.886 15.373 ( -0.000 5.535 0.000) 5.535 15.805 ( 0.000 -8.570 0.000) 8.570 15.889 ( 0.000 -3.337 0.000) 3.337 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 17.502 -0.000 0.000) 17.502 0.462 ( 17.717 -0.000 0.000) 17.717 1.106 ( 41.367 -0.000 0.000) 41.367 1.448 ( 4.928 -0.000 0.000) 4.928 1.473 ( -2.677 0.000 0.000) 2.677 1.735 ( -12.563 0.000 0.000) 12.563 1.771 ( -14.648 0.000 0.000) 14.648 2.187 ( -2.435 0.000 0.000) 2.435 2.268 ( 1.439 -0.000 0.000) 1.439 2.327 ( -0.767 0.000 0.000) 0.767 2.368 ( 0.094 -0.000 0.000) 0.094 2.802 ( -4.100 0.000 0.000) 4.100 3.148 ( 6.195 -0.000 0.000) 6.195 3.237 ( 2.900 -0.000 0.000) 2.900 3.398 ( 6.275 -0.000 0.000) 6.275 3.454 ( -28.363 0.000 0.000) 28.363 3.465 ( -3.116 0.000 0.000) 3.116 4.234 ( -1.761 0.000 0.000) 1.761 4.262 ( 1.633 -0.000 0.000) 1.633 4.588 ( 11.727 -0.000 0.000) 11.727 4.970 ( -1.323 0.000 0.000) 1.323 5.127 ( 2.973 -0.000 0.000) 2.973 5.350 ( 0.305 -0.000 0.000) 0.305 5.391 ( 0.333 -0.000 0.000) 0.333 5.747 ( -0.279 0.000 0.000) 0.279 5.809 ( -0.840 0.000 0.000) 0.840 5.817 ( 0.203 -0.000 0.000) 0.203 5.823 ( 0.328 -0.000 0.000) 0.328 5.984 ( 1.817 -0.000 0.000) 1.817 6.008 ( -1.890 0.000 0.000) 1.890 6.094 ( -3.993 0.000 0.000) 3.993 6.300 ( -5.081 0.000 0.000) 5.081 6.399 ( 5.351 -0.000 0.000) 5.351 6.610 ( -0.159 0.000 0.000) 0.159 6.642 ( 1.099 -0.000 0.000) 1.099 6.864 ( 3.014 -0.000 0.000) 3.014 6.897 ( -5.360 0.000 0.000) 5.360 6.935 ( -0.030 0.000 0.000) 0.030 7.257 ( 0.089 -0.000 0.000) 0.089 7.277 ( 1.124 -0.000 0.000) 1.124 7.482 ( 0.898 -0.000 0.000) 0.898 7.836 ( 0.348 -0.000 0.000) 0.348 7.838 ( 0.527 -0.000 0.000) 0.527 8.782 ( -2.029 0.000 0.000) 2.029 8.991 ( 1.247 -0.000 0.000) 1.247 9.916 ( 0.017 -0.000 0.000) 0.017 13.350 ( 0.168 -0.000 0.000) 0.168 13.351 ( -0.190 0.000 0.000) 0.190 15.176 ( 0.085 -0.000 0.000) 0.085 15.191 ( -0.120 0.000 0.000) 0.120 15.203 ( 0.082 -0.000 0.000) 0.082 15.204 ( -0.076 0.000 0.000) 0.076 15.301 ( 0.004 -0.000 0.000) 0.004 17.007 ( -0.023 0.000 0.000) 0.023 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 15.571 -9.869 0.000) 18.435 0.704 ( 14.730 -13.100 0.000) 19.713 1.422 ( 19.791 -3.571 0.000) 20.110 1.462 ( -2.425 -0.447 0.000) 2.466 1.559 ( 18.573 -9.707 0.000) 20.957 1.694 ( -14.222 -5.293 0.000) 15.175 1.718 ( -16.984 -4.239 0.000) 17.505 2.173 ( -2.229 -0.692 0.000) 2.334 2.234 ( -0.081 2.985 0.000) 2.986 2.285 ( -0.556 4.162 0.000) 4.199 2.463 ( 2.354 -8.411 0.000) 8.735 2.768 ( -4.925 0.318 0.000) 4.935 3.156 ( -9.341 6.644 0.000) 11.463 3.218 ( 5.978 -3.378 0.000) 6.866 3.298 ( -12.122 -0.398 0.000) 12.129 3.420 ( 4.965 1.919 0.000) 5.323 3.467 ( -2.740 -2.312 0.000) 3.585 4.184 ( -1.788 4.231 0.000) 4.593 4.210 ( 0.842 6.861 0.000) 6.912 4.441 ( 12.075 16.566 0.000) 20.499 4.970 ( -2.070 -2.924 0.000) 3.583 5.212 ( 4.871 -6.579 0.000) 8.186 5.352 ( 0.391 0.070 0.000) 0.397 5.410 ( 0.012 -4.128 0.000) 4.128 5.787 ( -0.650 1.615 0.000) 1.741 5.795 ( -0.214 -0.491 0.000) 0.535 5.812 ( -0.545 1.272 0.000) 1.384 5.933 ( -1.763 3.885 0.000) 4.266 5.993 ( 3.294 0.941 0.000) 3.426 6.080 ( -3.297 -1.081 0.000) 3.469 6.250 ( -3.522 1.634 0.000) 3.882 6.256 ( -10.268 -33.065 0.000) 34.623 6.467 ( 4.177 -3.009 0.000) 5.148 6.624 ( 0.063 -2.149 0.000) 2.150 6.681 ( 0.213 -3.325 0.000) 3.332 6.839 ( -2.287 1.390 0.000) 2.677 6.910 ( -1.643 -2.208 0.000) 2.753 6.979 ( 0.712 -6.019 0.000) 6.061 7.213 ( 0.047 4.911 0.000) 4.912 7.288 ( 1.821 -0.453 0.000) 1.877 7.507 ( 0.941 -1.979 0.000) 2.191 7.815 ( 0.854 2.474 0.000) 2.617 7.823 ( -0.885 1.902 0.000) 2.098 8.769 ( -1.108 0.217 0.000) 1.129 8.961 ( 0.175 3.951 0.000) 3.955 9.651 ( 5.723 24.456 0.000) 25.117 13.365 ( 0.325 -1.561 0.000) 1.594 13.381 ( -0.129 -3.021 0.000) 3.024 15.141 ( -0.008 2.453 0.000) 2.453 15.179 ( 0.004 -0.444 0.000) 0.444 15.183 ( -1.832 1.360 0.000) 2.282 15.277 ( -0.041 -5.003 0.000) 5.003 15.409 ( -1.822 -8.986 0.000) 9.169 16.784 ( 6.514 21.343 0.000) 22.315 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 14.641 -10.215 0.000) 17.852 1.058 ( 12.289 -15.155 0.000) 19.511 1.446 ( -2.101 0.546 0.000) 2.171 1.513 ( 3.577 -2.155 0.000) 4.176 1.679 ( -17.566 -4.089 0.000) 18.035 1.734 ( -14.140 -8.897 0.000) 16.706 1.859 ( 9.982 -3.802 0.000) 10.681 2.145 ( 1.905 5.841 0.000) 6.144 2.259 ( -0.587 -1.410 0.000) 1.527 2.272 ( 10.334 -11.458 0.000) 15.430 2.610 ( 1.109 -3.166 0.000) 3.355 2.764 ( -5.246 -6.616 0.000) 8.444 2.979 ( -10.007 5.117 0.000) 11.239 3.253 ( -5.780 -0.900 0.000) 5.849 3.339 ( 5.124 -5.728 0.000) 7.686 3.405 ( 4.696 3.040 0.000) 5.594 3.509 ( -1.005 -3.635 0.000) 3.772 4.026 ( -1.010 13.387 0.000) 13.425 4.057 ( -2.481 8.397 0.000) 8.756 4.215 ( 6.080 15.587 0.000) 16.731 5.037 ( -1.756 -5.531 0.000) 5.803 5.352 ( 0.446 0.299 0.000) 0.538 5.402 ( 6.007 -9.176 0.000) 10.967 5.547 ( -0.825 -11.973 0.000) 12.001 5.752 ( -0.430 1.692 0.000) 1.746 5.772 ( -0.535 2.527 0.000) 2.583 5.801 ( 1.049 1.409 0.000) 1.757 5.841 ( -1.048 3.337 0.000) 3.498 5.988 ( 3.664 2.508 0.000) 4.440 6.077 ( -2.542 -0.795 0.000) 2.664 6.196 ( -3.496 1.785 0.000) 3.926 6.552 ( 3.880 -3.331 0.000) 5.113 6.566 ( -4.239 -7.678 0.000) 8.770 6.707 ( -0.658 -5.536 0.000) 5.575 6.756 ( -2.853 -5.827 0.000) 6.488 6.803 ( -2.352 0.897 0.000) 2.517 6.930 ( -2.242 -1.228 0.000) 2.556 7.086 ( -0.334 8.717 0.000) 8.724 7.238 ( 2.547 -21.280 0.000) 21.431 7.324 ( 3.075 -1.668 0.000) 3.499 7.551 ( 0.877 -1.479 0.000) 1.720 7.765 ( -3.745 1.917 0.000) 4.207 7.766 ( 1.635 3.822 0.000) 4.157 8.762 ( 0.383 0.510 0.000) 0.637 8.851 ( -1.449 7.498 0.000) 7.637 9.241 ( 3.390 23.231 0.000) 23.477 13.408 ( 0.514 -2.682 0.000) 2.730 13.445 ( 0.298 -3.660 0.000) 3.672 15.108 ( 0.024 1.235 0.000) 1.235 15.146 ( -1.552 1.392 0.000) 2.085 15.195 ( -0.248 -1.559 0.000) 1.579 15.375 ( 0.034 -5.901 0.000) 5.901 15.532 ( -2.102 -5.774 0.000) 6.145 16.413 ( 6.542 24.143 0.000) 25.014 ======================= Grid point 23 (17/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 13.100 -6.886 0.000) 14.800 1.294 ( 1.018 -0.660 0.000) 1.213 1.494 ( 8.019 -8.388 0.000) 11.604 1.585 ( 1.675 -3.688 0.000) 4.050 1.643 ( -15.613 -5.385 0.000) 16.515 1.790 ( -10.487 -5.368 0.000) 11.781 1.845 ( -3.104 4.291 0.000) 5.296 2.117 ( 0.613 -3.001 0.000) 3.063 2.315 ( 3.620 -3.670 0.000) 5.155 2.585 ( -5.472 1.387 0.000) 5.645 2.604 ( 10.620 -8.641 0.000) 13.691 2.880 ( 0.674 -2.123 0.000) 2.227 2.930 ( -2.536 -11.380 0.000) 11.659 3.262 ( -2.696 -3.131 0.000) 4.132 3.379 ( 1.576 1.985 0.000) 2.534 3.469 ( 2.086 -5.187 0.000) 5.590 3.586 ( 2.563 -3.710 0.000) 4.509 3.738 ( -2.606 15.419 0.000) 15.638 3.850 ( -3.996 12.085 0.000) 12.729 3.960 ( 2.516 15.840 0.000) 16.038 5.134 ( -1.075 -6.033 0.000) 6.128 5.342 ( 0.202 1.130 0.000) 1.148 5.584 ( 3.868 -7.506 0.000) 8.444 5.716 ( -0.133 4.363 0.000) 4.365 5.719 ( -1.535 1.559 0.000) 2.188 5.727 ( 0.910 2.043 0.000) 2.237 5.825 ( 0.644 -9.619 0.000) 9.641 5.848 ( 0.581 -8.742 0.000) 8.761 5.934 ( 1.892 5.991 0.000) 6.282 6.077 ( -1.866 -0.835 0.000) 2.044 6.152 ( -2.044 0.667 0.000) 2.151 6.618 ( 2.103 -0.422 0.000) 2.145 6.636 ( -1.159 -3.554 0.000) 3.738 6.769 ( 1.190 -1.633 0.000) 2.020 6.775 ( -1.133 1.034 0.000) 1.534 6.836 ( -3.997 -5.711 0.000) 6.971 6.863 ( 2.128 10.379 0.000) 10.595 6.979 ( -3.998 -1.456 0.000) 4.255 7.381 ( 3.057 -2.135 0.000) 3.729 7.503 ( 1.895 4.791 0.000) 5.152 7.618 ( 5.611 -6.692 0.000) 8.733 7.700 ( 1.403 4.761 0.000) 4.964 7.816 ( -7.134 -17.443 0.000) 18.845 8.646 ( -1.642 11.430 0.000) 11.547 8.796 ( 1.195 -1.251 0.000) 1.730 8.898 ( -0.869 15.095 0.000) 15.120 13.459 ( 0.320 -2.499 0.000) 2.519 13.503 ( 0.448 -2.241 0.000) 2.285 15.096 ( 0.122 0.066 0.000) 0.139 15.116 ( -0.817 1.066 0.000) 1.343 15.238 ( -0.616 -3.731 0.000) 3.781 15.487 ( 0.292 -6.406 0.000) 6.413 15.589 ( -0.780 -1.760 0.000) 1.925 16.022 ( 3.001 22.339 0.000) 22.540 ======================= Grid point 24 (18/125) ======================= q-point: ( 0.67 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -1.652 7.031 0.000) 7.222 1.389 ( 8.017 -5.514 0.000) 9.731 1.585 ( -7.144 -0.867 0.000) 7.196 1.669 ( 1.531 8.315 0.000) 8.454 1.687 ( 5.660 -2.550 0.000) 6.208 1.809 ( -2.831 -4.407 0.000) 5.238 1.810 ( -5.946 -11.813 0.000) 13.225 2.264 ( -1.039 -12.257 0.000) 12.301 2.408 ( 9.536 0.210 0.000) 9.538 2.555 ( -9.743 -6.028 0.000) 11.457 2.582 ( 0.565 7.753 0.000) 7.774 3.024 ( -2.608 4.855 0.000) 5.511 3.111 ( 10.261 -9.456 0.000) 13.953 3.304 ( 4.980 0.333 0.000) 4.992 3.374 ( -8.370 -4.453 0.000) 9.481 3.440 ( -1.022 4.810 0.000) 4.917 3.553 ( -0.327 -2.841 0.000) 2.859 3.603 ( -3.237 10.512 0.000) 10.999 3.685 ( 0.896 15.555 0.000) 15.581 3.752 ( 2.519 -7.723 0.000) 8.124 5.230 ( -0.407 -4.887 0.000) 4.904 5.312 ( -0.003 2.319 0.000) 2.319 5.642 ( -0.585 2.651 0.000) 2.715 5.689 ( -0.519 0.719 0.000) 0.887 5.709 ( 0.120 0.460 0.000) 0.475 5.726 ( 1.336 -6.294 0.000) 6.434 5.799 ( -0.082 9.293 0.000) 9.293 5.842 ( 1.440 0.811 0.000) 1.653 6.081 ( -0.594 -1.262 0.000) 1.395 6.145 ( -0.053 -0.333 0.000) 0.337 6.189 ( -0.332 -19.664 0.000) 19.667 6.492 ( -0.422 14.878 0.000) 14.884 6.691 ( -0.289 -3.219 0.000) 3.231 6.748 ( 0.212 1.833 0.000) 1.846 6.758 ( 1.232 1.660 0.000) 2.067 6.786 ( 1.622 0.798 0.000) 1.807 6.917 ( -2.676 -5.933 0.000) 6.509 7.018 ( -1.239 -3.932 0.000) 4.122 7.379 ( -0.272 7.798 0.000) 7.803 7.434 ( 2.017 -1.902 0.000) 2.772 7.607 ( -0.253 6.157 0.000) 6.162 7.660 ( 1.394 1.198 0.000) 1.838 8.179 ( -0.728 -20.678 0.000) 20.691 8.414 ( -1.119 12.715 0.000) 12.765 8.710 ( -1.443 4.813 0.000) 5.025 8.844 ( 1.635 -2.714 0.000) 3.168 13.492 ( -0.072 -0.937 0.000) 0.940 13.522 ( 0.174 0.410 0.000) 0.445 15.097 ( -0.251 0.631 0.000) 0.680 15.107 ( 0.238 -1.137 0.000) 1.162 15.325 ( -0.806 -6.541 0.000) 6.590 15.589 ( 1.050 2.039 0.000) 2.293 15.606 ( 0.425 -6.476 0.000) 6.490 15.674 ( -0.439 16.602 0.000) 16.607 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.000 9.796 0.000) 9.796 1.416 ( -0.000 12.896 0.000) 12.896 1.554 ( -0.000 0.544 0.000) 0.544 1.604 ( 0.000 -8.912 0.000) 8.912 1.658 ( -0.000 4.632 0.000) 4.632 1.900 ( 0.000 -3.567 0.000) 3.567 2.026 ( 0.000 -12.062 0.000) 12.062 2.349 ( -0.000 3.095 0.000) 3.095 2.428 ( -0.000 9.299 0.000) 9.299 2.562 ( 0.000 -15.372 0.000) 15.372 2.583 ( -0.000 13.520 0.000) 13.520 2.810 ( -0.000 0.009 0.000) 0.009 3.125 ( -0.000 11.865 0.000) 11.865 3.246 ( -0.000 4.478 0.000) 4.478 3.376 ( -0.000 15.735 0.000) 15.735 3.451 ( 0.000 -5.489 0.000) 5.489 3.540 ( 0.000 -11.057 0.000) 11.057 3.586 ( 0.000 -0.803 0.000) 0.803 3.644 ( 0.000 -10.918 0.000) 10.918 3.904 ( 0.000 -7.889 0.000) 7.889 5.261 ( -0.000 3.298 0.000) 3.298 5.295 ( 0.000 -2.460 0.000) 2.460 5.613 ( -0.000 10.940 0.000) 10.940 5.623 ( 0.000 -0.841 0.000) 0.841 5.689 ( 0.000 -0.816 0.000) 0.816 5.718 ( 0.000 -1.543 0.000) 1.543 5.827 ( -0.000 1.216 0.000) 1.216 5.830 ( 0.000 -4.776 0.000) 4.776 6.105 ( 0.000 -1.778 0.000) 1.778 6.153 ( 0.000 -0.393 0.000) 0.393 6.176 ( -0.000 18.905 0.000) 18.905 6.527 ( 0.000 -17.339 0.000) 17.339 6.713 ( -0.000 2.244 0.000) 2.244 6.746 ( -0.000 0.617 0.000) 0.617 6.748 ( 0.000 -3.345 0.000) 3.345 6.759 ( -0.000 2.849 0.000) 2.849 7.016 ( 0.000 -5.928 0.000) 5.928 7.075 ( 0.000 -1.927 0.000) 1.927 7.241 ( -0.000 7.218 0.000) 7.218 7.475 ( -0.000 7.966 0.000) 7.966 7.478 ( 0.000 -2.232 0.000) 2.232 7.640 ( -0.000 0.681 0.000) 0.681 8.197 ( -0.000 10.583 0.000) 10.583 8.499 ( 0.000 -15.059 0.000) 15.059 8.687 ( 0.000 -1.755 0.000) 1.755 8.903 ( 0.000 -3.048 0.000) 3.048 13.491 ( -0.000 1.021 0.000) 1.021 13.494 ( -0.000 2.547 0.000) 2.547 15.090 ( -0.000 0.159 0.000) 0.159 15.139 ( 0.000 -2.254 0.000) 2.254 15.417 ( -0.000 10.985 0.000) 10.985 15.462 ( 0.000 -8.998 0.000) 8.998 15.549 ( -0.000 3.558 0.000) 3.558 15.719 ( 0.000 -5.911 0.000) 5.911 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 16.536 -0.000 0.000) 16.536 0.690 ( 16.816 -0.000 0.000) 16.816 1.439 ( -2.395 0.000 0.000) 2.395 1.512 ( 4.485 -0.000 0.000) 4.485 1.551 ( -14.739 0.000 0.000) 14.739 1.567 ( -15.844 0.000 0.000) 15.844 1.637 ( 39.752 -0.000 0.000) 39.752 2.152 ( -2.694 0.000 0.000) 2.694 2.293 ( 2.090 -0.000 0.000) 2.090 2.318 ( -0.619 0.000 0.000) 0.619 2.370 ( 0.188 -0.000 0.000) 0.188 2.748 ( -3.833 0.000 0.000) 3.833 3.059 ( -31.885 0.000 0.000) 31.885 3.220 ( 4.588 -0.000 0.000) 4.588 3.272 ( 2.260 -0.000 0.000) 2.260 3.426 ( -2.703 0.000 0.000) 2.703 3.477 ( 5.400 -0.000 0.000) 5.400 4.210 ( -1.753 0.000 0.000) 1.753 4.282 ( 1.381 -0.000 0.000) 1.381 4.712 ( 7.342 -0.000 0.000) 7.342 4.943 ( -2.504 0.000 0.000) 2.504 5.183 ( 5.032 -0.000 0.000) 5.032 5.354 ( 0.225 -0.000 0.000) 0.225 5.388 ( -0.818 0.000 0.000) 0.818 5.744 ( -0.224 0.000 0.000) 0.224 5.799 ( -0.725 0.000 0.000) 0.725 5.815 ( -1.148 0.000 0.000) 1.148 5.819 ( 0.198 -0.000 0.000) 0.198 5.983 ( -1.813 0.000 0.000) 1.813 6.030 ( 4.727 -0.000 0.000) 4.727 6.044 ( -3.353 0.000 0.000) 3.353 6.232 ( -5.134 0.000 0.000) 5.134 6.480 ( 6.828 -0.000 0.000) 6.828 6.608 ( -0.139 0.000 0.000) 0.139 6.654 ( 0.760 -0.000 0.000) 0.760 6.817 ( -6.753 0.000 0.000) 6.753 6.895 ( 1.616 -0.000 0.000) 1.616 6.935 ( -0.026 0.000 0.000) 0.026 7.257 ( -0.005 0.000 0.000) 0.005 7.290 ( 0.767 -0.000 0.000) 0.767 7.493 ( 0.763 -0.000 0.000) 0.763 7.840 ( 0.303 -0.000 0.000) 0.303 7.845 ( 0.472 -0.000 0.000) 0.472 8.764 ( -0.740 0.000 0.000) 0.740 9.000 ( 0.294 -0.000 0.000) 0.294 9.916 ( 0.015 -0.000 0.000) 0.015 13.349 ( -0.167 0.000 0.000) 0.167 13.352 ( 0.147 -0.000 0.000) 0.147 15.177 ( 0.079 -0.000 0.000) 0.079 15.189 ( -0.111 0.000 0.000) 0.111 15.203 ( -0.066 0.000 0.000) 0.066 15.204 ( 0.072 -0.000 0.000) 0.072 15.301 ( 0.004 -0.000 0.000) 0.004 17.006 ( -0.020 0.000 0.000) 0.020 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 15.082 -9.043 0.000) 17.585 0.897 ( 13.947 -11.349 0.000) 17.981 1.435 ( -1.538 -0.445 0.000) 1.601 1.486 ( -14.094 -1.600 0.000) 14.184 1.501 ( -14.091 -5.411 0.000) 15.094 1.541 ( 2.109 -0.885 0.000) 2.287 1.918 ( 24.627 -1.325 0.000) 24.662 2.178 ( 6.614 -5.778 0.000) 8.783 2.240 ( 0.884 3.240 0.000) 3.359 2.276 ( -0.833 3.978 0.000) 4.065 2.492 ( 1.926 -9.316 0.000) 9.513 2.710 ( -3.649 1.475 0.000) 3.936 2.863 ( -28.589 -1.864 0.000) 28.650 3.260 ( 0.666 2.470 0.000) 2.558 3.282 ( 3.423 -3.708 0.000) 5.047 3.436 ( -1.828 -2.787 0.000) 3.333 3.489 ( 4.280 2.063 0.000) 4.751 4.160 ( -1.525 4.393 0.000) 4.650 4.220 ( 0.558 7.750 0.000) 7.770 4.556 ( 5.604 17.140 0.000) 18.033 4.947 ( -1.378 -3.072 0.000) 3.367 5.272 ( 3.904 -7.266 0.000) 8.249 5.356 ( 0.225 -0.045 0.000) 0.230 5.407 ( -0.478 -3.859 0.000) 3.889 5.779 ( -0.349 1.461 0.000) 1.502 5.792 ( -0.242 -1.605 0.000) 1.623 5.800 ( -0.992 1.028 0.000) 1.428 5.915 ( -0.872 4.216 0.000) 4.305 6.044 ( -2.062 -1.292 0.000) 2.434 6.051 ( 5.156 1.254 0.000) 5.306 6.163 ( -4.502 -28.973 0.000) 29.321 6.191 ( -5.113 0.924 0.000) 5.196 6.541 ( 6.422 -1.696 0.000) 6.642 6.625 ( 0.056 -2.150 0.000) 2.151 6.685 ( 0.296 -2.695 0.000) 2.711 6.777 ( -6.012 -0.462 0.000) 6.030 6.906 ( 0.191 -0.374 0.000) 0.420 6.987 ( 0.464 -6.943 0.000) 6.958 7.213 ( -0.018 4.924 0.000) 4.924 7.307 ( 1.026 -1.398 0.000) 1.734 7.518 ( 0.576 -2.036 0.000) 2.116 7.817 ( -0.215 3.302 0.000) 3.309 7.825 ( 0.558 1.888 0.000) 1.969 8.762 ( -0.066 -0.172 0.000) 0.185 8.959 ( -0.393 4.660 0.000) 4.677 9.697 ( 1.910 21.759 0.000) 21.843 13.369 ( 0.211 -1.734 0.000) 1.747 13.379 ( -0.161 -3.173 0.000) 3.177 15.140 ( -0.004 2.436 0.000) 2.436 15.169 ( -0.603 2.107 0.000) 2.191 15.180 ( 0.007 -0.336 0.000) 0.336 15.276 ( -0.031 -4.993 0.000) 4.993 15.394 ( -0.656 -7.629 0.000) 7.657 16.837 ( 2.232 17.493 0.000) 17.635 ======================= Grid point 32 (22/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 15.404 -10.400 0.000) 18.587 1.209 ( 8.840 -12.134 0.000) 15.013 1.428 ( -15.987 -3.206 0.000) 16.306 1.437 ( 1.530 -1.797 0.000) 2.360 1.553 ( -11.974 -8.956 0.000) 14.953 1.567 ( 0.888 -0.824 0.000) 1.211 1.927 ( 1.619 5.121 0.000) 5.370 2.168 ( 1.222 5.188 0.000) 5.330 2.251 ( -0.453 -2.495 0.000) 2.536 2.487 ( 20.446 -13.309 0.000) 24.396 2.624 ( 0.739 2.488 0.000) 2.595 2.711 ( -2.388 -10.404 0.000) 10.675 2.770 ( -20.056 -5.100 0.000) 20.694 3.211 ( -0.993 1.874 0.000) 2.121 3.384 ( 1.670 -5.365 0.000) 5.619 3.464 ( 2.763 3.295 0.000) 4.300 3.500 ( -0.274 -5.146 0.000) 5.153 4.017 ( -0.362 14.558 0.000) 14.563 4.029 ( -1.317 9.197 0.000) 9.291 4.269 ( 2.048 17.031 0.000) 17.153 5.021 ( -0.613 -5.563 0.000) 5.597 5.356 ( 0.154 0.293 0.000) 0.331 5.473 ( 4.494 -8.674 0.000) 9.769 5.526 ( -2.356 -12.848 0.000) 13.062 5.746 ( -0.345 2.014 0.000) 2.043 5.768 ( -0.170 1.919 0.000) 1.926 5.812 ( 0.624 4.071 0.000) 4.118 5.829 ( -0.661 -0.168 0.000) 0.682 6.041 ( 3.794 3.919 0.000) 5.454 6.053 ( -1.017 -0.883 0.000) 1.347 6.142 ( -3.915 0.418 0.000) 3.938 6.519 ( -2.208 -11.045 0.000) 11.264 6.613 ( 4.135 -1.860 0.000) 4.534 6.698 ( -0.392 -5.877 0.000) 5.890 6.741 ( -0.214 -3.203 0.000) 3.210 6.759 ( -3.397 -1.089 0.000) 3.567 6.912 ( -0.583 -0.735 0.000) 0.938 7.083 ( -0.165 9.397 0.000) 9.398 7.263 ( 1.068 -23.610 0.000) 23.634 7.351 ( 1.056 -2.472 0.000) 2.688 7.559 ( 0.283 -1.346 0.000) 1.375 7.733 ( -1.224 4.770 0.000) 4.924 7.782 ( 0.689 3.380 0.000) 3.450 8.772 ( 0.834 -0.601 0.000) 1.028 8.831 ( -1.222 8.688 0.000) 8.774 9.268 ( 0.985 24.729 0.000) 24.749 13.412 ( 0.200 -2.755 0.000) 2.762 13.446 ( 0.033 -3.963 0.000) 3.963 15.108 ( 0.012 1.202 0.000) 1.203 15.133 ( -0.452 1.421 0.000) 1.491 15.193 ( -0.096 -1.357 0.000) 1.360 15.375 ( 0.010 -6.001 0.000) 6.001 15.515 ( -0.642 -5.739 0.000) 5.775 16.467 ( 2.003 24.038 0.000) 24.121 ======================= Grid point 33 (23/125) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -0.000 2.774 0.000) 2.774 1.360 ( 0.000 -1.375 0.000) 1.375 1.480 ( 0.000 -11.075 0.000) 11.075 1.598 ( 0.000 -4.031 0.000) 4.031 1.616 ( 0.000 -10.439 0.000) 10.439 1.653 ( 0.000 -8.475 0.000) 8.475 1.824 ( -0.000 6.722 0.000) 6.722 2.124 ( 0.000 -1.378 0.000) 1.378 2.345 ( 0.000 -7.632 0.000) 7.632 2.543 ( -0.000 5.075 0.000) 5.075 2.687 ( -0.000 2.681 0.000) 2.681 2.881 ( 0.000 -16.508 0.000) 16.508 2.913 ( 0.000 -11.066 0.000) 11.066 3.221 ( 0.000 -4.243 0.000) 4.243 3.407 ( -0.000 4.076 0.000) 4.076 3.481 ( 0.000 -4.712 0.000) 4.712 3.605 ( 0.000 -4.420 0.000) 4.420 3.720 ( -0.000 15.682 0.000) 15.682 3.820 ( -0.000 13.060 0.000) 13.060 3.977 ( -0.000 16.257 0.000) 16.257 5.127 ( 0.000 -6.116 0.000) 6.116 5.344 ( -0.000 1.209 0.000) 1.209 5.611 ( 0.000 -6.779 0.000) 6.779 5.709 ( -0.000 1.734 0.000) 1.734 5.715 ( -0.000 5.063 0.000) 5.063 5.733 ( -0.000 1.829 0.000) 1.829 5.827 ( 0.000 -16.513 0.000) 16.513 5.854 ( 0.000 -3.432 0.000) 3.432 5.949 ( -0.000 7.187 0.000) 7.187 6.064 ( 0.000 -0.749 0.000) 0.749 6.135 ( 0.000 -0.541 0.000) 0.541 6.627 ( 0.000 -4.063 0.000) 4.063 6.637 ( -0.000 1.604 0.000) 1.604 6.764 ( 0.000 -0.083 0.000) 0.083 6.784 ( 0.000 -1.548 0.000) 1.548 6.803 ( 0.000 -5.776 0.000) 5.776 6.887 ( -0.000 11.237 0.000) 11.237 6.943 ( 0.000 -3.106 0.000) 3.106 7.400 ( 0.000 -2.434 0.000) 2.434 7.515 ( -0.000 6.445 0.000) 6.445 7.679 ( -0.000 0.476 0.000) 0.476 7.710 ( -0.000 4.970 0.000) 4.970 7.746 ( 0.000 -26.622 0.000) 26.622 8.634 ( -0.000 11.967 0.000) 11.967 8.804 ( 0.000 -2.092 0.000) 2.092 8.892 ( -0.000 16.220 0.000) 16.220 13.462 ( 0.000 -2.403 0.000) 2.403 13.506 ( 0.000 -2.304 0.000) 2.304 15.097 ( 0.000 -0.005 0.000) 0.005 15.111 ( -0.000 0.973 0.000) 0.973 15.234 ( 0.000 -3.491 0.000) 3.491 15.489 ( 0.000 -6.562 0.000) 6.562 15.584 ( 0.000 -2.156 0.000) 2.156 16.042 ( -0.000 23.104 0.000) 23.104 ======================= Grid point 41 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 9.769 -0.000 0.000) 9.769 0.879 ( 10.033 -0.000 0.000) 10.033 1.370 ( -8.771 0.000 0.000) 8.771 1.385 ( -9.842 0.000 0.000) 9.842 1.426 ( -1.510 0.000 0.000) 1.510 1.555 ( 1.843 -0.000 0.000) 1.843 2.125 ( -1.184 0.000 0.000) 1.184 2.143 ( 37.360 -0.000 0.000) 37.360 2.312 ( -0.222 0.000 0.000) 0.222 2.314 ( 0.928 -0.000 0.000) 0.928 2.372 ( 0.111 -0.000 0.000) 0.111 2.622 ( -34.718 0.000 0.000) 34.718 2.710 ( -1.590 0.000 0.000) 1.590 3.262 ( 1.621 -0.000 0.000) 1.621 3.293 ( 0.843 -0.000 0.000) 0.843 3.400 ( -1.037 0.000 0.000) 1.037 3.529 ( 2.127 -0.000 0.000) 2.127 4.192 ( -0.763 0.000 0.000) 0.763 4.295 ( 0.534 -0.000 0.000) 0.534 4.781 ( 3.036 -0.000 0.000) 3.036 4.912 ( -1.738 0.000 0.000) 1.738 5.242 ( 3.153 -0.000 0.000) 3.153 5.356 ( 0.078 -0.000 0.000) 0.078 5.372 ( -1.260 0.000 0.000) 1.260 5.742 ( -0.083 0.000 0.000) 0.083 5.792 ( -0.284 0.000 0.000) 0.284 5.802 ( -0.596 0.000 0.000) 0.596 5.821 ( 0.089 -0.000 0.000) 0.089 5.965 ( -0.761 0.000 0.000) 0.761 6.012 ( -1.302 0.000 0.000) 1.302 6.095 ( 4.824 -0.000 0.000) 4.824 6.168 ( -4.598 0.000 0.000) 4.598 6.567 ( 5.463 -0.000 0.000) 5.463 6.607 ( -0.055 0.000 0.000) 0.055 6.661 ( 0.259 -0.000 0.000) 0.259 6.731 ( -5.416 0.000 0.000) 5.416 6.907 ( 0.363 -0.000 0.000) 0.363 6.935 ( -0.010 0.000 0.000) 0.010 7.257 ( -0.018 0.000 0.000) 0.018 7.297 ( 0.274 -0.000 0.000) 0.274 7.501 ( 0.294 -0.000 0.000) 0.294 7.843 ( 0.119 -0.000 0.000) 0.119 7.850 ( 0.189 -0.000 0.000) 0.189 8.760 ( -0.064 0.000 0.000) 0.064 9.001 ( -0.050 0.000 0.000) 0.050 9.916 ( 0.006 -0.000 0.000) 0.006 13.347 ( -0.066 0.000 0.000) 0.066 13.353 ( 0.058 -0.000 0.000) 0.058 15.177 ( 0.033 -0.000 0.000) 0.033 15.188 ( -0.046 0.000 0.000) 0.046 15.203 ( -0.026 0.000 0.000) 0.026 15.205 ( 0.029 -0.000 0.000) 0.029 15.301 ( 0.001 -0.000 0.000) 0.001 17.006 ( -0.008 0.000 0.000) 0.008 ======================= Grid point 42 (25/125) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 0.000 -11.314 0.000) 11.314 1.017 ( 0.000 -10.363 0.000) 10.363 1.354 ( 0.000 -0.261 0.000) 0.261 1.384 ( 0.000 -4.969 0.000) 4.969 1.425 ( 0.000 -0.414 0.000) 0.414 1.564 ( 0.000 -0.230 0.000) 0.230 2.044 ( -0.000 6.429 0.000) 6.429 2.250 ( -0.000 2.641 0.000) 2.641 2.267 ( -0.000 4.534 0.000) 4.534 2.419 ( 0.000 -6.914 0.000) 6.914 2.506 ( 0.000 -10.016 0.000) 10.016 2.512 ( 0.000 -8.365 0.000) 8.365 2.684 ( -0.000 2.296 0.000) 2.296 3.266 ( -0.000 3.037 0.000) 3.037 3.304 ( 0.000 -3.839 0.000) 3.839 3.424 ( 0.000 -2.946 0.000) 2.946 3.519 ( -0.000 1.831 0.000) 1.831 4.149 ( -0.000 4.543 0.000) 4.543 4.223 ( -0.000 8.081 0.000) 8.081 4.592 ( -0.000 17.366 0.000) 17.366 4.937 ( 0.000 -3.357 0.000) 3.357 5.301 ( 0.000 -7.493 0.000) 7.493 5.357 ( 0.000 -0.089 0.000) 0.089 5.402 ( 0.000 -3.739 0.000) 3.739 5.778 ( -0.000 1.418 0.000) 1.418 5.790 ( 0.000 -2.045 0.000) 2.045 5.792 ( -0.000 0.912 0.000) 0.912 5.910 ( -0.000 4.614 0.000) 4.614 6.030 ( 0.000 -1.363 0.000) 1.363 6.120 ( 0.000 -0.255 0.000) 0.255 6.122 ( -0.000 2.573 0.000) 2.573 6.134 ( 0.000 -27.627 0.000) 27.627 6.601 ( 0.000 -1.331 0.000) 1.331 6.625 ( 0.000 -2.187 0.000) 2.187 6.687 ( 0.000 -2.569 0.000) 2.569 6.720 ( 0.000 -1.080 0.000) 1.080 6.907 ( -0.000 0.054 0.000) 0.054 6.990 ( 0.000 -7.310 0.000) 7.310 7.213 ( -0.000 4.935 0.000) 4.935 7.314 ( 0.000 -1.735 0.000) 1.735 7.521 ( 0.000 -2.048 0.000) 2.048 7.816 ( -0.000 3.723 0.000) 3.723 7.828 ( -0.000 1.651 0.000) 1.651 8.763 ( 0.000 -0.374 0.000) 0.374 8.956 ( -0.000 4.994 0.000) 4.994 9.709 ( -0.000 20.977 0.000) 20.977 13.370 ( 0.000 -1.802 0.000) 1.802 13.378 ( 0.000 -3.189 0.000) 3.189 15.140 ( -0.000 2.428 0.000) 2.428 15.165 ( -0.000 2.337 0.000) 2.337 15.180 ( 0.000 -0.294 0.000) 0.294 15.276 ( 0.000 -4.988 0.000) 4.988 15.390 ( 0.000 -7.257 0.000) 7.257 16.851 ( -0.000 16.360 0.000) 16.360 ======================= Grid point 85 (26/125) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 0.000 0.000 16.760) 16.760 0.445 ( 0.000 0.000 21.678) 21.678 0.779 ( 0.000 0.000 37.712) 37.712 1.382 ( 0.000 0.000 0.625) 0.625 1.545 ( 0.000 0.000 2.721) 2.721 1.990 ( 0.000 0.000 -0.417) 0.417 1.998 ( 0.000 0.000 -1.435) 1.435 2.264 ( 0.000 0.000 -1.606) 1.606 2.279 ( 0.000 0.000 0.942) 0.942 2.298 ( 0.000 0.000 3.007) 3.007 2.445 ( 0.000 0.000 6.900) 6.900 2.842 ( 0.000 0.000 -1.921) 1.921 3.109 ( 0.000 0.000 -6.203) 6.203 3.209 ( 0.000 0.000 2.302) 2.302 3.346 ( 0.000 0.000 4.252) 4.252 3.490 ( 0.000 0.000 -3.372) 3.372 3.519 ( 0.000 0.000 1.227) 1.227 3.977 ( 0.000 0.000 -2.960) 2.960 4.171 ( 0.000 0.000 -8.638) 8.638 4.174 ( 0.000 0.000 -6.015) 6.015 5.020 ( 0.000 0.000 4.408) 4.408 5.145 ( 0.000 0.000 9.091) 9.091 5.395 ( 0.000 0.000 1.660) 1.660 5.712 ( 0.000 0.000 -3.060) 3.060 5.801 ( 0.000 0.000 -1.203) 1.203 5.807 ( 0.000 0.000 0.222) 0.222 5.818 ( 0.000 0.000 -0.292) 0.292 5.965 ( 0.000 0.000 -4.145) 4.145 5.980 ( 0.000 0.000 -0.768) 0.768 5.982 ( 0.000 0.000 -0.787) 0.787 6.177 ( 0.000 0.000 1.704) 1.704 6.323 ( 0.000 0.000 -4.977) 4.977 6.603 ( 0.000 0.000 0.974) 0.974 6.664 ( 0.000 0.000 5.477) 5.477 6.671 ( 0.000 0.000 3.950) 3.950 6.802 ( 0.000 0.000 -0.197) 0.197 6.953 ( 0.000 0.000 1.793) 1.793 7.272 ( 0.000 0.000 1.497) 1.497 7.288 ( 0.000 0.000 3.095) 3.095 7.308 ( 0.000 0.000 2.963) 2.963 7.423 ( 0.000 0.000 -4.309) 4.309 7.820 ( 0.000 0.000 -1.065) 1.065 8.032 ( 0.000 0.000 -1.765) 1.765 8.837 ( 0.000 0.000 0.333) 0.333 8.897 ( 0.000 0.000 -5.582) 5.582 9.056 ( 0.000 0.000 -0.919) 0.919 13.367 ( 0.000 0.000 1.861) 1.861 13.374 ( 0.000 0.000 1.887) 1.887 15.137 ( 0.000 0.000 -2.316) 2.316 15.177 ( 0.000 0.000 0.396) 0.396 15.279 ( 0.000 0.000 -2.020) 2.020 15.290 ( 0.000 0.000 5.170) 5.170 15.918 ( 0.000 0.000 -5.508) 5.508 15.935 ( 0.000 0.000 -1.890) 1.890 ======================= Grid point 86 (27/125) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 4.615 -8.200 12.875) 15.947 0.492 ( 8.061 -9.954 11.502) 17.215 1.112 ( 6.430 -24.520 26.400) 36.599 1.394 ( 1.461 -0.899 -0.768) 1.879 1.559 ( -0.095 -1.892 4.043) 4.465 1.901 ( -2.546 0.901 -1.857) 3.278 2.092 ( -3.662 -4.183 -1.104) 5.668 2.240 ( -2.161 0.835 0.593) 2.392 2.267 ( -0.716 -0.222 -0.394) 0.847 2.380 ( -2.781 2.085 4.828) 5.949 2.410 ( 1.038 -4.681 2.136) 5.249 2.845 ( -1.332 -0.826 -2.140) 2.653 3.004 ( 1.537 4.526 -5.087) 6.980 3.232 ( -2.304 2.145 0.812) 3.251 3.282 ( 2.700 6.867 1.672) 7.565 3.493 ( -0.984 -0.987 -2.915) 3.231 3.562 ( 3.038 -0.951 0.177) 3.189 3.978 ( 4.706 1.772 -2.336) 5.544 4.149 ( -0.510 2.634 -4.715) 5.425 4.166 ( 0.768 1.164 -5.834) 5.999 5.071 ( -0.738 -5.812 4.538) 7.410 5.171 ( 1.865 -2.314 8.300) 8.816 5.404 ( 0.426 -2.923 2.201) 3.683 5.605 ( -1.056 4.393 10.360) 11.302 5.768 ( -1.232 2.530 -0.595) 2.876 5.787 ( 1.013 1.678 -0.765) 2.104 5.817 ( -0.708 0.004 0.062) 0.711 5.937 ( -0.521 2.647 -3.272) 4.241 5.975 ( -0.318 0.542 -0.530) 0.822 6.169 ( -2.041 -1.778 -0.649) 2.784 6.193 ( 1.339 -4.716 -4.038) 6.351 6.352 ( -1.000 -5.876 -6.682) 8.954 6.609 ( -0.848 -1.159 0.861) 1.675 6.701 ( -0.367 -2.944 4.027) 5.002 6.740 ( -3.655 -9.100 -1.887) 9.987 6.803 ( 1.324 0.376 -0.191) 1.390 6.970 ( 0.159 -2.012 1.123) 2.309 7.216 ( -6.006 3.348 6.919) 9.755 7.250 ( 0.333 4.410 3.910) 5.904 7.261 ( 0.714 1.532 1.784) 2.458 7.441 ( 0.537 -1.670 -4.253) 4.600 7.785 ( -0.174 3.437 -1.143) 3.626 7.979 ( -9.300 0.125 0.107) 9.301 8.812 ( -1.865 1.582 -0.685) 2.540 8.880 ( 1.897 2.913 -5.173) 6.233 9.080 ( 14.325 5.701 -4.526) 16.068 13.380 ( 0.785 -1.151 1.897) 2.353 13.393 ( 0.035 -1.958 1.975) 2.781 15.180 ( -0.025 -0.437 0.169) 0.469 15.198 ( -0.968 -2.377 -1.595) 3.022 15.254 ( -0.472 -0.667 2.684) 2.806 15.262 ( -1.197 1.679 0.434) 2.107 15.732 ( -20.676 -1.729 2.119) 20.856 16.078 ( 28.318 9.551 -10.486) 31.672 ======================= Grid point 87 (28/125) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 5.915 -13.201 4.712) 15.214 0.777 ( 8.651 -15.814 1.043) 18.055 1.419 ( 0.379 -2.200 -2.292) 3.200 1.530 ( -2.569 -11.196 7.591) 13.769 1.675 ( 8.554 -13.078 11.396) 19.341 1.884 ( -3.322 0.018 -5.351) 6.299 2.130 ( -2.927 -1.299 0.595) 3.257 2.194 ( -7.695 0.557 3.728) 8.569 2.263 ( 0.346 -0.792 0.259) 0.902 2.283 ( -0.686 1.939 4.590) 5.030 2.562 ( -2.281 -8.787 -3.493) 9.727 2.862 ( -4.114 -3.589 -3.885) 6.701 2.956 ( 1.802 4.960 -9.344) 10.732 3.097 ( 3.060 9.689 -1.854) 10.329 3.218 ( 7.052 3.475 -0.053) 7.862 3.494 ( -1.180 0.479 -3.434) 3.662 3.588 ( -4.492 -3.163 4.039) 6.818 3.957 ( 6.258 4.912 0.181) 7.957 4.066 ( -1.042 6.288 0.645) 6.407 4.134 ( -0.223 2.718 -0.814) 2.845 5.177 ( -2.458 -5.894 6.848) 9.363 5.271 ( 4.617 -6.699 4.224) 9.168 5.492 ( 0.069 -2.107 9.050) 9.293 5.582 ( -1.345 -6.413 3.085) 7.242 5.709 ( -0.445 3.040 -1.678) 3.500 5.762 ( 1.720 1.772 -0.266) 2.484 5.809 ( -1.327 0.076 0.848) 1.577 5.880 ( -0.190 3.216 0.684) 3.293 5.958 ( -0.180 0.996 0.783) 1.280 6.160 ( -2.129 0.094 1.253) 2.472 6.209 ( 1.657 1.689 0.437) 2.406 6.478 ( -0.582 -6.816 -6.618) 9.518 6.630 ( -0.726 -1.621 0.248) 1.794 6.752 ( -0.804 -2.727 3.505) 4.513 6.798 ( 1.215 1.220 -0.100) 1.725 6.881 ( -5.239 -7.291 -4.175) 9.901 7.031 ( 3.421 -2.126 -1.593) 4.331 7.117 ( -2.142 5.813 5.124) 8.039 7.199 ( -0.229 -0.474 1.912) 1.983 7.250 ( 3.133 -0.594 2.641) 4.141 7.478 ( 1.022 -1.320 -4.205) 4.525 7.711 ( 0.032 4.301 -1.444) 4.537 7.932 ( -7.435 -1.447 -0.718) 7.609 8.764 ( -1.287 2.352 -1.853) 3.259 8.806 ( 0.915 6.576 -5.156) 8.406 9.021 ( 4.713 7.246 -3.911) 9.488 13.417 ( 0.915 -2.351 2.184) 3.337 13.441 ( 0.602 -2.932 1.897) 3.543 15.160 ( -1.584 2.072 3.149) 4.089 15.197 ( -0.181 -1.588 -0.291) 1.625 15.217 ( -1.464 2.126 0.701) 2.675 15.348 ( 0.027 -6.411 -1.667) 6.624 15.665 ( -7.065 0.338 -0.336) 7.081 16.003 ( 13.960 12.909 -7.630) 20.487 ======================= Grid point 88 (29/125) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 7.284 -9.645 2.916) 12.433 1.132 ( 6.177 -16.797 -3.087) 18.161 1.437 ( -2.384 -0.270 -3.131) 3.945 1.629 ( -2.867 -5.410 5.749) 8.399 1.797 ( 0.258 3.689 -2.821) 4.651 1.915 ( 0.888 0.795 2.159) 2.466 2.099 ( -6.092 -4.137 -0.401) 7.375 2.167 ( -8.068 -2.507 -1.728) 8.623 2.232 ( 1.665 3.891 0.312) 4.244 2.462 ( 4.289 -15.413 8.796) 18.257 2.658 ( -6.240 -5.656 -7.943) 11.577 2.781 ( 0.894 12.134 -5.794) 13.476 2.895 ( -0.233 0.550 -10.100) 10.117 3.070 ( 3.425 -5.202 -5.079) 8.037 3.245 ( 11.205 1.552 -4.476) 12.166 3.457 ( -0.471 2.801 -4.197) 5.068 3.624 ( -6.186 -4.524 7.339) 10.611 3.886 ( 2.364 6.334 5.602) 8.780 3.913 ( 0.078 9.184 6.576) 11.296 4.062 ( -2.218 4.401 5.529) 7.407 5.255 ( -1.258 -4.536 7.327) 8.709 5.408 ( 1.174 -2.563 5.618) 6.286 5.504 ( 1.259 -4.336 5.171) 6.864 5.665 ( 0.848 1.764 -1.091) 2.240 5.714 ( 0.589 -0.539 -0.161) 0.815 5.791 ( 0.320 -1.687 -0.270) 1.738 5.799 ( -0.004 -0.171 2.005) 2.012 5.847 ( 0.268 -2.899 2.000) 3.532 5.958 ( -0.602 -4.477 3.860) 5.942 6.146 ( -1.755 -0.195 1.105) 2.083 6.183 ( 0.970 2.175 1.411) 2.768 6.583 ( -0.409 -5.192 -3.949) 6.536 6.655 ( -0.441 -1.329 -0.457) 1.473 6.771 ( 0.366 2.295 0.190) 2.332 6.780 ( -0.262 -0.171 2.610) 2.629 6.852 ( -1.930 8.582 0.312) 8.802 7.008 ( -4.262 -2.066 0.560) 4.769 7.091 ( -1.230 -0.279 2.447) 2.753 7.222 ( 5.702 -0.470 -0.849) 5.784 7.358 ( 5.676 -4.464 -2.556) 7.661 7.489 ( 1.420 0.310 -3.956) 4.214 7.644 ( -0.253 2.994 -1.888) 3.549 7.969 ( -5.142 -8.259 -2.169) 9.968 8.652 ( -0.950 10.581 -5.247) 11.849 8.721 ( 1.031 2.041 -2.518) 3.402 8.901 ( -2.549 6.293 -3.177) 7.496 13.471 ( 0.812 -2.807 2.289) 3.712 13.496 ( 0.891 -2.405 1.903) 3.193 15.126 ( -1.094 0.793 2.190) 2.573 15.168 ( -0.974 2.030 1.474) 2.691 15.248 ( -0.700 -4.361 -1.262) 4.594 15.460 ( 0.377 -5.842 -1.230) 5.982 15.603 ( 0.184 4.576 -1.898) 4.958 15.835 ( 4.104 11.456 -4.743) 13.061 ======================= Grid point 89 (30/125) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( 7.059 -7.152 0.658) 10.070 1.305 ( -5.323 2.471 -1.318) 6.015 1.508 ( 4.303 -11.074 -1.686) 12.000 1.671 ( -0.761 2.209 2.589) 3.488 1.761 ( -1.319 -1.679 0.216) 2.145 1.827 ( 0.521 6.102 0.806) 6.177 2.096 ( -12.224 -4.283 -0.471) 12.961 2.141 ( 5.982 6.819 0.581) 9.089 2.283 ( -2.457 -10.320 -7.156) 12.797 2.479 ( 0.294 11.759 -7.292) 13.839 2.713 ( -8.802 -6.527 -10.978) 15.511 2.763 ( 9.331 3.487 -5.334) 11.299 2.967 ( 3.708 -13.024 -2.625) 13.793 3.192 ( 3.149 5.358 -0.781) 6.264 3.265 ( -1.519 -7.113 -12.177) 14.184 3.397 ( 3.488 5.811 -6.075) 9.101 3.650 ( -5.174 -2.868 8.621) 10.455 3.725 ( 0.526 8.146 10.020) 12.924 3.864 ( 2.888 -1.206 12.842) 13.218 3.954 ( -3.267 5.198 11.471) 13.011 5.325 ( -0.050 -3.748 6.711) 7.686 5.386 ( -0.761 2.648 6.991) 7.514 5.649 ( 1.294 -7.405 -0.026) 7.517 5.661 ( 1.420 -0.689 0.570) 1.678 5.693 ( -0.365 1.678 1.107) 2.043 5.762 ( 1.245 4.145 0.054) 4.328 5.797 ( -0.996 -1.550 3.121) 3.625 5.840 ( -0.062 3.120 2.786) 4.184 6.130 ( -0.670 -2.034 1.469) 2.597 6.150 ( 0.298 1.569 1.331) 2.079 6.225 ( -0.227 -16.792 2.707) 17.011 6.533 ( -0.535 14.723 1.310) 14.791 6.680 ( 1.341 -2.968 -1.483) 3.579 6.725 ( -0.174 -0.435 0.641) 0.794 6.739 ( -0.650 1.312 -0.215) 1.480 6.773 ( -0.513 1.913 1.206) 2.319 7.037 ( -4.143 -3.452 1.029) 5.490 7.071 ( 0.948 2.062 1.486) 2.712 7.288 ( 4.598 -2.686 -2.195) 5.759 7.366 ( -1.025 3.390 -3.447) 4.942 7.541 ( 4.545 -2.391 -3.555) 6.246 7.597 ( -2.147 1.660 -2.694) 3.824 8.160 ( -0.603 -14.031 -3.922) 14.581 8.421 ( -1.622 13.801 -4.932) 14.745 8.718 ( 4.058 -0.106 -2.775) 4.917 8.782 ( -5.377 3.543 -2.869) 7.050 13.518 ( 0.255 -1.721 2.186) 2.794 13.529 ( 0.522 -0.498 2.016) 2.141 15.117 ( -0.407 -0.390 1.723) 1.813 15.133 ( -0.295 1.368 1.680) 2.187 15.349 ( -2.122 -7.952 -2.397) 8.573 15.490 ( 3.530 8.973 -3.014) 10.102 15.565 ( 1.408 -5.125 -1.072) 5.422 15.677 ( -1.586 6.671 -2.018) 7.147 ======================= Grid point 95 (31/125) ======================= q-point: ( 0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 11.326 -0.000 13.915) 17.942 0.504 ( 8.557 -0.000 19.438) 21.238 0.930 ( 21.564 -0.000 29.313) 36.390 1.403 ( 3.047 -0.000 0.584) 3.102 1.536 ( -1.163 0.000 3.263) 3.465 1.940 ( -8.191 0.000 1.995) 8.431 1.943 ( -7.231 0.000 1.003) 7.300 2.258 ( -1.189 0.000 1.589) 1.984 2.265 ( -1.626 0.000 0.222) 1.641 2.280 ( -1.873 0.000 -1.420) 2.351 2.440 ( -1.048 0.000 6.239) 6.326 2.832 ( -1.512 0.000 -1.099) 1.869 3.068 ( -0.742 0.000 -2.893) 2.986 3.229 ( 2.793 -0.000 2.676) 3.868 3.367 ( 3.251 -0.000 3.648) 4.886 3.468 ( -2.503 0.000 -3.056) 3.950 3.587 ( -3.350 0.000 -8.289) 8.940 4.066 ( 15.604 -0.000 -7.566) 17.341 4.168 ( -0.466 0.000 -8.256) 8.269 4.184 ( 1.466 -0.000 -5.685) 5.871 5.015 ( -0.364 0.000 5.521) 5.533 5.160 ( 1.838 -0.000 7.671) 7.888 5.400 ( 0.681 -0.000 1.851) 1.972 5.711 ( -0.157 0.000 -3.211) 3.214 5.784 ( -5.582 0.000 1.663) 5.824 5.802 ( 0.103 -0.000 -1.052) 1.057 5.808 ( -0.020 0.000 -0.589) 0.590 5.929 ( -4.045 0.000 2.850) 4.949 5.975 ( -0.622 0.000 -0.683) 0.923 5.979 ( -0.012 0.000 -1.308) 1.308 6.167 ( -1.407 0.000 2.455) 2.829 6.310 ( -1.880 0.000 -4.126) 4.534 6.566 ( -5.262 0.000 7.926) 9.514 6.637 ( -1.458 0.000 4.346) 4.584 6.669 ( -0.277 0.000 3.368) 3.380 6.820 ( 2.538 -0.000 -0.351) 2.562 6.946 ( -1.146 0.000 1.518) 1.902 7.189 ( -11.306 0.000 13.637) 17.714 7.275 ( 0.296 -0.000 1.095) 1.135 7.293 ( 0.066 -0.000 3.513) 3.513 7.428 ( 0.768 -0.000 -4.199) 4.269 7.817 ( -0.368 0.000 -1.502) 1.546 7.896 ( -9.171 0.000 3.847) 9.945 8.807 ( -3.089 0.000 -0.897) 3.216 8.924 ( 2.773 -0.000 -4.145) 4.987 9.332 ( 24.284 -0.000 -23.403) 33.726 13.373 ( -0.215 0.000 1.838) 1.851 13.377 ( 1.018 -0.000 2.129) 2.360 15.137 ( -0.077 0.000 -2.313) 2.314 15.178 ( 0.113 -0.000 0.431) 0.446 15.248 ( -4.199 0.000 -1.379) 4.419 15.290 ( -0.048 0.000 5.166) 5.167 15.555 ( -15.473 0.000 12.608) 19.960 16.418 ( 29.151 -0.000 -26.530) 39.416 ======================= Grid point 96 (32/125) ======================= q-point: ( 0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 11.383 -7.166 10.344) 16.969 0.648 ( 13.855 -8.049 9.644) 18.702 1.269 ( 16.149 -15.622 17.005) 28.178 1.425 ( 2.709 -0.325 -0.944) 2.887 1.570 ( 3.165 -4.921 7.205) 9.281 1.830 ( -8.481 0.033 -0.277) 8.486 1.991 ( -11.714 -6.124 2.865) 13.525 2.201 ( -3.014 2.332 -0.152) 3.814 2.251 ( -1.420 -0.203 0.496) 1.518 2.339 ( -2.730 1.053 1.390) 3.240 2.422 ( 0.659 -3.904 1.844) 4.368 2.814 ( -3.081 0.319 -1.118) 3.293 3.045 ( 4.515 2.966 -6.292) 8.293 3.228 ( 1.028 3.174 2.856) 4.391 3.335 ( 5.640 4.754 0.666) 7.406 3.466 ( -4.406 -1.225 -2.377) 5.154 3.521 ( -8.716 -0.279 -1.444) 8.840 4.106 ( 10.405 5.213 -5.773) 12.991 4.148 ( 2.224 3.219 -6.295) 7.412 4.180 ( 1.699 1.927 -4.117) 4.853 5.061 ( -0.485 -4.832 6.449) 8.073 5.206 ( 3.148 -3.769 6.151) 7.871 5.415 ( 1.061 -2.794 2.287) 3.763 5.579 ( -2.851 4.539 11.399) 12.596 5.753 ( -1.008 2.049 -2.482) 3.373 5.796 ( 0.087 1.060 -1.107) 1.535 5.800 ( -1.711 -0.302 -0.664) 1.860 5.925 ( -1.205 2.063 -2.823) 3.698 5.971 ( -0.037 0.341 -0.655) 0.739 6.141 ( -2.009 -1.757 0.535) 2.722 6.207 ( 0.756 -6.786 -2.647) 7.323 6.327 ( -2.793 -6.948 -4.344) 8.657 6.584 ( -2.693 -3.394 3.176) 5.372 6.681 ( -3.292 -7.365 4.481) 9.228 6.696 ( -0.579 -2.938 1.843) 3.516 6.831 ( 2.447 0.772 -0.329) 2.587 6.971 ( -0.281 -4.017 0.434) 4.050 7.121 ( -6.765 0.069 12.785) 14.465 7.252 ( 0.027 4.438 3.575) 5.699 7.272 ( 0.951 0.514 1.109) 1.549 7.452 ( 1.086 -1.819 -4.072) 4.591 7.782 ( -0.280 3.188 -2.013) 3.781 7.862 ( -6.557 -0.639 0.978) 6.660 8.780 ( -2.364 0.902 -1.318) 2.853 8.908 ( 1.903 3.617 -4.069) 5.767 9.293 ( 14.055 14.759 -15.734) 25.748 13.388 ( 0.104 -1.491 2.315) 2.756 13.398 ( 0.884 -1.969 1.758) 2.784 15.167 ( -3.125 -0.435 -0.955) 3.296 15.182 ( -0.117 -0.329 0.350) 0.495 15.236 ( -1.090 -2.308 -2.069) 3.285 15.257 ( -0.029 0.877 5.096) 5.171 15.555 ( -7.638 -5.538 6.227) 11.304 16.396 ( 18.828 16.262 -18.176) 30.810 ======================= Grid point 97 (33/125) ======================= q-point: ( 0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 10.848 -12.026 3.614) 16.594 0.918 ( 12.362 -12.328 2.442) 17.628 1.428 ( 0.431 0.180 -2.414) 2.458 1.506 ( -0.551 -6.078 3.859) 7.221 1.786 ( -0.577 -4.103 1.870) 4.545 1.823 ( 1.521 -8.585 3.924) 9.562 2.023 ( -13.855 -5.858 5.095) 15.882 2.121 ( -1.790 4.511 -0.476) 4.876 2.265 ( -1.700 1.360 2.277) 3.150 2.283 ( 3.316 -5.585 3.357) 7.311 2.546 ( 0.119 -5.803 -3.402) 6.728 2.799 ( -5.253 -2.815 -3.049) 6.694 2.977 ( 1.462 8.333 -7.274) 11.157 3.147 ( 4.021 4.904 -5.016) 8.086 3.338 ( 10.063 1.193 1.808) 10.293 3.443 ( -8.924 -2.432 0.404) 9.258 3.518 ( -2.812 -2.281 0.615) 3.673 4.032 ( 1.542 7.218 -0.365) 7.390 4.071 ( 4.175 7.738 -0.807) 8.830 4.128 ( -0.617 4.322 0.204) 4.371 5.151 ( -1.525 -5.540 7.986) 9.839 5.335 ( 5.064 -6.524 3.246) 8.874 5.487 ( -0.885 0.026 9.469) 9.510 5.566 ( -0.752 -9.322 1.377) 9.453 5.708 ( 0.121 2.374 -2.882) 3.736 5.778 ( -0.185 0.648 0.006) 0.674 5.791 ( -0.666 0.539 0.208) 0.882 5.875 ( -0.555 2.477 0.768) 2.652 5.960 ( 0.646 1.101 0.235) 1.298 6.131 ( -2.051 0.067 1.992) 2.860 6.225 ( 0.258 1.622 0.408) 1.692 6.473 ( 0.168 -7.171 -4.509) 8.473 6.618 ( -0.935 -1.990 0.616) 2.283 6.743 ( -0.465 -2.621 2.132) 3.410 6.791 ( -3.861 -3.346 -0.726) 5.160 6.835 ( 0.009 -1.450 0.179) 1.461 7.063 ( 0.272 -1.704 3.459) 3.865 7.091 ( -0.399 5.184 3.360) 6.190 7.204 ( 0.942 -6.038 0.996) 6.192 7.290 ( 2.849 -2.690 1.648) 4.251 7.494 ( 1.335 -1.305 -4.168) 4.567 7.714 ( 0.446 4.165 -2.670) 4.967 7.827 ( -7.673 -1.661 -0.504) 7.867 8.749 ( -0.824 1.217 -1.709) 2.254 8.814 ( 0.121 7.675 -4.675) 8.987 9.083 ( 4.190 14.111 -7.826) 16.671 13.427 ( 0.498 -2.535 2.483) 3.584 13.452 ( 1.039 -3.067 1.515) 3.576 15.131 ( -2.453 1.008 0.856) 2.787 15.194 ( -0.207 -0.784 0.447) 0.926 15.203 ( -0.621 1.666 2.407) 2.992 15.349 ( 0.051 -6.482 -1.578) 6.671 15.597 ( -3.660 -2.760 1.585) 4.850 16.170 ( 10.995 18.748 -10.759) 24.251 ======================= Grid point 98 (34/125) ======================= q-point: ( 0.44 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 10.274 -8.148 2.210) 13.298 1.228 ( 7.875 -11.639 -1.598) 14.144 1.411 ( -0.894 -0.418 -2.457) 2.648 1.603 ( -0.867 -5.688 3.505) 6.737 1.767 ( -5.531 0.430 -2.242) 5.984 1.914 ( -2.853 1.060 1.205) 3.274 1.959 ( -12.196 -0.079 2.473) 12.445 2.102 ( -1.467 -4.254 -2.458) 5.127 2.254 ( 1.381 0.523 -0.540) 1.572 2.522 ( 3.426 -8.440 -0.882) 9.152 2.605 ( -1.526 -3.533 -1.004) 3.977 2.814 ( 4.683 4.339 -3.030) 7.067 2.864 ( -3.302 -3.861 -8.720) 10.092 3.138 ( 5.875 -0.555 -9.405) 11.103 3.364 ( 4.828 4.065 -2.262) 6.705 3.441 ( -4.459 -2.919 -0.253) 5.335 3.565 ( 1.368 -3.000 3.414) 4.747 3.876 ( -1.522 9.357 7.868) 12.320 3.941 ( 1.611 7.854 3.649) 8.809 4.026 ( -3.250 5.214 7.382) 9.604 5.239 ( -1.073 -5.279 8.030) 9.670 5.414 ( -0.313 0.850 6.205) 6.271 5.535 ( 3.412 -6.429 1.534) 7.438 5.674 ( 0.326 1.377 -1.581) 2.122 5.728 ( 1.044 -1.511 -0.019) 1.837 5.758 ( -2.323 1.325 1.074) 2.882 5.837 ( 3.047 -1.165 1.282) 3.505 5.850 ( 0.263 -5.766 2.188) 6.173 5.950 ( -0.656 -3.021 2.994) 4.304 6.120 ( -1.936 -0.412 1.651) 2.577 6.187 ( -0.524 2.025 1.243) 2.433 6.585 ( 0.962 -4.493 -1.616) 4.871 6.651 ( -0.073 -2.119 0.000) 2.120 6.762 ( -0.968 0.628 0.093) 1.157 6.789 ( 0.292 0.448 0.707) 0.886 6.827 ( -1.267 5.429 0.007) 5.575 6.960 ( -2.954 2.541 3.095) 4.976 7.069 ( -2.080 -0.747 4.117) 4.672 7.296 ( 5.334 -1.367 -2.245) 5.947 7.430 ( 4.695 -0.588 -2.678) 5.436 7.516 ( 3.016 -2.951 -4.087) 5.874 7.644 ( 0.332 3.913 -3.273) 5.112 7.888 ( -7.072 -12.193 -2.027) 14.241 8.632 ( -1.882 11.218 -4.209) 12.128 8.740 ( 1.604 0.397 -3.075) 3.491 8.868 ( -2.286 9.848 -4.193) 10.945 13.479 ( 0.401 -2.668 2.394) 3.607 13.510 ( 1.055 -2.253 1.590) 2.953 15.109 ( -1.244 0.088 0.970) 1.580 15.160 ( -0.378 1.847 2.684) 3.280 15.238 ( -0.761 -3.719 -1.029) 3.933 15.465 ( 0.376 -6.276 -1.270) 6.415 15.601 ( -0.388 0.939 -0.415) 1.097 15.892 ( 4.285 17.107 -6.748) 18.883 ======================= Grid point 99 (35/125) ======================= q-point: ( 0.56 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -2.308 3.159 -0.861) 4.006 1.277 ( 7.367 -3.391 0.652) 8.136 1.577 ( 5.348 -8.723 -1.357) 10.321 1.670 ( 0.974 5.247 1.706) 5.603 1.692 ( -6.630 -2.312 -0.571) 7.045 1.849 ( -0.137 2.992 1.764) 3.476 1.937 ( -10.435 -7.481 0.621) 12.855 2.223 ( 2.211 -5.755 -3.257) 6.973 2.268 ( 4.189 -2.820 -3.259) 6.010 2.483 ( 0.252 9.812 -8.307) 12.859 2.600 ( -8.274 -4.864 -8.211) 12.631 2.878 ( 6.290 3.227 -11.456) 13.462 2.993 ( 1.921 -10.610 -3.076) 11.212 3.206 ( -0.519 10.635 1.154) 10.710 3.257 ( 0.764 -5.613 -11.221) 12.570 3.472 ( 5.622 4.584 -4.056) 8.311 3.579 ( -4.540 -2.505 5.495) 7.555 3.730 ( 0.168 5.192 11.653) 12.758 3.890 ( 0.965 -2.792 11.616) 11.986 3.911 ( -3.020 4.929 13.192) 14.402 5.324 ( -0.049 -4.503 7.740) 8.955 5.377 ( -0.688 2.319 5.735) 6.224 5.658 ( -0.344 -0.594 -0.103) 0.694 5.671 ( 0.401 -3.903 -0.682) 3.982 5.702 ( 1.648 1.838 1.450) 2.863 5.753 ( -1.526 -1.361 1.585) 2.587 5.801 ( 0.659 5.437 1.135) 5.593 5.854 ( 1.929 1.589 3.549) 4.340 6.113 ( -1.383 -1.332 1.692) 2.559 6.159 ( 0.590 0.641 1.330) 1.590 6.219 ( -0.594 -18.156 2.451) 18.330 6.524 ( -0.723 13.891 1.862) 14.034 6.695 ( 0.273 -2.458 -0.189) 2.480 6.727 ( 0.441 2.591 -0.700) 2.720 6.743 ( 1.541 -0.759 0.092) 1.720 6.773 ( 0.563 1.616 0.749) 1.868 6.978 ( -4.764 -4.827 0.831) 6.833 7.074 ( -0.384 -0.800 2.951) 3.081 7.348 ( 2.749 1.116 -2.911) 4.156 7.361 ( 1.676 4.037 -2.881) 5.235 7.560 ( -2.149 2.592 -4.393) 5.534 7.606 ( 3.936 0.054 -2.682) 4.763 8.145 ( -1.476 -17.332 -4.437) 17.952 8.396 ( -1.983 13.085 -4.174) 13.877 8.714 ( -4.268 3.434 -3.112) 6.301 8.775 ( 3.828 -1.220 -2.874) 4.940 13.517 ( -0.246 -1.191 2.175) 2.492 13.538 ( 0.660 -0.114 1.940) 2.052 15.111 ( -0.457 -0.823 1.245) 1.561 15.133 ( 0.148 0.954 2.136) 2.344 15.323 ( -1.769 -6.707 -2.030) 7.227 15.537 ( 3.352 7.685 -2.729) 8.817 15.582 ( 1.156 -5.207 -1.256) 5.480 15.653 ( -1.940 8.440 -2.535) 9.023 ======================= Grid point 100 (36/125) ======================= q-point: (-0.33 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -4.096 8.147 0.998) 9.173 1.369 ( 3.431 6.912 -2.238) 8.035 1.480 ( 0.822 5.862 -2.069) 6.270 1.657 ( -4.340 -4.320 -0.064) 6.124 1.741 ( -0.457 1.472 5.259) 5.481 1.860 ( 2.979 -4.339 -1.161) 5.390 2.067 ( -3.884 -9.926 1.394) 10.749 2.256 ( 9.908 4.229 -1.528) 10.881 2.307 ( 1.364 8.897 -7.659) 11.819 2.477 ( 0.237 -14.560 -6.743) 16.048 2.650 ( -7.085 -3.378 -3.723) 8.688 2.833 ( 8.469 7.581 -12.070) 16.580 2.903 ( -4.407 12.256 1.255) 13.084 3.109 ( -8.415 -3.362 -11.734) 14.825 3.298 ( 2.811 13.721 -6.911) 15.618 3.386 ( 0.639 -5.088 -3.670) 6.306 3.705 ( 2.560 -1.624 10.610) 11.035 3.720 ( 0.355 -10.364 9.102) 13.798 3.821 ( -3.326 2.001 13.162) 13.723 3.990 ( 2.057 -5.374 9.268) 10.909 5.325 ( -0.095 2.996 5.884) 6.604 5.396 ( 0.640 -2.857 8.615) 9.099 5.633 ( -0.892 7.751 1.117) 7.881 5.644 ( -0.925 1.556 1.053) 2.095 5.693 ( -0.822 -0.588 0.050) 1.012 5.741 ( -0.948 -2.782 1.397) 3.255 5.815 ( 1.130 -2.287 0.632) 2.628 5.850 ( 1.183 0.151 3.180) 3.397 6.121 ( -1.155 -0.098 1.001) 1.532 6.161 ( 1.298 0.114 1.883) 2.290 6.223 ( -0.380 16.149 3.232) 16.473 6.536 ( 0.003 -15.614 0.939) 15.642 6.671 ( -0.140 3.722 -3.432) 5.065 6.724 ( -0.389 0.630 0.388) 0.836 6.749 ( 0.588 -2.306 0.301) 2.399 6.791 ( 2.102 -0.660 2.159) 3.084 7.042 ( -2.552 -4.661 0.787) 5.372 7.089 ( 2.929 0.355 1.891) 3.504 7.239 ( -2.760 5.473 -1.764) 6.378 7.386 ( 2.006 1.165 -4.337) 4.918 7.483 ( -4.124 2.034 -3.819) 5.977 7.622 ( 1.532 -0.054 -1.585) 2.206 8.162 ( -0.029 11.288 -3.505) 11.819 8.435 ( 0.480 -14.448 -5.648) 15.520 8.674 ( -2.313 -1.370 -2.566) 3.716 8.846 ( 3.788 -3.319 -2.946) 5.835 13.510 ( -0.691 1.666 1.830) 2.569 13.526 ( -0.002 1.412 2.505) 2.876 15.120 ( 0.072 -0.295 2.524) 2.542 15.140 ( 0.646 -1.534 0.832) 1.861 15.374 ( 1.534 9.224 -2.766) 9.751 15.450 ( -2.384 -8.653 -2.893) 9.430 15.548 ( -1.119 4.276 -0.909) 4.512 15.694 ( 0.924 -5.799 -1.810) 6.145 ======================= Grid point 101 (37/125) ======================= q-point: (-0.22 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -2.785 10.502 3.400) 11.385 1.076 ( -2.212 19.113 -3.877) 19.627 1.462 ( 1.171 2.352 -3.761) 4.588 1.665 ( 1.967 4.416 7.107) 8.596 1.782 ( -1.180 -7.337 -2.729) 7.917 1.907 ( -0.295 4.733 3.692) 6.010 2.137 ( 1.096 4.884 -3.719) 6.235 2.198 ( -1.327 -6.048 -0.669) 6.228 2.273 ( 4.446 2.191 -0.462) 4.978 2.425 ( -1.369 15.125 10.807) 18.640 2.741 ( 4.613 6.198 -8.219) 11.280 2.787 ( 1.663 -12.795 -5.748) 14.125 2.866 ( -3.157 -6.074 -10.420) 12.467 3.060 ( 1.213 9.093 -3.955) 9.989 3.114 ( -7.436 -1.130 -6.473) 9.923 3.463 ( 0.274 -3.254 -4.228) 5.342 3.687 ( 2.925 4.630 9.175) 10.685 3.837 ( -2.997 -5.162 5.989) 8.456 3.927 ( 0.851 -10.024 5.761) 11.593 4.082 ( 0.804 -3.668 4.154) 5.599 5.269 ( 0.640 3.431 6.907) 7.739 5.392 ( -0.913 6.484 4.874) 8.163 5.497 ( -0.176 1.971 7.879) 8.124 5.659 ( -0.102 -2.322 -0.214) 2.334 5.710 ( -0.217 -1.259 -0.501) 1.372 5.763 ( -1.402 3.675 -0.276) 3.943 5.825 ( 1.589 0.896 1.857) 2.603 5.843 ( -0.475 1.683 1.351) 2.210 5.964 ( 0.259 4.786 4.076) 6.292 6.156 ( -0.264 -1.659 0.990) 1.950 6.177 ( 0.241 -0.485 1.835) 1.913 6.588 ( 0.288 5.237 -6.129) 8.067 6.660 ( 0.201 0.826 -0.808) 1.173 6.759 ( -0.614 -2.781 0.728) 2.940 6.795 ( 1.043 1.214 3.297) 3.665 6.870 ( 0.675 -10.682 1.044) 10.754 7.066 ( 4.131 5.078 -2.010) 6.847 7.098 ( -0.315 0.162 0.951) 1.014 7.156 ( -3.785 -1.593 1.283) 4.302 7.298 ( -2.754 5.755 -2.185) 6.744 7.476 ( -0.490 -0.954 -3.813) 3.961 7.647 ( 0.190 -2.410 -1.001) 2.617 8.016 ( 1.903 5.295 -2.473) 6.146 8.657 ( 0.020 -10.000 -6.128) 11.728 8.715 ( -0.109 -3.417 -2.075) 3.999 8.927 ( 1.146 -3.588 -2.411) 4.472 13.461 ( -0.527 2.919 1.914) 3.530 13.489 ( -0.277 2.593 2.488) 3.604 15.135 ( 0.322 -1.270 3.394) 3.638 15.182 ( 0.760 -2.397 0.206) 2.524 15.254 ( 0.284 4.815 -1.416) 5.027 15.456 ( -0.155 5.520 -1.193) 5.650 15.597 ( -0.423 -8.696 -3.527) 9.393 15.796 ( -1.610 -5.504 -2.633) 6.310 ======================= Grid point 102 (38/125) ======================= q-point: (-0.11 0.11 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -0.000 12.366 6.899) 14.160 0.715 ( -0.000 19.260 -1.121) 19.293 1.419 ( -0.000 2.328 -3.012) 3.807 1.561 ( -0.000 24.789 16.144) 29.582 1.603 ( -0.000 3.184 5.833) 6.646 1.904 ( 0.000 -1.723 -6.119) 6.357 2.149 ( -0.000 0.554 1.019) 1.159 2.254 ( -0.000 0.732 -0.683) 1.001 2.263 ( 0.000 -1.141 -1.027) 1.535 2.279 ( 0.000 -2.269 8.525) 8.822 2.582 ( -0.000 10.487 -2.752) 10.842 2.896 ( -0.000 4.567 -3.776) 5.926 2.937 ( 0.000 -3.072 -10.554) 10.992 3.077 ( 0.000 -12.736 -0.328) 12.740 3.170 ( 0.000 -5.487 -1.393) 5.661 3.501 ( 0.000 -0.732 -3.721) 3.793 3.612 ( -0.000 4.341 5.302) 6.852 3.914 ( 0.000 -4.015 0.792) 4.092 4.074 ( 0.000 -6.099 0.962) 6.175 4.135 ( 0.000 -2.106 -1.715) 2.716 5.213 ( -0.000 3.153 8.047) 8.643 5.220 ( -0.000 9.651 3.045) 10.120 5.490 ( -0.000 2.941 8.519) 9.013 5.592 ( -0.000 5.462 3.755) 6.628 5.716 ( 0.000 -3.514 -0.215) 3.520 5.746 ( 0.000 -2.178 -0.970) 2.384 5.819 ( -0.000 0.209 1.094) 1.114 5.881 ( 0.000 -3.477 0.516) 3.515 5.960 ( 0.000 -1.047 0.836) 1.340 6.180 ( -0.000 0.007 1.822) 1.822 6.192 ( 0.000 -1.968 -0.106) 1.971 6.483 ( -0.000 6.729 -7.704) 10.229 6.635 ( -0.000 1.515 0.163) 1.524 6.759 ( -0.000 2.903 4.037) 4.972 6.787 ( 0.000 -1.009 0.023) 1.010 6.928 ( -0.000 9.714 -7.328) 12.168 6.997 ( 0.000 -0.402 -0.401) 0.568 7.133 ( 0.000 -6.236 4.384) 7.623 7.210 ( 0.000 -3.431 1.559) 3.768 7.218 ( -0.000 1.511 3.353) 3.678 7.470 ( -0.000 1.373 -4.179) 4.399 7.711 ( 0.000 -4.341 -0.933) 4.440 7.988 ( 0.000 -0.528 -1.899) 1.971 8.775 ( 0.000 -2.985 -1.239) 3.232 8.797 ( 0.000 -5.893 -6.032) 8.433 8.984 ( 0.000 -2.664 -1.258) 2.947 13.410 ( -0.000 2.405 1.864) 3.043 13.437 ( -0.000 2.840 2.320) 3.667 15.170 ( 0.000 -2.482 4.437) 5.084 15.198 ( -0.000 1.797 -0.415) 1.845 15.230 ( 0.000 -2.435 -0.577) 2.502 15.348 ( -0.000 6.382 -1.709) 6.607 15.756 ( 0.000 -8.127 -4.670) 9.374 15.860 ( 0.000 -3.304 -2.475) 4.128 ======================= Grid point 105 (39/125) ======================= q-point: ( 0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 13.963 -0.000 11.601) 18.154 0.651 ( 13.260 -0.000 15.713) 20.560 1.274 ( 27.079 -0.000 13.690) 30.343 1.455 ( 4.621 -0.000 0.427) 4.640 1.530 ( 2.197 -0.000 6.998) 7.334 1.793 ( -13.870 0.000 3.874) 14.401 1.808 ( -12.803 0.000 3.535) 13.282 2.232 ( -2.286 0.000 5.081) 5.571 2.258 ( 0.914 -0.000 -0.900) 1.283 2.265 ( -0.539 0.000 -6.601) 6.623 2.416 ( -2.505 0.000 4.444) 5.101 2.804 ( -2.562 0.000 0.846) 2.698 3.104 ( 4.765 -0.000 -4.236) 6.376 3.270 ( 3.134 -0.000 3.185) 4.469 3.391 ( -17.303 0.000 -3.305) 17.616 3.427 ( 5.517 -0.000 2.554) 6.079 3.443 ( -6.940 0.000 -2.836) 7.498 4.159 ( -0.864 0.000 -7.284) 7.335 4.206 ( 2.005 -0.000 -5.533) 5.885 4.296 ( 15.917 -0.000 -14.766) 21.711 5.017 ( 0.675 -0.000 7.116) 7.148 5.183 ( 1.582 -0.000 5.738) 5.952 5.409 ( 0.607 -0.000 2.402) 2.478 5.689 ( -7.439 0.000 8.150) 11.035 5.709 ( -0.225 0.000 -3.472) 3.479 5.800 ( -1.356 0.000 -2.016) 2.429 5.804 ( 0.138 -0.000 -1.138) 1.146 5.896 ( -1.093 0.000 3.936) 4.085 5.970 ( 0.091 -0.000 -1.067) 1.071 5.978 ( -0.334 0.000 1.280) 1.323 6.148 ( -1.128 0.000 4.310) 4.456 6.278 ( -2.727 0.000 -1.885) 3.315 6.524 ( -0.402 0.000 9.035) 9.044 6.629 ( -0.223 0.000 2.504) 2.514 6.666 ( -0.175 0.000 2.073) 2.080 6.858 ( 2.872 -0.000 -0.600) 2.934 6.917 ( -3.458 0.000 1.316) 3.700 7.086 ( -4.628 0.000 15.232) 15.920 7.278 ( 0.165 -0.000 0.081) 0.184 7.294 ( 0.098 -0.000 3.452) 3.453 7.441 ( 1.131 -0.000 -3.941) 4.100 7.810 ( -0.650 0.000 -2.653) 2.731 7.829 ( -2.538 0.000 -0.402) 2.570 8.773 ( -1.985 0.000 -1.055) 2.248 8.954 ( 1.775 -0.000 -3.449) 3.879 9.548 ( 9.928 -0.000 -26.089) 27.914 13.369 ( -0.331 0.000 1.713) 1.745 13.387 ( 0.515 -0.000 2.932) 2.977 15.135 ( -0.109 0.000 -2.305) 2.308 15.180 ( 0.165 -0.000 0.523) 0.548 15.197 ( -3.030 0.000 -0.978) 3.184 15.289 ( -0.075 0.000 5.155) 5.156 15.449 ( -3.763 0.000 10.189) 10.862 16.673 ( 11.837 -0.000 -24.940) 27.606 ======================= Grid point 106 (40/125) ======================= q-point: ( 0.33 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 14.529 -6.111 8.183) 17.760 0.835 ( 14.689 -7.821 9.278) 19.053 1.435 ( 2.380 -1.688 0.748) 3.012 1.459 ( 6.436 0.566 0.972) 6.533 1.680 ( -10.401 -2.362 2.096) 10.870 1.716 ( 16.353 -9.150 11.675) 22.078 1.800 ( -16.325 -6.492 5.499) 18.409 2.170 ( -1.594 3.380 -0.614) 3.787 2.240 ( 0.140 -0.981 0.904) 1.341 2.314 ( -1.333 2.656 0.403) 2.999 2.429 ( 0.668 -6.333 -0.497) 6.387 2.770 ( -3.428 1.526 0.778) 3.832 3.108 ( 4.298 3.985 -6.413) 8.688 3.210 ( -8.959 2.444 2.546) 9.629 3.311 ( -10.973 -1.886 -1.276) 11.207 3.420 ( 6.464 0.354 1.156) 6.576 3.472 ( -0.292 -1.630 0.439) 1.714 4.127 ( -0.621 3.086 -5.139) 6.027 4.186 ( 0.846 3.584 -2.815) 4.635 4.293 ( 10.520 8.857 -10.743) 17.451 5.058 ( -0.056 -3.716 8.517) 9.293 5.247 ( 3.022 -5.769 4.056) 7.673 5.429 ( 1.002 -2.811 2.559) 3.931 5.538 ( -3.054 4.407 11.065) 12.296 5.742 ( -0.647 0.833 -4.005) 4.141 5.774 ( -2.019 -0.333 -1.482) 2.527 5.790 ( -0.936 0.564 -1.618) 1.953 5.909 ( -1.102 1.696 -2.479) 3.199 5.975 ( 0.561 -0.047 -1.726) 1.815 6.122 ( -0.612 -1.076 2.900) 3.153 6.213 ( 0.153 -8.445 0.737) 8.479 6.285 ( -3.296 -8.581 -0.650) 9.216 6.563 ( 0.100 -3.323 5.070) 6.063 6.658 ( -0.847 -4.259 3.651) 5.673 6.691 ( -0.255 -2.538 1.227) 2.830 6.856 ( 1.103 1.100 0.078) 1.560 6.956 ( -2.100 -7.254 1.034) 7.622 7.059 ( -2.633 0.323 13.165) 13.429 7.251 ( -0.086 4.666 3.447) 5.801 7.284 ( 0.797 -0.521 -0.277) 0.992 7.467 ( 1.111 -1.900 -3.857) 4.441 7.779 ( -0.265 2.688 -3.286) 4.253 7.804 ( -2.730 1.508 -1.740) 3.571 8.758 ( -1.011 0.503 -1.219) 1.661 8.925 ( 0.666 4.293 -3.510) 5.586 9.425 ( 6.667 16.748 -18.461) 25.802 13.387 ( -0.200 -1.964 1.809) 2.677 13.408 ( 0.588 -2.111 2.633) 3.425 15.129 ( -2.250 0.627 -0.891) 2.500 15.182 ( 0.078 -0.244 0.421) 0.492 15.228 ( -0.320 -2.941 -2.066) 3.608 15.257 ( -0.003 0.554 4.997) 5.027 15.494 ( -2.750 -5.291 5.869) 8.367 16.574 ( 9.142 16.062 -18.050) 25.833 ======================= Grid point 107 (41/125) ======================= q-point: ( 0.44 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 13.858 -10.482 3.212) 17.670 1.092 ( 14.040 -10.104 3.317) 17.613 1.419 ( -1.403 1.302 -1.518) 2.443 1.522 ( 2.041 -2.996 1.065) 3.778 1.650 ( -13.232 -4.216 -0.668) 13.904 1.785 ( -16.370 -5.255 2.565) 17.383 1.945 ( 4.759 -0.279 7.085) 8.539 2.122 ( 1.672 1.639 -3.084) 3.872 2.241 ( -1.935 1.607 0.394) 2.546 2.367 ( 9.488 -11.245 4.322) 15.335 2.562 ( 2.293 -4.290 -1.023) 4.971 2.734 ( -4.117 -2.473 -1.136) 4.935 2.985 ( -1.252 8.770 -3.616) 9.568 3.175 ( -2.057 -1.258 -3.945) 4.624 3.291 ( -8.904 -3.535 -4.089) 10.416 3.446 ( 3.484 2.307 1.446) 4.421 3.535 ( 5.622 -4.517 3.811) 8.157 4.032 ( -0.022 7.692 1.079) 7.768 4.095 ( -1.585 5.526 2.119) 6.127 4.148 ( 3.278 11.834 -5.558) 13.478 5.135 ( -0.845 -5.130 9.193) 10.562 5.398 ( 4.065 -5.156 3.128) 7.273 5.475 ( -0.247 -0.888 6.948) 7.009 5.559 ( -0.666 -10.895 1.186) 10.980 5.708 ( -0.172 1.981 -3.369) 3.912 5.757 ( -1.842 0.705 -0.300) 1.995 5.798 ( 0.949 -0.764 -0.206) 1.236 5.864 ( -1.076 1.915 0.522) 2.258 5.974 ( 1.132 1.086 -1.322) 2.051 6.114 ( -0.266 0.623 3.638) 3.700 6.209 ( -2.532 1.504 1.213) 3.185 6.488 ( 1.875 -8.177 -2.911) 8.880 6.611 ( 0.176 -2.193 1.492) 2.658 6.733 ( -4.110 -3.866 1.268) 5.783 6.740 ( -0.399 -2.872 0.036) 2.900 6.845 ( 0.692 0.915 1.343) 1.766 7.041 ( -2.155 0.066 10.507) 10.726 7.106 ( 1.176 6.457 1.524) 6.738 7.222 ( 1.754 -15.068 -0.565) 15.180 7.321 ( 1.787 -3.853 0.028) 4.248 7.510 ( 1.000 -1.328 -4.045) 4.373 7.716 ( -1.220 3.512 -3.913) 5.398 7.747 ( -3.332 1.742 -2.162) 4.337 8.745 ( 0.198 0.611 -1.685) 1.803 8.809 ( -0.796 8.329 -4.090) 9.313 9.125 ( 2.229 18.286 -10.177) 21.046 13.431 ( 0.154 -2.821 2.102) 3.521 13.464 ( 0.706 -3.274 1.930) 3.865 15.104 ( -1.554 0.433 -0.049) 1.614 15.192 ( -0.072 -0.210 1.031) 1.054 15.197 ( -0.291 1.473 2.713) 3.101 15.349 ( 0.030 -6.565 -1.494) 6.733 15.562 ( -1.816 -3.635 2.211) 4.626 16.284 ( 6.325 20.867 -11.868) 24.825 ======================= Grid point 108 (42/125) ======================= q-point: ( 0.56 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 11.457 -5.124 1.137) 12.602 1.303 ( 2.932 -0.282 0.878) 3.073 1.450 ( 7.746 -8.772 -2.925) 12.062 1.601 ( -0.567 -3.544 1.108) 3.756 1.645 ( -11.383 -6.339 0.562) 13.041 1.776 ( -12.856 -4.534 -1.104) 13.676 1.887 ( -2.823 4.655 3.130) 6.280 2.120 ( 2.923 -0.592 0.038) 2.982 2.265 ( 0.282 -4.513 -4.043) 6.066 2.536 ( -0.155 2.049 -4.258) 4.728 2.602 ( -0.246 -0.727 -3.151) 3.243 2.830 ( -1.511 -2.077 -7.819) 8.230 2.913 ( 10.041 -7.356 4.105) 13.107 3.198 ( 1.821 -1.240 -10.244) 10.478 3.328 ( -9.184 -7.310 -0.036) 11.738 3.380 ( -0.756 6.265 -2.716) 6.870 3.666 ( 10.031 -2.419 5.044) 11.486 3.862 ( -0.593 9.564 9.742) 13.665 3.933 ( -3.064 10.736 -0.585) 11.180 3.986 ( -2.189 5.239 8.503) 10.225 5.228 ( -0.549 -5.632 8.772) 10.439 5.406 ( -0.618 1.566 5.391) 5.648 5.586 ( 3.987 -6.087 0.205) 7.279 5.674 ( -0.180 1.407 -1.773) 2.271 5.706 ( -3.125 -1.383 -0.761) 3.501 5.765 ( 1.871 2.634 1.529) 3.575 5.851 ( -0.046 -5.777 2.087) 6.143 5.872 ( 1.957 -7.620 2.132) 8.151 5.942 ( -0.537 1.127 0.994) 1.596 6.102 ( -0.724 0.261 2.685) 2.794 6.170 ( -1.733 0.703 1.669) 2.507 6.608 ( 2.307 -3.090 -0.558) 3.897 6.651 ( -0.010 -1.919 0.911) 2.124 6.745 ( -1.506 -0.674 -0.862) 1.862 6.779 ( -1.139 -1.277 -0.890) 1.928 6.830 ( 0.983 2.023 1.060) 2.486 6.930 ( -1.695 7.914 3.591) 8.854 7.042 ( -1.720 -1.077 6.510) 6.819 7.355 ( 3.324 -1.991 -2.469) 4.594 7.469 ( 1.501 4.692 -3.185) 5.866 7.571 ( 4.846 -5.229 -4.438) 8.398 7.654 ( 1.370 3.070 -4.105) 5.306 7.791 ( -7.419 -15.948 -2.242) 17.732 8.609 ( -1.487 11.832 -3.705) 12.487 8.757 ( 0.914 -0.109 -3.613) 3.728 8.846 ( -1.027 11.648 -4.646) 12.583 13.482 ( 0.129 -2.531 2.147) 3.321 13.521 ( 0.597 -2.233 1.735) 2.890 15.096 ( -0.679 -0.357 0.524) 0.929 15.157 ( -0.103 1.735 3.045) 3.506 15.229 ( -0.481 -3.175 -0.815) 3.313 15.469 ( 0.209 -6.606 -1.304) 6.736 15.595 ( -0.375 -0.828 0.352) 0.975 15.939 ( 2.536 20.085 -7.813) 21.700 ======================= Grid point 109 (43/125) ======================= q-point: ( 0.67 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -1.388 6.517 -0.238) 6.667 1.394 ( 8.500 -4.441 0.517) 9.604 1.562 ( -7.522 -0.495 -1.288) 7.648 1.654 ( 1.854 4.700 -1.495) 5.269 1.723 ( 5.693 -2.261 1.409) 6.286 1.800 ( -5.138 -5.250 0.252) 7.350 1.846 ( -4.470 -9.304 2.882) 10.717 2.218 ( -0.408 -10.107 -3.495) 10.702 2.374 ( 9.110 -1.443 -3.105) 9.732 2.481 ( -2.615 4.570 -7.570) 9.221 2.496 ( -5.827 1.617 -6.989) 9.242 2.899 ( -0.730 -5.306 -12.915) 13.982 3.054 ( 4.932 3.088 -9.584) 11.213 3.181 ( -2.241 14.172 -2.382) 14.545 3.287 ( 2.573 -6.680 -3.385) 7.918 3.462 ( -3.952 -12.464 5.948) 14.365 3.594 ( 3.619 14.161 -4.739) 15.365 3.727 ( -0.584 3.532 14.565) 14.999 3.883 ( -1.095 4.814 13.302) 14.189 3.893 ( -0.261 -6.052 10.628) 12.233 5.325 ( 0.071 -5.052 8.655) 10.021 5.369 ( -0.384 2.148 4.969) 5.427 5.651 ( -0.341 1.134 0.857) 1.462 5.673 ( -0.023 -0.676 -1.339) 1.501 5.720 ( 0.747 -0.444 1.090) 1.394 5.740 ( -0.382 -3.377 1.214) 3.609 5.807 ( 0.203 8.551 0.880) 8.598 5.876 ( 1.057 0.344 3.324) 3.505 6.099 ( -0.603 -0.697 1.768) 1.994 6.164 ( 0.113 -0.308 1.723) 1.754 6.212 ( -0.286 -19.106 2.389) 19.256 6.517 ( -0.286 13.940 2.173) 14.112 6.692 ( -0.255 -2.813 0.047) 2.825 6.734 ( 0.564 3.553 -2.029) 4.130 6.754 ( -0.114 0.996 0.246) 1.033 6.800 ( 2.733 0.116 1.325) 3.039 6.920 ( -3.411 -5.679 0.544) 6.647 7.068 ( -0.347 -2.413 4.284) 4.929 7.352 ( -0.082 7.182 -2.506) 7.607 7.406 ( 2.474 -1.339 -2.705) 3.903 7.533 ( -1.468 5.503 -6.127) 8.365 7.647 ( 1.823 1.023 -2.044) 2.924 8.127 ( -0.936 -19.722 -4.842) 20.329 8.376 ( -0.908 12.624 -3.697) 13.185 8.674 ( -1.564 3.801 -3.293) 5.267 8.812 ( 1.579 -2.399 -3.037) 4.180 13.514 ( -0.138 -0.794 2.047) 2.200 13.544 ( 0.235 0.067 2.045) 2.059 15.107 ( -0.163 -1.012 1.215) 1.590 15.135 ( 0.114 0.604 2.113) 2.201 15.306 ( -0.696 -5.921 -1.787) 6.224 15.572 ( 1.606 0.856 -1.543) 2.386 15.597 ( 1.221 -1.894 -1.411) 2.659 15.627 ( -1.883 12.190 -3.797) 12.905 ======================= Grid point 110 (44/125) ======================= q-point: (-0.22 0.22 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.000 8.577 1.110) 8.648 1.387 ( -0.000 14.812 -2.528) 15.026 1.509 ( -0.000 1.849 -3.108) 3.616 1.604 ( 0.000 -8.212 -0.019) 8.212 1.745 ( -0.000 3.171 6.727) 7.437 1.881 ( 0.000 -5.348 -1.673) 5.604 2.041 ( 0.000 -10.505 1.760) 10.651 2.305 ( -0.000 10.471 -8.916) 13.753 2.340 ( -0.000 3.117 -0.921) 3.251 2.484 ( 0.000 -16.017 -6.745) 17.379 2.594 ( 0.000 -4.501 -3.871) 5.936 2.853 ( -0.000 12.983 5.551) 14.120 2.937 ( -0.000 9.074 -14.238) 16.884 3.019 ( 0.000 -3.260 -15.029) 15.378 3.319 ( -0.000 15.315 -5.431) 16.250 3.392 ( 0.000 -4.545 -3.212) 5.565 3.710 ( 0.000 -12.887 9.385) 15.942 3.738 ( 0.000 -3.735 11.842) 12.417 3.793 ( -0.000 4.239 12.300) 13.010 4.004 ( 0.000 -5.471 8.280) 9.924 5.324 ( -0.000 2.719 5.590) 6.216 5.400 ( 0.000 -2.975 9.423) 9.881 5.628 ( -0.000 7.329 1.514) 7.484 5.638 ( -0.000 2.791 1.469) 3.154 5.683 ( 0.000 -1.026 -0.646) 1.213 5.737 ( 0.000 -2.000 1.679) 2.612 5.822 ( 0.000 -3.746 -0.301) 3.758 5.860 ( -0.000 1.645 3.397) 3.774 6.113 ( 0.000 -0.452 1.071) 1.162 6.172 ( 0.000 -0.419 1.773) 1.822 6.219 ( -0.000 16.666 3.659) 17.063 6.535 ( 0.000 -15.795 0.845) 15.818 6.671 ( -0.000 3.931 -4.691) 6.120 6.720 ( -0.000 0.412 0.572) 0.705 6.753 ( 0.000 -2.564 0.644) 2.643 6.810 ( -0.000 0.123 2.304) 2.308 7.020 ( 0.000 -5.919 0.781) 5.970 7.110 ( 0.000 -1.824 2.867) 3.398 7.220 ( -0.000 7.319 -2.235) 7.652 7.409 ( -0.000 6.947 -5.540) 8.886 7.446 ( 0.000 -1.813 -3.085) 3.578 7.633 ( -0.000 0.550 -1.148) 1.273 8.162 ( -0.000 10.227 -3.342) 10.759 8.437 ( 0.000 -14.692 -5.943) 15.848 8.659 ( 0.000 -1.979 -2.503) 3.191 8.872 ( 0.000 -3.306 -3.008) 4.470 13.505 ( -0.000 1.756 1.768) 2.492 13.526 ( -0.000 1.680 2.635) 3.124 15.121 ( 0.000 -0.531 2.733) 2.785 15.145 ( 0.000 -1.688 0.582) 1.786 15.385 ( -0.000 9.737 -2.960) 10.177 15.434 ( 0.000 -8.181 -2.771) 8.637 15.540 ( -0.000 3.745 -0.815) 3.833 15.700 ( 0.000 -5.544 -1.759) 5.816 ======================= Grid point 115 (45/125) ======================= q-point: ( 0.33 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 15.308 -0.000 9.873) 18.216 0.837 ( 14.597 -0.000 12.970) 19.526 1.441 ( 0.880 -0.000 0.448) 0.988 1.514 ( 3.855 -0.000 0.079) 3.856 1.583 ( -15.604 0.000 3.642) 16.024 1.624 ( -14.592 0.000 5.407) 15.562 1.769 ( 28.897 -0.000 10.808) 30.852 2.206 ( -1.619 0.000 5.503) 5.736 2.263 ( 0.284 -0.000 -7.470) 7.476 2.285 ( 2.995 -0.000 -0.280) 3.008 2.378 ( -3.057 0.000 2.341) 3.850 2.770 ( -2.370 0.000 2.927) 3.766 3.081 ( -26.619 0.000 2.545) 26.740 3.167 ( 3.992 -0.000 -5.085) 6.465 3.306 ( 2.252 -0.000 3.263) 3.965 3.392 ( -2.889 0.000 -3.214) 4.322 3.499 ( 4.979 -0.000 1.822) 5.302 4.147 ( -0.949 0.000 -6.155) 6.228 4.231 ( 1.613 -0.000 -4.939) 5.196 4.460 ( 9.219 -0.000 -16.573) 18.965 5.027 ( 0.581 -0.000 9.319) 9.337 5.203 ( 1.489 -0.000 3.469) 3.775 5.413 ( -0.041 0.000 3.227) 3.227 5.611 ( -4.451 0.000 9.505) 10.495 5.707 ( -0.041 0.000 -3.563) 3.563 5.775 ( -2.158 0.000 -3.374) 4.005 5.806 ( 0.128 -0.000 -1.051) 1.059 5.894 ( 0.656 -0.000 1.856) 1.969 5.969 ( -1.130 0.000 5.193) 5.315 5.973 ( 0.148 -0.000 -2.062) 2.067 6.142 ( -0.038 0.000 4.816) 4.816 6.247 ( -1.720 0.000 1.846) 2.523 6.548 ( 3.444 -0.000 5.163) 6.206 6.627 ( -0.108 0.000 2.269) 2.271 6.665 ( -0.061 0.000 0.857) 0.859 6.857 ( -5.316 0.000 2.432) 5.846 6.887 ( 1.518 -0.000 -0.753) 1.694 7.052 ( -1.257 0.000 14.020) 14.076 7.279 ( -0.024 0.000 -1.080) 1.080 7.295 ( 0.023 -0.000 3.473) 3.473 7.455 ( 0.947 -0.000 -3.676) 3.796 7.802 ( -0.617 0.000 -4.000) 4.047 7.809 ( -0.896 0.000 -2.838) 2.976 8.757 ( -0.542 0.000 -0.828) 0.989 8.970 ( 0.617 -0.000 -3.062) 3.124 9.630 ( 3.673 -0.000 -23.716) 23.998 13.365 ( -0.293 0.000 1.569) 1.596 13.391 ( 0.184 -0.000 3.374) 3.379 15.134 ( -0.089 0.000 -2.296) 2.298 15.170 ( -1.178 0.000 -1.725) 2.089 15.182 ( 0.139 -0.000 0.630) 0.645 15.288 ( -0.067 0.000 5.141) 5.141 15.419 ( -1.271 0.000 8.209) 8.307 16.773 ( 4.511 -0.000 -20.386) 20.879 ======================= Grid point 116 (46/125) ======================= q-point: ( 0.44 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 14.163 -5.663 7.120) 16.833 1.031 ( 14.870 -8.051 9.079) 19.193 1.430 ( -0.915 0.887 0.171) 1.285 1.497 ( -13.625 -1.800 1.718) 13.850 1.520 ( -1.117 -0.319 0.382) 1.223 1.587 ( -12.240 -4.172 4.677) 13.751 1.992 ( 17.962 -1.780 5.721) 18.935 2.158 ( -0.161 2.996 -1.287) 3.265 2.271 ( 5.265 -3.578 1.372) 6.511 2.300 ( -0.223 2.570 0.304) 2.597 2.445 ( 2.365 -8.404 -0.010) 8.731 2.731 ( -2.248 2.369 2.816) 4.312 2.945 ( -23.554 -4.052 6.994) 24.903 3.172 ( 3.813 3.402 -6.512) 8.277 3.257 ( -2.322 1.734 -4.293) 5.179 3.459 ( 0.723 -5.151 2.257) 5.670 3.512 ( 4.422 1.062 2.107) 5.012 4.118 ( -0.554 2.595 -4.081) 4.868 4.193 ( 0.391 5.038 -2.519) 5.646 4.396 ( 5.103 11.122 -12.591) 17.557 5.057 ( -0.093 -2.998 10.372) 10.797 5.283 ( 2.247 -7.548 2.132) 8.159 5.438 ( 0.268 -3.072 3.131) 4.395 5.505 ( -1.750 4.288 9.678) 10.729 5.735 ( -0.294 0.047 -4.562) 4.572 5.751 ( -1.484 -0.272 -2.534) 2.949 5.777 ( -0.783 0.422 -1.417) 1.673 5.898 ( -0.592 1.772 -2.476) 3.101 5.980 ( 0.146 -0.476 -2.658) 2.705 6.124 ( 0.653 -1.253 3.158) 3.460 6.212 ( -0.331 -3.600 4.671) 5.906 6.249 ( -1.934 -13.517 3.513) 14.099 6.586 ( 2.879 -1.374 2.772) 4.227 6.647 ( -1.043 -2.466 2.330) 3.549 6.689 ( 0.033 -2.503 0.525) 2.558 6.853 ( -1.412 -1.388 2.921) 3.528 6.928 ( -1.496 -6.866 2.432) 7.436 7.043 ( -0.320 -0.027 10.709) 10.714 7.250 ( -0.082 4.932 3.395) 5.988 7.292 ( 0.462 -1.410 -1.427) 2.059 7.479 ( 0.682 -1.912 -3.696) 4.216 7.769 ( -1.087 3.150 -4.407) 5.525 7.787 ( -0.196 1.904 -3.513) 4.001 8.752 ( 0.002 0.248 -1.092) 1.120 8.928 ( -0.089 4.883 -3.108) 5.789 9.482 ( 2.524 16.786 -18.678) 25.239 13.384 ( -0.169 -2.154 1.513) 2.638 13.414 ( 0.238 -2.340 3.105) 3.895 15.109 ( -0.908 1.160 -1.200) 1.900 15.184 ( 0.074 -0.163 0.511) 0.541 15.226 ( -0.121 -2.998 -2.026) 3.620 15.257 ( -0.006 0.402 4.894) 4.911 15.470 ( -1.047 -4.874 5.387) 7.340 16.654 ( 3.603 14.786 -16.663) 22.567 ======================= Grid point 117 (47/125) ======================= q-point: ( 0.56 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 12.118 -10.724 2.527) 16.378 1.277 ( 13.090 -7.282 4.908) 15.762 1.409 ( 0.045 0.132 -1.033) 1.042 1.460 ( -11.293 -3.382 1.835) 11.930 1.533 ( -8.416 -5.192 -0.444) 9.898 1.587 ( -6.578 -2.653 0.837) 7.142 1.983 ( 1.089 5.723 5.164) 7.785 2.156 ( 2.844 -1.107 -5.321) 6.134 2.212 ( -2.424 2.910 0.505) 3.821 2.484 ( 5.330 -8.900 -7.263) 12.663 2.604 ( 2.735 -0.399 3.843) 4.734 2.729 ( 6.026 -8.080 6.827) 12.174 2.898 ( -12.246 -2.164 6.964) 14.253 3.106 ( -3.111 0.817 -6.601) 7.343 3.259 ( 0.237 -1.046 -11.504) 11.554 3.462 ( 0.244 3.226 -0.526) 3.277 3.611 ( 3.736 -6.642 8.444) 11.375 4.040 ( 1.378 7.843 2.090) 8.233 4.066 ( -2.386 6.528 2.627) 7.430 4.176 ( 0.933 14.654 -8.408) 16.920 5.128 ( -0.279 -4.927 9.963) 11.118 5.426 ( 0.498 0.117 5.327) 5.352 5.497 ( 3.285 -6.968 2.612) 8.134 5.540 ( -2.479 -10.674 1.419) 11.050 5.705 ( -0.141 1.891 -3.622) 4.089 5.739 ( -0.801 0.439 -0.396) 0.995 5.811 ( 0.824 -2.751 -0.749) 2.968 5.850 ( -0.915 2.778 0.420) 2.955 5.984 ( 0.396 0.652 -2.433) 2.550 6.128 ( 2.279 1.388 4.154) 4.937 6.167 ( -3.467 1.521 2.763) 4.687 6.509 ( 0.922 -9.765 -0.609) 9.827 6.630 ( 2.660 -1.627 1.190) 3.337 6.680 ( -3.847 -2.897 0.250) 4.822 6.737 ( -0.081 -2.527 -0.341) 2.551 6.850 ( 0.147 1.010 2.002) 2.247 7.020 ( -0.878 -0.512 12.905) 12.945 7.115 ( 0.314 9.269 2.982) 9.742 7.242 ( 0.950 -22.114 -1.278) 22.171 7.337 ( 0.648 -3.770 -1.133) 3.989 7.519 ( 0.347 -1.261 -3.927) 4.139 7.682 ( -1.948 4.731 -4.708) 6.953 7.741 ( 0.321 3.265 -3.780) 5.005 8.752 ( 0.533 -0.049 -2.027) 2.097 8.797 ( -0.753 9.113 -3.405) 9.758 9.143 ( 0.658 20.064 -11.176) 22.976 13.432 ( 0.022 -2.984 1.776) 3.472 13.470 ( 0.229 -3.428 2.298) 4.133 15.091 ( -0.486 0.278 -0.357) 0.664 15.192 ( 0.027 -0.548 0.576) 0.795 15.194 ( -0.136 2.020 3.415) 3.970 15.350 ( 0.006 -6.619 -1.446) 6.775 15.547 ( -0.569 -3.852 2.396) 4.572 16.338 ( 2.014 21.343 -12.104) 24.619 ======================= Grid point 118 (48/125) ======================= q-point: ( 0.67 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -0.000 3.460 -0.034) 3.460 1.379 ( 0.000 -0.758 1.860) 2.009 1.480 ( 0.000 -8.278 0.262) 8.282 1.600 ( 0.000 -7.457 -4.211) 8.564 1.602 ( 0.000 -9.325 2.264) 9.596 1.629 ( 0.000 -8.135 -0.773) 8.172 1.868 ( -0.000 7.363 3.502) 8.153 2.145 ( -0.000 0.836 2.047) 2.211 2.265 ( 0.000 -7.716 -7.168) 10.532 2.534 ( -0.000 5.449 0.526) 5.474 2.597 ( -0.000 0.017 -9.636) 9.636 2.822 ( -0.000 0.318 -7.809) 7.816 3.020 ( 0.000 -11.990 10.111) 15.684 3.161 ( 0.000 -7.433 -2.391) 7.808 3.279 ( 0.000 -2.520 -13.354) 13.590 3.372 ( -0.000 7.195 -1.640) 7.380 3.754 ( 0.000 -7.108 11.395) 13.430 3.859 ( -0.000 9.922 10.619) 14.533 3.891 ( -0.000 15.420 -5.233) 16.284 3.973 ( -0.000 5.626 7.210) 9.145 5.225 ( 0.000 -5.752 9.107) 10.771 5.402 ( -0.000 1.651 4.905) 5.175 5.622 ( 0.000 -6.181 1.038) 6.267 5.674 ( -0.000 1.453 -1.565) 2.135 5.674 ( 0.000 -0.679 -2.627) 2.714 5.780 ( -0.000 3.767 2.062) 4.295 5.850 ( 0.000 -8.234 1.395) 8.351 5.886 ( 0.000 -11.055 3.520) 11.601 5.937 ( -0.000 5.204 -0.727) 5.255 6.099 ( -0.000 1.131 3.270) 3.460 6.156 ( 0.000 -0.494 1.969) 2.030 6.630 ( 0.000 -4.252 0.237) 4.259 6.648 ( -0.000 1.648 1.023) 1.939 6.733 ( 0.000 -3.932 -1.218) 4.117 6.771 ( 0.000 -0.895 -1.422) 1.680 6.838 ( 0.000 -0.605 1.392) 1.518 6.918 ( -0.000 11.402 2.960) 11.780 7.030 ( 0.000 -1.295 8.012) 8.116 7.377 ( 0.000 -2.397 -2.251) 3.288 7.478 ( -0.000 6.021 -3.442) 6.936 7.612 ( -0.000 2.640 -5.963) 6.521 7.681 ( -0.000 2.744 -3.033) 4.090 7.716 ( 0.000 -25.157 -2.534) 25.284 8.598 ( -0.000 12.122 -3.574) 12.638 8.763 ( -0.000 0.400 -4.009) 4.029 8.840 ( -0.000 11.531 -4.577) 12.406 13.483 ( 0.000 -2.477 2.018) 3.195 13.525 ( 0.000 -2.239 1.838) 2.897 15.092 ( 0.000 -0.495 0.420) 0.650 15.156 ( -0.000 1.688 3.100) 3.530 15.226 ( 0.000 -2.961 -0.726) 3.049 15.470 ( 0.000 -6.722 -1.318) 6.850 15.593 ( 0.000 -1.328 0.579) 1.449 15.955 ( -0.000 20.953 -8.127) 22.474 ======================= Grid point 126 (49/125) ======================= q-point: ( 0.44 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( 11.165 -0.000 10.322) 15.205 1.008 ( 9.490 -0.000 11.607) 14.993 1.387 ( -11.676 0.000 1.443) 11.765 1.437 ( -0.412 0.000 1.165) 1.236 1.447 ( -9.514 0.000 5.791) 11.137 1.555 ( 1.482 -0.000 0.290) 1.510 2.119 ( 17.790 -0.000 -2.657) 17.987 2.191 ( -0.593 0.000 6.323) 6.351 2.271 ( 0.669 -0.000 -8.664) 8.690 2.343 ( -1.804 0.000 1.495) 2.342 2.358 ( 11.206 -0.000 5.870) 12.650 2.721 ( -26.117 0.000 8.420) 27.441 2.748 ( -0.943 0.000 4.253) 4.356 3.204 ( 1.446 -0.000 -5.437) 5.626 3.327 ( 0.823 -0.000 3.203) 3.307 3.366 ( -1.021 0.000 -3.228) 3.386 3.546 ( 1.977 -0.000 1.451) 2.453 4.137 ( -0.437 0.000 -5.392) 5.409 4.246 ( 0.625 -0.000 -4.646) 4.688 4.540 ( 3.005 -0.000 -17.010) 17.274 5.031 ( 0.069 -0.000 11.287) 11.287 5.220 ( 0.810 -0.000 1.381) 1.601 5.410 ( -0.226 0.000 4.005) 4.012 5.573 ( -1.417 0.000 8.874) 8.986 5.708 ( 0.147 -0.000 -3.319) 3.323 5.752 ( -1.113 0.000 -4.274) 4.416 5.807 ( 0.046 -0.000 -1.081) 1.082 5.907 ( 1.073 -0.000 -2.443) 2.668 5.951 ( -1.189 0.000 10.757) 10.823 5.973 ( -0.065 0.000 -2.217) 2.218 6.141 ( -0.059 0.000 2.530) 2.531 6.236 ( -0.162 0.000 6.116) 6.118 6.597 ( 3.328 -0.000 1.970) 3.867 6.624 ( -0.477 0.000 2.259) 2.309 6.664 ( -0.014 0.000 0.187) 0.188 6.794 ( -3.456 0.000 4.191) 5.432 6.898 ( 0.292 -0.000 -0.883) 0.930 7.043 ( -0.221 0.000 13.493) 13.495 7.279 ( -0.015 0.000 -1.828) 1.828 7.295 ( -0.005 0.000 3.501) 3.501 7.464 ( 0.361 -0.000 -3.518) 3.537 7.796 ( -0.245 0.000 -4.876) 4.882 7.802 ( -0.245 0.000 -3.892) 3.899 8.754 ( 0.024 -0.000 -0.664) 0.664 8.973 ( 0.068 -0.000 -2.839) 2.840 9.659 ( 0.958 -0.000 -22.453) 22.474 13.362 ( -0.116 0.000 1.474) 1.478 13.393 ( 0.043 -0.000 3.499) 3.499 15.133 ( -0.033 0.000 -2.290) 2.290 15.161 ( -0.288 0.000 -2.188) 2.207 15.183 ( 0.054 -0.000 0.701) 0.703 15.288 ( -0.027 0.000 5.130) 5.130 15.409 ( -0.351 0.000 7.441) 7.449 16.808 ( 1.197 -0.000 -18.174) 18.213 ======================= Grid point 127 (50/125) ======================= q-point: ( 0.56 0.44 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.000 -5.939 7.341) 9.443 1.169 ( 0.000 -9.634 10.187) 14.021 1.373 ( 0.000 -2.960 0.171) 2.965 1.412 ( 0.000 -0.072 4.239) 4.240 1.432 ( -0.000 0.381 0.694) 0.792 1.564 ( 0.000 -0.416 0.220) 0.471 2.097 ( -0.000 5.793 3.814) 6.935 2.163 ( -0.000 2.194 -5.050) 5.506 2.285 ( -0.000 4.351 0.978) 4.460 2.358 ( 0.000 -7.400 -8.749) 11.459 2.514 ( 0.000 -8.241 9.234) 12.376 2.698 ( 0.000 -8.352 10.758) 13.619 2.723 ( -0.000 1.938 4.179) 4.607 3.211 ( -0.000 7.611 -4.576) 8.881 3.228 ( 0.000 -1.852 -7.152) 7.388 3.465 ( 0.000 -4.925 2.869) 5.699 3.544 ( 0.000 -0.061 2.433) 2.433 4.114 ( -0.000 2.358 -3.518) 4.235 4.196 ( -0.000 5.704 -2.518) 6.235 4.429 ( -0.000 11.894 -13.164) 17.741 5.056 ( 0.000 -2.814 11.121) 11.472 5.299 ( 0.000 -8.339 1.202) 8.426 5.438 ( 0.000 -3.147 3.605) 4.785 5.494 ( -0.000 4.271 8.927) 9.896 5.735 ( -0.000 1.336 -4.434) 4.631 5.739 ( 0.000 -1.811 -3.237) 3.709 5.772 ( -0.000 0.516 -1.232) 1.335 5.894 ( -0.000 1.873 -2.564) 3.175 5.981 ( 0.000 -0.638 -2.643) 2.719 6.130 ( 0.000 -2.141 1.757) 2.770 6.208 ( -0.000 2.851 6.370) 6.979 6.237 ( 0.000 -18.829 6.048) 19.776 6.622 ( 0.000 -1.304 0.528) 1.406 6.626 ( 0.000 -0.764 2.090) 2.225 6.690 ( 0.000 -2.446 0.224) 2.456 6.839 ( 0.000 -4.293 5.775) 7.196 6.919 ( 0.000 -5.173 1.941) 5.525 7.042 ( 0.000 -0.429 9.882) 9.892 7.249 ( -0.000 5.058 3.387) 6.087 7.295 ( 0.000 -1.775 -1.846) 2.561 7.484 ( 0.000 -1.910 -3.634) 4.105 7.761 ( -0.000 3.651 -5.011) 6.200 7.787 ( -0.000 1.653 -3.950) 4.281 8.753 ( -0.000 0.131 -1.067) 1.075 8.927 ( -0.000 5.146 -2.938) 5.926 9.498 ( -0.000 16.713 -18.637) 25.033 13.383 ( 0.000 -2.209 1.417) 2.624 13.415 ( 0.000 -2.421 3.236) 4.041 15.103 ( -0.000 1.331 -1.332) 1.883 15.184 ( 0.000 -0.126 0.557) 0.571 15.225 ( 0.000 -3.000 -2.022) 3.617 15.257 ( -0.000 0.358 4.859) 4.872 15.464 ( 0.000 -4.728 5.223) 7.046 16.677 ( -0.000 14.279 -16.107) 21.525 ======================= Grid point 170 (51/125) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 0.000 14.403) 14.403 0.868 ( 0.000 0.000 20.028) 20.028 1.372 ( 0.000 0.000 -2.156) 2.156 1.490 ( 0.000 0.000 30.462) 30.462 1.626 ( 0.000 0.000 5.230) 5.230 1.969 ( 0.000 0.000 0.143) 0.143 2.018 ( 0.000 0.000 3.608) 3.608 2.142 ( 0.000 0.000 -6.744) 6.744 2.304 ( 0.000 0.000 1.432) 1.432 2.453 ( 0.000 0.000 6.811) 6.811 2.616 ( 0.000 0.000 9.480) 9.480 2.826 ( 0.000 0.000 2.624) 2.624 2.937 ( 0.000 0.000 -10.345) 10.345 3.274 ( 0.000 0.000 3.978) 3.978 3.394 ( 0.000 0.000 -6.073) 6.073 3.446 ( 0.000 0.000 5.083) 5.083 3.550 ( 0.000 0.000 1.693) 1.693 3.884 ( 0.000 0.000 -6.179) 6.179 3.922 ( 0.000 0.000 -15.606) 15.606 3.996 ( 0.000 0.000 -11.419) 11.419 5.147 ( 0.000 0.000 7.882) 7.882 5.384 ( 0.000 0.000 13.336) 13.336 5.448 ( 0.000 0.000 3.634) 3.634 5.641 ( 0.000 0.000 -3.910) 3.910 5.768 ( 0.000 0.000 -1.954) 1.954 5.796 ( 0.000 0.000 -1.255) 1.255 5.824 ( 0.000 0.000 1.404) 1.404 5.852 ( 0.000 0.000 -5.184) 5.184 5.948 ( 0.000 0.000 -2.628) 2.628 5.995 ( 0.000 0.000 0.992) 0.992 6.213 ( 0.000 0.000 -5.456) 5.456 6.218 ( 0.000 0.000 1.896) 1.896 6.629 ( 0.000 0.000 1.545) 1.545 6.753 ( 0.000 0.000 3.774) 3.774 6.774 ( 0.000 0.000 4.671) 4.671 6.796 ( 0.000 0.000 -0.422) 0.422 7.001 ( 0.000 0.000 2.687) 2.687 7.285 ( 0.000 0.000 -4.789) 4.789 7.328 ( 0.000 0.000 -0.383) 0.383 7.360 ( 0.000 0.000 3.443) 3.443 7.394 ( 0.000 0.000 5.335) 5.335 7.786 ( 0.000 0.000 -2.336) 2.336 8.005 ( 0.000 0.000 -0.019) 0.019 8.736 ( 0.000 0.000 -10.040) 10.040 8.850 ( 0.000 0.000 1.072) 1.072 9.028 ( 0.000 0.000 -1.823) 1.823 13.415 ( 0.000 0.000 2.655) 2.655 13.423 ( 0.000 0.000 2.649) 2.649 15.104 ( 0.000 0.000 -0.937) 0.937 15.197 ( 0.000 0.000 1.807) 1.807 15.227 ( 0.000 0.000 -3.006) 3.006 15.406 ( 0.000 0.000 6.226) 6.226 15.765 ( 0.000 0.000 -9.130) 9.130 15.878 ( 0.000 0.000 -3.710) 3.710 ======================= Grid point 171 (52/125) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 3.872 -5.343 12.187) 13.859 0.824 ( 3.477 3.230 19.854) 20.413 1.362 ( 1.361 1.126 -2.558) 3.109 1.599 ( -5.524 -8.424 14.687) 17.809 1.696 ( 7.677 -7.071 12.517) 16.298 1.887 ( -0.987 4.413 1.010) 4.633 2.109 ( -1.716 -6.502 4.161) 7.908 2.169 ( -0.712 -2.935 -5.043) 5.878 2.289 ( -2.405 0.821 1.064) 2.755 2.456 ( -2.306 -1.430 4.160) 4.967 2.556 ( -2.073 4.794 8.885) 10.306 2.811 ( -0.119 1.963 0.129) 1.971 2.855 ( 1.466 7.691 -9.115) 12.016 3.222 ( 3.672 5.271 -2.195) 6.789 3.311 ( -1.790 12.255 0.338) 12.390 3.421 ( 0.980 -0.604 -3.461) 3.647 3.603 ( -2.505 -5.949 3.417) 7.304 3.906 ( 3.122 -1.352 -4.869) 5.939 3.975 ( -0.248 -5.030 -10.911) 12.018 4.051 ( 1.664 -3.911 -6.228) 7.540 5.203 ( 0.620 -5.682 8.177) 9.976 5.394 ( -0.068 -1.195 12.325) 12.383 5.464 ( 0.762 -2.954 3.840) 4.905 5.666 ( -0.244 -0.134 -1.817) 1.838 5.751 ( -0.369 1.615 -1.577) 2.287 5.803 ( -0.748 -0.238 0.835) 1.146 5.829 ( -1.555 -1.014 1.989) 2.721 5.869 ( -0.567 -1.944 -3.054) 3.665 5.949 ( -0.265 -0.474 -2.217) 2.283 6.067 ( 1.491 -6.939 -3.806) 8.053 6.223 ( 0.640 -0.257 2.093) 2.203 6.231 ( 0.352 -2.247 -5.493) 5.945 6.631 ( -0.293 -0.337 1.279) 1.355 6.745 ( -0.672 -0.791 2.829) 3.014 6.797 ( 0.977 0.301 -0.489) 1.133 6.803 ( -1.173 -2.685 3.493) 4.559 7.006 ( -0.363 -0.759 2.216) 2.370 7.284 ( -0.159 0.941 -0.814) 1.255 7.313 ( -0.358 3.214 1.394) 3.522 7.337 ( 0.060 0.438 -1.303) 1.376 7.361 ( 1.417 3.010 5.434) 6.372 7.750 ( -0.987 3.354 -2.398) 4.239 7.975 ( -3.519 1.648 0.515) 3.920 8.709 ( -0.106 2.920 -9.776) 10.204 8.824 ( 0.275 2.959 0.273) 2.985 9.007 ( 1.326 3.007 -3.075) 4.500 13.428 ( 0.921 -1.301 2.729) 3.160 13.444 ( -0.131 -2.166 2.779) 3.526 15.148 ( -0.468 -3.934 -1.944) 4.413 15.195 ( 0.183 0.201 1.462) 1.488 15.215 ( -1.232 0.401 -2.492) 2.809 15.388 ( -0.126 1.611 6.825) 7.014 15.703 ( -5.983 2.560 -5.248) 8.360 15.891 ( 9.517 4.048 -7.488) 12.768 ======================= Grid point 172 (53/125) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 5.275 -6.653 11.613) 14.385 0.891 ( 7.135 -6.467 7.708) 12.335 1.363 ( 1.456 -0.231 -3.140) 3.469 1.684 ( -6.523 -6.767 7.246) 11.868 1.814 ( -1.320 3.170 -0.516) 3.473 1.887 ( 5.387 -6.166 5.934) 10.112 2.130 ( -5.754 1.623 -1.029) 6.067 2.234 ( -4.165 0.997 0.842) 4.364 2.283 ( 4.578 -2.624 2.783) 5.965 2.411 ( -10.823 -0.966 3.145) 11.312 2.555 ( 3.475 -5.502 7.452) 9.893 2.722 ( 3.102 8.183 -11.544) 14.486 2.777 ( -2.989 -0.086 -5.173) 5.975 3.031 ( -0.793 16.481 -4.766) 17.175 3.172 ( 11.108 5.490 -4.278) 13.109 3.417 ( 0.354 1.356 -3.935) 4.177 3.705 ( -6.503 -8.124 6.868) 12.468 3.957 ( 4.547 -1.283 0.012) 4.724 4.062 ( -1.380 -4.069 -2.045) 4.758 4.117 ( 1.722 -1.955 -0.299) 2.623 5.338 ( 0.416 -8.116 8.488) 11.751 5.423 ( 1.214 -1.548 9.573) 9.773 5.582 ( 0.526 -9.235 2.541) 9.593 5.651 ( 0.206 0.939 0.215) 0.985 5.703 ( -2.610 2.709 0.557) 3.802 5.785 ( 1.399 1.334 2.914) 3.496 5.842 ( -2.725 -1.911 3.156) 4.587 5.896 ( -1.089 -1.427 1.226) 2.174 5.964 ( -0.356 -1.593 -0.435) 1.690 6.167 ( 0.005 -2.155 -1.594) 2.680 6.227 ( 0.492 0.421 1.312) 1.464 6.336 ( 2.909 -7.729 -6.601) 10.572 6.637 ( -0.495 -0.681 0.528) 0.994 6.784 ( -1.510 -3.662 0.009) 3.961 6.792 ( 0.851 1.073 -0.565) 1.482 6.850 ( -0.728 -3.341 0.942) 3.547 7.023 ( 1.583 -0.180 0.916) 1.837 7.217 ( -0.193 5.892 4.130) 7.198 7.239 ( -0.697 2.958 1.668) 3.466 7.322 ( 2.679 1.510 4.159) 5.173 7.365 ( 0.975 -1.045 -5.988) 6.156 7.668 ( -1.567 4.321 -2.797) 5.380 7.920 ( -4.800 0.727 0.276) 4.863 8.633 ( 1.019 6.002 -10.027) 11.730 8.751 ( -0.775 4.690 -0.881) 4.834 8.934 ( -1.148 5.102 -4.380) 6.822 13.472 ( 1.490 -2.495 2.992) 4.171 13.493 ( -0.224 -3.221 2.953) 4.375 15.166 ( -2.294 0.442 -0.932) 2.515 15.196 ( 0.116 -0.359 0.376) 0.533 15.234 ( -0.062 -1.282 -1.360) 1.870 15.377 ( -0.025 -1.706 5.270) 5.539 15.622 ( -0.754 4.208 -4.588) 6.271 15.838 ( 5.052 6.875 -7.459) 11.332 ======================= Grid point 173 (54/125) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 6.395 -6.457 4.584) 10.178 1.104 ( 6.510 -12.679 1.380) 14.319 1.383 ( -0.133 -1.230 -2.242) 2.561 1.740 ( -1.198 1.743 -0.296) 2.136 1.771 ( -4.401 -4.300 4.894) 7.862 1.939 ( -0.908 4.423 0.690) 4.568 2.064 ( -1.621 -1.567 -2.503) 3.369 2.160 ( -10.075 1.938 0.734) 10.286 2.241 ( 1.795 3.795 -0.305) 4.210 2.434 ( -7.179 -2.473 -7.999) 11.029 2.560 ( -0.423 11.541 -9.932) 15.232 2.685 ( 0.973 7.225 -7.501) 10.460 2.763 ( 5.975 -5.279 6.403) 10.226 2.901 ( -1.477 -8.784 -8.349) 12.209 3.162 ( 15.481 5.743 -4.233) 17.046 3.387 ( 0.097 2.022 -2.676) 3.356 3.792 ( -7.952 -6.667 8.488) 13.406 4.012 ( 2.766 -2.078 6.614) 7.464 4.061 ( -0.088 3.108 7.193) 7.836 4.157 ( -0.340 -1.637 3.099) 3.521 5.437 ( 0.273 -2.145 9.241) 9.490 5.504 ( 0.399 -6.644 4.437) 7.999 5.626 ( -2.817 1.796 4.014) 5.223 5.656 ( 0.386 -0.455 0.343) 0.688 5.722 ( 0.877 -2.704 1.252) 3.106 5.785 ( 1.501 0.314 0.368) 1.577 5.870 ( -0.975 -2.033 5.436) 5.885 5.921 ( -0.043 -2.314 4.989) 5.500 6.033 ( -1.077 -8.867 3.291) 9.519 6.181 ( 0.176 -0.209 1.749) 1.771 6.211 ( -0.407 1.338 1.381) 1.965 6.491 ( 3.655 -6.690 -4.877) 9.050 6.647 ( 0.043 -0.324 -0.263) 0.419 6.765 ( -0.411 2.032 -0.756) 2.207 6.817 ( -2.301 -1.042 0.613) 2.599 6.879 ( -2.007 3.096 1.786) 4.100 6.996 ( 1.414 1.352 -0.788) 2.109 7.154 ( 1.003 2.423 2.876) 3.892 7.210 ( 1.998 -0.301 -0.245) 2.035 7.326 ( 3.362 1.437 -0.430) 3.681 7.386 ( 1.637 -1.323 -5.229) 5.637 7.588 ( -2.199 3.188 -3.600) 5.288 7.920 ( -4.297 -5.002 -2.070) 6.911 8.495 ( 0.904 10.304 -9.844) 14.279 8.670 ( 0.008 3.283 -2.236) 3.972 8.819 ( -4.134 5.355 -4.656) 8.213 13.530 ( 1.400 -2.670 3.243) 4.428 13.549 ( -0.131 -2.847 3.040) 4.167 15.146 ( -1.491 0.031 0.413) 1.548 15.217 ( -0.312 1.048 0.952) 1.450 15.220 ( -0.268 -1.464 -0.343) 1.527 15.449 ( 0.373 -5.018 0.919) 5.115 15.529 ( 3.140 7.242 -5.611) 9.684 15.733 ( -0.213 5.926 -4.503) 7.446 ======================= Grid point 174 (55/125) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 6.079 -4.996 1.668) 8.044 1.279 ( -3.171 -0.207 -1.003) 3.332 1.479 ( 4.385 -11.678 -0.584) 12.488 1.686 ( 0.567 5.541 -0.562) 5.598 1.800 ( -6.377 -1.266 1.139) 6.601 1.807 ( 2.200 6.287 -3.064) 7.332 2.101 ( -11.150 -5.095 1.415) 12.341 2.138 ( -1.930 -5.458 -3.941) 7.003 2.181 ( 6.567 5.664 1.308) 8.770 2.306 ( -1.445 11.632 -8.319) 14.374 2.457 ( -5.201 -4.439 -12.564) 14.304 2.543 ( 5.626 8.517 -12.413) 16.070 2.933 ( -3.598 -9.542 -5.581) 11.625 3.027 ( 4.919 2.029 -9.202) 10.629 3.208 ( 8.612 -4.205 1.849) 9.760 3.333 ( -1.365 4.316 -0.545) 4.559 3.855 ( -6.005 -6.293 10.901) 13.946 3.954 ( 1.807 7.105 11.450) 13.596 4.094 ( 1.789 -3.540 9.520) 10.313 4.153 ( -1.326 1.502 7.540) 7.801 5.475 ( 1.914 -1.716 6.563) 7.048 5.525 ( -3.307 1.731 5.185) 6.389 5.667 ( -1.163 -5.587 2.004) 6.049 5.687 ( 1.125 -2.464 1.951) 3.338 5.721 ( 0.868 1.952 1.879) 2.845 5.762 ( 0.545 3.324 0.034) 3.368 5.897 ( 1.157 -1.638 6.866) 7.153 5.933 ( -1.136 0.810 6.571) 6.717 6.169 ( 1.131 -0.386 2.126) 2.439 6.181 ( -1.541 0.502 1.953) 2.538 6.299 ( -0.136 -15.919 4.223) 16.470 6.557 ( 0.433 8.457 0.296) 8.473 6.647 ( 3.997 -2.112 -1.491) 4.760 6.716 ( -1.637 2.548 -1.225) 3.267 6.767 ( -0.693 1.665 2.683) 3.233 6.796 ( -1.584 1.992 1.098) 2.772 7.041 ( -3.638 -4.968 -1.216) 6.276 7.105 ( 2.747 4.262 1.260) 5.224 7.246 ( 3.076 -1.112 -1.610) 3.646 7.290 ( -0.790 2.475 -3.147) 4.081 7.452 ( 4.821 -2.529 -4.627) 7.145 7.522 ( -3.808 2.200 -4.439) 6.249 8.056 ( -1.426 -11.699 -5.821) 13.145 8.283 ( -0.066 13.054 -8.397) 15.522 8.649 ( 3.183 0.136 -3.647) 4.843 8.706 ( -5.056 3.327 -4.342) 7.449 13.576 ( 0.872 -1.349 3.269) 3.642 13.583 ( -0.318 -0.975 3.155) 3.317 15.149 ( -0.480 -1.087 1.407) 1.842 15.177 ( -0.147 2.017 2.048) 2.878 15.288 ( -1.342 -5.790 -3.345) 6.820 15.404 ( 3.006 8.326 -5.263) 10.299 15.544 ( 1.094 -4.689 -0.676) 4.862 15.634 ( -1.762 4.443 -1.939) 5.158 ======================= Grid point 180 (56/125) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( 7.727 -0.000 13.271) 15.357 0.904 ( 5.363 -0.000 19.404) 20.132 1.394 ( 3.226 -0.000 -1.963) 3.776 1.487 ( -0.503 0.000 18.513) 18.519 1.674 ( 7.341 -0.000 13.536) 15.399 1.958 ( -2.398 0.000 2.295) 3.319 1.990 ( -4.390 0.000 3.934) 5.895 2.131 ( -1.652 0.000 -7.135) 7.324 2.270 ( -4.197 0.000 0.327) 4.210 2.432 ( -2.819 0.000 7.659) 8.162 2.571 ( -5.897 0.000 6.730) 8.948 2.847 ( 2.519 -0.000 4.444) 5.108 2.943 ( 1.559 -0.000 -8.571) 8.711 3.305 ( 4.105 -0.000 4.625) 6.184 3.376 ( -2.672 0.000 -6.049) 6.613 3.452 ( 1.202 -0.000 4.273) 4.438 3.522 ( -5.557 0.000 0.007) 5.557 3.919 ( 5.743 -0.000 -8.578) 10.323 3.930 ( 1.134 -0.000 -14.901) 14.944 4.025 ( 3.862 -0.000 -9.626) 10.372 5.156 ( 1.313 -0.000 7.992) 8.099 5.376 ( -0.985 0.000 11.908) 11.949 5.463 ( 2.035 -0.000 4.980) 5.380 5.636 ( -0.680 0.000 -4.066) 4.122 5.766 ( -0.575 0.000 -2.325) 2.395 5.789 ( -0.912 0.000 -1.267) 1.561 5.806 ( -2.461 0.000 1.594) 2.932 5.848 ( -0.869 0.000 -4.751) 4.830 5.945 ( -0.501 0.000 -2.536) 2.585 6.015 ( 2.798 -0.000 1.520) 3.184 6.210 ( -0.362 0.000 -2.779) 2.803 6.230 ( 1.734 -0.000 0.621) 1.842 6.626 ( -0.394 0.000 1.755) 1.799 6.739 ( -1.947 0.000 3.154) 3.707 6.756 ( -2.330 0.000 4.862) 5.391 6.810 ( 1.937 -0.000 -0.709) 2.063 6.992 ( -1.575 0.000 2.761) 3.179 7.287 ( -0.025 0.000 -3.197) 3.198 7.329 ( 0.277 -0.000 -2.093) 2.111 7.359 ( 0.036 -0.000 4.289) 4.290 7.401 ( 0.933 -0.000 6.514) 6.580 7.773 ( -1.918 0.000 -2.882) 3.461 7.954 ( -6.824 0.000 2.953) 7.435 8.731 ( -0.675 0.000 -7.886) 7.915 8.858 ( 0.974 -0.000 -0.922) 1.341 9.059 ( 3.994 -0.000 -7.383) 8.395 13.421 ( -0.288 0.000 2.672) 2.688 13.427 ( 1.592 -0.000 2.655) 3.096 15.104 ( -0.085 0.000 -0.953) 0.956 15.199 ( 0.316 -0.000 1.920) 1.946 15.206 ( -2.716 0.000 -2.499) 3.691 15.405 ( -0.151 0.000 6.149) 6.150 15.670 ( -7.598 0.000 0.025) 7.598 16.022 ( 14.125 -0.000 -14.865) 20.505 ======================= Grid point 181 (57/125) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 8.814 -4.112 11.731) 15.238 0.912 ( 9.664 1.871 16.794) 19.466 1.396 ( 3.564 1.815 -1.878) 4.419 1.537 ( -3.844 -4.997 8.159) 10.311 1.810 ( 8.342 -6.581 10.730) 15.101 1.854 ( -4.007 3.394 4.570) 6.962 2.055 ( -6.902 -5.603 4.247) 9.852 2.149 ( -2.392 -4.272 -3.276) 5.891 2.247 ( -2.592 0.570 -1.145) 2.891 2.407 ( -4.272 1.207 7.294) 8.539 2.512 ( -3.772 0.330 4.431) 5.828 2.818 ( 1.265 4.233 2.715) 5.186 2.891 ( 3.807 6.786 -8.517) 11.537 3.269 ( -3.860 10.137 -1.166) 10.910 3.307 ( 7.462 2.483 -1.455) 7.998 3.442 ( 2.098 1.080 -0.988) 2.558 3.528 ( -8.579 -5.643 2.724) 10.624 3.971 ( 2.452 -2.385 -9.009) 9.636 3.983 ( 4.838 -2.316 -8.127) 9.737 4.083 ( 2.859 -2.839 -5.506) 6.822 5.219 ( 1.958 -5.503 8.398) 10.229 5.392 ( -0.260 -2.345 10.827) 11.081 5.482 ( 1.884 -1.993 4.761) 5.495 5.660 ( -0.651 -0.677 -2.423) 2.599 5.738 ( -1.986 2.588 -0.444) 3.292 5.783 ( -2.285 -1.288 0.391) 2.652 5.797 ( -2.614 -0.818 1.990) 3.385 5.855 ( -1.384 -1.500 -3.606) 4.144 5.944 ( -0.478 -0.445 -2.109) 2.207 6.102 ( 3.539 -5.546 -2.014) 6.880 6.238 ( 0.661 -3.750 -3.622) 5.255 6.242 ( 2.362 0.040 2.462) 3.412 6.625 ( -0.539 -0.266 1.593) 1.703 6.729 ( -1.626 -1.330 2.241) 3.072 6.777 ( -2.442 -3.124 3.131) 5.052 6.819 ( 2.113 0.451 -0.764) 2.292 6.995 ( -1.318 -1.906 1.993) 3.057 7.275 ( -1.109 1.503 0.634) 1.972 7.316 ( 0.850 3.332 2.323) 4.150 7.340 ( 0.507 0.403 -2.172) 2.266 7.386 ( 2.089 1.737 6.113) 6.690 7.727 ( -2.300 3.167 -3.327) 5.137 7.897 ( -7.518 0.888 3.488) 8.336 8.707 ( -0.031 2.186 -7.029) 7.361 8.829 ( 0.395 3.746 -2.281) 4.403 9.034 ( 2.315 5.222 -9.406) 11.005 13.439 ( -0.268 -2.215 2.651) 3.465 13.449 ( 1.705 -1.260 2.907) 3.598 15.135 ( -1.561 -2.331 -1.423) 3.146 15.193 ( -1.553 -1.184 -2.040) 2.824 15.199 ( 0.404 0.117 1.601) 1.656 15.385 ( -0.269 1.624 6.657) 6.857 15.631 ( -4.366 -0.180 0.741) 4.432 16.038 ( 11.262 7.595 -16.171) 21.119 ======================= Grid point 182 (58/125) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 9.649 -6.372 10.037) 15.311 1.015 ( 11.362 -4.582 6.430) 13.836 1.388 ( 2.197 1.117 -1.672) 2.978 1.605 ( -5.001 -6.080 5.389) 9.540 1.775 ( -5.065 1.136 0.856) 5.261 1.933 ( -0.282 -2.672 2.796) 3.878 2.053 ( -5.676 0.146 -2.025) 6.029 2.166 ( -5.737 4.091 3.773) 7.993 2.263 ( -8.767 -1.032 -2.995) 9.321 2.328 ( 1.418 -3.378 1.274) 3.878 2.622 ( 7.035 -8.736 11.252) 15.888 2.746 ( -1.225 2.152 -2.927) 3.834 2.770 ( 3.853 9.230 -10.420) 14.443 3.017 ( -1.278 13.846 -7.270) 15.690 3.338 ( 12.179 2.034 -1.669) 12.460 3.422 ( 0.405 2.005 -2.626) 3.329 3.600 ( -7.988 -7.839 6.501) 12.943 4.010 ( 2.729 -0.108 -1.258) 3.007 4.052 ( -0.203 -3.072 -1.540) 3.442 4.133 ( 0.728 -1.145 0.202) 1.372 5.347 ( 1.017 -6.511 9.777) 11.791 5.445 ( 2.071 -2.667 7.347) 8.086 5.589 ( 0.390 -8.483 1.872) 8.696 5.651 ( -0.686 1.099 2.856) 3.136 5.662 ( -2.875 2.120 0.167) 3.576 5.797 ( -1.769 -0.586 0.567) 1.948 5.808 ( -0.140 -2.403 3.706) 4.419 5.875 ( -2.141 -1.999 -0.363) 2.952 5.957 ( -0.602 -1.421 -0.407) 1.596 6.173 ( 1.011 -1.166 0.879) 1.776 6.239 ( 1.087 1.420 1.107) 2.103 6.381 ( 3.987 -8.247 -3.901) 9.956 6.631 ( -0.252 -0.796 0.702) 1.090 6.758 ( -2.335 -2.657 0.027) 3.538 6.794 ( -1.124 0.690 -0.198) 1.334 6.846 ( 0.420 -2.514 0.810) 2.674 7.052 ( 2.802 -2.799 -0.540) 3.997 7.216 ( 0.135 5.632 4.762) 7.377 7.234 ( -0.150 2.656 0.974) 2.833 7.355 ( 2.241 -0.863 2.034) 3.147 7.385 ( 2.058 0.412 -3.581) 4.150 7.645 ( -1.809 4.188 -4.000) 6.068 7.834 ( -7.960 -0.216 2.323) 8.295 8.650 ( 1.561 5.359 -8.655) 10.299 8.736 ( -1.431 5.287 -1.954) 5.815 8.916 ( -1.512 7.640 -7.820) 11.036 13.488 ( -0.260 -3.071 3.120) 4.385 13.496 ( 1.740 -2.625 2.704) 4.151 15.133 ( -2.385 -0.118 -0.159) 2.394 15.198 ( 0.167 -0.223 0.622) 0.682 15.232 ( -0.145 -1.056 -1.178) 1.589 15.377 ( -0.038 -2.030 4.923) 5.325 15.610 ( -1.071 0.951 -0.935) 1.711 15.915 ( 6.155 11.679 -13.035) 18.552 ======================= Grid point 183 (59/125) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 8.931 -4.839 3.972) 10.907 1.210 ( 9.150 -8.657 0.388) 12.602 1.384 ( 0.622 -0.761 0.093) 0.987 1.687 ( -4.375 -5.915 3.471) 8.135 1.737 ( -3.571 0.321 -0.334) 3.601 1.917 ( -5.809 1.948 0.008) 6.127 1.995 ( -7.592 3.187 -0.976) 8.292 2.051 ( -3.080 -0.016 -0.598) 3.137 2.226 ( -2.713 -1.714 -3.911) 5.059 2.398 ( -0.731 0.149 -6.156) 6.201 2.554 ( 0.084 12.895 -7.148) 14.744 2.683 ( -1.385 2.032 -5.635) 6.148 2.828 ( 2.894 5.126 -9.470) 11.151 2.938 ( 8.130 -12.314 3.235) 15.106 3.340 ( 7.102 5.916 -1.093) 9.307 3.407 ( 6.472 1.981 -3.696) 7.711 3.679 ( -8.724 -6.865 7.749) 13.538 4.033 ( 0.609 -1.176 6.841) 6.968 4.058 ( -0.680 1.440 7.290) 7.462 4.147 ( -1.272 -0.823 3.931) 4.213 5.439 ( 0.187 -3.547 10.375) 10.966 5.514 ( 0.818 -2.108 2.918) 3.692 5.590 ( -1.998 -0.510 3.113) 3.733 5.659 ( -0.168 -0.937 0.097) 0.957 5.736 ( 0.614 -3.791 0.935) 3.952 5.781 ( -1.301 0.999 1.187) 2.025 5.882 ( 2.269 -1.446 4.059) 4.870 5.917 ( -0.598 -4.156 4.128) 5.889 6.014 ( -1.586 -9.308 3.295) 10.001 6.181 ( 0.039 0.696 4.060) 4.120 6.213 ( 0.457 1.177 1.203) 1.743 6.542 ( 4.021 -6.190 -2.563) 7.814 6.650 ( 0.624 -1.182 -0.044) 1.337 6.750 ( -1.715 1.955 -1.396) 2.952 6.788 ( -2.292 -0.869 -0.360) 2.477 6.862 ( -0.821 2.072 2.009) 3.001 7.005 ( -0.035 5.947 1.752) 6.200 7.168 ( 1.359 1.933 4.197) 4.817 7.245 ( 3.242 -1.903 -2.412) 4.466 7.362 ( 1.870 3.733 -4.531) 6.161 7.423 ( 3.900 -3.780 -3.321) 6.366 7.560 ( -1.674 3.900 -4.659) 6.302 7.848 ( -6.544 -7.925 -1.014) 10.328 8.501 ( -0.091 11.310 -8.563) 14.186 8.673 ( 0.184 1.345 -3.208) 3.483 8.763 ( -3.785 6.605 -5.643) 9.476 13.541 ( -0.065 -2.729 3.367) 4.334 13.554 ( 1.222 -2.451 2.664) 3.820 15.128 ( -1.212 -0.714 0.941) 1.692 15.213 ( -0.288 1.385 1.075) 1.777 15.216 ( -0.288 -1.311 -0.265) 1.368 15.454 ( 0.370 -5.359 0.816) 5.434 15.568 ( 2.528 4.833 -3.660) 6.568 15.733 ( 0.212 9.778 -7.540) 12.350 ======================= Grid point 184 (60/125) ======================= q-point: ( 0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -1.493 2.262 0.455) 2.748 1.294 ( 7.442 -1.416 1.043) 7.647 1.547 ( 5.489 -10.575 -1.227) 11.977 1.665 ( -5.518 6.368 -0.335) 8.433 1.707 ( -3.888 1.819 -0.723) 4.353 1.850 ( 1.113 0.618 -2.482) 2.789 1.968 ( -7.999 -8.902 2.857) 12.304 2.122 ( 0.252 -7.171 -5.738) 9.187 2.254 ( 3.239 0.022 -0.135) 3.242 2.285 ( -1.797 9.049 -9.394) 13.167 2.417 ( -0.189 1.272 -7.002) 7.119 2.605 ( 3.566 6.211 -12.941) 14.791 2.833 ( -8.340 -5.370 -11.959) 15.537 3.136 ( 8.701 0.448 -1.924) 8.922 3.269 ( -0.323 2.349 2.799) 3.669 3.361 ( 6.318 8.016 -5.112) 11.415 3.771 ( -6.399 -10.023 11.899) 16.822 3.979 ( 1.957 4.856 11.712) 12.828 4.107 ( 0.184 -3.890 9.138) 9.934 4.133 ( -1.749 1.402 8.318) 8.615 5.486 ( -1.556 0.498 5.391) 5.633 5.507 ( 1.758 -1.789 7.082) 7.513 5.650 ( -1.102 -3.732 0.501) 3.923 5.687 ( -0.709 -2.578 1.533) 3.082 5.739 ( 1.476 2.327 1.965) 3.384 5.769 ( 0.208 1.210 0.321) 1.269 5.876 ( -2.396 1.073 6.633) 7.133 5.952 ( 2.267 -0.638 6.032) 6.475 6.161 ( -1.005 0.442 3.054) 3.245 6.189 ( 1.238 -1.192 1.494) 2.278 6.298 ( -0.011 -15.460 5.202) 16.311 6.562 ( 0.201 9.799 1.300) 9.887 6.686 ( 0.660 -0.668 -1.497) 1.767 6.691 ( -1.076 2.555 -1.919) 3.372 6.758 ( -0.036 0.021 1.146) 1.147 6.799 ( 1.856 1.613 2.102) 3.235 6.990 ( -4.237 -4.486 -0.021) 6.170 7.141 ( 2.548 2.546 2.661) 4.478 7.282 ( -0.062 4.586 -4.195) 6.215 7.287 ( 2.989 0.039 -2.636) 3.986 7.458 ( -4.130 1.851 -5.029) 6.766 7.526 ( 4.661 -0.631 -4.732) 6.673 8.031 ( -2.277 -14.224 -6.233) 15.696 8.277 ( -0.730 12.567 -7.386) 14.595 8.638 ( -4.316 2.101 -3.970) 6.229 8.697 ( 3.103 -0.881 -4.546) 5.574 13.574 ( -0.506 -0.952 3.267) 3.441 13.590 ( 0.824 -0.696 3.048) 3.234 15.144 ( -0.347 -1.556 1.729) 2.352 15.176 ( -0.001 1.698 1.793) 2.470 15.271 ( -1.109 -4.775 -2.788) 5.640 15.445 ( 3.133 9.748 -6.076) 11.906 15.556 ( 0.665 -5.045 -0.886) 5.165 15.609 ( -1.973 3.716 -1.650) 4.519 ======================= Grid point 185 (61/125) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( -3.626 5.998 2.209) 7.349 1.322 ( 2.727 9.613 -1.837) 10.160 1.441 ( -1.213 7.261 -1.623) 7.538 1.645 ( -4.607 -4.567 -0.844) 6.541 1.806 ( 2.618 -9.309 -1.559) 9.795 1.874 ( 3.091 0.449 3.395) 4.613 2.111 ( -3.005 -5.512 -0.441) 6.293 2.142 ( -0.965 3.581 -3.585) 5.158 2.247 ( 9.344 3.455 0.273) 9.966 2.323 ( 1.245 -13.931 -7.318) 15.785 2.463 ( -5.671 -8.067 -11.353) 15.038 2.549 ( 8.234 3.766 -14.022) 16.692 2.855 ( -10.066 -2.415 -9.036) 13.740 3.038 ( -1.413 8.014 2.528) 8.521 3.137 ( 0.961 12.763 -6.104) 14.180 3.347 ( 0.315 -2.390 -0.824) 2.548 3.924 ( 4.403 3.576 10.384) 11.833 3.934 ( -1.092 -9.469 11.255) 14.749 4.063 ( -2.742 4.134 10.208) 11.350 4.166 ( 0.622 -1.443 7.101) 7.273 5.455 ( -1.084 1.117 5.860) 6.063 5.574 ( 3.902 -2.247 6.527) 7.929 5.666 ( -1.277 1.664 2.014) 2.908 5.679 ( 0.429 5.055 2.492) 5.652 5.704 ( -2.237 0.369 1.698) 2.833 5.761 ( 0.397 -2.305 0.452) 2.382 5.869 ( -1.923 -1.828 5.492) 6.100 5.960 ( 1.757 1.750 7.467) 7.868 6.154 ( -0.843 -0.088 2.059) 2.227 6.205 ( 1.729 -0.366 2.325) 2.920 6.300 ( -0.030 15.853 3.874) 16.319 6.553 ( 0.029 -6.167 -0.882) 6.230 6.595 ( -3.456 0.619 -2.292) 4.193 6.728 ( 0.292 -2.041 -0.137) 2.067 6.778 ( 1.000 -3.095 2.802) 4.293 6.826 ( 2.347 -1.163 1.189) 2.877 7.063 ( -1.939 -4.386 0.597) 4.832 7.095 ( 3.048 4.863 -2.734) 6.358 7.204 ( -3.244 1.499 -0.502) 3.609 7.305 ( 1.424 0.272 -2.442) 2.840 7.393 ( -3.749 1.441 -4.398) 5.956 7.567 ( 2.675 -1.012 -3.844) 4.791 8.068 ( 0.500 9.585 -5.436) 11.031 8.278 ( -0.602 -13.270 -9.359) 16.249 8.614 ( -1.827 -1.956 -2.899) 3.946 8.765 ( 3.446 -3.733 -4.783) 6.977 13.563 ( -0.777 1.612 3.239) 3.701 13.588 ( 0.301 1.334 3.341) 3.610 15.155 ( 0.383 0.414 0.968) 1.120 15.179 ( 0.203 -2.121 2.364) 3.182 15.303 ( 0.922 6.674 -3.872) 7.771 15.371 ( -1.875 -7.099 -4.654) 8.693 15.531 ( -0.845 4.076 -0.447) 4.187 15.652 ( 0.999 -4.639 -2.026) 5.160 ======================= Grid point 186 (62/125) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -2.476 7.029 4.677) 8.798 1.047 ( -2.235 15.014 2.348) 15.360 1.385 ( 0.127 2.465 -4.050) 4.743 1.736 ( -0.547 -5.939 -1.205) 6.084 1.836 ( 3.746 5.288 8.926) 11.031 1.947 ( -0.074 0.770 -0.167) 0.791 2.080 ( 1.343 -4.889 -2.022) 5.459 2.192 ( -3.643 -3.741 0.313) 5.231 2.253 ( 3.677 0.647 -1.494) 4.022 2.554 ( 3.770 -3.248 -8.529) 9.875 2.564 ( 4.312 -2.431 -10.469) 11.580 2.671 ( -0.718 -16.823 -6.636) 18.099 2.705 ( -2.491 11.876 9.095) 15.164 2.929 ( 1.743 9.347 -8.565) 12.797 2.984 ( -9.752 -6.458 -5.794) 13.053 3.386 ( -0.107 -1.905 -3.255) 3.773 3.883 ( 5.856 6.390 8.909) 12.430 3.961 ( -4.604 2.730 6.585) 8.486 4.064 ( 0.259 -4.468 6.954) 8.270 4.159 ( -0.026 2.548 2.577) 3.624 5.433 ( -0.210 0.978 8.026) 8.088 5.503 ( 0.087 9.408 6.395) 11.376 5.637 ( -0.395 -0.036 3.138) 3.163 5.676 ( 2.911 -2.213 0.843) 3.752 5.710 ( -1.424 -0.140 2.156) 2.588 5.757 ( -1.743 2.737 0.640) 3.307 5.893 ( 1.643 -0.141 4.804) 5.079 5.917 ( -0.593 2.478 5.888) 6.416 6.041 ( 0.298 8.823 3.364) 9.447 6.175 ( -0.419 -0.389 0.523) 0.775 6.222 ( 0.857 -0.342 2.411) 2.581 6.453 ( -1.740 6.850 -7.048) 9.981 6.647 ( 0.014 -0.348 -0.299) 0.459 6.765 ( -0.130 -1.614 -0.160) 1.627 6.843 ( 1.207 0.799 1.210) 1.886 6.912 ( 2.474 -5.958 2.148) 6.799 6.971 ( -2.133 5.066 -4.537) 7.127 7.141 ( -0.705 -3.402 2.191) 4.107 7.194 ( -0.505 -1.847 1.970) 2.747 7.291 ( -1.506 0.431 1.607) 2.244 7.374 ( -0.407 0.041 -5.796) 5.811 7.610 ( 0.974 -2.789 -2.767) 4.047 7.958 ( 1.471 3.311 -2.762) 4.556 8.483 ( -0.600 -9.855 -10.620) 14.501 8.672 ( 0.139 -4.499 -1.749) 4.829 8.860 ( 1.732 -4.545 -4.116) 6.372 13.515 ( -0.653 2.928 3.234) 4.411 13.550 ( 0.078 2.869 3.283) 4.360 15.162 ( 0.770 -0.739 -0.081) 1.071 15.220 ( 0.202 -1.334 1.407) 1.949 15.222 ( 0.048 2.123 -0.879) 2.298 15.445 ( -0.149 4.823 0.982) 4.925 15.496 ( -1.530 -7.855 -6.191) 10.118 15.736 ( 0.155 -4.141 -3.057) 5.150 ======================= Grid point 187 (63/125) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -0.000 6.656 12.374) 14.051 0.842 ( -0.000 7.498 8.276) 11.168 1.353 ( -0.000 0.750 -3.698) 3.773 1.747 ( -0.000 5.741 8.278) 10.074 1.820 ( 0.000 -2.621 1.742) 3.147 1.832 ( -0.000 7.905 3.810) 8.775 2.204 ( -0.000 0.274 -2.850) 2.863 2.209 ( 0.000 -0.359 5.489) 5.500 2.272 ( 0.000 -1.423 0.664) 1.570 2.495 ( -0.000 2.854 13.280) 13.583 2.527 ( -0.000 4.657 -2.405) 5.241 2.699 ( 0.000 -8.031 -12.214) 14.618 2.804 ( -0.000 1.134 -4.809) 4.941 3.037 ( 0.000 -17.374 -3.795) 17.784 3.089 ( 0.000 -7.637 -6.337) 9.923 3.415 ( 0.000 -1.183 -4.455) 4.609 3.751 ( -0.000 8.901 7.965) 11.944 3.920 ( -0.000 1.241 -0.240) 1.264 4.080 ( -0.000 5.641 -3.734) 6.765 4.097 ( -0.000 0.973 0.937) 1.351 5.335 ( -0.000 8.779 7.906) 11.814 5.414 ( -0.000 1.147 10.543) 10.605 5.578 ( -0.000 9.218 2.755) 9.621 5.649 ( 0.000 -1.014 0.162) 1.027 5.722 ( 0.000 -1.776 -1.321) 2.213 5.773 ( 0.000 -2.971 4.189) 5.135 5.862 ( -0.000 2.217 3.882) 4.470 5.903 ( -0.000 0.958 1.902) 2.129 5.966 ( -0.000 1.480 -0.695) 1.635 6.168 ( -0.000 2.360 -2.649) 3.548 6.226 ( -0.000 0.177 2.360) 2.367 6.314 ( -0.000 7.446 -8.471) 11.278 6.641 ( -0.000 0.604 0.513) 0.793 6.785 ( 0.000 -0.778 -0.352) 0.854 6.794 ( -0.000 4.410 -0.591) 4.449 6.856 ( -0.000 3.090 0.786) 3.188 7.013 ( 0.000 -0.982 1.693) 1.958 7.218 ( 0.000 -6.006 3.427) 6.915 7.247 ( 0.000 -3.068 1.800) 3.557 7.299 ( 0.000 -2.236 4.821) 5.314 7.359 ( -0.000 1.474 -6.042) 6.219 7.680 ( 0.000 -4.359 -2.276) 4.917 7.953 ( 0.000 -1.369 -0.930) 1.655 8.626 ( 0.000 -6.304 -10.625) 12.354 8.756 ( 0.000 -4.433 -0.415) 4.452 8.942 ( 0.000 -3.961 -2.821) 4.863 13.461 ( -0.000 2.602 3.020) 3.986 13.494 ( -0.000 3.171 3.025) 4.383 15.184 ( 0.000 -0.827 -1.423) 1.646 15.195 ( -0.000 0.490 0.344) 0.599 15.234 ( -0.000 1.377 -1.451) 2.000 15.378 ( -0.000 1.556 5.430) 5.648 15.627 ( 0.000 -6.941 -7.733) 10.391 15.801 ( 0.000 -3.321 -3.319) 4.695 ======================= Grid point 190 (64/125) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 11.375 -0.000 11.599) 16.246 1.003 ( 9.452 -0.000 17.831) 20.181 1.449 ( 4.944 -0.000 -1.354) 5.126 1.478 ( -0.784 0.000 6.486) 6.534 1.800 ( 8.334 -0.000 10.589) 13.475 1.882 ( -7.130 0.000 10.686) 12.846 1.902 ( -8.884 0.000 5.461) 10.429 2.101 ( -2.802 0.000 -8.539) 8.987 2.244 ( 2.029 -0.000 0.528) 2.097 2.395 ( -2.356 0.000 9.097) 9.397 2.483 ( -7.100 0.000 2.491) 7.524 2.878 ( 1.952 -0.000 7.233) 7.492 2.983 ( 4.236 -0.000 -7.052) 8.226 3.320 ( -6.881 0.000 -5.661) 8.910 3.360 ( 3.689 -0.000 5.636) 6.736 3.404 ( -10.634 0.000 0.829) 10.666 3.482 ( 3.474 -0.000 2.424) 4.236 3.949 ( 1.599 -0.000 -13.168) 13.265 4.011 ( 6.799 -0.000 -12.400) 14.142 4.089 ( 5.694 -0.000 -8.410) 10.157 5.182 ( 2.713 -0.000 7.961) 8.410 5.362 ( -1.072 0.000 10.914) 10.967 5.493 ( 2.248 -0.000 6.318) 6.706 5.626 ( -0.800 0.000 -4.399) 4.471 5.742 ( -2.999 0.000 -3.311) 4.467 5.766 ( -3.465 0.000 2.734) 4.414 5.783 ( 0.060 -0.000 -1.006) 1.007 5.831 ( -1.453 0.000 -4.577) 4.802 5.937 ( -0.582 0.000 -2.503) 2.570 6.062 ( 4.151 -0.000 2.848) 5.034 6.203 ( -0.642 0.000 -1.019) 1.205 6.265 ( 3.687 -0.000 2.346) 4.370 6.620 ( -0.437 0.000 2.279) 2.321 6.708 ( -2.582 0.000 1.636) 3.057 6.724 ( -2.299 0.000 4.588) 5.132 6.840 ( 2.360 -0.000 -1.239) 2.665 6.959 ( -3.448 0.000 2.806) 4.445 7.276 ( -1.694 0.000 -1.194) 2.073 7.339 ( 1.301 -0.000 -4.771) 4.945 7.365 ( 0.745 -0.000 5.086) 5.141 7.417 ( 1.595 -0.000 10.603) 10.722 7.740 ( -2.857 0.000 -4.061) 4.965 7.854 ( -7.700 0.000 4.750) 9.047 8.724 ( -0.274 0.000 -4.639) 4.647 8.871 ( 0.876 -0.000 -3.894) 3.991 9.112 ( 3.604 -0.000 -15.843) 16.248 13.416 ( -0.452 0.000 2.725) 2.762 13.449 ( 1.573 -0.000 2.957) 3.349 15.103 ( -0.114 0.000 -0.986) 0.993 15.168 ( -2.702 0.000 -1.686) 3.185 15.205 ( 0.478 -0.000 2.205) 2.256 15.403 ( -0.237 0.000 5.949) 5.954 15.595 ( -4.028 0.000 3.722) 5.484 16.191 ( 10.962 -0.000 -21.602) 24.224 ======================= Grid point 191 (65/125) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 11.704 -2.929 10.958) 16.299 1.062 ( 12.831 -0.025 13.552) 18.662 1.444 ( 2.750 2.631 -0.177) 3.810 1.504 ( -0.537 -2.669 3.416) 4.368 1.744 ( -11.218 1.549 4.180) 12.071 1.865 ( -8.038 -2.309 3.896) 9.226 1.980 ( 1.349 -4.764 5.572) 7.454 2.119 ( -1.161 -4.889 -3.749) 6.269 2.242 ( 1.521 3.422 0.917) 3.855 2.358 ( -3.465 3.935 6.724) 8.526 2.491 ( 2.226 -7.679 4.789) 9.320 2.837 ( 1.333 5.122 6.377) 8.287 2.949 ( 4.787 6.541 -8.187) 11.521 3.206 ( -5.509 8.635 -5.399) 11.578 3.317 ( -11.016 -3.321 4.716) 12.435 3.461 ( 1.540 -2.540 -0.531) 3.017 3.489 ( 6.555 -0.544 3.500) 7.451 3.984 ( 1.055 -2.740 -8.884) 9.357 4.059 ( 4.723 0.610 -10.117) 11.182 4.120 ( 2.559 -0.426 -5.382) 5.974 5.253 ( 3.118 -5.128 8.639) 10.519 5.386 ( -0.732 -3.520 9.582) 10.234 5.509 ( 2.201 -1.318 5.566) 6.129 5.650 ( -0.765 -1.210 -3.491) 3.773 5.697 ( -3.803 3.381 2.192) 5.540 5.746 ( -3.248 -1.841 0.386) 3.754 5.772 ( -1.227 -0.607 0.464) 1.445 5.835 ( -1.537 -0.967 -4.096) 4.481 5.939 ( -0.267 -0.571 -2.059) 2.153 6.149 ( 3.131 -3.268 0.371) 4.541 6.251 ( 1.689 -5.965 -1.996) 6.513 6.283 ( 3.613 0.162 4.302) 5.620 6.620 ( 0.031 -0.332 1.855) 1.885 6.704 ( -2.085 -1.549 0.826) 2.726 6.745 ( -2.382 -3.228 2.774) 4.877 6.845 ( 1.519 0.631 -1.040) 1.946 6.973 ( -1.894 -4.347 1.459) 4.961 7.258 ( -1.427 0.722 -0.595) 1.706 7.328 ( 0.552 4.598 4.488) 6.449 7.353 ( 1.543 -0.478 -3.753) 4.086 7.414 ( 2.253 1.200 10.282) 10.594 7.696 ( -2.279 2.654 -4.528) 5.722 7.795 ( -7.671 1.134 3.497) 8.506 8.709 ( 0.304 1.516 -4.250) 4.522 8.833 ( 0.116 4.652 -4.838) 6.713 9.060 ( 1.597 7.353 -15.500) 17.230 13.434 ( -0.467 -2.240 2.733) 3.564 13.471 ( 1.432 -1.415 3.142) 3.731 15.112 ( -1.709 -0.591 -0.659) 1.925 15.180 ( -0.565 -2.996 -2.075) 3.688 15.205 ( 0.405 0.218 1.948) 2.002 15.382 ( -0.276 1.618 6.398) 6.605 15.588 ( -2.442 -1.262 2.791) 3.918 16.166 ( 7.978 9.315 -20.524) 23.909 ======================= Grid point 192 (66/125) ======================= q-point: ( 0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 12.462 -6.092 8.055) 16.040 1.180 ( 13.629 -2.695 5.291) 14.867 1.411 ( 0.923 2.284 0.680) 2.556 1.561 ( -1.805 -4.684 2.587) 5.647 1.675 ( -9.982 -1.544 3.331) 10.636 1.819 ( -15.203 -1.403 1.118) 15.309 2.016 ( -0.913 -1.093 -4.491) 4.711 2.116 ( -1.046 7.232 7.119) 10.201 2.206 ( -1.340 0.949 -5.661) 5.894 2.317 ( -2.731 -4.736 -4.640) 7.170 2.724 ( 4.225 2.474 10.828) 11.884 2.767 ( 8.295 -9.767 3.451) 13.270 2.816 ( 3.062 11.374 -9.065) 14.863 3.001 ( -1.119 9.722 -9.881) 13.907 3.351 ( -10.846 -8.073 6.916) 15.187 3.432 ( 0.416 3.348 -2.152) 4.002 3.618 ( 11.587 -2.466 2.212) 12.052 4.024 ( -1.037 2.192 -3.735) 4.453 4.048 ( -0.290 -2.322 -1.405) 2.730 4.134 ( -0.548 0.081 1.275) 1.390 5.363 ( 1.398 -4.665 11.420) 12.415 5.474 ( 2.197 -4.540 4.582) 6.814 5.584 ( -1.350 -2.838 1.675) 3.561 5.617 ( -2.203 -1.310 4.444) 5.131 5.655 ( 0.081 -0.820 -0.618) 1.030 5.763 ( -2.342 -1.828 1.058) 3.153 5.817 ( 0.545 -4.119 2.598) 4.900 5.844 ( -2.401 -1.986 -1.909) 3.655 5.953 ( 0.065 -0.846 -0.470) 0.970 6.189 ( 1.085 -0.731 2.681) 2.984 6.252 ( 0.929 2.936 3.172) 4.421 6.439 ( 4.701 -8.450 -2.009) 9.876 6.634 ( 0.722 -0.941 0.862) 1.466 6.728 ( -2.219 -2.378 -0.708) 3.329 6.762 ( -3.371 -0.312 0.630) 3.443 6.853 ( 0.210 -0.547 -0.282) 0.650 7.094 ( 3.347 -5.513 -1.496) 6.621 7.214 ( -0.799 6.411 4.160) 7.684 7.242 ( 1.463 0.550 -0.173) 1.572 7.383 ( 2.074 -1.850 -1.696) 3.256 7.415 ( 2.479 0.457 2.924) 3.860 7.624 ( -1.501 3.833 -4.735) 6.274 7.723 ( -8.502 0.049 2.434) 8.844 8.670 ( 1.419 4.928 -7.224) 8.859 8.716 ( -1.532 5.932 -3.289) 6.954 8.898 ( -1.126 9.920 -10.899) 14.781 13.483 ( -0.376 -3.292 2.873) 4.385 13.517 ( 1.324 -2.519 2.962) 4.108 15.108 ( -1.479 -0.515 0.388) 1.614 15.201 ( 0.224 -0.025 0.958) 0.984 15.230 ( -0.188 -0.852 -1.076) 1.385 15.376 ( -0.045 -2.341 4.582) 5.145 15.596 ( -0.904 -0.648 0.742) 1.337 15.986 ( 4.407 14.402 -16.175) 22.101 ======================= Grid point 193 (67/125) ======================= q-point: ( 0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 7.556 -0.236 2.197) 7.872 1.327 ( 8.395 -1.558 1.143) 8.614 1.419 ( 6.107 -6.447 0.821) 8.918 1.630 ( -6.987 -0.068 1.449) 7.136 1.662 ( -6.079 -7.123 0.110) 9.365 1.765 ( -11.858 -5.318 1.959) 13.143 1.955 ( -1.985 9.466 3.083) 10.151 2.057 ( 3.574 -3.165 -6.504) 8.068 2.194 ( -2.309 -1.838 -3.245) 4.386 2.367 ( -3.656 -0.280 -11.201) 11.786 2.576 ( 2.931 10.865 -1.045) 11.302 2.657 ( -2.327 4.437 -4.703) 6.872 2.855 ( 1.512 7.033 -16.567) 18.061 3.076 ( 11.428 -10.516 6.511) 16.840 3.356 ( -0.447 5.124 -0.559) 5.173 3.464 ( -5.469 -10.403 9.470) 15.094 3.640 ( 6.192 7.418 -5.602) 11.169 4.016 ( -3.351 -4.689 7.613) 9.549 4.058 ( 1.122 2.592 8.391) 8.854 4.124 ( -2.068 -0.625 4.651) 5.128 5.444 ( 0.582 -3.975 10.861) 11.580 5.510 ( -1.410 1.296 3.975) 4.413 5.591 ( 2.194 -2.907 0.368) 3.660 5.652 ( -0.919 -1.215 -0.516) 1.609 5.717 ( -2.865 -3.598 2.208) 5.102 5.784 ( 1.267 1.085 0.197) 1.680 5.898 ( -0.617 -5.300 2.797) 6.024 5.923 ( 2.066 -1.061 3.279) 4.019 5.994 ( -1.408 -10.545 4.037) 11.379 6.184 ( 0.374 2.445 5.099) 5.667 6.217 ( 0.041 -0.158 3.051) 3.055 6.594 ( 3.871 -4.771 -1.022) 6.228 6.664 ( 1.112 -1.435 0.192) 1.825 6.726 ( -1.757 1.560 -2.164) 3.195 6.755 ( -2.688 -1.626 -0.527) 3.185 6.853 ( -0.469 0.161 0.624) 0.797 6.999 ( -0.613 9.921 3.515) 10.543 7.187 ( 1.245 1.572 5.552) 5.903 7.289 ( 3.171 -2.285 -3.670) 5.362 7.378 ( 0.730 4.040 -6.006) 7.275 7.465 ( 1.620 -0.446 -4.771) 5.058 7.560 ( 2.334 1.792 -4.536) 5.407 7.755 ( -7.152 -11.712 0.185) 13.724 8.495 ( -0.598 12.085 -7.475) 14.222 8.666 ( -1.172 2.195 -4.850) 5.451 8.734 ( -0.670 5.442 -5.906) 8.059 13.538 ( -0.239 -2.761 3.092) 4.152 13.569 ( 0.850 -2.187 2.799) 3.653 15.116 ( -0.615 -1.176 1.274) 1.840 15.210 ( -0.172 1.802 1.346) 2.256 15.213 ( -0.159 -1.345 -0.328) 1.393 15.458 ( 0.207 -5.638 0.729) 5.689 15.592 ( 1.080 1.492 -1.126) 2.158 15.738 ( 0.483 14.102 -10.861) 17.806 ======================= Grid point 194 (68/125) ======================= q-point: ( 0.67 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( -0.777 5.649 1.220) 5.831 1.409 ( 9.413 -1.715 0.800) 9.601 1.543 ( -9.610 0.693 -0.735) 9.663 1.608 ( 1.919 -1.765 -2.666) 3.729 1.720 ( 3.850 4.503 -1.311) 6.068 1.810 ( -5.356 -5.552 -0.136) 7.716 1.906 ( -2.147 -13.463 3.197) 14.003 2.159 ( 4.667 -3.956 -4.861) 7.815 2.238 ( -4.295 -0.357 -9.894) 10.792 2.275 ( -0.057 0.561 -7.986) 8.006 2.448 ( 3.007 7.591 2.783) 8.626 2.628 ( 0.020 -2.284 -12.335) 12.545 2.750 ( -3.399 3.884 -16.672) 17.453 3.207 ( 1.239 6.638 2.782) 7.304 3.280 ( 2.674 -1.906 0.872) 3.397 3.426 ( 2.463 13.933 -9.418) 16.996 3.703 ( -3.202 -14.345 13.735) 20.117 4.000 ( 1.060 3.518 11.860) 12.416 4.105 ( -0.191 -1.695 8.871) 9.034 4.112 ( -1.132 -1.675 9.285) 9.503 5.470 ( -0.621 1.318 4.419) 4.653 5.529 ( 1.013 -4.271 9.571) 10.530 5.642 ( -0.209 -1.398 -1.383) 1.978 5.679 ( -0.423 -1.785 1.534) 2.391 5.748 ( -0.099 0.175 1.767) 1.778 5.768 ( -0.005 -0.926 0.976) 1.346 5.857 ( -0.580 5.114 5.309) 7.394 5.974 ( 0.894 -1.909 6.061) 6.417 6.152 ( -0.287 0.751 3.437) 3.530 6.201 ( 0.470 -2.648 1.565) 3.111 6.299 ( 0.088 -14.762 6.415) 16.096 6.562 ( -0.058 10.880 1.703) 11.012 6.669 ( -0.816 5.358 -4.314) 6.927 6.693 ( -0.226 -2.280 -0.020) 2.291 6.765 ( 0.467 -0.439 0.878) 1.087 6.836 ( 3.085 1.720 2.184) 4.153 6.935 ( -3.609 -5.577 0.498) 6.661 7.166 ( 1.150 1.028 4.769) 5.012 7.279 ( -0.198 6.917 -5.406) 8.781 7.333 ( 3.410 -0.314 -3.759) 5.084 7.403 ( -3.793 3.469 -5.353) 7.421 7.576 ( 2.268 -0.044 -4.682) 5.202 8.004 ( -1.333 -16.218 -6.507) 17.525 8.268 ( -0.426 12.139 -6.774) 13.907 8.596 ( -1.691 1.828 -3.867) 4.599 8.728 ( 1.315 -2.015 -5.085) 5.625 13.569 ( -0.227 -0.718 3.213) 3.300 13.598 ( 0.311 -0.501 3.071) 3.127 15.141 ( -0.123 -1.761 1.847) 2.555 15.176 ( 0.032 1.400 1.679) 2.186 15.261 ( -0.428 -4.113 -2.427) 4.795 15.480 ( 1.755 11.648 -7.238) 13.825 15.558 ( -0.294 -4.009 -0.802) 4.099 15.589 ( -0.786 0.971 -1.006) 1.604 ======================= Grid point 195 (69/125) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -0.000 6.491 2.415) 6.926 1.340 ( -0.000 16.787 -1.297) 16.837 1.439 ( -0.000 3.086 -3.897) 4.971 1.607 ( 0.000 -6.880 0.491) 6.898 1.837 ( 0.000 -9.299 -2.746) 9.696 1.881 ( 0.000 -1.874 5.734) 6.032 2.113 ( 0.000 -6.176 5.541) 8.298 2.115 ( -0.000 6.177 -10.000) 11.754 2.313 ( 0.000 -1.835 -2.705) 3.269 2.344 ( 0.000 -8.315 -4.527) 9.468 2.410 ( 0.000 -8.707 -11.385) 14.333 2.643 ( -0.000 3.963 -13.833) 14.389 2.748 ( 0.000 -6.967 -11.567) 13.503 3.013 ( -0.000 12.555 8.682) 15.264 3.164 ( -0.000 14.480 -9.776) 17.471 3.346 ( 0.000 -2.595 -1.336) 2.919 3.927 ( 0.000 -10.530 11.184) 15.361 3.959 ( -0.000 1.685 9.941) 10.083 4.038 ( -0.000 5.498 10.842) 12.156 4.170 ( 0.000 -1.465 6.970) 7.122 5.447 ( -0.000 0.966 5.682) 5.764 5.608 ( 0.000 -3.174 8.991) 9.535 5.662 ( 0.000 -1.432 -1.344) 1.964 5.673 ( -0.000 1.723 2.909) 3.381 5.683 ( -0.000 7.827 3.010) 8.385 5.765 ( 0.000 -1.538 0.659) 1.674 5.856 ( 0.000 -3.121 4.753) 5.686 5.972 ( -0.000 2.305 7.564) 7.907 6.149 ( 0.000 -0.109 2.271) 2.274 6.218 ( 0.000 -0.494 2.532) 2.580 6.299 ( -0.000 15.765 3.828) 16.223 6.562 ( -0.000 6.007 -6.025) 8.508 6.563 ( 0.000 -11.211 1.925) 11.375 6.729 ( 0.000 -2.041 0.297) 2.062 6.786 ( 0.000 -3.382 2.878) 4.441 6.844 ( 0.000 -0.633 0.949) 1.140 7.046 ( 0.000 -6.510 1.324) 6.644 7.128 ( -0.000 9.210 -7.207) 11.695 7.172 ( 0.000 -0.678 2.984) 3.060 7.319 ( -0.000 2.873 -1.822) 3.402 7.364 ( 0.000 -0.678 -4.644) 4.693 7.585 ( 0.000 -0.532 -3.568) 3.607 8.071 ( -0.000 8.743 -5.283) 10.215 8.273 ( 0.000 -13.314 -9.740) 16.496 8.602 ( 0.000 -2.724 -2.637) 3.791 8.789 ( 0.000 -3.930 -4.987) 6.349 13.558 ( -0.000 1.765 3.269) 3.715 13.590 ( -0.000 1.436 3.390) 3.682 15.158 ( -0.000 0.047 0.759) 0.760 15.181 ( 0.000 -2.104 2.507) 3.273 15.310 ( -0.000 6.894 -4.101) 8.021 15.358 ( 0.000 -6.401 -4.410) 7.772 15.525 ( -0.000 3.773 -0.333) 3.788 15.659 ( 0.000 -4.688 -2.049) 5.117 ======================= Grid point 200 (70/125) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 13.682 -0.000 10.142) 17.031 1.142 ( 11.432 -0.000 15.764) 19.472 1.468 ( -0.677 0.000 2.412) 2.505 1.513 ( 4.439 -0.000 -0.172) 4.442 1.669 ( -16.774 0.000 4.469) 17.359 1.765 ( -11.621 0.000 7.842) 14.019 1.977 ( 9.773 -0.000 6.475) 11.723 2.065 ( -2.432 0.000 -10.718) 10.990 2.338 ( 12.264 -0.000 7.398) 14.323 2.374 ( -0.837 0.000 9.827) 9.862 2.397 ( -5.693 0.000 -0.386) 5.707 2.896 ( 0.893 -0.000 9.686) 9.727 3.036 ( 2.739 -0.000 -6.841) 7.369 3.152 ( -16.747 0.000 2.706) 16.964 3.314 ( -3.743 0.000 -2.948) 4.764 3.395 ( 1.794 -0.000 5.292) 5.588 3.535 ( 3.965 -0.000 1.436) 4.217 3.968 ( 1.292 -0.000 -11.229) 11.303 4.081 ( 4.046 -0.000 -10.584) 11.331 4.161 ( 4.683 -0.000 -12.464) 13.315 5.223 ( 3.383 -0.000 7.208) 7.962 5.347 ( -1.311 0.000 11.496) 11.570 5.518 ( 1.579 -0.000 7.461) 7.627 5.618 ( -0.234 0.000 -4.682) 4.688 5.698 ( -3.447 0.000 -3.950) 5.243 5.721 ( -3.167 0.000 3.750) 4.909 5.785 ( 0.165 -0.000 -0.924) 0.939 5.814 ( -1.105 0.000 -4.899) 5.022 5.930 ( -0.460 0.000 -2.645) 2.684 6.115 ( 3.537 -0.000 4.628) 5.825 6.194 ( -0.661 0.000 0.792) 1.032 6.321 ( 4.492 -0.000 4.547) 6.392 6.620 ( 0.673 -0.000 2.441) 2.532 6.676 ( -2.010 0.000 -0.051) 2.011 6.699 ( -1.492 0.000 3.580) 3.878 6.864 ( 1.197 -0.000 -1.586) 1.987 6.906 ( -4.290 0.000 2.814) 5.131 7.247 ( -2.318 0.000 -2.159) 3.168 7.357 ( 1.253 -0.000 -5.287) 5.434 7.374 ( 0.558 -0.000 4.464) 4.499 7.445 ( 2.653 -0.000 17.582) 17.781 7.705 ( -2.321 0.000 -5.031) 5.540 7.763 ( -6.083 0.000 1.479) 6.260 8.724 ( 0.258 -0.000 -2.733) 2.745 8.879 ( 0.384 -0.000 -5.690) 5.703 9.148 ( 1.962 -0.000 -21.037) 21.128 13.410 ( -0.408 0.000 2.775) 2.804 13.465 ( 0.856 -0.000 3.467) 3.571 15.101 ( -0.087 0.000 -1.014) 1.018 15.140 ( -1.517 0.000 -1.337) 2.022 15.211 ( 0.418 -0.000 2.531) 2.565 15.400 ( -0.215 0.000 5.715) 5.719 15.557 ( -2.012 0.000 4.666) 5.081 16.303 ( 6.244 -0.000 -23.956) 24.757 ======================= Grid point 201 (71/125) ======================= q-point: ( 0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 13.828 -2.207 9.779) 17.079 1.236 ( 13.174 -1.912 11.122) 17.347 1.451 ( -0.685 1.508 2.127) 2.696 1.527 ( 2.025 0.622 0.616) 2.206 1.567 ( -14.622 -1.383 4.969) 15.505 1.699 ( -13.506 -0.878 6.218) 14.895 2.002 ( 0.206 0.689 -5.547) 5.594 2.131 ( 2.062 -5.667 -5.693) 8.293 2.266 ( 1.427 6.343 2.881) 7.111 2.312 ( -3.152 4.826 3.662) 6.829 2.594 ( 12.743 -12.521 9.927) 20.438 2.851 ( 0.719 5.032 8.916) 10.263 3.005 ( 2.402 4.667 -6.814) 8.602 3.097 ( -12.675 -2.546 0.465) 12.937 3.162 ( -7.354 6.317 1.306) 9.782 3.483 ( 1.261 0.242 -0.774) 1.499 3.585 ( 6.138 -6.339 5.054) 10.168 3.998 ( 0.952 -2.391 -7.830) 8.242 4.104 ( 2.549 2.242 -10.201) 10.751 4.141 ( 0.450 2.687 -7.983) 8.435 5.297 ( 3.501 -4.693 8.978) 10.718 5.370 ( -1.683 -4.355 8.877) 10.030 5.535 ( 1.585 -1.242 6.416) 6.725 5.640 ( -1.150 -0.171 -3.647) 3.828 5.655 ( -1.757 2.599 2.232) 3.850 5.704 ( -2.871 -2.200 0.576) 3.663 5.762 ( -0.352 -0.053 0.039) 0.358 5.817 ( -1.176 -0.614 -4.557) 4.746 5.937 ( 0.003 -0.954 -2.067) 2.276 6.173 ( 0.646 -1.400 1.977) 2.507 6.286 ( 3.118 -8.946 0.334) 9.480 6.327 ( 2.605 1.300 5.762) 6.456 6.628 ( 1.243 -0.334 1.679) 2.115 6.678 ( -1.868 -1.391 -0.113) 2.331 6.715 ( -2.203 -2.093 1.889) 3.578 6.856 ( 0.211 0.380 -1.102) 1.185 6.951 ( -1.303 -7.234 0.919) 7.407 7.241 ( -1.018 -0.713 -2.614) 2.894 7.330 ( 0.001 4.979 3.926) 6.341 7.375 ( 1.415 -0.886 -4.648) 4.939 7.447 ( 2.578 1.429 18.823) 19.052 7.668 ( -2.357 2.545 -4.622) 5.779 7.710 ( -4.629 1.856 -1.602) 5.238 8.714 ( 0.373 1.234 -2.830) 3.110 8.833 ( -0.078 5.254 -6.220) 8.142 9.075 ( 0.699 8.593 -18.976) 20.842 13.428 ( -0.317 -2.235 2.755) 3.562 13.485 ( 0.685 -1.653 3.471) 3.905 15.094 ( -0.890 0.095 -0.294) 0.942 15.176 ( -0.149 -3.731 -2.177) 4.323 15.209 ( 0.245 0.375 2.272) 2.316 15.379 ( -0.176 1.603 6.173) 6.380 15.565 ( -1.154 -1.637 3.381) 3.930 16.244 ( 3.914 9.896 -22.089) 24.519 ======================= Grid point 202 (72/125) ======================= q-point: ( 0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 11.684 -5.130 6.548) 14.342 1.365 ( 13.471 -1.521 2.213) 13.736 1.416 ( 0.951 1.415 3.646) 4.025 1.504 ( -9.516 -2.629 2.446) 10.171 1.573 ( -3.656 -4.956 4.358) 7.545 1.608 ( -13.806 0.562 2.419) 14.027 2.010 ( -0.138 -2.125 -7.864) 8.147 2.118 ( 0.506 8.297 7.682) 11.319 2.203 ( 0.332 2.496 -3.178) 4.055 2.277 ( -2.423 -4.870 -10.444) 11.775 2.743 ( 0.562 7.013 8.223) 10.822 2.846 ( 1.237 13.864 -7.692) 15.904 2.921 ( 9.954 -9.458 -2.100) 13.890 3.003 ( 4.110 1.083 -2.418) 4.890 3.169 ( -15.085 -11.072 11.514) 21.971 3.435 ( 0.132 3.984 -2.146) 4.528 3.776 ( 9.797 -6.562 5.783) 13.133 3.973 ( -5.322 8.359 -9.470) 13.707 4.056 ( 0.777 -3.007 -1.597) 3.492 4.123 ( -0.795 1.341 2.738) 3.151 5.379 ( 0.783 -3.371 13.159) 13.606 5.494 ( 0.637 -5.891 1.562) 6.128 5.573 ( 0.468 0.158 3.034) 3.074 5.593 ( -1.879 -2.969 3.036) 4.644 5.656 ( 0.002 -1.060 0.164) 1.073 5.743 ( -0.623 -4.162 1.347) 4.419 5.816 ( -0.993 -0.255 -2.441) 2.647 5.823 ( -0.155 -6.096 1.723) 6.336 5.956 ( 0.289 -0.597 -0.423) 0.786 6.196 ( 0.104 -1.150 3.075) 3.285 6.263 ( 0.616 4.614 5.839) 7.468 6.493 ( 2.774 -8.892 -1.209) 9.393 6.652 ( 2.236 -1.093 0.779) 2.608 6.693 ( -3.396 -1.996 0.287) 3.949 6.724 ( -1.578 -0.492 -0.786) 1.830 6.852 ( -0.193 0.291 -0.954) 1.015 7.132 ( 2.063 -8.691 -1.998) 9.153 7.199 ( -1.096 8.476 3.867) 9.380 7.260 ( 0.919 -1.539 -2.130) 2.784 7.405 ( 0.903 -1.036 -6.383) 6.529 7.459 ( 4.169 -2.395 14.369) 15.152 7.580 ( -5.443 3.495 -2.370) 6.889 7.648 ( -1.786 2.617 -4.341) 5.374 8.686 ( 0.995 5.070 -5.925) 7.862 8.699 ( -1.095 6.149 -4.744) 7.843 8.888 ( -0.399 11.066 -12.459) 16.669 13.479 ( -0.157 -3.341 2.803) 4.364 13.529 ( 0.458 -2.591 3.089) 4.058 15.095 ( -0.477 -0.686 0.626) 1.044 15.203 ( 0.118 0.147 1.272) 1.286 15.228 ( -0.098 -0.772 -1.115) 1.360 15.376 ( -0.022 -2.523 4.376) 5.052 15.588 ( -0.350 -1.253 1.318) 1.852 16.026 ( 1.550 15.494 -17.426) 23.370 ======================= Grid point 203 (73/125) ======================= q-point: ( 0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -0.000 4.492 1.241) 4.660 1.429 ( -0.000 0.279 2.494) 2.510 1.517 ( 0.000 -1.175 2.993) 3.216 1.520 ( 0.000 -5.928 -2.632) 6.486 1.583 ( 0.000 -9.831 -1.774) 9.990 1.690 ( 0.000 -9.160 5.767) 10.824 1.940 ( -0.000 10.856 2.677) 11.182 2.097 ( 0.000 -6.327 -8.229) 10.380 2.170 ( -0.000 0.784 -0.677) 1.036 2.336 ( 0.000 -0.494 -14.238) 14.246 2.609 ( -0.000 8.069 6.729) 10.507 2.631 ( -0.000 7.647 -10.133) 12.695 2.865 ( -0.000 6.989 -17.613) 18.949 3.180 ( 0.000 -6.283 3.274) 7.085 3.352 ( -0.000 5.390 -0.609) 5.425 3.386 ( 0.000 -17.770 16.247) 24.078 3.708 ( -0.000 14.461 -11.423) 18.428 3.982 ( 0.000 -8.251 10.349) 13.236 4.072 ( -0.000 3.497 9.464) 10.090 4.104 ( 0.000 -1.567 4.071) 4.363 5.450 ( 0.000 -4.328 11.624) 12.404 5.496 ( -0.000 1.712 3.564) 3.954 5.624 ( 0.000 -1.441 -2.130) 2.572 5.633 ( 0.000 -2.789 0.161) 2.794 5.692 ( 0.000 -3.147 3.476) 4.689 5.794 ( -0.000 1.750 -0.682) 1.878 5.891 ( 0.000 -8.115 3.126) 8.697 5.941 ( -0.000 2.856 1.676) 3.312 5.982 ( 0.000 -13.218 5.256) 14.225 6.187 ( -0.000 3.368 5.214) 6.207 6.216 ( 0.000 -1.027 4.277) 4.398 6.630 ( 0.000 -4.970 -0.383) 4.984 6.666 ( -0.000 1.934 0.258) 1.951 6.720 ( -0.000 0.504 -3.689) 3.724 6.726 ( 0.000 -3.775 0.465) 3.804 6.850 ( 0.000 -0.932 -0.175) 0.948 6.995 ( -0.000 11.752 4.244) 12.495 7.196 ( -0.000 1.356 6.007) 6.158 7.313 ( 0.000 -2.666 -3.892) 4.718 7.383 ( -0.000 4.126 -6.117) 7.378 7.471 ( -0.000 4.334 -6.561) 7.864 7.596 ( -0.000 1.684 -5.063) 5.336 7.690 ( 0.000 -16.884 1.972) 16.999 8.490 ( -0.000 12.319 -7.069) 14.203 8.656 ( -0.000 3.741 -5.829) 6.926 8.732 ( -0.000 3.878 -5.699) 6.893 13.536 ( 0.000 -2.752 3.022) 4.087 13.575 ( 0.000 -2.118 2.833) 3.537 15.112 ( 0.000 -1.325 1.382) 1.915 15.208 ( -0.000 1.959 1.457) 2.441 15.212 ( 0.000 -1.360 -0.352) 1.404 15.459 ( 0.000 -5.742 0.697) 5.784 15.599 ( -0.000 0.070 -0.080) 0.107 15.742 ( -0.000 15.852 -12.184) 19.993 ======================= Grid point 211 (74/125) ======================= q-point: ( 0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 15.605 -0.000 9.417) 18.226 1.281 ( 7.982 -0.000 13.401) 15.598 1.431 ( -14.055 0.000 3.935) 14.596 1.473 ( -3.364 0.000 2.285) 4.067 1.557 ( 1.978 -0.000 3.269) 3.821 1.623 ( -8.342 0.000 8.067) 11.604 2.042 ( -0.922 0.000 -12.578) 12.612 2.060 ( 3.026 -0.000 -2.617) 4.001 2.343 ( -2.237 0.000 -2.114) 3.078 2.369 ( -0.127 0.000 10.612) 10.613 2.537 ( 15.223 -0.000 9.634) 18.016 2.903 ( 0.220 -0.000 11.123) 11.125 2.904 ( -16.022 0.000 7.861) 17.846 3.077 ( 0.915 -0.000 -4.873) 4.958 3.284 ( -1.099 0.000 -4.167) 4.310 3.410 ( 0.574 -0.000 4.631) 4.667 3.573 ( 1.607 -0.000 1.110) 1.954 3.980 ( 0.485 -0.000 -9.949) 9.960 4.118 ( 1.501 -0.000 -7.932) 8.073 4.202 ( 1.535 -0.000 -16.192) 16.265 5.263 ( 2.201 -0.000 4.644) 5.139 5.329 ( -1.248 0.000 14.276) 14.331 5.533 ( 0.554 -0.000 8.428) 8.446 5.621 ( 0.493 -0.000 -4.813) 4.838 5.660 ( -1.977 0.000 -4.318) 4.749 5.690 ( -1.319 0.000 3.993) 4.206 5.787 ( 0.059 -0.000 -0.857) 0.859 5.804 ( -0.380 0.000 -5.337) 5.351 5.926 ( -0.178 0.000 -2.781) 2.787 6.148 ( 1.340 -0.000 6.014) 6.161 6.188 ( -0.282 0.000 2.054) 2.074 6.369 ( 2.212 -0.000 6.155) 6.540 6.636 ( 1.427 -0.000 2.212) 2.633 6.658 ( -0.739 0.000 -1.133) 1.353 6.682 ( -1.118 0.000 2.618) 2.847 6.859 ( -2.227 0.000 2.954) 3.699 6.871 ( 0.053 -0.000 -1.835) 1.835 7.224 ( -1.029 0.000 -3.568) 3.713 7.369 ( 0.483 -0.000 -5.296) 5.318 7.379 ( 0.137 -0.000 4.086) 4.088 7.477 ( 1.756 -0.000 25.053) 25.114 7.683 ( -0.848 0.000 -5.450) 5.515 7.702 ( -2.740 0.000 -4.714) 5.453 8.728 ( 0.206 -0.000 -2.068) 2.078 8.882 ( 0.071 -0.000 -6.383) 6.383 9.165 ( 0.591 -0.000 -23.241) 23.249 13.406 ( -0.164 0.000 2.801) 2.806 13.472 ( 0.245 -0.000 3.796) 3.804 15.100 ( -0.032 0.000 -1.028) 1.028 15.128 ( -0.455 0.000 -1.283) 1.362 15.215 ( 0.165 -0.000 2.747) 2.751 15.397 ( -0.087 0.000 5.558) 5.559 15.540 ( -0.632 0.000 4.839) 4.880 16.356 ( 1.980 -0.000 -24.448) 24.528 ======================= Grid point 212 (75/125) ======================= q-point: ( 0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 185 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.000 -0.902 12.624) 12.657 1.365 ( 0.000 -2.007 -0.486) 2.065 1.392 ( 0.000 -5.893 11.216) 12.669 1.454 ( -0.000 1.178 1.553) 1.949 1.536 ( -0.000 2.902 7.097) 7.667 1.587 ( -0.000 0.520 2.825) 2.872 2.001 ( -0.000 1.298 -8.434) 8.533 2.147 ( 0.000 -5.209 -7.363) 9.019 2.274 ( -0.000 4.604 -2.426) 5.204 2.290 ( -0.000 7.131 8.511) 11.103 2.742 ( 0.000 -13.067 8.538) 15.609 2.856 ( -0.000 4.756 9.043) 10.218 2.913 ( 0.000 -6.833 9.409) 11.628 3.069 ( -0.000 1.436 -4.310) 4.543 3.104 ( -0.000 13.195 -5.255) 14.203 3.492 ( -0.000 0.667 -0.740) 0.996 3.627 ( 0.000 -8.742 5.843) 10.515 4.005 ( 0.000 -2.411 -7.400) 7.783 4.130 ( 0.000 -0.355 -3.939) 3.955 4.134 ( -0.000 7.684 -15.436) 17.243 5.338 ( 0.000 -1.607 15.032) 15.117 5.342 ( 0.000 -7.556 2.790) 8.054 5.546 ( 0.000 -1.356 7.026) 7.156 5.627 ( -0.000 2.620 0.218) 2.629 5.651 ( -0.000 0.092 -3.060) 3.061 5.681 ( 0.000 -2.360 1.546) 2.821 5.761 ( -0.000 0.155 0.162) 0.224 5.808 ( 0.000 -0.491 -4.896) 4.921 5.937 ( 0.000 -1.198 -2.090) 2.410 6.176 ( 0.000 -1.025 2.526) 2.726 6.311 ( 0.000 -11.564 1.427) 11.652 6.344 ( -0.000 3.444 6.462) 7.323 6.649 ( 0.000 -0.841 2.039) 2.206 6.654 ( 0.000 -0.346 -0.410) 0.536 6.698 ( 0.000 -1.522 0.845) 1.740 6.856 ( -0.000 0.089 -1.156) 1.160 6.942 ( 0.000 -8.573 0.701) 8.602 7.234 ( 0.000 -1.400 -3.516) 3.784 7.330 ( -0.000 5.141 3.736) 6.355 7.384 ( 0.000 -1.179 -5.516) 5.640 7.469 ( -0.000 1.302 25.775) 25.808 7.642 ( -0.000 3.746 -5.938) 7.021 7.684 ( -0.000 1.397 -5.668) 5.838 8.717 ( -0.000 1.181 -2.488) 2.754 8.832 ( -0.000 5.455 -6.586) 8.552 9.079 ( -0.000 8.986 -20.054) 21.976 13.426 ( 0.000 -2.232 2.761) 3.550 13.489 ( 0.000 -1.756 3.604) 4.009 15.089 ( -0.000 0.267 -0.210) 0.339 15.175 ( 0.000 -3.923 -2.217) 4.506 15.211 ( -0.000 0.450 2.407) 2.449 15.377 ( -0.000 1.597 6.084) 6.290 15.557 ( 0.000 -1.726 3.496) 3.899 16.269 ( -0.000 10.012 -22.427) 24.560 ======================= Grid point 255 (76/125) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 0.000 0.000 11.403) 11.403 1.244 ( 0.000 0.000 16.952) 16.952 1.286 ( 0.000 0.000 -6.191) 6.191 1.727 ( 0.000 0.000 -4.804) 4.804 1.751 ( 0.000 0.000 6.903) 6.903 2.014 ( 0.000 0.000 -5.948) 5.948 2.140 ( 0.000 0.000 8.305) 8.305 2.241 ( 0.000 0.000 21.542) 21.542 2.339 ( 0.000 0.000 2.148) 2.148 2.477 ( 0.000 0.000 -3.206) 3.206 2.736 ( 0.000 0.000 -6.520) 6.520 2.812 ( 0.000 0.000 9.462) 9.462 3.024 ( 0.000 0.000 15.464) 15.464 3.252 ( 0.000 0.000 -7.745) 7.745 3.336 ( 0.000 0.000 -1.488) 1.488 3.536 ( 0.000 0.000 3.593) 3.593 3.575 ( 0.000 0.000 0.118) 0.118 3.588 ( 0.000 0.000 -13.334) 13.334 3.724 ( 0.000 0.000 -14.902) 14.902 3.737 ( 0.000 0.000 -7.976) 7.976 5.317 ( 0.000 0.000 8.169) 8.169 5.545 ( 0.000 0.000 6.112) 6.112 5.557 ( 0.000 0.000 -4.467) 4.467 5.608 ( 0.000 0.000 7.005) 7.005 5.727 ( 0.000 0.000 -1.998) 1.998 5.761 ( 0.000 0.000 -2.093) 2.093 5.775 ( 0.000 0.000 -2.271) 2.271 5.865 ( 0.000 0.000 -5.644) 5.644 5.919 ( 0.000 0.000 8.875) 8.875 6.019 ( 0.000 0.000 1.399) 1.399 6.116 ( 0.000 0.000 -3.938) 3.938 6.228 ( 0.000 0.000 -1.743) 1.743 6.667 ( 0.000 0.000 2.316) 2.316 6.778 ( 0.000 0.000 -1.654) 1.654 6.817 ( 0.000 0.000 2.507) 2.507 6.840 ( 0.000 0.000 1.826) 1.826 7.046 ( 0.000 0.000 1.433) 1.433 7.145 ( 0.000 0.000 -6.264) 6.264 7.363 ( 0.000 0.000 1.958) 1.958 7.405 ( 0.000 0.000 0.687) 0.687 7.512 ( 0.000 0.000 6.124) 6.124 7.724 ( 0.000 0.000 -3.855) 3.855 8.066 ( 0.000 0.000 6.486) 6.486 8.505 ( 0.000 0.000 -12.411) 12.411 8.882 ( 0.000 0.000 2.045) 2.045 8.983 ( 0.000 0.000 -2.512) 2.512 13.464 ( 0.000 0.000 1.979) 1.979 13.470 ( 0.000 0.000 1.783) 1.783 15.099 ( 0.000 0.000 0.407) 0.407 15.167 ( 0.000 0.000 -2.749) 2.749 15.260 ( 0.000 0.000 4.593) 4.593 15.537 ( 0.000 0.000 6.640) 6.640 15.569 ( 0.000 0.000 -9.841) 9.841 15.787 ( 0.000 0.000 -5.260) 5.260 ======================= Grid point 256 (77/125) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 2.867 -2.137 9.952) 10.575 1.212 ( 1.534 3.491 17.337) 17.751 1.280 ( 2.427 1.228 -4.984) 5.678 1.721 ( -3.978 -1.578 -3.151) 5.314 1.810 ( 2.622 -4.132 4.346) 6.545 2.037 ( -1.720 4.579 6.907) 8.464 2.060 ( -0.390 -2.625 -2.298) 3.510 2.307 ( -6.157 0.938 1.503) 6.407 2.321 ( -1.283 -2.910 9.291) 9.820 2.468 ( 0.289 0.597 -3.222) 3.290 2.677 ( 3.449 6.308 -0.659) 7.219 2.781 ( -3.657 2.483 10.801) 11.671 2.912 ( -0.013 10.089 8.626) 13.274 3.116 ( 5.453 9.501 -7.716) 13.399 3.279 ( -1.304 17.681 -4.136) 18.205 3.337 ( 2.270 2.310 -6.822) 7.552 3.682 ( -4.605 -10.408 3.596) 11.936 3.755 ( 0.948 -12.908 -7.505) 14.961 3.808 ( 2.699 -7.000 -4.869) 8.944 3.922 ( 2.292 -11.794 -6.170) 13.506 5.380 ( 0.101 -6.518 8.608) 10.798 5.551 ( 0.048 -2.470 4.976) 5.556 5.601 ( 0.201 0.704 6.249) 6.292 5.615 ( -0.586 -3.210 -2.415) 4.060 5.715 ( -0.471 1.000 -1.904) 2.202 5.781 ( -0.078 -2.618 -1.981) 3.284 5.812 ( -0.611 -4.138 -2.702) 4.980 5.874 ( -0.531 -1.377 -4.826) 5.047 5.940 ( -0.261 -2.474 9.068) 9.403 6.040 ( 1.951 -1.877 0.633) 2.780 6.132 ( 1.118 -1.404 -3.981) 4.366 6.240 ( 1.276 -0.874 -1.350) 2.053 6.664 ( -0.170 0.267 2.075) 2.099 6.776 ( 0.301 0.404 -1.927) 1.992 6.804 ( -1.376 0.290 2.680) 3.027 6.849 ( -1.576 -1.210 0.970) 2.211 7.046 ( 0.179 -0.163 1.573) 1.592 7.166 ( 1.038 -1.492 -6.143) 6.407 7.343 ( -0.783 1.935 1.808) 2.762 7.375 ( 0.042 3.204 1.019) 3.363 7.481 ( 0.330 3.308 5.911) 6.782 7.687 ( -1.594 3.296 -3.883) 5.337 8.041 ( -0.212 2.581 6.564) 7.057 8.479 ( 1.395 3.368 -12.369) 12.895 8.845 ( -1.276 3.490 1.679) 4.078 8.947 ( -2.089 3.196 -2.951) 4.826 13.480 ( 0.690 -1.640 2.177) 2.812 13.493 ( 0.055 -2.265 1.753) 2.865 15.125 ( -0.275 -2.531 -0.370) 2.573 15.166 ( -0.671 -0.371 -2.178) 2.309 15.250 ( 0.458 1.155 4.220) 4.399 15.524 ( -0.467 1.274 6.060) 6.210 15.545 ( 1.436 2.927 -8.589) 9.187 15.769 ( 0.180 2.074 -5.412) 5.799 ======================= Grid point 257 (78/125) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 4.848 -3.343 6.835) 9.022 1.172 ( 3.051 1.649 15.563) 15.944 1.289 ( 3.894 -0.243 -3.222) 5.060 1.727 ( -2.888 -1.355 -5.046) 5.970 1.877 ( -3.160 0.765 6.549) 7.312 1.973 ( 2.151 -2.525 4.710) 5.761 2.099 ( -5.322 0.681 -2.026) 5.736 2.213 ( -7.553 3.251 -2.856) 8.705 2.302 ( -0.107 2.318 -2.596) 3.482 2.421 ( -3.341 4.088 -3.951) 6.594 2.537 ( -4.979 8.962 0.552) 10.267 2.702 ( -0.200 6.360 -1.775) 6.606 2.834 ( 4.599 -3.461 13.391) 14.576 2.923 ( -0.348 18.831 -4.683) 19.407 3.062 ( 14.315 5.478 -5.122) 16.161 3.327 ( 1.831 0.513 -5.650) 5.961 3.828 ( -7.037 -9.918 4.445) 12.947 3.975 ( 1.869 -9.860 -0.090) 10.036 3.990 ( 1.680 -10.452 -1.757) 10.731 4.110 ( 1.681 -7.259 -1.106) 7.533 5.512 ( -0.934 -6.877 8.092) 10.660 5.586 ( 0.601 0.667 6.043) 6.110 5.633 ( -0.332 -5.637 2.423) 6.145 5.647 ( -0.796 -1.461 -0.187) 1.674 5.693 ( 0.259 0.774 -0.984) 1.278 5.807 ( -0.290 -0.395 -0.785) 0.925 5.906 ( -1.882 -6.328 -1.381) 6.745 5.928 ( -1.660 -5.124 0.500) 5.410 6.001 ( -0.114 -4.338 8.427) 9.478 6.119 ( 3.146 -4.405 -1.729) 5.682 6.180 ( 1.678 -2.845 -4.533) 5.609 6.281 ( 3.788 -2.376 -0.919) 4.565 6.656 ( -0.571 0.322 1.466) 1.606 6.764 ( -0.540 0.899 -2.287) 2.516 6.803 ( -0.908 -1.092 1.653) 2.180 6.861 ( -1.025 -1.223 -0.201) 1.608 7.053 ( 0.604 -0.060 1.789) 1.889 7.191 ( 1.123 0.243 -5.491) 5.610 7.283 ( -1.000 4.000 1.990) 4.578 7.306 ( -0.635 3.176 0.629) 3.299 7.417 ( 1.297 3.861 4.576) 6.126 7.598 ( -2.580 4.558 -4.067) 6.632 7.978 ( -0.898 3.626 6.060) 7.119 8.403 ( 2.357 6.586 -12.259) 14.115 8.750 ( -2.193 5.449 0.802) 5.929 8.850 ( -3.803 5.120 -3.818) 7.433 13.529 ( 1.133 -2.932 2.438) 3.978 13.545 ( -0.056 -3.386 1.897) 3.881 15.151 ( -1.154 -0.725 -0.290) 1.394 15.190 ( -0.192 -2.258 -2.007) 3.027 15.230 ( 0.752 1.353 2.926) 3.310 15.479 ( 2.160 4.735 -6.857) 8.609 15.504 ( 0.115 1.342 4.804) 4.990 15.719 ( -0.833 3.017 -4.842) 5.766 ======================= Grid point 258 (79/125) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 5.764 -3.611 4.120) 7.952 1.209 ( 2.685 -3.332 7.186) 8.364 1.349 ( 4.966 -3.565 0.339) 6.122 1.718 ( -1.175 1.570 -2.686) 3.326 1.797 ( -4.615 2.551 -2.463) 5.820 1.932 ( -2.995 10.607 -2.878) 11.391 2.104 ( -0.910 -7.976 4.606) 9.255 2.142 ( -8.799 -0.335 0.384) 8.814 2.214 ( 0.209 8.167 -1.718) 8.349 2.290 ( -7.508 3.945 -5.220) 9.959 2.377 ( -3.973 8.181 -5.420) 10.587 2.616 ( 0.998 10.217 -5.635) 11.711 2.655 ( -0.089 0.688 -3.625) 3.690 2.897 ( 11.142 4.462 -3.143) 12.407 3.140 ( 10.637 -4.077 4.689) 12.318 3.338 ( 1.353 -0.305 -2.655) 2.995 3.951 ( -6.381 -8.846 7.141) 13.037 4.132 ( 0.391 -6.429 3.019) 7.113 4.157 ( 0.836 -6.488 2.102) 6.871 4.198 ( 0.902 -2.109 2.444) 3.352 5.554 ( 0.051 0.265 3.048) 3.059 5.608 ( -2.538 -0.902 2.619) 3.757 5.664 ( -0.453 -2.825 3.585) 4.587 5.684 ( -0.139 -2.208 1.860) 2.890 5.738 ( 0.303 -2.619 -0.071) 2.638 5.799 ( -0.001 1.071 0.028) 1.071 5.988 ( -0.334 -2.900 4.981) 5.774 6.055 ( -1.529 -7.198 5.720) 9.320 6.097 ( -0.626 -9.334 4.722) 10.479 6.195 ( 2.902 -2.535 0.612) 3.902 6.236 ( 0.532 -1.927 0.210) 2.010 6.397 ( 6.351 -6.075 -4.205) 9.743 6.646 ( -0.293 0.338 0.388) 0.592 6.734 ( -1.810 1.696 -2.459) 3.493 6.821 ( -2.128 -1.327 0.388) 2.538 6.881 ( -0.126 -1.330 -1.469) 1.986 7.021 ( 1.747 5.641 2.921) 6.588 7.165 ( 1.765 2.843 -2.770) 4.344 7.218 ( -0.833 1.617 1.316) 2.245 7.272 ( -0.723 0.591 -2.543) 2.709 7.376 ( 2.299 1.676 2.307) 3.663 7.505 ( -3.005 3.434 -4.245) 6.232 7.922 ( -1.731 0.867 3.116) 3.668 8.274 ( 2.201 9.430 -11.544) 15.068 8.641 ( -1.526 4.586 -0.396) 4.849 8.726 ( -4.632 5.157 -4.213) 8.112 13.591 ( 1.135 -2.910 2.591) 4.059 13.605 ( -0.206 -3.078 2.141) 3.755 15.157 ( -0.643 -0.797 0.809) 1.305 15.207 ( -0.082 -0.133 -0.251) 0.296 15.222 ( 0.164 0.252 -0.250) 0.390 15.392 ( 2.882 6.497 -7.131) 10.068 15.505 ( -0.161 -1.461 4.012) 4.272 15.658 ( -1.557 2.767 -3.294) 4.575 ======================= Grid point 259 (80/125) ======================= q-point: ( 0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 4.909 -2.940 2.463) 6.229 1.273 ( -1.239 -1.338 0.370) 1.861 1.498 ( 4.709 -9.330 2.470) 10.739 1.668 ( 2.205 3.635 -1.138) 4.401 1.722 ( -1.602 6.198 -5.994) 8.770 1.739 ( -5.920 4.521 -4.246) 8.574 2.075 ( -4.336 -0.261 -1.773) 4.692 2.131 ( 1.849 2.526 -7.068) 7.730 2.156 ( -7.704 1.034 -1.340) 7.888 2.182 ( 0.580 7.047 -4.453) 8.356 2.301 ( -4.953 -9.482 2.570) 11.002 2.450 ( 7.812 11.247 4.659) 14.465 2.741 ( -9.875 -10.025 -11.166) 17.964 2.845 ( 12.678 9.365 -9.755) 18.536 3.275 ( 5.001 -4.039 3.588) 7.361 3.338 ( -0.691 1.124 0.287) 1.350 4.064 ( -4.201 -7.544 9.196) 12.614 4.154 ( 1.615 4.041 7.772) 8.908 4.235 ( 0.673 -2.618 3.996) 4.825 4.247 ( -0.466 -1.875 1.941) 2.739 5.556 ( 1.434 -0.139 1.910) 2.392 5.579 ( -2.484 0.966 0.763) 2.773 5.726 ( -0.816 -3.084 2.865) 4.288 5.729 ( -0.480 -2.919 2.166) 3.667 5.756 ( 0.162 0.565 0.687) 0.905 5.772 ( 0.696 2.172 1.215) 2.584 6.038 ( 1.471 -2.318 5.773) 6.392 6.082 ( -1.934 0.735 5.608) 5.978 6.218 ( 0.055 -2.895 4.290) 5.175 6.249 ( 0.163 0.515 4.706) 4.737 6.374 ( 1.500 -13.208 2.689) 13.562 6.516 ( 3.438 -0.546 -4.019) 5.317 6.637 ( 2.588 1.213 0.204) 2.865 6.680 ( -3.431 2.204 -2.262) 4.663 6.813 ( -2.544 -0.169 1.643) 3.033 6.846 ( -0.189 4.947 3.541) 6.087 6.986 ( -0.437 -3.905 -3.399) 5.196 7.086 ( 2.004 6.878 -3.600) 8.018 7.230 ( 0.962 -1.722 0.367) 2.006 7.261 ( -0.767 0.668 -0.530) 1.147 7.389 ( 3.167 -0.886 -1.016) 3.442 7.438 ( -3.306 1.999 -3.321) 5.095 7.955 ( -1.395 -6.058 -3.215) 6.999 8.102 ( 1.176 10.280 -8.812) 13.591 8.587 ( 1.244 1.040 -2.107) 2.659 8.622 ( -3.824 2.894 -3.610) 6.003 13.638 ( 0.797 -1.304 2.568) 2.988 13.643 ( -0.427 -1.198 2.391) 2.708 15.174 ( 0.009 -1.293 1.061) 1.673 15.200 ( -0.329 1.275 0.204) 1.332 15.231 ( -0.437 -2.406 -1.837) 3.058 15.296 ( 1.675 5.437 -4.823) 7.459 15.546 ( 0.542 -2.683 0.886) 2.877 15.601 ( -1.257 2.645 -1.442) 3.264 ======================= Grid point 265 (81/125) ======================= q-point: ( 0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 5.624 -0.000 10.827) 12.201 1.262 ( 2.906 -0.000 12.945) 13.268 1.321 ( 4.941 -0.000 -2.418) 5.501 1.664 ( -5.886 0.000 2.841) 6.536 1.802 ( 4.165 -0.000 -0.475) 4.192 1.995 ( -2.930 0.000 -5.814) 6.511 2.109 ( -4.732 0.000 6.957) 8.414 2.234 ( -7.288 0.000 11.598) 13.698 2.299 ( 1.487 -0.000 8.255) 8.388 2.461 ( -2.271 0.000 -2.728) 3.550 2.773 ( -5.736 0.000 11.749) 13.075 2.788 ( 6.838 -0.000 -3.313) 7.598 3.033 ( 2.086 -0.000 12.615) 12.787 3.231 ( -3.174 0.000 -8.031) 8.636 3.384 ( 6.384 -0.000 -0.780) 6.432 3.519 ( -1.665 0.000 1.857) 2.494 3.528 ( -6.180 0.000 -1.029) 6.265 3.620 ( 3.959 -0.000 -10.727) 11.434 3.706 ( 1.684 -0.000 -11.521) 11.643 3.821 ( 7.195 -0.000 -10.057) 12.366 5.319 ( 0.415 -0.000 7.673) 7.685 5.545 ( 0.102 -0.000 6.673) 6.674 5.550 ( -0.884 0.000 -4.464) 4.550 5.613 ( 0.816 -0.000 6.071) 6.126 5.715 ( -1.922 0.000 -2.524) 3.172 5.761 ( 0.057 -0.000 -1.431) 1.433 5.773 ( -0.367 0.000 -2.047) 2.080 5.863 ( -0.197 0.000 -5.535) 5.539 5.911 ( -1.058 0.000 9.567) 9.625 6.042 ( 3.364 -0.000 1.395) 3.642 6.130 ( 2.020 -0.000 -3.447) 3.995 6.243 ( 2.351 -0.000 -1.699) 2.900 6.666 ( -0.160 0.000 2.294) 2.299 6.780 ( -1.491 0.000 -1.428) 2.065 6.794 ( -1.364 0.000 1.278) 1.869 6.820 ( -2.708 0.000 1.496) 3.094 7.045 ( -0.461 0.000 2.216) 2.263 7.161 ( 2.003 -0.000 -5.815) 6.150 7.353 ( -1.535 0.000 1.889) 2.434 7.407 ( 0.276 -0.000 0.331) 0.431 7.515 ( 0.476 -0.000 5.099) 5.121 7.703 ( -2.955 0.000 -4.002) 4.975 8.064 ( -0.379 0.000 8.361) 8.370 8.523 ( 2.607 -0.000 -11.809) 12.094 8.865 ( -2.417 0.000 1.208) 2.702 8.957 ( -3.786 0.000 -3.528) 5.175 13.470 ( 0.014 -0.000 1.970) 1.970 13.474 ( 1.402 -0.000 1.792) 2.275 15.098 ( -0.218 0.000 0.318) 0.385 15.156 ( -1.492 0.000 -2.352) 2.785 15.266 ( 0.887 -0.000 4.890) 4.970 15.534 ( -0.563 0.000 6.442) 6.467 15.580 ( 1.407 -0.000 -8.193) 8.313 15.796 ( 1.350 -0.000 -7.866) 7.981 ======================= Grid point 266 (82/125) ======================= q-point: ( 0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 7.390 -1.838 9.011) 11.798 1.253 ( 4.783 3.246 12.899) 14.135 1.338 ( 6.064 1.739 -1.182) 6.418 1.653 ( -5.684 -2.729 2.252) 6.695 1.844 ( 1.907 -1.711 0.568) 2.624 1.991 ( -4.952 0.492 -0.256) 4.983 2.042 ( -3.117 -0.202 2.126) 3.778 2.176 ( -12.288 -0.431 -0.391) 12.302 2.299 ( -1.484 2.507 4.444) 5.313 2.486 ( 2.471 -1.955 -2.617) 4.096 2.650 ( -8.208 8.072 9.635) 15.012 2.797 ( 7.409 3.121 4.809) 9.368 2.934 ( 2.815 9.639 6.489) 11.956 3.164 ( -0.953 6.022 -5.015) 7.894 3.300 ( 6.101 13.292 -3.368) 15.008 3.383 ( 4.551 3.465 -5.029) 7.616 3.603 ( -6.558 -9.039 3.348) 11.659 3.767 ( 1.083 -11.000 -8.659) 14.041 3.854 ( 3.448 -8.792 -4.087) 10.291 3.967 ( 3.848 -9.300 -5.789) 11.611 5.383 ( 0.409 -6.191 7.387) 9.647 5.552 ( 0.193 -2.440 4.888) 5.466 5.597 ( -1.299 -2.620 -0.120) 2.926 5.610 ( 0.337 0.342 3.059) 3.097 5.704 ( -1.232 0.146 -2.066) 2.410 5.778 ( -0.399 -1.954 -0.869) 2.175 5.798 ( -1.389 -3.574 -1.821) 4.245 5.860 ( -1.542 -0.622 -3.017) 3.445 5.936 ( -0.298 -2.987 8.690) 9.194 6.087 ( 4.905 -2.136 0.444) 5.369 6.160 ( 3.027 -1.566 -3.217) 4.687 6.272 ( 3.550 -1.110 -1.278) 3.933 6.660 ( -0.376 0.432 1.998) 2.078 6.760 ( -3.743 -0.296 -0.432) 3.779 6.790 ( 0.064 0.207 -0.266) 0.343 6.821 ( -1.821 -1.719 0.480) 2.550 7.044 ( -0.888 -0.590 2.560) 2.773 7.186 ( 1.586 -1.122 -5.748) 6.067 7.323 ( -2.109 1.841 1.585) 3.217 7.376 ( 0.022 3.513 0.480) 3.546 7.491 ( 1.362 2.952 3.960) 5.123 7.651 ( -3.366 3.102 -4.026) 6.096 8.034 ( -0.986 2.788 9.853) 10.287 8.512 ( 3.352 3.445 -11.464) 12.431 8.814 ( -3.313 3.465 0.275) 4.802 8.898 ( -4.930 3.240 -4.520) 7.432 13.490 ( 0.190 -2.096 2.117) 2.985 13.500 ( 1.438 -1.685 1.824) 2.869 15.118 ( -0.791 -1.944 -0.236) 2.112 15.153 ( -1.058 -1.112 -1.785) 2.354 15.261 ( 1.122 1.213 4.735) 5.015 15.516 ( -0.778 1.296 5.923) 6.113 15.571 ( 2.103 2.142 -6.671) 7.315 15.776 ( 0.992 3.135 -9.069) 9.647 ======================= Grid point 267 (83/125) ======================= q-point: ( 0.33 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 8.208 -2.837 5.698) 10.387 1.235 ( 6.362 2.269 11.306) 13.170 1.356 ( 6.065 0.268 0.324) 6.080 1.672 ( -5.052 -2.910 -0.477) 5.850 1.836 ( -3.624 2.813 4.619) 6.510 1.963 ( -4.578 -3.138 1.601) 5.776 2.038 ( -4.550 0.972 1.178) 4.800 2.091 ( -8.665 2.255 -6.438) 11.029 2.254 ( -5.309 -1.759 -2.794) 6.252 2.394 ( -4.912 11.621 6.610) 14.243 2.471 ( -0.229 6.259 -13.496) 14.878 2.721 ( 0.822 10.608 -4.616) 11.598 2.920 ( 8.075 -4.325 13.585) 16.385 2.932 ( 2.434 14.154 1.627) 14.453 3.258 ( 14.506 3.661 -5.675) 16.001 3.357 ( 2.769 1.967 -4.182) 5.388 3.727 ( -8.214 -9.929 5.707) 14.093 3.969 ( -0.650 -10.642 -5.293) 11.904 4.028 ( 1.863 -8.453 2.172) 8.924 4.132 ( 1.531 -6.382 -0.742) 6.605 5.502 ( -0.446 -5.582 5.530) 7.870 5.592 ( 0.209 0.382 5.606) 5.623 5.623 ( -1.219 -3.444 1.121) 3.821 5.634 ( -1.078 -2.338 0.132) 2.578 5.699 ( 0.516 -0.834 0.058) 0.982 5.799 ( -0.968 -0.538 -0.858) 1.401 5.877 ( -2.510 -6.944 0.678) 7.415 5.902 ( -1.864 -5.536 1.482) 6.027 6.000 ( 0.099 -4.009 8.351) 9.264 6.172 ( 4.496 -3.023 0.035) 5.418 6.220 ( 4.402 -1.647 -3.060) 5.608 6.340 ( 5.006 -4.109 -1.528) 6.654 6.649 ( -0.448 0.364 1.185) 1.318 6.742 ( -2.776 0.204 -2.166) 3.527 6.789 ( -1.104 -0.421 0.558) 1.307 6.848 ( -1.095 -2.027 -0.821) 2.445 7.063 ( 0.881 -1.554 1.535) 2.355 7.204 ( 0.465 0.453 -4.867) 4.910 7.269 ( -0.786 3.428 0.744) 3.595 7.295 ( -1.140 3.596 0.286) 3.783 7.440 ( 2.122 3.577 2.291) 4.748 7.561 ( -2.726 4.424 -4.088) 6.611 7.959 ( -2.086 3.989 9.804) 10.788 8.441 ( 3.242 7.016 -11.644) 13.975 8.711 ( -3.482 4.877 -0.523) 6.015 8.786 ( -5.527 5.077 -4.828) 8.924 13.542 ( 0.069 -3.374 2.191) 4.024 13.549 ( 1.346 -2.696 2.085) 3.664 15.135 ( -1.247 -1.053 0.406) 1.682 15.188 ( -0.098 -2.232 -2.051) 3.033 15.241 ( 0.946 1.576 3.470) 3.927 15.490 ( -0.392 0.750 4.537) 4.616 15.529 ( 3.241 4.694 -6.550) 8.686 15.705 ( -1.192 4.106 -6.751) 7.991 ======================= Grid point 268 (84/125) ======================= q-point: ( 0.44 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 8.017 -2.120 3.205) 8.890 1.263 ( 5.260 -0.835 4.249) 6.814 1.417 ( 5.156 -3.279 3.576) 7.080 1.679 ( -4.747 -1.256 -3.003) 5.756 1.747 ( -2.877 3.619 -0.624) 4.665 1.906 ( -1.361 9.069 -3.578) 9.843 1.995 ( -10.648 -5.217 4.840) 12.807 2.046 ( -7.775 -0.132 -1.253) 7.876 2.182 ( -2.055 2.851 3.328) 4.840 2.262 ( -4.197 2.559 -7.742) 9.170 2.340 ( 1.437 8.723 -11.390) 14.418 2.559 ( -5.241 1.696 -12.800) 13.935 2.733 ( 7.415 11.762 7.959) 16.021 3.045 ( 11.364 0.745 0.560) 11.402 3.286 ( 10.762 2.285 -2.204) 11.220 3.350 ( 0.313 0.422 -1.629) 1.712 3.858 ( -7.563 -10.677 9.385) 16.102 4.125 ( -0.705 -7.037 -0.684) 7.105 4.170 ( 0.319 -6.055 4.604) 7.614 4.208 ( 0.550 -1.586 3.129) 3.550 5.554 ( -0.260 -1.078 1.496) 1.862 5.582 ( -1.152 0.728 1.927) 2.360 5.654 ( -1.021 -2.969 4.800) 5.735 5.676 ( -1.038 -2.701 1.590) 3.302 5.742 ( 0.258 -2.061 -0.716) 2.198 5.794 ( -0.663 0.251 -0.393) 0.810 5.984 ( -0.456 -4.969 4.666) 6.832 6.041 ( -0.398 -6.371 6.086) 8.819 6.084 ( -1.209 -8.704 5.339) 10.282 6.238 ( 3.201 -0.980 1.314) 3.596 6.262 ( 3.401 -1.834 3.559) 5.253 6.479 ( 5.994 -5.915 -3.929) 9.292 6.647 ( 0.086 -0.388 -0.324) 0.513 6.705 ( -2.506 2.136 -2.719) 4.271 6.790 ( -2.403 -0.810 0.672) 2.623 6.867 ( -2.015 -1.098 -1.674) 2.841 7.046 ( 1.861 6.826 2.461) 7.491 7.191 ( 2.085 1.279 -3.067) 3.923 7.213 ( 0.266 0.586 0.128) 0.656 7.260 ( -0.997 0.462 -3.531) 3.698 7.406 ( 1.649 1.419 0.182) 2.183 7.471 ( -1.498 3.567 -3.722) 5.369 7.892 ( -2.751 0.638 6.010) 6.640 8.300 ( 1.547 10.346 -11.027) 15.199 8.620 ( -1.873 2.816 -1.811) 3.837 8.661 ( -4.717 4.522 -4.093) 7.710 13.601 ( -0.262 -3.016 2.396) 3.861 13.607 ( 1.170 -2.593 2.204) 3.599 15.149 ( -0.505 -1.289 1.236) 1.856 15.207 ( 0.055 -0.048 -0.681) 0.685 15.224 ( 0.131 0.788 0.866) 1.178 15.435 ( 3.408 7.536 -8.251) 11.682 15.503 ( -0.208 -1.945 3.452) 3.968 15.633 ( -2.178 2.470 -3.068) 4.501 ======================= Grid point 269 (85/125) ======================= q-point: ( 0.56 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -0.238 2.187 2.185) 3.100 1.315 ( 6.701 -0.036 0.726) 6.740 1.547 ( 2.498 -7.249 1.229) 7.765 1.637 ( -7.058 0.337 -3.324) 7.809 1.678 ( -0.694 10.171 -0.208) 10.196 1.756 ( 4.347 0.650 -5.952) 7.399 2.005 ( -6.327 -3.508 -4.239) 8.385 2.041 ( -5.960 -6.344 2.664) 9.103 2.141 ( -0.971 4.626 -5.471) 7.230 2.226 ( -1.222 -4.850 0.897) 5.081 2.266 ( 4.186 1.397 -9.631) 10.593 2.534 ( 2.251 6.969 1.359) 7.449 2.614 ( -6.057 -2.049 -4.390) 7.756 3.017 ( 12.738 10.314 -9.808) 19.100 3.316 ( -2.037 2.539 1.606) 3.630 3.323 ( 1.429 -0.605 0.661) 1.687 4.009 ( -3.808 -9.851 10.747) 15.068 4.176 ( 1.568 2.488 7.096) 7.681 4.227 ( -1.169 -2.327 2.136) 3.368 4.253 ( 0.512 -2.096 4.011) 4.555 5.550 ( -1.687 0.398 1.716) 2.439 5.580 ( 1.885 -0.588 0.473) 2.031 5.705 ( -1.774 -3.194 3.967) 5.393 5.720 ( -0.869 -2.659 1.646) 3.246 5.760 ( 0.412 0.208 -0.171) 0.492 5.781 ( 0.463 1.189 0.805) 1.508 6.050 ( -0.673 -0.325 8.188) 8.222 6.071 ( 1.311 -1.692 5.172) 5.597 6.217 ( -0.060 -3.391 2.597) 4.271 6.246 ( -0.808 0.481 4.514) 4.611 6.406 ( 3.412 -10.137 4.471) 11.593 6.553 ( 2.133 3.847 -2.807) 5.218 6.623 ( -4.649 2.799 -2.231) 5.867 6.676 ( 2.123 -0.771 -0.858) 2.417 6.788 ( -0.771 -1.104 1.947) 2.368 6.853 ( 1.427 2.625 2.431) 3.852 6.967 ( -2.350 -2.453 -1.765) 3.829 7.108 ( 1.338 7.342 -5.510) 9.276 7.246 ( 0.793 -0.697 -0.322) 1.104 7.256 ( 0.519 0.157 -0.203) 0.579 7.386 ( -3.094 1.190 -1.575) 3.670 7.441 ( 3.251 -0.073 -3.238) 4.589 7.932 ( -1.916 -6.886 -2.378) 7.532 8.112 ( 0.325 10.302 -8.446) 13.326 8.570 ( -3.358 1.044 -2.290) 4.197 8.608 ( 1.390 -0.552 -3.846) 4.126 13.637 ( -0.410 -1.010 2.649) 2.864 13.648 ( 0.651 -1.015 2.252) 2.555 15.174 ( -0.050 -1.527 1.196) 1.941 15.197 ( -0.147 1.128 0.278) 1.171 15.226 ( -0.330 -1.679 -1.281) 2.138 15.319 ( 1.591 6.541 -5.738) 8.845 15.553 ( 0.346 -3.142 0.432) 3.190 15.584 ( -1.191 1.967 -0.930) 2.481 ======================= Grid point 270 (86/125) ======================= q-point: (-0.33 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -2.763 4.463 3.387) 6.247 1.303 ( 3.262 5.408 -0.851) 6.373 1.429 ( -5.544 9.993 1.630) 11.543 1.640 ( -1.591 -5.175 0.601) 5.447 1.741 ( 1.657 -10.283 -5.024) 11.564 1.826 ( 6.111 -0.563 -8.029) 10.106 2.034 ( -7.217 -5.228 -1.450) 9.029 2.148 ( 4.743 -2.515 -1.334) 5.532 2.197 ( 1.622 -11.493 -4.669) 12.511 2.297 ( 10.358 -2.832 -6.938) 12.784 2.348 ( -5.779 -8.147 0.783) 10.019 2.367 ( 3.783 10.812 8.403) 14.206 2.662 ( -12.829 -7.976 -9.445) 17.816 2.877 ( 7.926 11.937 -11.971) 18.672 3.207 ( -4.599 6.536 5.742) 9.841 3.334 ( -1.012 -0.097 -0.881) 1.345 4.112 ( 3.044 5.589 7.961) 10.192 4.136 ( -1.026 -5.244 8.093) 9.697 4.217 ( -1.606 2.603 4.763) 5.660 4.257 ( 0.644 2.290 1.752) 2.955 5.541 ( -0.739 -0.406 2.902) 3.022 5.613 ( 2.278 -1.384 -0.778) 2.777 5.719 ( -0.935 1.305 2.372) 2.864 5.737 ( 0.292 2.708 2.735) 3.860 5.751 ( -0.584 -0.589 1.726) 1.914 5.772 ( 0.594 -0.888 0.963) 1.438 6.020 ( -1.153 1.261 7.996) 8.177 6.112 ( 2.604 0.178 5.305) 5.912 6.208 ( -1.603 2.258 4.016) 4.878 6.251 ( 0.691 -0.443 2.299) 2.441 6.362 ( -0.513 14.462 1.910) 14.596 6.467 ( -3.564 5.156 -5.143) 8.108 6.617 ( -0.448 -4.007 2.263) 4.623 6.715 ( 1.959 -1.769 -1.331) 2.956 6.843 ( 1.508 -0.081 0.706) 1.668 6.856 ( 1.319 -6.010 4.320) 7.518 6.980 ( -1.071 6.103 -5.510) 8.291 7.059 ( -1.802 -6.963 -2.461) 7.601 7.224 ( -0.050 1.258 1.600) 2.036 7.273 ( 1.074 -0.162 -1.527) 1.874 7.350 ( -2.474 0.316 0.903) 2.652 7.479 ( 2.583 -1.666 -4.431) 5.392 7.968 ( 0.576 5.207 -3.692) 6.409 8.084 ( -1.343 -9.992 -8.991) 13.509 8.574 ( -0.645 -2.980 -0.756) 3.141 8.666 ( 2.542 -4.051 -4.669) 6.684 13.629 ( -0.555 1.579 2.862) 3.315 13.648 ( 0.258 1.358 2.186) 2.586 15.174 ( 0.001 0.872 0.931) 1.275 15.205 ( 0.318 -1.295 0.087) 1.336 15.236 ( 0.286 3.049 -2.345) 3.857 15.278 ( -1.066 -4.412 -4.097) 6.114 15.540 ( -0.402 2.165 1.361) 2.589 15.614 ( 0.757 -3.071 -1.814) 3.646 ======================= Grid point 271 (87/125) ======================= q-point: (-0.22 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -2.090 4.348 4.970) 6.927 1.191 ( -0.330 5.573 11.097) 12.422 1.297 ( -2.436 2.838 -4.079) 5.534 1.721 ( -0.174 -3.311 -2.782) 4.328 1.853 ( 2.933 -1.262 -4.662) 5.651 1.982 ( 4.283 -12.458 -3.864) 13.729 2.064 ( -4.968 -0.007 4.156) 6.477 2.201 ( -0.493 3.325 -1.219) 3.576 2.230 ( 3.930 -1.301 3.086) 5.164 2.401 ( 1.559 -8.366 -0.833) 8.551 2.439 ( 8.657 -3.409 -3.747) 10.030 2.567 ( -2.353 -18.515 -3.057) 18.912 2.699 ( 2.101 1.775 -10.537) 10.890 2.763 ( -7.852 -3.646 -8.101) 11.857 3.034 ( -4.574 8.650 10.086) 14.052 3.321 ( -0.893 0.526 -3.647) 3.791 4.020 ( 3.875 7.091 5.277) 9.651 4.105 ( -2.598 7.564 6.631) 10.389 4.165 ( 1.273 6.035 0.178) 6.170 4.184 ( -1.306 2.816 2.143) 3.772 5.554 ( 0.042 -1.209 4.099) 4.274 5.640 ( 1.986 3.796 4.561) 6.257 5.664 ( -0.549 0.781 0.979) 1.367 5.681 ( -0.299 1.864 2.109) 2.830 5.736 ( -0.026 3.234 0.127) 3.237 5.796 ( -0.269 -1.344 1.229) 1.841 5.993 ( 0.238 1.943 4.606) 5.005 6.076 ( 1.493 6.145 7.274) 9.639 6.097 ( -0.610 10.682 3.381) 11.221 6.168 ( -1.218 2.526 -0.898) 2.945 6.251 ( 2.642 1.976 -0.831) 3.402 6.320 ( -5.057 6.790 -5.218) 9.945 6.653 ( 0.497 -0.618 1.132) 1.382 6.750 ( 0.650 -1.036 -1.556) 1.979 6.840 ( 0.748 2.344 -0.769) 2.578 6.877 ( -0.373 1.150 -1.858) 2.217 7.004 ( -0.725 -5.870 3.737) 6.996 7.148 ( -0.668 -3.667 -2.457) 4.464 7.228 ( 0.484 -1.958 1.546) 2.541 7.279 ( 0.269 -0.401 -2.270) 2.320 7.354 ( -0.910 -2.093 3.981) 4.589 7.537 ( 1.447 -3.451 -4.295) 5.696 7.936 ( 0.542 -0.932 1.498) 1.845 8.250 ( -1.091 -8.993 -11.816) 14.890 8.657 ( 0.666 -5.660 0.451) 5.717 8.771 ( 1.835 -5.592 -4.426) 7.363 13.580 ( -0.477 3.136 2.897) 4.296 13.607 ( 0.074 3.132 1.956) 3.693 15.164 ( 0.333 0.365 0.454) 0.671 15.209 ( 0.132 0.105 0.373) 0.409 15.220 ( -0.129 0.221 -1.328) 1.353 15.364 ( -1.194 -5.792 -6.393) 8.709 15.506 ( 0.059 1.144 4.380) 4.527 15.672 ( 0.566 -2.898 -3.352) 4.467 ======================= Grid point 272 (88/125) ======================= q-point: (-0.11 0.11 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -0.000 3.608 7.380) 8.214 1.153 ( 0.000 -1.344 17.836) 17.887 1.262 ( -0.000 0.352 -5.322) 5.333 1.745 ( -0.000 0.082 -7.646) 7.646 1.924 ( -0.000 8.311 8.693) 12.027 1.929 ( 0.000 -5.575 5.265) 7.668 2.147 ( -0.000 3.622 -2.897) 4.638 2.257 ( 0.000 -11.290 -5.707) 12.651 2.291 ( 0.000 -2.858 1.717) 3.334 2.470 ( -0.000 1.531 -4.203) 4.473 2.543 ( 0.000 -7.460 2.129) 7.758 2.742 ( 0.000 -7.723 -0.082) 7.723 2.804 ( -0.000 2.296 13.049) 13.249 2.931 ( 0.000 -20.166 -6.257) 21.115 2.933 ( 0.000 -5.120 -6.389) 8.187 3.314 ( 0.000 -0.226 -6.276) 6.280 3.912 ( 0.000 7.341 -0.037) 7.342 3.912 ( 0.000 11.522 7.212) 13.593 3.993 ( -0.000 11.885 -4.394) 12.672 4.097 ( -0.000 7.601 -1.263) 7.706 5.520 ( -0.000 7.963 9.752) 12.590 5.580 ( 0.000 -1.397 5.334) 5.514 5.634 ( -0.000 6.452 2.715) 7.000 5.652 ( -0.000 1.388 0.461) 1.463 5.692 ( 0.000 -1.623 -1.706) 2.355 5.809 ( -0.000 0.109 -0.397) 0.412 5.920 ( -0.000 6.135 -3.219) 6.928 5.939 ( -0.000 5.278 -0.035) 5.278 6.001 ( -0.000 4.204 9.522) 10.409 6.098 ( -0.000 5.134 -2.899) 5.896 6.171 ( -0.000 3.998 -5.186) 6.548 6.253 ( -0.000 0.957 -0.361) 1.023 6.660 ( 0.000 -0.179 1.561) 1.571 6.766 ( 0.000 -0.614 -1.846) 1.946 6.808 ( -0.000 0.693 1.893) 2.016 6.871 ( -0.000 0.541 -0.081) 0.547 7.049 ( 0.000 -0.211 1.677) 1.690 7.183 ( 0.000 -0.007 -5.581) 5.581 7.290 ( 0.000 -4.171 2.004) 4.628 7.311 ( 0.000 -3.075 0.703) 3.154 7.408 ( 0.000 -4.029 5.764) 7.033 7.617 ( 0.000 -4.601 -3.934) 6.053 7.984 ( 0.000 -3.473 4.678) 5.826 8.386 ( 0.000 -6.477 -12.557) 14.129 8.765 ( 0.000 -5.637 1.326) 5.791 8.876 ( 0.000 -5.186 -3.504) 6.259 13.521 ( -0.000 3.008 2.636) 4.000 13.546 ( -0.000 3.430 1.747) 3.849 15.160 ( -0.000 0.557 -0.660) 0.863 15.192 ( -0.000 2.396 -2.062) 3.161 15.224 ( 0.000 -1.384 2.811) 3.133 15.462 ( 0.000 -5.303 -8.188) 9.755 15.505 ( 0.000 -0.843 6.423) 6.479 15.725 ( 0.000 -2.726 -4.299) 5.091 ======================= Grid point 275 (89/125) ======================= q-point: ( 0.22 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 9.102 -0.000 9.566) 13.204 1.319 ( 5.498 -0.000 8.633) 10.236 1.406 ( 7.760 -0.000 1.080) 7.835 1.589 ( -5.257 0.000 4.152) 6.699 1.842 ( 0.842 -0.000 -0.220) 0.870 1.942 ( -4.922 0.000 -5.195) 7.157 2.024 ( -7.713 0.000 4.352) 8.856 2.082 ( -12.037 0.000 1.812) 12.172 2.377 ( 8.006 -0.000 9.942) 12.765 2.419 ( -4.256 0.000 -1.956) 4.684 2.684 ( -6.667 0.000 13.450) 15.012 2.891 ( 8.335 -0.000 1.593) 8.486 3.079 ( 4.434 -0.000 11.383) 12.216 3.168 ( -6.362 0.000 -9.050) 11.062 3.443 ( -6.338 0.000 1.623) 6.543 3.477 ( 7.029 -0.000 -1.849) 7.268 3.499 ( -1.132 0.000 3.651) 3.822 3.676 ( 4.216 -0.000 -9.826) 10.693 3.749 ( 4.290 -0.000 -12.826) 13.525 3.904 ( 5.073 -0.000 -9.781) 11.019 5.327 ( 0.790 -0.000 6.419) 6.467 5.537 ( -1.027 0.000 -4.437) 4.554 5.549 ( 0.481 -0.000 7.507) 7.522 5.628 ( 1.318 -0.000 4.067) 4.275 5.678 ( -3.580 0.000 -2.760) 4.521 5.764 ( 0.393 -0.000 -0.846) 0.933 5.766 ( -0.699 0.000 -1.426) 1.588 5.860 ( -0.284 0.000 -5.199) 5.207 5.893 ( -1.667 0.000 11.473) 11.593 6.101 ( 5.299 -0.000 1.426) 5.488 6.163 ( 2.826 -0.000 -2.027) 3.478 6.290 ( 4.792 -0.000 -1.845) 5.135 6.663 ( -0.220 0.000 2.121) 2.133 6.723 ( -5.106 0.000 -0.106) 5.107 6.780 ( -2.938 0.000 1.180) 3.166 6.807 ( 1.497 -0.000 -1.817) 2.355 7.025 ( -2.710 0.000 3.527) 4.448 7.184 ( 0.966 -0.000 -5.382) 5.468 7.324 ( -2.600 0.000 1.488) 2.995 7.410 ( 0.257 -0.000 -0.552) 0.609 7.529 ( 1.753 -0.000 2.676) 3.199 7.657 ( -3.599 0.000 -3.953) 5.346 8.053 ( -1.289 0.000 13.162) 13.225 8.567 ( 3.848 -0.000 -10.399) 11.088 8.823 ( -3.872 0.000 -1.024) 4.005 8.895 ( -5.117 0.000 -6.357) 8.161 13.470 ( -0.019 0.000 2.422) 2.422 13.496 ( 1.751 -0.000 1.482) 2.293 15.094 ( -0.277 0.000 0.128) 0.305 15.134 ( -1.655 0.000 -1.624) 2.318 15.281 ( 1.356 -0.000 5.641) 5.802 15.524 ( -0.903 0.000 5.912) 5.981 15.595 ( 0.702 -0.000 -4.074) 4.134 15.823 ( 2.713 -0.000 -13.943) 14.204 ======================= Grid point 276 (90/125) ======================= q-point: ( 0.33 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 9.778 -1.458 7.749) 12.561 1.332 ( 6.844 2.572 7.927) 10.784 1.432 ( 8.045 2.470 2.307) 8.727 1.583 ( -4.804 -2.630 3.354) 6.422 1.830 ( -5.595 0.090 4.105) 6.940 1.911 ( -8.005 0.407 -1.347) 8.128 1.976 ( -6.223 -1.094 1.164) 6.425 2.040 ( -5.928 -2.057 -4.324) 7.621 2.279 ( -2.269 6.094 0.535) 6.525 2.521 ( 1.061 -1.653 -4.078) 4.527 2.557 ( -3.011 8.018 10.009) 13.174 2.910 ( 9.322 3.654 6.915) 12.168 2.961 ( 0.506 8.697 0.932) 8.761 3.131 ( -2.071 5.159 4.094) 6.903 3.380 ( 4.632 5.877 -5.709) 9.412 3.428 ( -2.016 -0.582 3.234) 3.855 3.555 ( 3.410 -3.474 0.753) 4.926 3.785 ( 1.601 -8.772 -9.961) 13.370 3.883 ( 0.653 -8.071 -4.998) 9.516 4.010 ( 2.564 -7.549 -5.603) 9.744 5.391 ( 0.731 -5.846 5.552) 8.095 5.555 ( 0.139 -2.514 2.730) 3.714 5.579 ( -1.086 -2.372 0.832) 2.738 5.613 ( -0.261 1.110 2.076) 2.369 5.687 ( -1.120 -1.547 -1.541) 2.454 5.771 ( -0.665 -1.605 0.595) 1.837 5.780 ( -1.150 -1.969 -0.627) 2.365 5.836 ( -2.067 0.286 -0.198) 2.096 5.933 ( -0.167 -3.747 8.005) 8.840 6.158 ( 5.268 -2.058 0.643) 5.692 6.209 ( 4.517 -2.866 -1.908) 5.680 6.329 ( 4.943 -0.735 -1.400) 5.190 6.654 ( -0.662 0.597 1.512) 1.755 6.706 ( -3.731 -1.239 -0.480) 3.961 6.774 ( -2.338 -0.936 0.321) 2.539 6.817 ( 0.618 -0.421 -1.566) 1.735 7.021 ( -2.423 -1.940 3.162) 4.431 7.194 ( -0.894 -0.843 -5.230) 5.373 7.296 ( -1.447 1.180 0.314) 1.893 7.375 ( -0.170 3.997 -0.356) 4.016 7.516 ( 2.257 2.787 1.284) 3.809 7.610 ( -2.612 2.662 -3.712) 5.262 8.014 ( -2.012 3.115 15.164) 15.611 8.561 ( 3.864 3.603 -10.210) 11.496 8.763 ( -4.210 3.458 -1.985) 5.798 8.830 ( -4.934 3.448 -7.269) 9.438 13.490 ( -0.075 -2.148 2.578) 3.357 13.521 ( 1.539 -1.522 1.527) 2.649 15.106 ( -0.936 -1.156 0.110) 1.491 15.142 ( -0.565 -2.122 -1.603) 2.719 15.277 ( 1.258 1.351 5.538) 5.838 15.505 ( -0.880 1.213 5.618) 5.815 15.591 ( 0.855 0.961 -3.066) 3.325 15.796 ( 1.946 4.749 -14.768) 15.634 ======================= Grid point 277 (91/125) ======================= q-point: ( 0.44 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 9.838 -2.432 4.506) 11.091 1.330 ( 7.533 2.757 6.312) 10.208 1.443 ( 7.089 1.455 3.749) 8.151 1.604 ( -5.344 -2.874 1.124) 6.171 1.778 ( -4.979 1.808 4.771) 7.129 1.842 ( -11.744 -1.830 2.659) 12.180 1.958 ( -7.419 -0.857 0.752) 7.506 2.038 ( -0.634 1.396 -8.592) 8.728 2.194 ( -4.106 0.056 -3.613) 5.470 2.320 ( -4.206 11.133 7.710) 14.180 2.504 ( 3.370 6.683 -16.009) 17.672 2.708 ( -2.392 14.095 -9.058) 16.925 2.979 ( 4.208 10.362 10.231) 15.158 3.042 ( 9.838 -5.690 11.085) 15.876 3.364 ( 1.914 0.880 -4.201) 4.700 3.448 ( 9.052 1.897 -2.266) 9.522 3.625 ( -5.691 -6.186 3.705) 9.185 3.965 ( -0.125 -9.796 -6.574) 11.798 4.029 ( -1.747 -8.819 3.378) 9.604 4.148 ( 0.794 -5.605 -0.394) 5.675 5.502 ( 0.380 -4.770 3.168) 5.739 5.589 ( -0.674 0.391 1.126) 1.369 5.608 ( -0.837 -2.334 3.923) 4.641 5.619 ( -1.117 -2.428 0.886) 2.816 5.704 ( 0.352 -1.648 -0.157) 1.693 5.785 ( -1.020 -0.212 0.127) 1.049 5.842 ( -2.572 -6.841 2.436) 7.704 5.884 ( -0.896 -7.278 1.878) 7.569 6.004 ( 0.349 -3.703 8.570) 9.342 6.228 ( 3.863 -2.532 1.877) 4.985 6.290 ( 5.955 0.113 -0.644) 5.991 6.405 ( 4.534 -5.505 -2.272) 7.485 6.640 ( -1.096 0.070 -0.101) 1.103 6.706 ( -2.153 -0.393 -1.301) 2.546 6.765 ( -2.877 -0.022 0.108) 2.879 6.832 ( -1.252 -1.115 -1.834) 2.484 7.078 ( 1.453 -4.529 0.464) 4.779 7.200 ( -0.847 -0.545 -3.698) 3.833 7.267 ( -0.145 5.029 -0.396) 5.046 7.278 ( -0.853 2.444 -1.773) 3.138 7.465 ( 1.362 3.868 -0.121) 4.102 7.538 ( -0.545 3.961 -3.671) 5.428 7.926 ( -2.766 4.389 14.792) 15.675 8.481 ( 2.712 7.991 -11.100) 13.944 8.663 ( -3.760 4.015 -2.047) 5.869 8.720 ( -4.105 5.070 -6.272) 9.049 13.540 ( -0.165 -3.343 2.602) 4.240 13.568 ( 1.200 -2.533 1.694) 3.275 15.121 ( -0.793 -1.342 0.975) 1.839 15.187 ( 0.007 -2.316 -2.159) 3.166 15.253 ( 0.772 1.952 4.207) 4.702 15.483 ( -0.580 0.253 5.094) 5.133 15.569 ( 2.543 3.189 -5.074) 6.510 15.691 ( -0.882 6.477 -10.634) 12.483 ======================= Grid point 278 (92/125) ======================= q-point: ( 0.56 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 4.571 3.135 3.075) 6.338 1.350 ( 8.669 -1.817 1.590) 8.999 1.482 ( 4.651 -1.916 3.870) 6.346 1.598 ( -7.488 -0.268 -2.315) 7.842 1.714 ( -2.426 -0.172 3.539) 4.294 1.856 ( -5.278 -4.408 4.259) 8.089 1.925 ( -2.349 -0.355 -4.045) 4.691 1.952 ( -3.714 7.547 -3.243) 9.015 2.164 ( -2.578 1.896 1.862) 3.703 2.178 ( -4.993 0.183 -6.182) 7.948 2.388 ( 4.290 7.652 -12.956) 15.646 2.498 ( -4.218 4.681 -13.708) 15.086 2.820 ( 5.251 11.323 11.464) 16.947 3.184 ( 9.160 -1.988 2.509) 9.703 3.344 ( -0.586 1.819 -0.809) 2.075 3.404 ( 6.105 8.650 -9.686) 14.350 3.764 ( -6.138 -13.287 12.757) 19.415 4.118 ( -0.327 -7.238 -2.313) 7.605 4.164 ( -0.945 -6.587 5.807) 8.832 4.213 ( 0.266 -1.555 3.939) 4.243 5.545 ( -0.811 -0.303 1.205) 1.484 5.582 ( 0.696 -0.217 -0.129) 0.740 5.641 ( -0.858 -2.657 5.706) 6.352 5.661 ( -1.091 -2.980 1.720) 3.610 5.743 ( -0.090 -1.941 -1.219) 2.294 5.785 ( -0.673 -0.302 -0.055) 0.740 5.977 ( -0.434 -7.877 4.489) 9.076 6.043 ( 0.486 -3.950 7.258) 8.278 6.069 ( -1.075 -8.834 4.479) 9.962 6.274 ( 2.280 2.552 3.205) 4.689 6.313 ( 3.639 -3.644 6.145) 8.018 6.552 ( 5.119 -5.385 -3.807) 8.349 6.637 ( -1.584 0.102 -3.012) 3.405 6.674 ( -2.417 1.675 -1.974) 3.542 6.761 ( -1.885 -1.578 0.889) 2.614 6.839 ( -1.604 -1.415 -2.013) 2.937 7.066 ( 1.167 9.421 2.943) 9.939 7.215 ( 1.421 -0.741 -2.862) 3.280 7.224 ( 1.198 -1.227 -2.090) 2.703 7.248 ( -0.900 0.888 -5.005) 5.162 7.405 ( -1.174 2.883 -1.241) 3.351 7.479 ( 1.794 2.434 -3.713) 4.788 7.855 ( -2.513 0.292 9.438) 9.771 8.312 ( 0.473 11.314 -10.446) 15.406 8.583 ( -3.121 2.715 -2.847) 5.022 8.625 ( -0.899 2.492 -4.494) 5.216 13.598 ( -0.195 -2.940 2.656) 3.967 13.620 ( 0.709 -2.379 1.873) 3.109 15.144 ( -0.248 -1.608 1.537) 2.238 15.208 ( 0.060 0.045 -1.012) 1.015 15.225 ( 0.107 1.199 1.795) 2.161 15.477 ( 2.803 8.854 -9.722) 13.445 15.500 ( -0.153 -2.373 2.962) 3.798 15.604 ( -2.100 1.707 -2.282) 3.540 ======================= Grid point 279 (93/125) ======================= q-point: ( 0.67 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( -0.007 5.038 3.058) 5.893 1.402 ( 5.608 2.586 -2.251) 6.573 1.541 ( -4.447 -3.101 1.044) 5.521 1.574 ( -0.536 -2.098 0.156) 2.171 1.674 ( 0.080 11.741 -3.105) 12.145 1.813 ( 3.350 -6.529 0.324) 7.346 1.932 ( -3.762 -0.632 -9.782) 10.499 1.985 ( -2.542 -10.038 3.258) 10.855 2.138 ( 0.486 -0.872 -3.556) 3.694 2.191 ( -2.157 -3.909 -0.040) 4.465 2.351 ( 7.250 0.740 -12.195) 14.207 2.455 ( -8.449 -3.274 -11.765) 14.850 2.632 ( 2.571 12.343 11.359) 16.970 3.161 ( 8.053 12.591 -11.455) 18.831 3.284 ( -2.408 4.275 1.796) 5.225 3.319 ( -1.555 -0.500 0.235) 1.650 3.973 ( -1.532 -11.596 11.990) 16.750 4.194 ( 1.124 1.495 6.489) 6.753 4.212 ( -1.007 -2.012 2.215) 3.157 4.256 ( 0.085 -2.590 4.505) 5.197 5.535 ( -0.581 0.223 2.221) 2.307 5.601 ( 1.118 -1.052 -1.332) 2.032 5.686 ( -0.968 -2.834 4.785) 5.644 5.711 ( -0.390 -2.770 1.828) 3.342 5.764 ( 0.088 0.005 -0.682) 0.688 5.784 ( 0.030 0.142 0.602) 0.619 6.037 ( -0.682 1.500 11.029) 11.151 6.096 ( 1.472 -4.410 5.359) 7.095 6.217 ( 0.126 -4.314 0.381) 4.333 6.232 ( -0.990 1.886 3.529) 4.122 6.456 ( 3.449 -8.799 7.602) 12.130 6.560 ( -3.322 5.047 -1.857) 6.321 6.575 ( 0.277 6.056 -4.107) 7.322 6.687 ( -0.029 -2.548 -0.822) 2.677 6.792 ( 0.694 -2.125 1.863) 2.910 6.883 ( 3.000 1.380 1.578) 3.660 6.928 ( -3.405 -1.886 -0.524) 3.928 7.120 ( 0.509 8.081 -7.807) 11.248 7.246 ( -0.117 0.786 1.414) 1.622 7.273 ( 1.169 -1.051 -2.188) 2.695 7.352 ( -1.724 1.633 0.164) 2.380 7.476 ( 1.583 -0.285 -4.850) 5.110 7.911 ( -1.026 -7.420 -1.496) 7.639 8.113 ( -0.023 10.145 -8.167) 13.024 8.538 ( -1.341 0.019 -1.489) 2.004 8.622 ( 0.636 -1.740 -4.929) 5.265 13.633 ( -0.170 -0.883 2.821) 2.960 13.654 ( 0.244 -0.839 2.067) 2.244 15.173 ( -0.046 -1.484 1.276) 1.957 15.196 ( -0.018 0.853 0.284) 0.899 15.223 ( -0.115 -1.198 -0.915) 1.512 15.334 ( 0.685 7.333 -6.442) 9.785 15.555 ( -0.006 -2.908 0.268) 2.920 15.573 ( -0.403 0.891 -0.576) 1.135 ======================= Grid point 280 (94/125) ======================= q-point: (-0.22 0.22 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( -0.000 5.114 3.830) 6.389 1.350 ( -0.000 3.943 -4.900) 6.290 1.367 ( -0.000 13.115 4.594) 13.896 1.629 ( 0.000 -5.965 1.445) 6.137 1.755 ( 0.000 -11.423 -5.887) 12.850 1.880 ( -0.000 2.258 -12.048) 12.258 1.969 ( 0.000 -6.761 3.772) 7.742 2.186 ( 0.000 -3.031 -3.909) 4.947 2.223 ( 0.000 -16.182 0.188) 16.183 2.275 ( 0.000 -6.549 -0.643) 6.581 2.375 ( -0.000 6.213 -1.867) 6.487 2.444 ( -0.000 3.734 2.685) 4.599 2.530 ( 0.000 -8.970 -10.107) 13.514 2.935 ( -0.000 13.599 -12.560) 18.512 3.173 ( -0.000 7.325 6.745) 9.958 3.324 ( 0.000 -0.067 -1.296) 1.297 4.129 ( 0.000 -5.758 8.174) 9.999 4.136 ( -0.000 4.736 7.374) 8.764 4.204 ( -0.000 2.987 5.135) 5.940 4.261 ( -0.000 2.309 1.874) 2.974 5.537 ( 0.000 -0.604 3.245) 3.301 5.630 ( 0.000 -1.605 -1.844) 2.445 5.711 ( -0.000 0.808 2.702) 2.821 5.738 ( -0.000 0.875 2.961) 3.087 5.747 ( -0.000 0.998 1.874) 2.123 5.777 ( 0.000 -0.349 0.885) 0.951 6.012 ( -0.000 0.764 9.197) 9.228 6.137 ( -0.000 0.936 7.652) 7.709 6.189 ( -0.000 1.767 1.242) 2.160 6.259 ( 0.000 -0.850 1.069) 1.366 6.359 ( -0.000 14.556 1.710) 14.656 6.440 ( -0.000 7.133 -5.459) 8.982 6.616 ( 0.000 -4.814 3.424) 5.908 6.729 ( 0.000 -1.866 -0.623) 1.967 6.852 ( -0.000 0.127 0.116) 0.172 6.868 ( 0.000 -6.845 4.960) 8.453 6.970 ( -0.000 7.960 -7.164) 10.709 7.046 ( 0.000 -7.210 -1.912) 7.459 7.224 ( -0.000 0.921 2.076) 2.271 7.283 ( -0.000 0.258 -2.709) 2.722 7.331 ( 0.000 -0.065 2.412) 2.413 7.497 ( 0.000 -1.589 -4.827) 5.082 7.971 ( -0.000 4.798 -3.848) 6.150 8.074 ( 0.000 -9.794 -8.996) 13.299 8.570 ( 0.000 -3.770 -0.258) 3.779 8.683 ( 0.000 -4.496 -5.086) 6.789 13.625 ( -0.000 1.693 2.986) 3.432 13.649 ( -0.000 1.420 2.107) 2.541 15.174 ( -0.000 0.666 0.875) 1.100 15.207 ( 0.000 -1.330 0.039) 1.330 15.238 ( -0.000 3.263 -2.557) 4.145 15.271 ( 0.000 -3.899 -3.826) 5.463 15.537 ( -0.000 1.944 1.565) 2.496 15.619 ( 0.000 -3.222 -1.945) 3.764 ======================= Grid point 285 (95/125) ======================= q-point: ( 0.33 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 10.706 -0.000 7.887) 13.298 1.396 ( 5.832 -0.000 5.381) 7.935 1.517 ( 8.861 -0.000 2.399) 9.180 1.532 ( -3.358 0.000 3.300) 4.709 1.769 ( -11.990 0.000 5.741) 13.294 1.869 ( -6.260 0.000 -2.422) 6.712 1.923 ( -7.045 0.000 1.952) 7.310 1.998 ( -0.559 0.000 -2.804) 2.859 2.348 ( -6.167 0.000 -1.499) 6.347 2.488 ( 8.408 -0.000 1.583) 8.556 2.620 ( -2.928 0.000 12.739) 13.071 2.988 ( 4.583 -0.000 5.052) 6.821 3.086 ( -3.701 0.000 -7.052) 7.964 3.137 ( 4.066 -0.000 13.073) 13.691 3.361 ( -6.435 0.000 5.604) 8.533 3.480 ( -1.322 0.000 0.226) 1.341 3.567 ( 5.745 -0.000 2.471) 6.254 3.723 ( 2.706 -0.000 -10.635) 10.974 3.808 ( 4.493 -0.000 -14.854) 15.519 3.949 ( 1.846 -0.000 -9.762) 9.935 5.338 ( 0.817 -0.000 5.041) 5.107 5.526 ( -0.472 0.000 -4.441) 4.466 5.557 ( 0.631 -0.000 7.606) 7.633 5.629 ( -3.553 0.000 -2.463) 4.323 5.647 ( 1.612 -0.000 1.862) 2.462 5.755 ( -0.865 0.000 -0.334) 0.927 5.769 ( 0.370 -0.000 -0.618) 0.721 5.856 ( -0.304 0.000 -4.788) 4.798 5.870 ( -1.767 0.000 13.911) 14.023 6.171 ( 4.944 -0.000 1.602) 5.197 6.198 ( 2.385 -0.000 -0.193) 2.393 6.362 ( 5.704 -0.000 -2.504) 6.230 6.662 ( -3.799 0.000 -0.532) 3.836 6.664 ( 0.630 -0.000 1.775) 1.884 6.747 ( -2.234 0.000 1.298) 2.583 6.823 ( 0.723 -0.000 -2.441) 2.546 6.977 ( -4.164 0.000 4.195) 5.911 7.173 ( -2.646 0.000 -5.038) 5.691 7.298 ( -0.987 0.000 0.150) 0.998 7.413 ( 0.115 -0.000 -1.368) 1.373 7.558 ( 2.427 -0.000 -0.201) 2.435 7.617 ( -2.276 0.000 -3.346) 4.047 8.031 ( -1.985 0.000 18.886) 18.990 8.618 ( 3.856 -0.000 -8.603) 9.427 8.770 ( -4.088 0.000 -4.021) 5.734 8.835 ( -3.843 0.000 -9.805) 10.531 13.470 ( -0.057 0.000 2.902) 2.903 13.516 ( 1.213 -0.000 1.334) 1.803 15.091 ( -0.200 0.000 -0.044) 0.204 15.116 ( -1.062 0.000 -1.100) 1.529 15.299 ( 1.221 -0.000 6.533) 6.646 15.512 ( -0.852 0.000 5.232) 5.301 15.598 ( -0.158 0.000 -0.740) 0.757 15.860 ( 2.616 -0.000 -18.919) 19.099 ======================= Grid point 286 (96/125) ======================= q-point: ( 0.44 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 10.594 -1.071 5.873) 12.160 1.417 ( 5.352 1.627 3.698) 6.706 1.528 ( -2.366 -1.443 3.693) 4.617 1.545 ( 7.561 2.714 2.291) 8.354 1.701 ( -11.487 -1.975 8.175) 14.236 1.805 ( -7.348 2.158 1.892) 7.888 1.891 ( -6.007 -0.886 -0.342) 6.082 2.020 ( 0.679 -1.742 -5.293) 5.613 2.234 ( -3.815 5.731 -1.853) 7.129 2.502 ( -0.821 9.245 9.957) 13.612 2.585 ( 3.169 -0.247 -10.008) 10.501 2.936 ( -2.901 9.497 -7.674) 12.549 3.042 ( 10.228 0.700 10.917) 14.976 3.128 ( 0.936 3.962 13.714) 14.305 3.333 ( -9.606 -4.596 10.208) 14.751 3.423 ( 2.059 3.938 -5.175) 6.821 3.666 ( 9.946 -2.182 -1.241) 10.257 3.805 ( 1.207 -7.173 -11.155) 13.317 3.866 ( -3.355 -4.716 -6.853) 8.969 4.032 ( 0.847 -7.054 -5.453) 8.956 5.400 ( 0.633 -5.744 3.942) 6.995 5.555 ( -0.103 -2.660 -2.593) 3.716 5.572 ( -0.084 -1.284 5.688) 5.832 5.601 ( -1.313 0.384 -0.005) 1.368 5.680 ( 0.071 -1.770 -0.987) 2.028 5.761 ( -0.782 -0.972 2.135) 2.473 5.772 ( -0.057 -1.383 0.531) 1.482 5.809 ( -1.849 1.032 2.305) 3.130 5.931 ( -0.080 -4.414 7.304) 8.534 6.210 ( 2.613 -1.600 1.747) 3.527 6.275 ( 4.797 -5.548 -1.173) 7.427 6.391 ( 3.856 0.551 -1.780) 4.283 6.634 ( -1.999 0.476 -0.365) 2.087 6.683 ( 0.358 -0.975 0.921) 1.388 6.739 ( -2.865 -0.521 0.668) 2.987 6.822 ( -0.097 0.189 -2.223) 2.233 6.989 ( -2.091 -4.095 2.941) 5.458 7.166 ( -2.560 -1.316 -4.705) 5.516 7.289 ( 0.088 0.480 -1.548) 1.623 7.372 ( -0.196 4.479 -1.011) 4.596 7.543 ( 1.494 3.157 -1.322) 3.735 7.588 ( -0.648 1.908 -3.209) 3.789 7.986 ( -1.976 3.439 20.403) 20.785 8.610 ( 3.634 3.846 -8.938) 10.386 8.708 ( -4.108 3.540 -4.375) 6.968 8.779 ( -2.758 3.634 -9.782) 10.794 13.489 ( -0.081 -2.104 2.971) 3.642 13.537 ( 0.846 -1.533 1.378) 2.228 15.096 ( -0.547 -0.799 0.416) 1.054 15.138 ( -0.203 -2.659 -1.610) 3.115 15.292 ( 0.835 1.505 6.293) 6.524 15.495 ( -0.605 1.129 5.146) 5.303 15.596 ( 0.011 0.192 -0.499) 0.535 15.820 ( 1.540 5.820 -18.672) 19.619 ======================= Grid point 287 (97/125) ======================= q-point: ( 0.56 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 9.028 -2.058 2.921) 9.709 1.406 ( 3.131 2.920 2.653) 5.037 1.520 ( -4.506 -0.055 -0.615) 4.548 1.547 ( 4.988 1.487 5.200) 7.357 1.709 ( -7.075 1.889 6.786) 9.984 1.717 ( -3.776 -4.643 9.314) 11.071 1.871 ( -4.323 -1.215 -3.537) 5.716 2.045 ( 1.082 0.220 -8.981) 9.048 2.142 ( -3.060 1.833 -4.309) 5.594 2.293 ( -0.550 11.684 8.905) 14.700 2.542 ( 1.898 5.702 -18.530) 19.480 2.676 ( -1.808 15.398 -9.659) 18.267 3.023 ( 1.977 8.265 13.805) 16.211 3.158 ( 6.440 -4.646 7.546) 10.955 3.377 ( 0.343 2.310 -3.583) 4.277 3.453 ( -4.511 -13.268 14.654) 20.276 3.645 ( 4.726 8.967 -13.180) 16.627 3.964 ( 0.039 -9.208 -7.461) 11.851 3.995 ( -2.355 -10.706 6.618) 12.804 4.154 ( 0.185 -5.286 -0.146) 5.291 5.508 ( 0.413 -4.389 1.223) 4.575 5.580 ( -0.400 -0.185 -1.716) 1.772 5.600 ( -0.415 -1.838 7.105) 7.351 5.608 ( -0.502 -1.829 0.738) 2.035 5.708 ( 0.156 -1.694 -1.036) 1.992 5.776 ( -0.368 0.072 0.776) 0.861 5.816 ( -1.123 -6.987 4.179) 8.219 5.877 ( -0.254 -8.274 2.055) 8.530 6.007 ( 0.172 -3.626 8.328) 9.084 6.266 ( 1.639 -3.019 3.976) 5.255 6.357 ( 3.255 3.097 1.637) 4.782 6.451 ( 2.108 -7.885 -3.266) 8.791 6.622 ( -1.165 -0.352 -2.904) 3.149 6.692 ( -0.218 0.895 -1.291) 1.586 6.724 ( -2.508 -0.595 1.415) 2.941 6.820 ( -0.548 -0.218 -2.141) 2.221 7.096 ( 0.923 -7.471 -0.643) 7.555 7.191 ( -0.361 -2.345 -3.938) 4.598 7.254 ( -0.900 7.993 0.884) 8.092 7.280 ( 0.346 1.030 -4.339) 4.473 7.474 ( 0.141 4.668 -1.646) 4.951 7.542 ( 0.585 3.212 -3.921) 5.103 7.895 ( -1.446 4.692 18.926) 19.553 8.508 ( 1.269 9.472 -10.954) 14.537 8.621 ( -2.071 3.186 -3.111) 4.911 8.685 ( -1.233 4.670 -7.120) 8.604 13.539 ( -0.076 -3.304 2.849) 4.363 13.579 ( 0.436 -2.486 1.499) 2.936 15.114 ( -0.259 -1.499 1.269) 1.981 15.188 ( 0.018 -2.378 -2.231) 3.260 15.260 ( 0.303 2.215 4.723) 5.226 15.477 ( -0.248 0.080 4.852) 4.859 15.591 ( 0.852 0.662 -1.419) 1.783 15.684 ( -0.254 9.348 -15.155) 17.808 ======================= Grid point 288 (98/125) ======================= q-point: ( 0.67 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -0.000 4.666 2.811) 5.447 1.455 ( 0.000 -3.153 1.675) 3.570 1.486 ( -0.000 2.208 -3.622) 4.242 1.537 ( -0.000 0.192 2.712) 2.719 1.692 ( 0.000 -4.470 9.905) 10.867 1.821 ( 0.000 -7.378 6.766) 10.011 1.885 ( -0.000 0.474 -6.884) 6.901 1.957 ( -0.000 10.010 -8.715) 13.272 2.115 ( 0.000 -0.464 -3.873) 3.901 2.167 ( -0.000 1.301 1.284) 1.828 2.436 ( -0.000 8.260 -8.956) 12.183 2.452 ( -0.000 4.683 -18.388) 18.975 2.856 ( -0.000 11.066 12.926) 17.016 3.253 ( 0.000 -3.560 3.453) 4.960 3.339 ( -0.000 2.200 -0.915) 2.383 3.442 ( -0.000 13.113 -14.020) 19.197 3.720 ( 0.000 -15.197 15.164) 21.468 4.117 ( 0.000 -7.236 -3.062) 7.857 4.156 ( 0.000 -7.207 6.627) 9.790 4.215 ( 0.000 -1.571 4.333) 4.609 5.539 ( -0.000 0.177 1.163) 1.177 5.588 ( 0.000 -0.860 -1.530) 1.755 5.635 ( 0.000 -2.369 6.138) 6.579 5.652 ( 0.000 -3.179 2.115) 3.818 5.742 ( 0.000 -1.973 -1.195) 2.307 5.780 ( 0.000 -0.385 0.091) 0.395 5.974 ( 0.000 -9.013 4.573) 10.107 6.048 ( 0.000 -0.638 9.813) 9.834 6.060 ( 0.000 -11.321 1.740) 11.454 6.291 ( -0.000 4.225 4.111) 5.896 6.340 ( 0.000 -4.779 7.794) 9.143 6.603 ( 0.000 -6.840 -2.829) 7.402 6.622 ( -0.000 0.919 -5.474) 5.550 6.642 ( -0.000 3.345 -2.973) 4.475 6.748 ( 0.000 -2.675 1.614) 3.125 6.830 ( 0.000 -1.618 -1.806) 2.424 7.074 ( -0.000 10.867 3.384) 11.381 7.225 ( 0.000 -4.780 -1.984) 5.175 7.236 ( 0.000 -2.373 -3.014) 3.836 7.239 ( -0.000 4.357 -6.822) 8.095 7.395 ( -0.000 3.733 -1.039) 3.875 7.493 ( -0.000 1.921 -4.706) 5.083 7.836 ( -0.000 0.109 11.291) 11.292 8.315 ( -0.000 11.719 -10.205) 15.539 8.561 ( -0.000 2.743 -2.971) 4.044 8.621 ( -0.000 1.638 -4.984) 5.246 13.597 ( 0.000 -2.912 2.756) 4.009 13.625 ( 0.000 -2.301 1.756) 2.895 15.143 ( 0.000 -1.711 1.642) 2.371 15.208 ( -0.000 0.085 -1.136) 1.140 15.226 ( -0.000 1.349 2.155) 2.543 15.498 ( -0.000 10.155 -11.158) 15.087 15.499 ( 0.000 -2.553 2.768) 3.766 15.587 ( -0.000 0.617 -1.096) 1.257 ======================= Grid point 296 (99/125) ======================= q-point: ( 0.44 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 9.235 -0.000 4.678) 10.352 1.456 ( 2.730 -0.000 3.479) 4.422 1.500 ( -1.664 0.000 1.473) 2.223 1.604 ( -10.300 0.000 10.793) 14.919 1.627 ( 7.101 -0.000 -0.853) 7.152 1.781 ( -6.266 0.000 5.375) 8.255 1.857 ( -2.660 0.000 -0.461) 2.699 2.009 ( 0.885 -0.000 -2.968) 3.097 2.281 ( -3.135 0.000 -2.053) 3.747 2.578 ( 4.307 -0.000 -7.481) 8.632 2.600 ( -0.575 0.000 11.721) 11.735 2.965 ( -3.387 0.000 -1.937) 3.902 3.129 ( 5.710 -0.000 9.166) 10.799 3.176 ( 1.688 -0.000 15.247) 15.341 3.277 ( -5.644 0.000 5.512) 7.889 3.466 ( -0.633 0.000 -0.799) 1.020 3.621 ( 2.302 -0.000 4.709) 5.241 3.745 ( 0.764 -0.000 -12.776) 12.798 3.858 ( 2.471 -0.000 -16.628) 16.811 3.956 ( -0.252 0.000 -9.149) 9.153 5.346 ( 0.347 -0.000 4.204) 4.218 5.524 ( 0.066 -0.000 -4.656) 4.656 5.563 ( 0.274 -0.000 7.104) 7.109 5.593 ( -1.637 0.000 -1.957) 2.551 5.666 ( 1.002 -0.000 -0.292) 1.043 5.745 ( -0.580 0.000 1.358) 1.476 5.773 ( 0.146 -0.000 -0.504) 0.525 5.851 ( -0.821 0.000 15.730) 15.752 5.853 ( -0.142 0.000 -4.531) 4.533 6.219 ( 2.008 -0.000 1.762) 2.672 6.221 ( 0.996 -0.000 1.187) 1.550 6.421 ( 2.610 -0.000 -3.845) 4.647 6.631 ( -1.001 0.000 0.248) 1.032 6.683 ( 2.243 -0.000 1.818) 2.887 6.717 ( -2.420 0.000 1.239) 2.719 6.825 ( -0.232 0.000 -2.727) 2.736 6.931 ( -2.201 0.000 4.279) 4.812 7.136 ( -2.024 0.000 -5.031) 5.423 7.294 ( 0.035 -0.000 -1.045) 1.045 7.414 ( 0.021 -0.000 -1.765) 1.765 7.584 ( 1.200 -0.000 -2.566) 2.833 7.598 ( -0.702 0.000 -2.778) 2.866 8.009 ( -1.064 0.000 23.017) 23.041 8.666 ( 3.244 -0.000 -5.617) 6.487 8.719 ( -3.374 0.000 -7.891) 8.582 8.800 ( -1.354 0.000 -12.039) 12.115 13.469 ( -0.033 0.000 3.197) 3.197 13.527 ( 0.407 -0.000 1.318) 1.379 15.089 ( -0.070 0.000 -0.137) 0.153 15.106 ( -0.347 0.000 -0.868) 0.935 15.311 ( 0.498 -0.000 7.172) 7.190 15.503 ( -0.358 0.000 4.715) 4.729 15.595 ( -0.171 0.000 0.653) 0.675 15.885 ( 1.035 -0.000 -21.141) 21.167 ======================= Grid point 297 (100/125) ======================= q-point: ( 0.56 0.44 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.000 -1.064 2.674) 2.878 1.450 ( -0.000 1.340 3.785) 4.015 1.490 ( -0.000 0.278 1.264) 1.294 1.607 ( 0.000 -4.060 11.017) 11.741 1.629 ( -0.000 2.680 -1.794) 3.225 1.735 ( -0.000 2.236 10.382) 10.620 1.846 ( -0.000 0.054 -2.133) 2.134 2.027 ( 0.000 -1.462 -4.911) 5.124 2.205 ( -0.000 5.266 -2.763) 5.947 2.499 ( -0.000 9.927 11.117) 14.904 2.609 ( -0.000 0.521 -15.010) 15.019 2.912 ( -0.000 8.100 -7.962) 11.358 3.136 ( -0.000 3.697 16.102) 16.521 3.153 ( -0.000 3.441 8.468) 9.141 3.225 ( 0.000 -7.519 14.904) 16.693 3.436 ( -0.000 3.712 -4.545) 5.868 3.765 ( 0.000 -12.407 7.422) 14.458 3.809 ( -0.000 2.385 -15.062) 15.250 3.816 ( 0.000 -3.262 -12.903) 13.309 4.037 ( 0.000 -7.094 -5.329) 8.873 5.405 ( 0.000 -5.772 3.299) 6.648 5.554 ( 0.000 -2.446 -4.226) 4.883 5.572 ( 0.000 -0.959 6.814) 6.881 5.590 ( 0.000 -0.345 -0.317) 0.469 5.682 ( 0.000 -1.233 -1.313) 1.801 5.755 ( 0.000 -0.535 2.727) 2.779 5.775 ( 0.000 -2.485 0.999) 2.678 5.794 ( -0.000 2.171 3.653) 4.249 5.930 ( 0.000 -4.678 6.996) 8.416 6.227 ( 0.000 -1.627 2.521) 3.000 6.311 ( 0.000 -7.197 -1.136) 7.286 6.417 ( -0.000 1.583 -2.074) 2.609 6.619 ( -0.000 0.567 -0.721) 0.917 6.701 ( 0.000 -0.474 2.924) 2.962 6.706 ( -0.000 0.059 -0.728) 0.731 6.819 ( -0.000 0.274 -2.393) 2.409 6.974 ( 0.000 -5.296 2.679) 5.935 7.147 ( 0.000 -1.871 -4.829) 5.179 7.291 ( -0.000 0.339 -2.116) 2.143 7.371 ( -0.000 4.674 -1.236) 4.835 7.551 ( -0.000 3.451 -2.235) 4.112 7.587 ( -0.000 1.475 -3.414) 3.719 7.971 ( -0.000 3.592 22.779) 23.060 8.654 ( -0.000 5.562 -11.247) 12.547 8.661 ( -0.000 2.042 -2.588) 3.297 8.760 ( -0.000 3.665 -10.724) 11.333 13.488 ( 0.000 -2.086 3.120) 3.753 13.543 ( 0.000 -1.552 1.343) 2.052 15.092 ( 0.000 -0.719 0.523) 0.889 15.136 ( 0.000 -2.806 -1.627) 3.244 15.297 ( -0.000 1.574 6.614) 6.799 15.490 ( -0.000 1.092 4.918) 5.038 15.595 ( 0.000 -0.023 0.244) 0.245 15.831 ( -0.000 6.139 -19.857) 20.784 ======================= Grid point 340 (101/125) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( 0.000 0.000 -8.943) 8.943 1.131 ( 0.000 0.000 8.943) 8.943 1.542 ( 0.000 0.000 -12.348) 12.348 1.542 ( 0.000 0.000 12.348) 12.348 1.890 ( 0.000 0.000 -6.584) 6.584 1.890 ( 0.000 0.000 6.584) 6.584 2.329 ( 0.000 0.000 -8.734) 8.734 2.329 ( 0.000 0.000 8.734) 8.734 2.397 ( 0.000 0.000 -3.739) 3.739 2.397 ( 0.000 0.000 3.739) 3.739 2.892 ( 0.000 0.000 -10.613) 10.613 2.892 ( 0.000 0.000 10.613) 10.613 3.133 ( 0.000 0.000 -2.165) 2.165 3.133 ( 0.000 0.000 2.165) 2.165 3.369 ( 0.000 0.000 -17.439) 17.439 3.369 ( 0.000 0.000 17.439) 17.439 3.582 ( 0.000 0.000 -6.616) 6.616 3.582 ( 0.000 0.000 6.616) 6.616 3.586 ( 0.000 0.000 -1.518) 1.518 3.586 ( 0.000 0.000 1.518) 1.518 5.457 ( 0.000 0.000 -5.675) 5.675 5.457 ( 0.000 0.000 5.675) 5.675 5.686 ( 0.000 0.000 -6.672) 6.672 5.686 ( 0.000 0.000 6.672) 6.672 5.686 ( 0.000 0.000 -2.246) 2.246 5.686 ( 0.000 0.000 2.246) 2.246 5.767 ( 0.000 0.000 -1.897) 1.897 5.767 ( 0.000 0.000 1.897) 1.897 6.055 ( 0.000 0.000 -2.234) 2.234 6.055 ( 0.000 0.000 2.234) 2.234 6.122 ( 0.000 0.000 -8.819) 8.819 6.122 ( 0.000 0.000 8.819) 8.819 6.724 ( 0.000 0.000 -3.235) 3.235 6.724 ( 0.000 0.000 3.235) 3.235 6.850 ( 0.000 0.000 -0.670) 0.670 6.850 ( 0.000 0.000 0.670) 0.670 7.068 ( 0.000 0.000 -1.600) 1.600 7.068 ( 0.000 0.000 1.600) 1.600 7.396 ( 0.000 0.000 -1.230) 1.230 7.396 ( 0.000 0.000 1.230) 1.230 7.630 ( 0.000 0.000 -5.339) 5.339 7.630 ( 0.000 0.000 5.339) 5.339 8.256 ( 0.000 0.000 -11.618) 11.618 8.256 ( 0.000 0.000 11.618) 11.618 8.930 ( 0.000 0.000 -2.642) 2.642 8.930 ( 0.000 0.000 2.642) 2.642 13.487 ( 0.000 0.000 -0.171) 0.171 13.487 ( 0.000 0.000 0.171) 0.171 15.121 ( 0.000 0.000 -1.712) 1.712 15.121 ( 0.000 0.000 1.712) 1.712 15.386 ( 0.000 0.000 -7.865) 7.865 15.386 ( 0.000 0.000 7.865) 7.865 15.669 ( 0.000 0.000 -6.298) 6.298 15.669 ( 0.000 0.000 6.298) 6.298 ======================= Grid point 342 (102/125) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 2.137 -0.002 -7.994) 8.275 1.137 ( 2.137 -0.002 7.994) 8.275 1.534 ( 1.162 1.273 -13.154) 13.266 1.534 ( 1.162 1.273 13.154) 13.266 1.939 ( -1.356 -5.513 -6.402) 8.557 1.939 ( -1.356 -5.513 6.402) 8.557 2.241 ( -4.058 6.825 -9.142) 12.109 2.241 ( -4.058 6.825 9.142) 12.109 2.381 ( -1.136 2.210 -3.125) 3.993 2.381 ( -1.136 2.210 3.125) 3.993 2.855 ( 0.863 6.698 -10.970) 12.882 2.855 ( 0.863 6.698 10.970) 12.882 3.081 ( -2.104 3.875 -9.238) 10.237 3.081 ( -2.104 3.875 9.238) 10.237 3.150 ( 5.495 13.692 -4.564) 15.444 3.150 ( 5.495 13.692 4.564) 15.444 3.698 ( -2.562 -11.370 -1.908) 11.810 3.698 ( -2.562 -11.370 1.908) 11.810 3.811 ( 3.103 -14.365 -4.616) 15.405 3.811 ( 3.103 -14.365 4.616) 15.405 5.522 ( -0.710 -6.701 -5.258) 8.547 5.522 ( -0.710 -6.701 5.258) 8.547 5.672 ( -1.281 0.643 -2.462) 2.849 5.672 ( -1.281 0.643 2.462) 2.849 5.701 ( 1.320 -0.805 -6.136) 6.328 5.701 ( 1.320 -0.805 6.136) 6.328 5.793 ( -0.180 -3.250 -1.618) 3.635 5.793 ( -0.180 -3.250 1.618) 3.635 6.070 ( 1.470 -1.126 -2.256) 2.919 6.070 ( 1.470 -1.126 2.256) 2.919 6.142 ( 0.807 -1.923 -8.463) 8.716 6.142 ( 0.807 -1.923 8.463) 8.716 6.718 ( -0.247 0.554 -3.249) 3.305 6.718 ( -0.247 0.554 3.249) 3.305 6.845 ( -1.779 -0.237 -1.228) 2.175 6.845 ( -1.779 -0.237 1.228) 2.175 7.081 ( 1.117 -0.771 -2.457) 2.807 7.081 ( 1.117 -0.771 2.457) 2.807 7.372 ( -0.534 2.381 -1.003) 2.638 7.372 ( -0.534 2.381 1.003) 2.638 7.594 ( -1.237 3.319 -5.199) 6.291 7.594 ( -1.237 3.319 5.199) 6.291 8.231 ( 1.529 3.303 -11.574) 12.133 8.231 ( 1.529 3.303 11.574) 12.133 8.889 ( -2.223 3.566 -2.621) 4.953 8.889 ( -2.223 3.566 2.621) 4.953 13.508 ( 0.365 -2.054 -0.353) 2.116 13.508 ( 0.365 -2.054 0.353) 2.116 15.132 ( -0.338 -1.327 -1.079) 1.744 15.132 ( -0.338 -1.327 1.079) 1.744 15.370 ( 1.072 2.182 -7.539) 7.921 15.370 ( 1.072 2.182 7.539) 7.921 15.654 ( -0.589 1.366 -6.051) 6.231 15.654 ( -0.589 1.366 6.051) 6.231 ======================= Grid point 344 (103/125) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 3.470 -0.982 -6.053) 7.046 1.164 ( 3.470 -0.982 6.053) 7.046 1.519 ( 2.240 1.388 -14.522) 14.759 1.519 ( 2.240 1.388 14.522) 14.759 2.008 ( -5.568 2.167 -5.575) 8.172 2.008 ( -5.568 2.167 5.575) 8.172 2.104 ( 0.225 0.540 -6.015) 6.044 2.104 ( 0.225 0.540 6.015) 6.044 2.311 ( -6.393 1.767 -4.507) 8.019 2.311 ( -6.393 1.767 4.507) 8.019 2.640 ( -5.725 13.947 -5.605) 16.085 2.640 ( -5.725 13.947 5.605) 16.085 2.896 ( 10.028 12.889 -3.381) 16.677 2.896 ( 10.028 12.889 3.381) 16.677 3.162 ( 4.658 -3.583 -10.675) 12.186 3.162 ( 4.658 -3.583 10.675) 12.186 3.897 ( -3.582 -12.326 -3.495) 13.303 3.897 ( -3.582 -12.326 3.495) 13.303 4.060 ( 2.697 -10.714 -3.764) 11.672 4.060 ( 2.697 -10.714 3.764) 11.672 5.618 ( -2.964 -2.288 -2.644) 4.584 5.618 ( -2.964 -2.288 2.644) 4.584 5.665 ( 0.262 -2.087 -1.552) 2.614 5.665 ( 0.262 -2.087 1.552) 2.614 5.733 ( 0.530 -1.859 -6.398) 6.683 5.733 ( 0.530 -1.859 6.398) 6.683 5.901 ( 0.014 -9.159 -1.854) 9.345 5.901 ( 0.014 -9.159 1.854) 9.345 6.110 ( 2.148 -1.899 -2.341) 3.702 6.110 ( 2.148 -1.899 2.341) 3.702 6.202 ( 2.530 -3.545 -7.232) 8.442 6.202 ( 2.530 -3.545 7.232) 8.442 6.702 ( -0.969 0.765 -3.141) 3.375 6.702 ( -0.969 0.765 3.141) 3.375 6.841 ( -1.324 -0.476 -1.722) 2.224 6.841 ( -1.324 -0.476 1.722) 2.224 7.100 ( 1.051 -0.286 -3.204) 3.384 7.100 ( 1.051 -0.286 3.204) 3.384 7.309 ( -0.979 3.757 -0.587) 3.927 7.309 ( -0.979 3.757 0.587) 3.927 7.509 ( -1.704 4.555 -4.590) 6.687 7.509 ( -1.704 4.555 4.590) 6.687 8.159 ( 2.134 5.957 -11.205) 12.868 8.159 ( 2.134 5.957 11.205) 12.868 8.784 ( -3.623 5.595 -2.575) 7.145 8.784 ( -3.623 5.595 2.575) 7.145 13.560 ( 0.510 -3.309 -0.468) 3.381 13.560 ( 0.510 -3.309 0.468) 3.381 15.158 ( -0.425 -1.653 -0.995) 1.976 15.158 ( -0.425 -1.653 0.995) 1.976 15.326 ( 1.651 3.586 -6.507) 7.611 15.326 ( 1.651 3.586 6.507) 7.611 15.619 ( -1.018 1.704 -5.300) 5.659 15.619 ( -1.018 1.704 5.300) 5.659 ======================= Grid point 346 (104/125) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 3.836 -1.989 -3.821) 5.768 1.216 ( 3.836 -1.989 3.821) 5.768 1.525 ( 2.721 -0.589 -13.164) 13.455 1.525 ( 2.721 -0.589 13.164) 13.455 1.837 ( -3.385 8.970 -4.993) 10.810 1.837 ( -3.385 8.970 4.993) 10.810 2.122 ( -2.070 1.942 -3.505) 4.510 2.122 ( -2.070 1.942 3.505) 4.510 2.279 ( -9.481 1.424 -4.289) 10.503 2.279 ( -9.481 1.424 4.289) 10.503 2.384 ( -5.005 2.660 -11.242) 12.590 2.384 ( -5.005 2.660 11.242) 12.590 2.761 ( 12.374 11.106 -7.781) 18.358 2.761 ( 12.374 11.106 7.781) 18.358 3.261 ( 4.129 -3.569 -5.277) 7.592 3.261 ( 4.129 -3.569 5.277) 7.592 4.078 ( -3.298 -10.030 -5.233) 11.784 4.078 ( -3.298 -10.030 5.233) 11.784 4.217 ( 1.596 -5.096 -1.345) 5.506 4.217 ( 1.596 -5.096 1.345) 5.506 5.600 ( -1.570 0.990 -1.633) 2.473 5.600 ( -1.570 0.990 1.633) 2.473 5.718 ( -0.360 -2.747 -1.369) 3.090 5.718 ( -0.360 -2.747 1.369) 3.090 5.763 ( -0.678 -1.494 -3.569) 3.928 5.763 ( -0.678 -1.494 3.569) 3.928 6.066 ( -0.886 -6.214 -2.454) 6.739 6.066 ( -0.886 -6.214 2.454) 6.739 6.188 ( 2.052 -6.749 -2.936) 7.641 6.188 ( 2.052 -6.749 2.936) 7.641 6.300 ( 4.859 -4.648 -6.247) 9.178 6.300 ( 4.859 -4.648 6.247) 9.178 6.676 ( -1.777 1.253 -2.643) 3.422 6.676 ( -1.777 1.253 2.643) 3.422 6.844 ( -0.955 -0.660 -1.801) 2.143 6.844 ( -0.955 -0.660 1.801) 2.143 7.089 ( 1.349 3.346 -3.695) 5.164 7.089 ( 1.349 3.346 3.695) 5.164 7.244 ( -1.282 1.655 -1.088) 2.359 7.244 ( -1.282 1.655 1.088) 2.359 7.429 ( -1.178 2.864 -3.119) 4.395 7.429 ( -1.178 2.864 3.119) 4.395 8.054 ( 1.532 6.722 -9.472) 11.715 8.054 ( 1.532 6.722 9.472) 11.715 8.660 ( -3.474 5.160 -2.203) 6.600 8.660 ( -3.474 5.160 2.203) 6.600 13.624 ( 0.410 -3.123 -0.388) 3.174 13.624 ( 0.410 -3.123 0.388) 3.174 15.181 ( -0.248 -1.043 -1.507) 1.850 15.181 ( -0.248 -1.043 1.507) 1.850 15.270 ( 1.384 3.509 -4.536) 5.899 15.270 ( 1.384 3.509 4.536) 5.899 15.587 ( -0.966 1.005 -3.848) 4.092 15.587 ( -0.966 1.005 3.848) 4.092 ======================= Grid point 348 (105/125) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 2.219 -1.316 -1.205) 2.847 1.271 ( 2.219 -1.316 1.205) 2.847 1.580 ( 1.213 -3.865 -5.839) 7.106 1.580 ( 1.213 -3.865 5.839) 7.106 1.681 ( -0.966 6.546 -2.209) 6.976 1.681 ( -0.966 6.546 2.209) 6.976 2.043 ( -2.336 3.893 -0.391) 4.557 2.043 ( -2.336 3.893 0.391) 4.557 2.126 ( -3.087 3.338 -0.597) 4.585 2.126 ( -3.087 3.338 0.597) 4.585 2.477 ( -7.172 -9.480 -9.809) 15.412 2.477 ( -7.172 -9.480 9.809) 15.412 2.647 ( 9.805 9.525 -8.364) 16.025 2.647 ( 9.805 9.525 8.364) 16.025 3.328 ( 1.679 -1.412 -1.523) 2.671 3.328 ( 1.679 -1.412 1.523) 2.671 4.204 ( -2.063 -5.717 -4.147) 7.358 4.204 ( -2.063 -5.717 4.147) 7.358 4.264 ( 1.149 0.559 -1.547) 2.006 4.264 ( 1.149 0.559 1.547) 2.006 5.578 ( -0.530 0.482 -0.600) 0.935 5.578 ( -0.530 0.482 0.600) 0.935 5.752 ( -0.192 -1.067 -0.561) 1.221 5.752 ( -0.192 -1.067 0.561) 1.221 5.778 ( -0.389 -0.624 -1.071) 1.299 5.778 ( -0.389 -0.624 1.071) 1.299 6.109 ( -0.287 -0.719 -1.482) 1.672 6.109 ( -0.287 -0.719 1.482) 1.672 6.317 ( 0.598 -4.085 -1.463) 4.380 6.317 ( 0.598 -4.085 1.463) 4.380 6.421 ( 3.210 -4.223 -4.137) 6.727 6.421 ( 3.210 -4.223 4.137) 6.727 6.644 ( -1.063 0.632 -0.824) 1.486 6.644 ( -1.063 0.632 0.824) 1.486 6.855 ( -1.412 -1.638 -2.417) 3.243 6.855 ( -1.412 -1.638 2.417) 3.243 6.992 ( 0.655 6.112 -4.346) 7.528 6.992 ( 0.655 6.112 4.346) 7.528 7.247 ( -0.151 -1.187 -0.866) 1.477 7.247 ( -0.151 -1.187 0.866) 1.477 7.395 ( -0.256 0.597 -1.120) 1.295 7.395 ( -0.256 0.597 1.120) 1.295 7.961 ( 0.411 3.410 -4.184) 5.414 7.961 ( 0.411 3.410 4.184) 5.414 8.574 ( -1.457 2.120 -0.934) 2.736 8.574 ( -1.457 2.120 0.934) 2.736 13.667 ( 0.154 -1.304 -0.151) 1.321 13.667 ( 0.154 -1.304 0.151) 1.321 15.192 ( -0.045 -0.394 -0.733) 0.833 15.192 ( -0.045 -0.394 0.733) 0.833 15.228 ( 0.497 1.597 -1.678) 2.369 15.228 ( 0.497 1.597 1.678) 2.369 15.572 ( -0.388 0.250 -1.435) 1.508 15.572 ( -0.388 0.250 1.435) 1.508 ======================= Grid point 360 (106/125) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 4.325 -0.000 -8.576) 9.605 1.161 ( 4.325 -0.000 8.576) 9.605 1.556 ( 1.903 -0.000 -11.056) 11.219 1.556 ( 1.903 -0.000 11.056) 11.219 1.877 ( -1.757 0.000 -5.884) 6.141 1.877 ( -1.757 0.000 5.884) 6.141 2.241 ( -10.757 0.000 -4.210) 11.552 2.241 ( -10.757 0.000 4.210) 11.552 2.418 ( 1.337 -0.000 -0.410) 1.399 2.418 ( 1.337 -0.000 0.410) 1.399 2.935 ( 4.881 -0.000 -4.407) 6.576 2.935 ( 4.881 -0.000 4.407) 6.576 3.110 ( -2.801 0.000 -4.048) 4.923 3.110 ( -2.801 0.000 4.048) 4.923 3.360 ( 0.134 -0.000 -12.952) 12.953 3.360 ( 0.134 -0.000 12.952) 12.953 3.585 ( -0.221 0.000 -1.747) 1.761 3.585 ( -0.221 0.000 1.747) 1.761 3.632 ( 6.033 -0.000 -8.117) 10.114 3.632 ( 6.033 -0.000 8.117) 10.114 5.452 ( -0.648 0.000 -5.491) 5.529 5.452 ( -0.648 0.000 5.491) 5.529 5.664 ( -1.870 0.000 -3.225) 3.728 5.664 ( -1.870 0.000 3.225) 3.728 5.706 ( 1.441 -0.000 -5.364) 5.554 5.706 ( 1.441 -0.000 5.364) 5.554 5.765 ( -0.282 0.000 -1.671) 1.694 5.765 ( -0.282 0.000 1.671) 1.694 6.075 ( 3.055 -0.000 -2.053) 3.681 6.075 ( 3.055 -0.000 2.053) 3.681 6.130 ( 1.217 -0.000 -9.474) 9.552 6.130 ( 1.217 -0.000 9.474) 9.552 6.722 ( -0.517 0.000 -3.240) 3.281 6.722 ( -0.517 0.000 3.240) 3.281 6.823 ( -3.354 0.000 -0.907) 3.475 6.823 ( -3.354 0.000 0.907) 3.475 7.084 ( 1.735 -0.000 -2.181) 2.787 7.084 ( 1.735 -0.000 2.181) 2.787 7.389 ( -1.089 0.000 -1.589) 1.926 7.389 ( -1.089 0.000 1.589) 1.926 7.614 ( -2.165 0.000 -4.707) 5.181 7.614 ( -2.165 0.000 4.707) 5.181 8.277 ( 2.972 -0.000 -12.024) 12.386 8.277 ( 2.972 -0.000 12.024) 12.386 8.900 ( -4.377 0.000 -2.229) 4.912 8.900 ( -4.377 0.000 2.229) 4.912 13.492 ( 0.721 -0.000 -0.102) 0.729 13.492 ( 0.721 -0.000 0.102) 0.729 15.116 ( -0.644 0.000 -1.485) 1.618 15.116 ( -0.644 0.000 1.485) 1.618 15.401 ( 2.083 -0.000 -8.327) 8.583 15.401 ( 2.083 -0.000 8.327) 8.583 15.662 ( -1.141 0.000 -6.221) 6.325 15.662 ( -1.141 0.000 6.221) 6.325 ======================= Grid point 362 (107/125) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 5.748 0.302 -7.273) 9.275 1.190 ( 5.748 0.302 7.273) 9.275 1.559 ( 2.317 1.101 -10.605) 10.911 1.559 ( 2.317 1.101 10.605) 10.911 1.911 ( -2.493 -4.645 -4.805) 7.133 1.911 ( -2.493 -4.645 4.805) 7.133 2.138 ( -10.780 2.901 -3.650) 11.745 2.138 ( -10.780 2.901 3.650) 11.745 2.367 ( -0.894 5.601 -5.250) 7.729 2.367 ( -0.894 5.601 5.250) 7.729 2.846 ( -3.037 11.282 -7.970) 14.143 2.846 ( -3.037 11.282 7.970) 14.143 3.094 ( 4.507 0.988 -12.046) 12.900 3.094 ( 4.507 0.988 12.046) 12.900 3.239 ( 7.727 9.764 -7.317) 14.442 3.239 ( 7.727 9.764 7.317) 14.442 3.656 ( -3.360 -10.333 -3.272) 11.348 3.656 ( -3.360 -10.333 3.272) 11.348 3.861 ( 3.853 -13.259 -4.038) 14.386 3.861 ( 3.853 -13.259 4.038) 14.386 5.507 ( -1.438 -5.834 -4.888) 7.746 5.507 ( -1.438 -5.834 4.888) 7.746 5.652 ( -1.652 -0.102 -2.116) 2.687 5.652 ( -1.652 -0.102 2.116) 2.687 5.719 ( 1.246 -0.505 -5.740) 5.896 5.719 ( 1.246 -0.505 5.740) 5.896 5.789 ( -0.387 -3.308 -1.457) 3.635 5.789 ( -0.387 -3.308 1.457) 3.635 6.108 ( 4.207 -0.887 -1.998) 4.741 6.108 ( 4.207 -0.887 1.998) 4.741 6.161 ( 1.979 -2.350 -9.438) 9.925 6.161 ( 1.979 -2.350 9.438) 9.925 6.709 ( -1.250 0.652 -2.944) 3.264 6.709 ( -1.250 0.652 2.944) 3.264 6.812 ( -2.626 -0.981 -1.248) 3.068 6.812 ( -2.626 -0.981 1.248) 3.068 7.099 ( 0.996 -0.495 -3.140) 3.331 7.099 ( 0.996 -0.495 3.140) 3.331 7.357 ( -1.692 2.380 -1.667) 3.363 7.357 ( -1.692 2.380 1.667) 3.363 7.570 ( -2.025 3.108 -3.966) 5.430 7.570 ( -2.025 3.108 3.966) 5.430 8.266 ( 3.488 3.618 -12.415) 13.393 8.266 ( 3.488 3.618 12.415) 13.393 8.836 ( -5.690 3.303 -1.923) 6.854 8.836 ( -5.690 3.303 1.923) 6.854 13.516 ( 0.844 -1.974 -0.294) 2.167 13.516 ( 0.844 -1.974 0.294) 2.167 15.125 ( -0.685 -1.414 -0.929) 1.825 15.125 ( -0.685 -1.414 0.929) 1.825 15.395 ( 2.651 2.329 -8.386) 9.098 15.395 ( 2.651 2.329 8.386) 9.098 15.640 ( -1.593 1.339 -5.801) 6.163 15.640 ( -1.593 1.339 5.801) 6.163 ======================= Grid point 364 (108/125) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 6.415 -0.344 -4.952) 8.111 1.230 ( 6.415 -0.344 4.952) 8.111 1.553 ( 2.471 1.244 -10.955) 11.299 1.553 ( 2.471 1.244 10.955) 11.299 1.932 ( -5.848 3.238 -5.251) 8.500 1.932 ( -5.848 3.238 5.251) 8.500 2.062 ( -6.531 -4.162 -2.795) 8.233 2.062 ( -6.531 -4.162 2.795) 8.233 2.240 ( -3.480 5.612 -6.155) 9.027 2.240 ( -3.480 5.612 6.155) 9.027 2.569 ( -5.014 14.923 -8.863) 18.067 2.569 ( -5.014 14.923 8.863) 18.067 3.034 ( 10.671 9.714 -4.911) 15.243 3.034 ( 10.671 9.714 4.911) 15.243 3.239 ( 6.390 -1.868 -6.462) 9.278 3.239 ( 6.390 -1.868 6.462) 9.278 3.845 ( -4.219 -12.529 -6.252) 14.624 3.845 ( -4.219 -12.529 6.252) 14.624 4.092 ( 1.975 -9.898 -3.119) 10.564 4.092 ( 1.975 -9.898 3.119) 10.564 5.580 ( -2.634 -2.452 -2.694) 4.495 5.580 ( -2.634 -2.452 2.694) 4.495 5.662 ( -0.630 -2.348 -1.774) 3.009 5.662 ( -0.630 -2.348 1.774) 3.009 5.737 ( 0.048 -0.925 -5.059) 5.143 5.737 ( 0.048 -0.925 5.059) 5.143 5.897 ( -0.587 -9.021 -1.234) 9.124 5.897 ( -0.587 -9.021 1.234) 9.124 6.157 ( 4.787 -1.231 -3.349) 5.971 6.157 ( 4.787 -1.231 3.349) 5.971 6.242 ( 3.478 -4.641 -7.773) 9.699 6.242 ( 3.478 -4.641 7.773) 9.699 6.687 ( -1.322 0.920 -2.613) 3.070 6.687 ( -1.322 0.920 2.613) 3.070 6.818 ( -2.170 -1.126 -1.890) 3.090 6.818 ( -2.170 -1.126 1.890) 3.090 7.113 ( 0.741 -0.546 -3.501) 3.620 7.113 ( 0.741 -0.546 3.501) 3.620 7.289 ( -1.992 3.621 -1.015) 4.255 7.289 ( -1.991 3.621 1.015) 4.255 7.489 ( -1.159 4.339 -2.907) 5.350 7.489 ( -1.159 4.339 2.907) 5.350 8.193 ( 2.754 6.700 -12.517) 14.462 8.193 ( 2.754 6.700 12.517) 14.462 8.721 ( -5.641 4.816 -1.682) 7.606 8.721 ( -5.641 4.816 1.682) 7.606 13.569 ( 0.702 -3.149 -0.256) 3.236 13.569 ( 0.702 -3.149 0.256) 3.236 15.152 ( -0.430 -1.821 -1.352) 2.308 15.152 ( -0.430 -1.821 1.352) 2.308 15.354 ( 2.465 4.058 -7.577) 8.942 15.354 ( 2.465 4.058 7.577) 8.942 15.601 ( -1.702 1.476 -4.791) 5.294 15.601 ( -1.702 1.476 4.791) 5.294 ======================= Grid point 366 (109/125) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 6.187 -0.626 -2.083) 6.558 1.283 ( 6.187 -0.626 2.083) 6.558 1.552 ( 0.967 -0.083 -8.436) 8.492 1.552 ( 0.967 -0.083 8.436) 8.492 1.794 ( -2.614 6.625 -5.572) 9.043 1.794 ( -2.614 6.625 5.572) 9.043 2.079 ( -5.463 1.231 -5.368) 7.758 2.079 ( -5.463 1.231 5.369) 7.758 2.163 ( -6.515 0.738 -6.025) 8.904 2.163 ( -6.515 0.738 6.025) 8.904 2.327 ( -3.638 4.412 -9.820) 11.364 2.327 ( -3.638 4.412 9.820) 11.364 2.925 ( 12.288 11.097 -9.664) 19.171 2.925 ( 12.288 11.097 9.664) 19.171 3.309 ( 2.701 -2.002 -2.503) 4.192 3.309 ( 2.701 -2.002 2.503) 4.192 4.033 ( -3.373 -10.874 -7.300) 13.525 4.033 ( -3.373 -10.874 7.300) 13.525 4.234 ( 0.874 -4.787 -1.044) 4.977 4.234 ( 0.874 -4.787 1.044) 4.977 5.579 ( -1.391 0.134 -0.971) 1.702 5.579 ( -1.391 0.134 0.971) 1.702 5.710 ( -0.828 -2.915 -1.835) 3.543 5.710 ( -0.828 -2.915 1.835) 3.543 5.753 ( -0.746 -1.277 -3.525) 3.823 5.753 ( -0.746 -1.277 3.525) 3.823 6.056 ( -0.557 -7.120 -2.133) 7.453 6.056 ( -0.557 -7.120 2.133) 7.453 6.224 ( 3.043 -3.749 -4.034) 6.292 6.224 ( 3.043 -3.749 4.034) 6.292 6.364 ( 4.987 -5.445 -7.079) 10.229 6.364 ( 4.987 -5.445 7.079) 10.229 6.657 ( -1.332 1.328 -1.740) 2.562 6.657 ( -1.332 1.328 1.740) 2.562 6.819 ( -2.587 -0.952 -2.249) 3.558 6.819 ( -2.587 -0.952 2.249) 3.558 7.109 ( 1.597 3.928 -3.844) 5.724 7.109 ( 1.597 3.928 3.844) 5.724 7.224 ( -1.573 0.459 -0.949) 1.893 7.224 ( -1.573 0.459 0.949) 1.893 7.418 ( -0.436 2.520 -1.467) 2.949 7.418 ( -0.436 2.520 1.467) 2.949 8.072 ( 1.148 7.637 -10.901) 13.359 8.072 ( 1.148 7.637 10.901) 13.359 8.609 ( -3.913 3.638 -0.942) 5.426 8.609 ( -3.913 3.638 0.942) 5.426 13.629 ( 0.416 -2.924 -0.187) 2.959 13.629 ( 0.416 -2.924 0.187) 2.959 15.178 ( -0.126 -1.184 -1.604) 1.998 15.178 ( -0.126 -1.184 1.604) 1.998 15.289 ( 1.523 4.243 -5.473) 7.090 15.289 ( 1.523 4.243 5.473) 7.090 15.573 ( -1.186 0.510 -3.235) 3.483 15.573 ( -1.186 0.510 3.235) 3.483 ======================= Grid point 368 (110/125) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 2.527 2.104 -1.988) 3.842 1.305 ( 2.527 2.104 1.988) 3.842 1.582 ( -0.364 -3.350 -2.287) 4.072 1.582 ( -0.364 -3.350 2.287) 4.072 1.677 ( 0.232 5.956 -1.217) 6.084 1.677 ( 0.232 5.956 1.217) 6.084 2.005 ( -3.555 0.256 -4.304) 5.588 2.005 ( -3.555 0.256 4.304) 5.588 2.115 ( 1.353 0.031 -3.511) 3.763 2.115 ( 1.353 0.031 3.511) 3.763 2.364 ( -8.638 -8.289 -9.503) 15.284 2.364 ( -8.638 -8.289 9.503) 15.284 2.789 ( 10.455 12.366 -11.888) 20.089 2.789 ( 10.455 12.366 11.888) 20.089 3.334 ( -0.779 0.104 -0.159) 0.802 3.334 ( -0.779 0.104 0.159) 0.802 4.178 ( -1.831 -6.812 -5.426) 8.899 4.178 ( -1.831 -6.812 5.426) 8.899 4.278 ( 0.901 0.319 -1.618) 1.879 4.278 ( 0.901 0.319 1.618) 1.879 5.573 ( -0.251 -0.192 -0.751) 0.814 5.573 ( -0.251 -0.192 0.751) 0.814 5.746 ( -0.598 -1.500 -1.128) 1.970 5.746 ( -0.598 -1.500 1.128) 1.970 5.772 ( -0.528 -1.108 -1.962) 2.314 5.772 ( -0.528 -1.108 1.962) 2.314 6.125 ( 2.651 -0.665 -0.930) 2.887 6.125 ( 2.651 -0.665 0.930) 2.887 6.299 ( -3.171 -3.127 -1.751) 4.785 6.299 ( -3.171 -3.127 1.751) 4.785 6.462 ( 3.136 -0.456 -3.562) 4.768 6.462 ( 3.136 -0.456 3.562) 4.768 6.642 ( 0.083 -0.715 -2.556) 2.656 6.642 ( 0.083 -0.715 2.556) 2.656 6.840 ( -0.529 -3.351 -2.969) 4.509 6.840 ( -0.529 -3.351 2.969) 4.509 6.994 ( -0.402 6.770 -4.648) 8.221 6.994 ( -0.402 6.770 4.648) 8.221 7.248 ( 0.263 -1.409 -0.602) 1.554 7.248 ( 0.263 -1.409 0.602) 1.554 7.393 ( -0.169 0.341 -1.699) 1.741 7.393 ( -0.169 0.341 1.699) 1.741 7.964 ( -0.040 3.875 -5.302) 6.567 7.964 ( -0.040 3.875 5.302) 6.567 8.556 ( -1.144 0.127 -0.996) 1.522 8.556 ( -1.144 0.127 0.996) 1.522 13.669 ( 0.109 -1.098 -0.294) 1.142 13.669 ( 0.109 -1.098 0.294) 1.142 15.192 ( -0.026 -0.422 -0.618) 0.749 15.192 ( -0.026 -0.422 0.618) 0.749 15.234 ( 0.474 2.294 -2.326) 3.301 15.234 ( 0.474 2.294 2.326) 3.301 15.567 ( -0.375 -0.321 -0.821) 0.958 15.567 ( -0.375 -0.321 0.821) 0.958 ======================= Grid point 370 (111/125) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -0.735 3.629 -3.719) 5.248 1.252 ( -0.735 3.629 3.719) 5.248 1.549 ( -2.766 4.050 -9.337) 10.547 1.549 ( -2.766 4.050 9.337) 10.547 1.705 ( 2.202 -6.892 -3.690) 8.122 1.705 ( 2.202 -6.892 3.690) 8.122 2.062 ( 0.500 -5.603 -4.182) 7.009 2.062 ( 0.500 -5.603 4.182) 7.009 2.193 ( 6.859 -6.319 -2.724) 9.716 2.193 ( 6.859 -6.319 2.724) 9.716 2.451 ( -9.435 -7.121 -6.790) 13.632 2.451 ( -9.435 -7.121 6.790) 13.632 2.629 ( 5.060 10.030 -11.397) 16.003 2.629 ( 5.060 10.030 11.397) 16.003 3.297 ( -2.504 2.605 -3.049) 4.728 3.297 ( -2.504 2.605 3.049) 4.728 4.227 ( 1.277 3.400 -1.929) 4.112 4.227 ( 1.277 3.400 1.929) 4.112 4.251 ( -0.786 0.727 -0.320) 1.118 4.251 ( -0.786 0.727 0.320) 1.118 5.585 ( 0.501 -1.096 -1.713) 2.094 5.585 ( 0.501 -1.096 1.713) 2.094 5.751 ( -0.238 0.742 -0.751) 1.082 5.751 ( -0.238 0.742 0.751) 1.082 5.782 ( 0.147 -0.049 -0.708) 0.725 5.782 ( 0.147 -0.049 0.708) 0.725 6.132 ( 2.958 1.961 -2.481) 4.330 6.132 ( 2.958 1.961 2.481) 4.330 6.285 ( -3.939 1.508 -1.198) 4.384 6.285 ( -3.939 1.508 1.198) 4.384 6.385 ( -1.870 8.542 -2.050) 8.981 6.385 ( -1.870 8.542 2.050) 8.981 6.671 ( 2.467 -1.048 -2.850) 3.912 6.671 ( 2.467 -1.048 2.850) 3.912 6.869 ( 0.504 2.229 -2.137) 3.129 6.869 ( 0.504 2.229 2.137) 3.129 6.979 ( -1.093 -6.666 -4.516) 8.125 6.979 ( -1.093 -6.666 4.516) 8.125 7.250 ( 0.351 0.862 -0.938) 1.321 7.250 ( 0.351 0.862 0.938) 1.321 7.399 ( 0.323 -1.149 -3.345) 3.551 7.399 ( 0.323 -1.149 3.345) 3.551 7.955 ( -0.537 -2.898 -3.031) 4.228 7.955 ( -0.537 -2.898 3.031) 4.228 8.591 ( 1.027 -3.837 -2.440) 4.662 8.591 ( 1.027 -3.837 2.440) 4.662 13.666 ( -0.117 1.491 -0.546) 1.592 13.666 ( -0.117 1.491 0.546) 1.592 15.193 ( 0.063 0.268 -0.919) 0.959 15.193 ( 0.063 0.268 0.919) 0.959 15.222 ( -0.328 -0.896 -1.111) 1.464 15.222 ( -0.328 -0.896 1.111) 1.464 15.576 ( 0.235 -0.739 -1.971) 2.118 15.576 ( 0.235 -0.739 1.971) 2.118 ======================= Grid point 372 (112/125) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -1.143 2.921 -5.234) 6.102 1.184 ( -1.143 2.921 5.234) 6.102 1.494 ( -1.472 0.433 -15.710) 15.785 1.494 ( -1.472 0.433 15.710) 15.785 1.872 ( 1.548 -10.091 -4.661) 11.223 1.872 ( 1.548 -10.091 4.661) 11.223 2.139 ( 0.624 -1.078 -3.359) 3.582 2.139 ( 0.624 -1.078 3.359) 3.582 2.376 ( 3.962 0.000 -4.743) 6.180 2.376 ( 3.962 0.000 4.743) 6.180 2.468 ( 8.343 -6.030 -7.976) 13.022 2.468 ( 8.343 -6.030 7.976) 13.022 2.607 ( -10.942 -9.625 -5.659) 15.633 2.607 ( -10.942 -9.625 5.659) 15.633 3.217 ( -2.059 4.338 -7.103) 8.574 3.217 ( -2.059 4.338 7.103) 8.574 4.113 ( 1.749 9.321 -3.874) 10.244 4.113 ( 1.749 9.321 3.874) 10.244 4.197 ( -1.202 5.628 -1.958) 6.079 4.197 ( -1.202 5.628 1.958) 6.079 5.616 ( 0.742 -1.725 -2.332) 2.994 5.616 ( 0.742 -1.725 2.332) 2.994 5.720 ( 0.008 2.513 -1.330) 2.843 5.720 ( 0.008 2.513 1.330) 2.843 5.770 ( 0.270 1.720 -3.846) 4.222 5.770 ( 0.270 1.720 3.846) 4.222 6.075 ( 0.395 7.214 -3.332) 7.956 6.075 ( 0.395 7.214 3.332) 7.956 6.178 ( 0.437 8.133 -3.728) 8.957 6.178 ( 0.437 8.133 3.728) 8.957 6.243 ( -3.182 2.903 -4.916) 6.537 6.243 ( -3.182 2.903 4.916) 6.537 6.698 ( 1.249 -0.488 -3.095) 3.373 6.698 ( 1.249 -0.488 3.095) 3.373 6.846 ( -0.232 0.143 -1.233) 1.262 6.846 ( -0.232 0.143 1.233) 1.262 7.076 ( -0.532 -3.261 -3.599) 4.886 7.076 ( -0.532 -3.261 3.599) 4.886 7.255 ( 0.401 -1.880 -1.000) 2.167 7.255 ( 0.401 -1.880 1.000) 2.167 7.444 ( 0.785 -3.400 -4.730) 5.877 7.444 ( 0.785 -3.400 4.730) 5.877 8.038 ( -0.754 -6.106 -8.387) 10.402 8.038 ( -0.754 -6.106 8.387) 10.402 8.693 ( 1.372 -6.100 -3.018) 6.943 8.693 ( 1.372 -6.100 3.018) 6.943 13.620 ( -0.174 3.265 -0.748) 3.355 13.620 ( -0.174 3.265 0.748) 3.355 15.184 ( 0.167 0.924 -1.485) 1.757 15.184 ( 0.167 0.924 1.485) 1.757 15.256 ( -0.597 -3.029 -3.969) 5.029 15.256 ( -0.597 -3.029 3.969) 5.029 15.596 ( 0.367 -1.300 -4.204) 4.416 15.596 ( 0.367 -1.300 4.204) 4.416 ======================= Grid point 374 (113/125) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -0.000 1.320 -6.554) 6.685 1.141 ( -0.000 1.320 6.554) 6.685 1.503 ( 0.000 -1.481 -15.661) 15.731 1.503 ( 0.000 -1.481 15.661) 15.731 2.070 ( -0.000 7.414 -5.307) 9.118 2.070 ( -0.000 7.414 5.307) 9.118 2.075 ( 0.000 -11.285 -9.032) 14.455 2.075 ( 0.000 -11.285 9.032) 14.455 2.362 ( 0.000 -0.711 -5.295) 5.343 2.362 ( 0.000 -0.711 5.295) 5.343 2.699 ( 0.000 -10.094 -10.100) 14.279 2.699 ( 0.000 -10.094 10.100) 14.279 2.806 ( 0.000 -17.289 -5.506) 18.144 2.806 ( 0.000 -17.289 5.506) 18.144 3.130 ( -0.000 4.054 -12.219) 12.874 3.130 ( -0.000 4.054 12.219) 12.874 3.925 ( -0.000 12.024 -1.962) 12.183 3.925 ( -0.000 12.024 1.962) 12.183 4.037 ( -0.000 11.319 -4.698) 12.255 4.037 ( -0.000 11.319 4.698) 12.255 5.651 ( 0.000 -1.726 -2.408) 2.962 5.651 ( 0.000 -1.726 2.408) 2.962 5.652 ( -0.000 5.747 -1.373) 5.909 5.652 ( -0.000 5.747 1.373) 5.909 5.728 ( -0.000 2.488 -7.401) 7.808 5.728 ( -0.000 2.488 7.401) 7.808 5.900 ( -0.000 9.020 -2.144) 9.271 5.900 ( -0.000 9.020 2.144) 9.271 6.098 ( -0.000 2.492 -2.257) 3.362 6.098 ( -0.000 2.492 2.257) 3.362 6.183 ( -0.000 2.885 -6.871) 7.452 6.183 ( -0.000 2.885 6.871) 7.452 6.709 ( 0.000 -0.479 -3.180) 3.216 6.709 ( 0.000 -0.479 3.180) 3.216 6.850 ( 0.000 -0.243 -1.808) 1.824 6.850 ( 0.000 -0.243 1.808) 1.824 7.092 ( -0.000 0.492 -3.102) 3.141 7.092 ( -0.000 0.492 3.102) 3.141 7.315 ( 0.000 -3.848 -0.507) 3.882 7.315 ( 0.000 -3.848 0.507) 3.882 7.523 ( 0.000 -4.665 -5.320) 7.076 7.523 ( 0.000 -4.665 5.320) 7.076 8.144 ( 0.000 -5.668 -10.675) 12.087 8.144 ( 0.000 -5.668 10.675) 12.087 8.809 ( 0.000 -5.894 -2.941) 6.587 8.809 ( 0.000 -5.894 2.941) 6.587 13.557 ( -0.000 3.380 -0.694) 3.450 13.557 ( -0.000 3.380 0.694) 3.450 15.161 ( -0.000 1.588 -0.825) 1.790 15.161 ( -0.000 1.588 0.825) 1.790 15.314 ( 0.000 -3.412 -6.087) 6.978 15.314 ( 0.000 -3.412 6.087) 6.978 15.626 ( 0.000 -1.782 -5.476) 5.759 15.626 ( 0.000 -1.782 5.476) 5.759 ======================= Grid point 380 (114/125) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 7.205 -0.000 -7.662) 10.518 1.238 ( 7.205 -0.000 7.662) 10.518 1.580 ( 1.040 -0.000 -6.353) 6.438 1.580 ( 1.040 -0.000 6.353) 6.438 1.859 ( -0.308 0.000 -2.684) 2.701 1.859 ( -0.308 0.000 2.684) 2.701 2.081 ( -12.914 0.000 -0.959) 12.950 2.081 ( -12.914 0.000 0.959) 12.950 2.423 ( -0.664 0.000 -2.172) 2.271 2.423 ( -0.664 0.000 2.172) 2.271 2.944 ( -4.625 0.000 -11.272) 12.184 2.944 ( -4.625 0.000 11.272) 12.184 3.127 ( 6.790 -0.000 -13.777) 15.359 3.127 ( 6.790 -0.000 13.777) 15.359 3.388 ( 3.814 -0.000 -6.883) 7.869 3.388 ( 3.814 -0.000 6.883) 7.869 3.576 ( -1.337 0.000 -2.681) 2.996 3.576 ( -1.337 0.000 2.681) 2.996 3.709 ( 5.142 -0.000 -8.744) 10.144 3.709 ( 5.142 -0.000 8.744) 10.144 5.442 ( -0.689 0.000 -5.055) 5.102 5.442 ( -0.689 0.000 5.055) 5.102 5.636 ( -2.331 0.000 -1.583) 2.818 5.636 ( -2.331 0.000 1.583) 2.818 5.723 ( 1.239 -0.000 -5.993) 6.120 5.723 ( 1.239 -0.000 5.993) 6.120 5.762 ( -0.115 0.000 -1.202) 1.207 5.762 ( -0.115 0.000 1.202) 1.207 6.128 ( 4.433 -0.000 -1.685) 4.743 6.128 ( 4.433 -0.000 1.685) 4.743 6.153 ( 2.500 -0.000 -11.190) 11.466 6.153 ( 2.500 -0.000 11.190) 11.466 6.704 ( -2.357 0.000 -1.743) 2.931 6.704 ( -2.357 0.000 1.743) 2.931 6.787 ( -1.671 0.000 -0.072) 1.672 6.787 ( -1.671 0.000 0.072) 1.672 7.096 ( -0.356 0.000 -3.622) 3.640 7.096 ( -0.356 0.000 3.622) 3.640 7.368 ( -1.956 0.000 -2.646) 3.291 7.368 ( -1.956 0.000 2.646) 3.291 7.586 ( -1.779 0.000 -3.095) 3.570 7.586 ( -1.779 0.000 3.095) 3.570 8.325 ( 4.118 -0.000 -13.131) 13.761 8.325 ( 4.118 -0.000 13.131) 13.761 8.824 ( -6.822 0.000 -1.351) 6.954 8.824 ( -6.822 0.000 1.351) 6.954 13.504 ( 0.967 -0.000 -0.729) 1.211 13.504 ( 0.967 -0.000 0.729) 1.211 15.106 ( -0.771 0.000 -1.029) 1.286 15.106 ( -0.771 0.000 1.029) 1.286 15.436 ( 3.210 -0.000 -9.387) 9.920 15.436 ( 3.210 -0.000 9.387) 9.920 15.641 ( -1.973 0.000 -6.000) 6.316 15.641 ( -1.973 0.000 6.000) 6.316 ======================= Grid point 382 (115/125) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 7.824 0.582 -6.184) 9.990 1.281 ( 7.824 0.582 6.184) 9.990 1.580 ( 0.327 0.336 -4.842) 4.865 1.580 ( 0.327 0.336 4.842) 4.865 1.889 ( -0.342 -2.634 -1.146) 2.892 1.889 ( -0.342 -2.634 1.146) 2.892 1.986 ( -11.621 1.012 -0.524) 11.676 1.986 ( -11.621 1.012 0.524) 11.676 2.351 ( -1.831 6.492 -7.706) 10.240 2.351 ( -1.831 6.492 7.706) 10.240 2.789 ( -4.729 11.755 -10.919) 16.726 2.789 ( -4.729 11.755 10.919) 16.726 3.178 ( 7.417 0.719 -12.588) 14.628 3.178 ( 7.417 0.719 12.588) 14.628 3.344 ( 7.920 7.056 -11.329) 15.519 3.344 ( 7.920 7.056 11.329) 15.519 3.612 ( -3.411 -8.889 -6.802) 11.701 3.612 ( -3.411 -8.889 6.802) 11.701 3.901 ( 1.974 -12.251 -4.712) 13.273 3.901 ( 1.974 -12.251 4.712) 13.273 5.489 ( -1.156 -4.845 -4.313) 6.589 5.489 ( -1.156 -4.845 4.313) 6.589 5.629 ( -1.832 -0.877 -1.472) 2.508 5.629 ( -1.832 -0.877 1.472) 2.508 5.731 ( 0.683 -0.080 -5.637) 5.678 5.731 ( 0.683 -0.080 5.637) 5.678 5.785 ( -0.214 -3.127 -0.914) 3.265 5.785 ( -0.214 -3.127 0.914) 3.265 6.172 ( 4.736 -1.139 -2.973) 5.707 6.172 ( 4.736 -1.139 2.973) 5.707 6.192 ( 3.030 -2.684 -8.843) 9.725 6.192 ( 3.030 -2.684 8.843) 9.725 6.686 ( -2.002 0.188 -1.557) 2.543 6.686 ( -2.002 0.188 1.557) 2.543 6.786 ( -1.347 -0.751 -1.292) 2.012 6.786 ( -1.347 -0.751 1.292) 2.012 7.096 ( -1.445 -0.868 -4.266) 4.587 7.096 ( -1.445 -0.868 4.266) 4.587 7.332 ( -1.893 2.422 -2.705) 4.094 7.332 ( -1.893 2.422 2.705) 4.094 7.550 ( -0.858 2.813 -2.261) 3.709 7.550 ( -0.858 2.813 2.261) 3.709 8.314 ( 3.617 4.136 -13.874) 14.922 8.314 ( 3.617 4.136 13.874) 14.922 8.751 ( -6.667 2.895 -1.119) 7.354 8.751 ( -6.667 2.895 1.119) 7.354 13.527 ( 0.828 -1.874 -0.893) 2.235 13.527 ( 0.828 -1.874 0.893) 2.235 15.116 ( -0.577 -1.550 -0.934) 1.900 15.116 ( -0.577 -1.550 0.934) 1.900 15.434 ( 3.179 2.588 -9.679) 10.511 15.434 ( 3.179 2.588 9.679) 10.511 15.614 ( -2.167 1.267 -5.276) 5.842 15.614 ( -2.167 1.267 5.276) 5.842 ======================= Grid point 384 (116/125) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 7.994 0.140 -3.700) 8.810 1.326 ( 7.994 0.140 3.700) 8.810 1.569 ( -0.601 0.978 -5.118) 5.245 1.569 ( -0.602 0.978 5.118) 5.245 1.862 ( -4.269 3.385 -6.406) 8.410 1.862 ( -4.269 3.385 6.406) 8.410 1.968 ( -6.618 -4.788 -3.957) 9.076 1.968 ( -6.618 -4.788 3.957) 9.076 2.210 ( -1.768 6.587 -9.581) 11.761 2.210 ( -1.768 6.587 9.581) 11.761 2.512 ( -3.434 14.707 -9.712) 17.956 2.512 ( -3.434 14.707 9.712) 17.956 3.168 ( 9.531 6.567 -4.353) 12.366 3.168 ( 9.531 6.567 4.353) 12.366 3.313 ( 4.395 1.337 -4.616) 6.513 3.313 ( 4.395 1.337 4.616) 6.513 3.792 ( -3.596 -12.645 -9.756) 16.371 3.792 ( -3.596 -12.645 9.756) 16.371 4.108 ( 0.512 -9.512 -3.428) 10.124 4.108 ( 0.512 -9.512 3.428) 10.124 5.552 ( -1.598 -2.428 -2.252) 3.677 5.552 ( -1.598 -2.428 2.252) 3.677 5.651 ( -0.906 -2.628 -2.113) 3.491 5.651 ( -0.906 -2.628 2.113) 3.491 5.735 ( -0.248 -0.305 -4.457) 4.474 5.735 ( -0.248 -0.305 4.457) 4.474 5.888 ( -0.627 -8.587 -1.282) 8.705 5.888 ( -0.627 -8.587 1.282) 8.705 6.219 ( 3.931 -1.092 -7.756) 8.763 6.219 ( 3.931 -1.092 7.756) 8.763 6.295 ( 4.760 -5.472 -6.062) 9.452 6.295 ( 4.760 -5.472 6.062) 9.452 6.666 ( -2.109 0.884 -2.487) 3.378 6.666 ( -2.109 0.884 2.487) 3.378 6.788 ( -2.096 -0.648 -2.092) 3.032 6.788 ( -2.096 -0.648 2.092) 3.032 7.118 ( 0.098 -2.204 -3.385) 4.040 7.118 ( 0.098 -2.204 3.385) 4.040 7.263 ( -1.750 3.844 -0.988) 4.337 7.263 ( -1.750 3.844 0.988) 4.337 7.481 ( -0.118 4.206 -1.866) 4.602 7.481 ( -0.118 4.206 1.866) 4.602 8.225 ( 2.035 7.659 -14.084) 16.160 8.225 ( 2.035 7.659 14.084) 16.160 8.648 ( -5.060 3.840 -1.032) 6.435 8.648 ( -5.060 3.840 1.032) 6.435 13.577 ( 0.542 -2.996 -0.792) 3.146 13.577 ( 0.542 -2.996 0.792) 3.146 15.148 ( -0.242 -2.001 -1.672) 2.619 15.148 ( -0.242 -2.001 1.672) 2.619 15.386 ( 2.313 4.697 -8.963) 10.380 15.386 ( 2.313 4.697 8.963) 10.380 15.578 ( -1.765 1.100 -3.992) 4.501 15.578 ( -1.765 1.100 3.992) 4.501 ======================= Grid point 386 (117/125) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 5.869 1.413 -1.088) 6.134 1.367 ( 5.869 1.413 1.088) 6.134 1.546 ( -1.590 -0.233 -3.482) 3.835 1.546 ( -1.590 -0.233 3.482) 3.835 1.783 ( 1.431 4.500 -5.075) 6.932 1.783 ( 1.431 4.500 5.075) 6.932 1.970 ( -9.531 -0.672 -3.191) 10.074 1.970 ( -9.531 -0.672 3.191) 10.074 2.129 ( -0.103 1.303 -8.089) 8.194 2.129 ( -0.103 1.303 8.089) 8.194 2.288 ( -2.281 5.962 -7.953) 10.198 2.288 ( -2.281 5.962 7.953) 10.198 3.072 ( 9.572 11.218 -12.089) 19.068 3.072 ( 9.572 11.218 12.089) 19.068 3.323 ( -0.658 -0.590 -0.871) 1.241 3.323 ( -0.658 -0.590 0.871) 1.241 3.995 ( -2.125 -11.583 -9.328) 15.023 3.995 ( -2.125 -11.583 9.328) 15.023 4.240 ( 0.198 -4.887 -1.369) 5.079 4.240 ( 0.198 -4.887 1.369) 5.079 5.565 ( -0.719 -0.451 -0.996) 1.309 5.565 ( -0.719 -0.451 0.996) 1.309 5.699 ( -0.699 -2.936 -2.319) 3.806 5.699 ( -0.699 -2.936 2.319) 3.806 5.745 ( -0.489 -1.166 -3.645) 3.858 5.745 ( -0.489 -1.166 3.645) 3.858 6.051 ( -0.164 -8.696 -2.340) 9.007 6.051 ( -0.164 -8.696 2.340) 9.007 6.256 ( 1.479 -0.533 -6.927) 7.103 6.256 ( 1.479 -0.533 6.927) 7.103 6.436 ( 6.160 -5.697 -6.261) 10.470 6.436 ( 6.160 -5.697 6.261) 10.470 6.624 ( -4.147 0.957 -2.187) 4.785 6.624 ( -4.147 0.957 2.187) 4.785 6.792 ( -1.103 -1.403 -2.161) 2.803 6.792 ( -1.103 -1.403 2.161) 2.803 7.128 ( 1.253 5.821 -3.697) 7.009 7.128 ( 1.253 5.821 3.697) 7.009 7.207 ( -1.070 -2.062 -0.491) 2.375 7.207 ( -1.070 -2.062 0.491) 2.375 7.416 ( -0.034 2.583 -2.150) 3.361 7.416 ( -0.034 2.583 2.150) 3.361 8.082 ( 0.399 8.437 -11.965) 14.646 8.082 ( 0.399 8.437 11.965) 14.646 8.565 ( -2.493 2.217 -1.166) 3.535 8.565 ( -2.493 2.217 1.166) 3.535 13.634 ( 0.244 -2.766 -0.625) 2.846 13.634 ( 0.244 -2.766 0.625) 2.846 15.177 ( -0.035 -1.267 -1.694) 2.115 15.177 ( -0.035 -1.267 1.694) 2.115 15.307 ( 1.030 4.916 -6.372) 8.114 15.307 ( 1.030 4.916 6.372) 8.114 15.559 ( -0.847 0.005 -2.593) 2.728 15.559 ( -0.847 0.005 2.593) 2.728 ======================= Grid point 388 (118/125) ======================= q-point: ( 0.67 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 1.038 4.518 -4.144) 6.218 1.329 ( 1.038 4.518 4.144) 6.218 1.575 ( -0.493 -2.067 -2.231) 3.081 1.575 ( -0.493 -2.067 2.231) 3.081 1.687 ( 1.013 5.626 -6.847) 8.920 1.687 ( 1.013 5.626 6.847) 8.920 1.959 ( -2.618 -4.483 -6.167) 8.062 1.959 ( -2.618 -4.483 6.167) 8.062 2.153 ( 3.548 -2.898 -6.286) 7.779 2.153 ( 3.548 -2.898 6.286) 7.779 2.267 ( -5.520 -4.442 -6.965) 9.935 2.267 ( -5.520 -4.442 6.965) 9.935 2.895 ( 4.771 13.435 -13.745) 19.804 2.895 ( 4.771 13.435 13.745) 19.804 3.316 ( -1.258 0.792 -0.890) 1.732 3.316 ( -1.258 0.792 0.890) 1.732 4.160 ( -0.713 -7.355 -6.144) 9.610 4.160 ( -0.713 -7.355 6.144) 9.610 4.287 ( 0.325 -0.074 -1.514) 1.550 4.287 ( 0.325 -0.074 1.514) 1.550 5.571 ( -0.045 -0.630 -1.555) 1.679 5.571 ( -0.045 -0.630 1.555) 1.679 5.739 ( -0.340 -1.730 -1.587) 2.372 5.739 ( -0.340 -1.730 1.587) 2.372 5.767 ( -0.223 -1.301 -2.374) 2.716 5.767 ( -0.223 -1.301 2.374) 2.716 6.171 ( 3.848 -2.858 -1.220) 4.946 6.171 ( 3.848 -2.858 1.220) 4.946 6.246 ( -4.228 0.283 -3.697) 5.624 6.246 ( -4.228 0.283 3.697) 5.624 6.499 ( 1.935 3.744 -2.149) 4.730 6.499 ( 1.935 3.744 2.149) 4.730 6.635 ( -0.859 -4.524 -5.025) 6.815 6.635 ( -0.859 -4.524 5.025) 6.815 6.844 ( 0.620 -5.083 -3.272) 6.077 6.844 ( 0.620 -5.083 3.272) 6.077 6.986 ( -0.549 8.164 -5.147) 9.666 6.986 ( -0.549 8.164 5.147) 9.666 7.251 ( 0.190 -1.457 -0.450) 1.537 7.251 ( 0.190 -1.457 0.450) 1.537 7.391 ( -0.077 0.268 -3.322) 3.334 7.391 ( -0.077 0.268 3.322) 3.334 7.962 ( -0.120 4.109 -5.963) 7.242 7.962 ( -0.120 4.109 5.963) 7.242 8.546 ( -0.412 -1.179 -2.267) 2.589 8.546 ( -0.412 -1.179 2.267) 2.589 13.670 ( 0.037 -0.967 -0.580) 1.128 13.670 ( 0.037 -0.967 0.580) 1.128 15.192 ( -0.011 -0.406 -0.606) 0.729 15.192 ( -0.011 -0.406 0.606) 0.729 15.239 ( 0.203 2.729 -2.754) 3.882 15.239 ( 0.203 2.729 2.754) 3.882 15.563 ( -0.158 -0.707 -0.466) 0.861 15.563 ( -0.158 -0.707 0.466) 0.861 ======================= Grid point 390 (119/125) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( -0.000 4.398 -4.893) 6.579 1.248 ( -0.000 4.398 4.893) 6.579 1.528 ( -0.000 3.916 -10.484) 11.191 1.528 ( -0.000 3.915 10.484) 11.191 1.722 ( 0.000 -6.691 -4.288) 7.947 1.722 ( 0.000 -6.691 4.288) 7.947 2.063 ( 0.000 -6.494 -5.833) 8.729 2.063 ( 0.000 -6.494 5.833) 8.729 2.273 ( 0.000 -7.808 -3.860) 8.710 2.273 ( 0.000 -7.808 3.860) 8.710 2.351 ( 0.000 -7.949 -7.063) 10.633 2.351 ( 0.000 -7.949 7.063) 10.633 2.669 ( -0.000 12.666 -13.316) 18.378 2.669 ( -0.000 12.666 13.316) 18.378 3.278 ( -0.000 2.938 -3.609) 4.654 3.278 ( -0.000 2.938 3.609) 4.654 4.235 ( 0.000 -1.013 -2.018) 2.257 4.235 ( 0.000 -1.013 2.018) 2.257 4.246 ( -0.000 4.775 -3.295) 5.801 4.246 ( -0.000 4.775 3.295) 5.801 5.589 ( 0.000 -1.351 -2.190) 2.573 5.589 ( 0.000 -1.351 2.190) 2.573 5.749 ( -0.000 0.626 -0.982) 1.165 5.749 ( -0.000 0.626 0.982) 1.165 5.783 ( 0.000 -0.337 -0.947) 1.005 5.783 ( 0.000 -0.337 0.947) 1.005 6.164 ( -0.000 3.853 -4.706) 6.082 6.164 ( -0.000 3.853 4.706) 6.082 6.245 ( 0.000 -0.960 -2.810) 2.970 6.245 ( 0.000 -0.960 2.810) 2.970 6.374 ( -0.000 10.114 -0.871) 10.151 6.374 ( -0.000 10.114 0.871) 10.151 6.690 ( 0.000 -1.432 -3.248) 3.550 6.690 ( 0.000 -1.432 3.248) 3.550 6.871 ( -0.000 3.559 -2.477) 4.337 6.871 ( -0.000 3.559 2.477) 4.337 6.971 ( 0.000 -7.473 -4.881) 8.926 6.971 ( 0.000 -7.473 4.881) 8.926 7.253 ( -0.000 0.734 -0.917) 1.174 7.253 ( -0.000 0.734 0.917) 1.174 7.402 ( 0.000 -1.501 -4.338) 4.591 7.402 ( 0.000 -1.501 4.338) 4.591 7.951 ( 0.000 -2.666 -2.531) 3.676 7.951 ( 0.000 -2.666 2.532) 3.676 8.598 ( 0.000 -4.502 -3.009) 5.415 8.598 ( 0.000 -4.502 3.009) 5.415 13.665 ( -0.000 1.567 -0.703) 1.717 13.665 ( -0.000 1.567 0.703) 1.717 15.194 ( -0.000 0.167 -1.023) 1.037 15.194 ( -0.000 0.167 1.023) 1.037 15.220 ( 0.000 -0.570 -0.904) 1.069 15.220 ( 0.000 -0.570 0.904) 1.069 15.578 ( 0.000 -0.930 -2.179) 2.369 15.578 ( 0.000 -0.930 2.179) 2.369 ======================= Grid point 400 (120/125) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 8.241 -0.000 -6.477) 10.481 1.341 ( 8.241 -0.000 6.477) 10.481 1.572 ( -2.243 0.000 -0.018) 2.243 1.572 ( -2.243 0.000 0.018) 2.243 1.876 ( 1.738 -0.000 -0.688) 1.869 1.876 ( 1.738 -0.000 0.688) 1.869 1.922 ( -9.700 0.000 -0.609) 9.719 1.922 ( -9.700 0.000 0.609) 9.719 2.400 ( -2.671 0.000 -6.220) 6.769 2.400 ( -2.671 0.000 6.220) 6.769 2.870 ( -5.154 0.000 -11.510) 12.611 2.870 ( -5.154 0.000 11.510) 12.611 3.241 ( 9.296 -0.000 -11.155) 14.521 3.241 ( 9.296 -0.000 11.155) 14.521 3.445 ( 4.136 -0.000 -0.749) 4.203 3.445 ( 4.136 -0.000 0.749) 4.203 3.548 ( -2.945 0.000 -5.430) 6.177 3.548 ( -2.945 0.000 5.430) 6.177 3.759 ( 2.387 -0.000 -8.651) 8.975 3.759 ( 2.387 -0.000 8.651) 8.975 5.436 ( -0.329 0.000 -4.619) 4.631 5.436 ( -0.329 0.000 4.619) 4.631 5.606 ( -2.106 0.000 -0.029) 2.107 5.606 ( -2.106 0.000 0.029) 2.107 5.737 ( 0.808 -0.000 -6.185) 6.237 5.737 ( 0.808 -0.000 6.185) 6.237 5.762 ( 0.141 -0.000 -0.747) 0.760 5.762 ( 0.141 -0.000 0.747) 0.760 6.172 ( 2.413 -0.000 -9.612) 9.910 6.172 ( 2.413 -0.000 9.612) 9.910 6.201 ( 3.967 -0.000 -5.109) 6.469 6.201 ( 3.967 -0.000 5.109) 6.469 6.674 ( -1.373 0.000 -0.853) 1.617 6.674 ( -1.373 0.000 0.853) 1.617 6.775 ( -0.597 0.000 -1.980) 2.068 6.775 ( -0.597 0.000 1.980) 2.068 7.071 ( -3.255 0.000 -4.936) 5.912 7.071 ( -3.255 0.000 4.936) 5.912 7.345 ( -1.357 0.000 -3.830) 4.063 7.345 ( -1.357 0.000 3.830) 4.063 7.571 ( -0.496 0.000 -1.383) 1.469 7.571 ( -0.496 0.000 1.383) 1.469 8.377 ( 3.581 -0.000 -14.842) 15.268 8.377 ( 3.581 -0.000 14.842) 15.268 8.735 ( -6.322 0.000 -0.898) 6.385 8.735 ( -6.322 0.000 0.898) 6.385 13.515 ( 0.722 -0.000 -1.341) 1.523 13.515 ( 0.722 -0.000 1.341) 1.523 15.098 ( -0.531 0.000 -0.649) 0.839 15.098 ( -0.531 0.000 0.649) 0.839 15.480 ( 3.308 -0.000 -10.682) 11.183 15.480 ( 3.308 -0.000 10.682) 11.183 15.612 ( -2.359 0.000 -5.493) 5.978 15.612 ( -2.359 0.000 5.493) 5.978 ======================= Grid point 402 (121/125) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 8.238 0.603 -4.941) 9.625 1.388 ( 8.238 0.603 4.941) 9.625 1.559 ( -3.603 -0.378 -1.360) 3.870 1.559 ( -3.603 -0.378 1.360) 3.870 1.853 ( -7.620 -0.378 -4.428) 8.821 1.853 ( -7.620 -0.378 4.428) 8.821 1.905 ( 1.866 0.017 -4.932) 5.273 1.905 ( 1.866 0.017 4.932) 5.273 2.320 ( -2.521 6.151 -10.920) 12.785 2.320 ( -2.521 6.151 10.920) 12.785 2.738 ( -2.733 10.975 -10.895) 15.704 2.738 ( -2.733 10.975 10.895) 15.704 3.270 ( 6.051 2.228 -9.801) 11.732 3.270 ( 6.051 2.228 9.801) 11.732 3.433 ( 5.009 5.432 -13.955) 15.791 3.433 ( 5.009 5.432 13.955) 15.791 3.569 ( -2.863 -8.496 -10.638) 13.912 3.569 ( -2.863 -8.496 10.638) 13.912 3.913 ( 0.155 -11.641 -6.022) 13.108 3.913 ( 0.155 -11.641 6.022) 13.108 5.478 ( -0.522 -4.163 -3.838) 5.686 5.478 ( -0.522 -4.163 3.838) 5.686 5.607 ( -1.308 -1.465 -1.488) 2.464 5.607 ( -1.308 -1.465 1.488) 2.464 5.737 ( 0.221 0.383 -5.441) 5.459 5.737 ( 0.221 0.383 5.441) 5.459 5.784 ( 0.018 -2.831 -0.381) 2.857 5.784 ( 0.018 -2.831 0.381) 2.857 6.208 ( 1.539 -1.975 -13.349) 13.582 6.208 ( 1.539 -1.975 13.349) 13.582 6.247 ( 4.015 -2.871 -1.037) 5.043 6.247 ( 4.015 -2.871 1.037) 5.043 6.667 ( -0.780 0.480 -2.395) 2.564 6.667 ( -0.780 0.480 2.395) 2.564 6.771 ( -1.040 -0.126 -2.483) 2.695 6.771 ( -1.040 -0.126 2.483) 2.695 7.067 ( -2.400 -2.092 -4.655) 5.639 7.067 ( -2.400 -2.092 4.655) 5.639 7.314 ( -0.873 2.514 -3.197) 4.159 7.314 ( -0.873 2.514 3.197) 4.159 7.545 ( -0.045 2.616 -1.164) 2.864 7.545 ( -0.045 2.616 1.164) 2.864 8.355 ( 2.386 4.730 -15.713) 16.582 8.355 ( 2.386 4.730 15.713) 16.582 8.674 ( -4.610 2.450 -1.178) 5.352 8.674 ( -4.610 2.450 1.178) 5.352 13.536 ( 0.469 -1.807 -1.399) 2.333 13.536 ( 0.469 -1.807 1.399) 2.333 15.111 ( -0.296 -1.668 -1.052) 1.994 15.111 ( -0.296 -1.668 1.052) 1.994 15.474 ( 2.647 2.969 -11.392) 12.066 15.474 ( 2.647 2.969 11.392) 12.066 15.586 ( -2.061 1.045 -4.167) 4.765 15.586 ( -2.061 1.045 4.167) 4.765 ======================= Grid point 404 (122/125) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 7.463 0.845 -1.601) 7.680 1.430 ( 7.463 0.845 1.601) 7.680 1.528 ( -5.198 0.203 -3.018) 6.014 1.528 ( -5.198 0.203 3.018) 6.014 1.834 ( -0.216 -0.464 -3.109) 3.151 1.834 ( -0.216 -0.464 3.109) 3.151 1.901 ( -3.268 0.307 -3.930) 5.121 1.901 ( -3.268 0.307 3.930) 5.121 2.192 ( -0.807 5.717 -13.006) 14.230 2.192 ( -0.807 5.717 13.006) 14.230 2.482 ( -1.158 14.479 -9.464) 17.336 2.482 ( -1.158 14.479 9.464) 17.336 3.272 ( 5.591 2.127 -2.772) 6.593 3.272 ( 5.591 2.127 2.772) 6.593 3.341 ( -0.111 6.432 -11.592) 13.258 3.341 ( -0.111 6.432 11.592) 13.258 3.757 ( -1.451 -12.880 -12.738) 18.173 3.757 ( -1.451 -12.880 12.738) 18.173 4.110 ( -0.095 -9.535 -4.170) 10.407 4.110 ( -0.095 -9.535 4.170) 10.407 5.539 ( -0.501 -2.367 -1.889) 3.069 5.539 ( -0.501 -2.367 1.889) 3.069 5.642 ( -0.428 -2.832 -2.322) 3.687 5.642 ( -0.428 -2.832 2.322) 3.687 5.732 ( -0.148 -0.024 -4.324) 4.327 5.732 ( -0.148 -0.024 4.324) 4.327 5.882 ( -0.227 -8.268 -1.691) 8.442 5.882 ( -0.227 -8.268 1.691) 8.442 6.250 ( 1.007 -1.584 -11.756) 11.905 6.250 ( 1.007 -1.584 11.756) 11.905 6.357 ( 3.489 -6.174 -4.882) 8.610 6.357 ( 3.489 -6.174 4.882) 8.610 6.633 ( -2.170 2.224 -3.393) 4.601 6.633 ( -2.170 2.224 3.393) 4.601 6.770 ( -0.578 -0.510 -2.615) 2.726 6.770 ( -0.578 -0.510 2.615) 2.726 7.118 ( -0.010 -4.173 -2.738) 4.991 7.118 ( -0.010 -4.173 2.738) 4.991 7.247 ( -0.639 4.404 -0.434) 4.472 7.247 ( -0.639 4.404 0.434) 4.472 7.482 ( 0.089 4.183 -1.947) 4.615 7.482 ( 0.089 4.183 1.947) 4.615 8.244 ( 0.715 8.429 -15.260) 17.448 8.244 ( 0.715 8.429 15.260) 17.448 8.600 ( -2.022 3.088 -1.441) 3.962 8.600 ( -2.022 3.088 1.441) 3.962 13.582 ( 0.195 -2.913 -1.155) 3.139 13.582 ( 0.195 -2.913 1.155) 3.139 15.146 ( -0.071 -2.110 -1.848) 2.806 15.146 ( -0.071 -2.110 1.848) 2.806 15.409 ( 1.037 5.298 -10.227) 11.565 15.409 ( 1.037 5.298 10.227) 11.565 15.559 ( -0.842 0.660 -3.147) 3.324 15.559 ( -0.842 0.660 3.147) 3.324 ======================= Grid point 406 (123/125) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -0.000 3.820 -3.570) 5.228 1.412 ( -0.000 3.820 3.570) 5.228 1.529 ( 0.000 -2.190 -4.193) 4.730 1.529 ( 0.000 -2.190 4.193) 4.730 1.819 ( -0.000 6.123 -2.745) 6.710 1.819 ( -0.000 6.123 2.745) 6.710 1.878 ( 0.000 -2.833 -5.090) 5.825 1.878 ( 0.000 -2.833 5.090) 5.825 2.132 ( -0.000 0.455 -10.294) 10.304 2.132 ( -0.000 0.455 10.294) 10.304 2.272 ( -0.000 6.869 -7.169) 9.929 2.272 ( -0.000 6.869 7.169) 9.929 3.145 ( -0.000 12.183 -14.938) 19.276 3.145 ( -0.000 12.183 14.938) 19.276 3.310 ( 0.000 -0.858 -2.073) 2.244 3.310 ( 0.000 -0.858 2.073) 2.244 3.981 ( 0.000 -11.870 -10.174) 15.633 3.981 ( 0.000 -11.870 10.174) 15.633 4.241 ( 0.000 -5.016 -1.634) 5.275 4.241 ( 0.000 -5.016 1.634) 5.275 5.561 ( 0.000 -0.649 -1.163) 1.332 5.561 ( 0.000 -0.649 1.163) 1.332 5.694 ( 0.000 -2.930 -2.498) 3.850 5.694 ( 0.000 -2.930 2.498) 3.850 5.742 ( 0.000 -1.135 -3.710) 3.879 5.742 ( 0.000 -1.135 3.710) 3.879 6.050 ( 0.000 -9.413 -2.455) 9.728 6.050 ( 0.000 -9.413 2.455) 9.728 6.264 ( -0.000 0.712 -8.327) 8.357 6.264 ( -0.000 0.712 8.327) 8.357 6.501 ( 0.000 -7.978 -7.172) 10.728 6.501 ( 0.000 -7.978 7.172) 10.728 6.572 ( -0.000 3.157 -2.158) 3.824 6.572 ( -0.000 3.157 2.158) 3.824 6.787 ( 0.000 -1.741 -2.161) 2.775 6.787 ( 0.000 -1.741 2.161) 2.775 7.137 ( -0.000 7.670 -3.453) 8.411 7.137 ( -0.000 7.670 3.453) 8.411 7.199 ( 0.000 -4.121 -0.446) 4.145 7.199 ( 0.000 -4.121 0.446) 4.145 7.416 ( -0.000 2.675 -2.751) 3.837 7.416 ( -0.000 2.675 2.751) 3.837 8.085 ( -0.000 8.749 -12.340) 15.127 8.085 ( -0.000 8.749 12.340) 15.127 8.549 ( -0.000 1.640 -1.756) 2.403 8.549 ( -0.000 1.640 1.756) 2.403 13.635 ( 0.000 -2.708 -0.798) 2.823 13.635 ( 0.000 -2.708 0.798) 2.823 15.177 ( 0.000 -1.289 -1.727) 2.155 15.177 ( 0.000 -1.289 1.727) 2.155 15.314 ( -0.000 5.201 -6.760) 8.530 15.314 ( -0.000 5.201 6.760) 8.530 15.553 ( 0.000 -0.224 -2.298) 2.309 15.553 ( 0.000 -0.224 2.298) 2.309 ======================= Grid point 422 (124/125) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 7.302 -0.000 -5.390) 9.076 1.445 ( 7.302 -0.000 5.390) 9.076 1.527 ( -4.626 0.000 -2.431) 5.226 1.527 ( -4.626 0.000 2.431) 5.226 1.803 ( -4.936 0.000 -6.669) 8.297 1.803 ( -4.936 0.000 6.669) 8.297 1.926 ( 2.241 -0.000 -5.119) 5.588 1.926 ( 2.241 -0.000 5.119) 5.588 2.365 ( -1.944 0.000 -10.236) 10.419 2.365 ( -1.944 0.000 10.236) 10.419 2.824 ( -1.748 0.000 -9.976) 10.128 2.824 ( -1.748 0.000 9.976) 10.128 3.352 ( 6.926 -0.000 -7.874) 10.487 3.352 ( 6.926 -0.000 7.874) 10.487 3.462 ( -2.655 0.000 -12.470) 12.750 3.462 ( -2.655 0.000 12.470) 12.750 3.521 ( 0.086 -0.000 -15.618) 15.618 3.521 ( 0.086 -0.000 15.618) 15.618 3.775 ( 0.429 -0.000 -8.554) 8.565 3.775 ( 0.429 -0.000 8.554) 8.565 5.433 ( -0.059 0.000 -4.387) 4.388 5.433 ( -0.059 0.000 4.387) 4.388 5.586 ( -0.858 0.000 -1.064) 1.367 5.586 ( -0.858 0.000 1.064) 1.367 5.744 ( 0.256 -0.000 -6.027) 6.032 5.744 ( 0.256 -0.000 6.027) 6.032 5.764 ( 0.118 -0.000 -0.569) 0.581 5.764 ( 0.118 -0.000 0.569) 0.581 6.197 ( 1.170 -0.000 -15.157) 15.202 6.197 ( 1.170 -0.000 15.157) 15.202 6.236 ( 1.271 -0.000 -0.804) 1.504 6.236 ( 1.271 -0.000 0.804) 1.504 6.673 ( 0.695 -0.000 -2.308) 2.410 6.673 ( 0.695 -0.000 2.308) 2.410 6.765 ( -0.807 0.000 -3.035) 3.141 6.765 ( -0.807 0.000 3.035) 3.141 7.029 ( -2.150 0.000 -5.276) 5.697 7.029 ( -2.150 0.000 5.276) 5.697 7.334 ( -0.372 0.000 -4.260) 4.276 7.334 ( -0.372 0.000 4.260) 4.276 7.569 ( -0.015 0.000 -0.366) 0.367 7.569 ( -0.015 0.000 0.366) 0.367 8.413 ( 1.576 -0.000 -16.816) 16.889 8.413 ( 1.576 -0.000 16.816) 16.889 8.672 ( -2.728 0.000 -1.481) 3.104 8.672 ( -2.728 0.000 1.481) 3.104 13.522 ( 0.254 -0.000 -1.690) 1.709 13.522 ( 0.254 -0.000 1.690) 1.709 15.093 ( -0.181 0.000 -0.455) 0.490 15.093 ( -0.181 0.000 0.455) 0.490 15.518 ( 2.145 -0.000 -12.975) 13.151 15.518 ( 2.145 -0.000 12.975) 13.151 15.583 ( -1.797 0.000 -3.646) 4.065 15.583 ( -1.797 0.000 3.646) 4.065 ======================= Grid point 424 (125/125) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 3.09e-04 3.09e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 -0.433 -7.768) 7.780 1.487 ( 0.000 -0.433 7.768) 7.780 1.491 ( -0.000 0.809 -0.948) 1.246 1.491 ( -0.000 0.809 0.948) 1.246 1.800 ( 0.000 -1.420 -5.816) 5.987 1.800 ( 0.000 -1.420 5.816) 5.987 1.921 ( -0.000 1.294 -5.665) 5.811 1.921 ( -0.000 1.294 5.665) 5.811 2.300 ( -0.000 5.779 -13.060) 14.282 2.300 ( -0.000 5.779 13.060) 14.282 2.721 ( -0.000 10.675 -10.518) 14.986 2.721 ( -0.000 10.675 10.518) 14.986 3.316 ( -0.000 3.608 -7.223) 8.074 3.316 ( -0.000 3.608 7.223) 8.074 3.464 ( -0.000 4.093 -14.167) 14.747 3.464 ( -0.000 4.093 14.167) 14.747 3.549 ( 0.000 -8.290 -12.434) 14.944 3.549 ( 0.000 -8.290 12.434) 14.944 3.913 ( 0.000 -11.491 -6.907) 13.407 3.913 ( 0.000 -11.491 6.907) 13.407 5.475 ( 0.000 -3.926 -3.670) 5.374 5.475 ( 0.000 -3.926 3.670) 5.374 5.598 ( 0.000 -1.672 -1.701) 2.385 5.598 ( 0.000 -1.672 1.701) 2.385 5.738 ( -0.000 0.572 -5.327) 5.357 5.738 ( -0.000 0.572 5.327) 5.357 5.784 ( 0.000 -2.696 -0.391) 2.724 5.784 ( 0.000 -2.696 0.391) 2.724 6.219 ( 0.000 -1.822 -15.051) 15.161 6.219 ( 0.000 -1.822 15.051) 15.161 6.275 ( 0.000 -3.755 -2.173) 4.338 6.275 ( 0.000 -3.755 2.173) 4.338 6.663 ( -0.000 1.437 -3.168) 3.479 6.663 ( -0.000 1.437 3.168) 3.479 6.763 ( 0.000 -0.134 -3.073) 3.076 6.763 ( 0.000 -0.134 3.073) 3.076 7.049 ( 0.000 -2.902 -4.553) 5.399 7.049 ( 0.000 -2.902 4.553) 5.399 7.308 ( -0.000 2.566 -3.223) 4.120 7.308 ( -0.000 2.566 3.223) 4.120 7.546 ( -0.000 2.556 -0.942) 2.724 7.546 ( -0.000 2.556 0.942) 2.724 8.372 ( -0.000 5.060 -16.820) 17.565 8.372 ( -0.000 5.060 16.820) 17.565 8.642 ( -0.000 2.197 -1.656) 2.751 8.642 ( -0.000 2.197 1.656) 2.751 13.539 ( 0.000 -1.785 -1.585) 2.387 13.539 ( 0.000 -1.785 1.585) 2.387 15.109 ( 0.000 -1.714 -1.109) 2.041 15.109 ( 0.000 -1.714 1.109) 2.041 15.494 ( -0.000 3.388 -13.184) 13.612 15.494 ( -0.000 3.388 13.184) 13.612 15.569 ( -0.000 0.687 -2.722) 2.807 15.569 ( -0.000 0.687 2.722) 2.807 =================== 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 3/34992 10.0 199.609 211.340 189.075 0.000 0.000 -0.000 3/34992 20.0 43.893 40.890 39.890 0.000 0.000 -0.000 3/34992 30.0 22.654 20.315 20.055 0.000 0.000 -0.000 3/34992 40.0 14.926 13.317 13.194 0.000 0.000 -0.000 3/34992 50.0 10.923 9.780 9.697 0.000 0.000 -0.000 3/34992 60.0 8.507 7.667 7.596 0.000 0.000 -0.000 3/34992 70.0 6.917 6.283 6.216 0.000 0.000 -0.000 3/34992 80.0 5.808 5.320 5.253 0.000 0.000 -0.000 3/34992 90.0 4.998 4.615 4.549 0.000 0.000 -0.000 3/34992 100.0 4.384 4.080 4.014 0.000 0.000 -0.000 3/34992 110.0 3.905 3.660 3.594 0.000 0.000 -0.000 3/34992 120.0 3.521 3.322 3.258 0.000 0.000 -0.000 3/34992 130.0 3.207 3.044 2.981 0.000 0.000 -0.000 3/34992 140.0 2.945 2.812 2.751 0.000 0.000 -0.000 3/34992 150.0 2.725 2.614 2.555 0.000 0.000 -0.000 3/34992 160.0 2.536 2.443 2.386 0.000 0.000 -0.000 3/34992 170.0 2.372 2.295 2.240 0.000 0.000 -0.000 3/34992 180.0 2.229 2.165 2.111 0.000 0.000 -0.000 3/34992 190.0 2.102 2.049 1.998 0.000 0.000 -0.000 3/34992 200.0 1.990 1.945 1.896 0.000 0.000 -0.000 3/34992 210.0 1.889 1.852 1.805 0.000 0.000 -0.000 3/34992 220.0 1.799 1.768 1.722 0.000 0.000 -0.000 3/34992 230.0 1.717 1.691 1.647 0.000 0.000 -0.000 3/34992 240.0 1.642 1.621 1.579 0.000 0.000 -0.000 3/34992 250.0 1.574 1.557 1.516 0.000 0.000 -0.000 3/34992 260.0 1.511 1.498 1.458 0.000 0.000 -0.000 3/34992 270.0 1.453 1.443 1.404 0.000 0.000 -0.000 3/34992 280.0 1.400 1.392 1.355 0.000 0.000 -0.000 3/34992 290.0 1.350 1.345 1.308 0.000 0.000 -0.000 3/34992 300.0 1.304 1.301 1.265 0.000 0.000 -0.000 3/34992 310.0 1.261 1.259 1.225 0.000 0.000 -0.000 3/34992 320.0 1.221 1.220 1.187 0.000 0.000 -0.000 3/34992 330.0 1.183 1.184 1.152 0.000 0.000 -0.000 3/34992 340.0 1.148 1.150 1.118 0.000 0.000 -0.000 3/34992 350.0 1.115 1.117 1.087 0.000 0.000 -0.000 3/34992 360.0 1.083 1.087 1.057 0.000 0.000 -0.000 3/34992 370.0 1.054 1.058 1.029 0.000 0.000 -0.000 3/34992 380.0 1.026 1.031 1.002 0.000 0.000 -0.000 3/34992 390.0 0.999 1.005 0.977 0.000 0.000 -0.000 3/34992 400.0 0.974 0.980 0.953 0.000 0.000 -0.000 3/34992 410.0 0.950 0.956 0.930 0.000 0.000 -0.000 3/34992 420.0 0.927 0.934 0.908 0.000 0.000 -0.000 3/34992 430.0 0.905 0.912 0.887 0.000 0.000 -0.000 3/34992 440.0 0.885 0.892 0.867 0.000 0.000 -0.000 3/34992 450.0 0.865 0.872 0.848 0.000 0.000 -0.000 3/34992 460.0 0.846 0.854 0.830 0.000 0.000 -0.000 3/34992 470.0 0.828 0.836 0.813 0.000 0.000 -0.000 3/34992 480.0 0.810 0.819 0.796 0.000 0.000 -0.000 3/34992 490.0 0.794 0.802 0.780 0.000 0.000 -0.000 3/34992 500.0 0.778 0.786 0.764 0.000 0.000 -0.000 3/34992 510.0 0.762 0.771 0.750 0.000 0.000 -0.000 3/34992 520.0 0.748 0.756 0.735 0.000 0.000 -0.000 3/34992 530.0 0.734 0.742 0.722 0.000 0.000 -0.000 3/34992 540.0 0.720 0.729 0.708 0.000 0.000 -0.000 3/34992 550.0 0.707 0.716 0.696 0.000 0.000 -0.000 3/34992 560.0 0.694 0.703 0.683 0.000 0.000 -0.000 3/34992 570.0 0.682 0.691 0.672 0.000 0.000 -0.000 3/34992 580.0 0.670 0.679 0.660 0.000 0.000 -0.000 3/34992 590.0 0.659 0.668 0.649 0.000 0.000 -0.000 3/34992 600.0 0.648 0.657 0.638 0.000 0.000 -0.000 3/34992 610.0 0.637 0.646 0.628 0.000 0.000 -0.000 3/34992 620.0 0.627 0.636 0.618 0.000 0.000 -0.000 3/34992 630.0 0.617 0.626 0.608 0.000 0.000 -0.000 3/34992 640.0 0.607 0.616 0.599 0.000 0.000 -0.000 3/34992 650.0 0.598 0.607 0.590 0.000 0.000 -0.000 3/34992 660.0 0.589 0.597 0.581 0.000 0.000 -0.000 3/34992 670.0 0.580 0.589 0.572 0.000 0.000 -0.000 3/34992 680.0 0.571 0.580 0.564 0.000 0.000 -0.000 3/34992 690.0 0.563 0.572 0.556 0.000 0.000 -0.000 3/34992 700.0 0.555 0.564 0.548 0.000 0.000 -0.000 3/34992 710.0 0.547 0.556 0.540 0.000 0.000 -0.000 3/34992 720.0 0.539 0.548 0.533 0.000 0.000 -0.000 3/34992 730.0 0.532 0.541 0.526 0.000 0.000 -0.000 3/34992 740.0 0.525 0.533 0.518 0.000 0.000 -0.000 3/34992 750.0 0.518 0.526 0.512 0.000 0.000 -0.000 3/34992 760.0 0.511 0.519 0.505 0.000 0.000 -0.000 3/34992 770.0 0.504 0.513 0.498 0.000 0.000 -0.000 3/34992 780.0 0.498 0.506 0.492 0.000 0.000 -0.000 3/34992 790.0 0.492 0.500 0.486 0.000 0.000 -0.000 3/34992 800.0 0.485 0.494 0.480 0.000 0.000 -0.000 3/34992 810.0 0.479 0.488 0.474 0.000 0.000 -0.000 3/34992 820.0 0.474 0.482 0.468 0.000 0.000 -0.000 3/34992 830.0 0.468 0.476 0.463 0.000 0.000 -0.000 3/34992 840.0 0.462 0.470 0.457 0.000 0.000 -0.000 3/34992 850.0 0.457 0.465 0.452 0.000 0.000 -0.000 3/34992 860.0 0.452 0.459 0.447 0.000 0.000 -0.000 3/34992 870.0 0.446 0.454 0.441 0.000 0.000 -0.000 3/34992 880.0 0.441 0.449 0.436 0.000 0.000 -0.000 3/34992 890.0 0.436 0.444 0.432 0.000 0.000 -0.000 3/34992 900.0 0.431 0.439 0.427 0.000 0.000 -0.000 3/34992 910.0 0.427 0.434 0.422 0.000 0.000 -0.000 3/34992 920.0 0.422 0.430 0.418 0.000 0.000 -0.000 3/34992 930.0 0.418 0.425 0.413 0.000 0.000 -0.000 3/34992 940.0 0.413 0.420 0.409 0.000 0.000 -0.000 3/34992 950.0 0.409 0.416 0.404 0.000 0.000 -0.000 3/34992 960.0 0.404 0.412 0.400 0.000 0.000 -0.000 3/34992 970.0 0.400 0.408 0.396 0.000 0.000 -0.000 3/34992 980.0 0.396 0.403 0.392 0.000 0.000 -0.000 3/34992 990.0 0.392 0.399 0.388 0.000 0.000 -0.000 3/34992 1000.0 0.388 0.395 0.384 0.000 0.000 -0.000 3/34992 Thermal conductivity related properties were written into "kappa-m998.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:25:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|