----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:17:19]------------------------- 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: [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.888363093406025 -5.501905169999999 0.000000000000000 b 2.888363093406025 5.501905169999999 0.000000000000000 c -0.679828779593465 0.000000000000000 5.413723751479331 Atomic positions (fractional): *1 K 0.73851295328304 0.26148704671696 0.75000000000000 39.098 2 K 0.26148704671696 0.73851295328304 0.25000000000000 39.098 *3 Na 0.42243859567321 0.57756140432679 0.75000000000000 22.990 4 Na 0.57756140432679 0.42243859567321 0.25000000000000 22.990 *5 Ti 0.94705284168708 0.05294715831292 0.25000000000000 47.867 6 Ti 0.05294715831292 0.94705284168708 0.75000000000000 47.867 *7 O 0.19090381218138 0.23867204727569 0.99619960825470 15.999 8 O 0.23867204727569 0.19090381218138 0.49619960825470 15.999 9 O 0.76132795272431 0.80909618781862 0.50380039174530 15.999 10 O 0.80909618781862 0.76132795272431 0.00380039174530 15.999 *11 O 0.21390549463301 0.78609450536699 0.75000000000000 15.999 12 O 0.78609450536699 0.21390549463301 0.25000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.776726186812049 0.000000000000000 0.000000000000000 b 0.000000000000000 11.003810339999998 0.000000000000000 c -0.679828779593465 0.000000000000000 5.413723751479331 Atomic positions (fractional): *1 K 0.00000000000000 0.26148704671696 0.75000000000000 39.098 > 1 2 K 0.50000000000000 0.23851295328304 0.25000000000000 39.098 > 2 3 K 0.50000000000000 0.76148704671696 0.75000000000000 39.098 > 1 4 K 0.00000000000000 0.73851295328304 0.25000000000000 39.098 > 2 *5 Na 0.50000000000000 0.07756140432679 0.75000000000000 22.990 > 3 6 Na 0.00000000000000 0.42243859567321 0.25000000000000 22.990 > 4 7 Na 0.00000000000000 0.57756140432679 0.75000000000000 22.990 > 3 8 Na 0.50000000000000 0.92243859567321 0.25000000000000 22.990 > 4 *9 Ti 0.00000000000000 0.05294715831292 0.25000000000000 47.867 > 5 10 Ti 0.50000000000000 0.44705284168708 0.75000000000000 47.867 > 6 11 Ti 0.50000000000000 0.55294715831292 0.25000000000000 47.867 > 5 12 Ti 0.00000000000000 0.94705284168708 0.75000000000000 47.867 > 6 *13 O 0.21478792972853 0.02388411754715 0.99619960825470 15.999 > 7 14 O 0.71478792972853 0.47611588245285 0.49619960825470 15.999 > 8 15 O 0.78521207027147 0.02388411754715 0.50380039174530 15.999 > 9 16 O 0.28521207027147 0.47611588245285 0.00380039174530 15.999 > 10 *17 O 0.50000000000000 0.28609450536699 0.75000000000000 15.999 > 11 18 O 0.00000000000000 0.21390549463301 0.25000000000000 15.999 > 12 19 O 0.71478792972853 0.52388411754715 0.99619960825470 15.999 > 7 20 O 0.21478792972853 0.97611588245285 0.49619960825470 15.999 > 8 21 O 0.28521207027147 0.52388411754715 0.50380039174530 15.999 > 9 22 O 0.78521207027147 0.97611588245285 0.00380039174530 15.999 > 10 23 O 0.00000000000000 0.78609450536699 0.75000000000000 15.999 > 11 24 O 0.50000000000000 0.71390549463301 0.25000000000000 15.999 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.553452373624099 0.000000000000000 0.000000000000000 b 0.000000000000000 11.003810339999998 0.000000000000000 c -2.039486338780395 0.000000000000000 16.241171254437994 Atomic positions (fractional): *1 K 0.00000000000000 0.26148704671696 0.25000000000000 39.098 > 1 2 K 0.50000000000000 0.26148704671696 0.25000000000000 39.098 > 1 3 K 0.00000000000000 0.26148704671696 0.58333333333333 39.098 > 1 4 K 0.50000000000000 0.26148704671696 0.58333333333333 39.098 > 1 5 K 0.00000000000000 0.26148704671696 0.91666666666667 39.098 > 1 6 K 0.50000000000000 0.26148704671696 0.91666666666667 39.098 > 1 7 K 0.25000000000000 0.23851295328304 0.08333333333333 39.098 > 2 8 K 0.75000000000000 0.23851295328304 0.08333333333333 39.098 > 2 9 K 0.25000000000000 0.23851295328304 0.41666666666667 39.098 > 2 10 K 0.75000000000000 0.23851295328304 0.41666666666667 39.098 > 2 11 K 0.25000000000000 0.23851295328304 0.75000000000000 39.098 > 2 12 K 0.75000000000000 0.23851295328304 0.75000000000000 39.098 > 2 13 K 0.25000000000000 0.76148704671696 0.25000000000000 39.098 > 1 14 K 0.75000000000000 0.76148704671696 0.25000000000000 39.098 > 1 15 K 0.25000000000000 0.76148704671696 0.58333333333333 39.098 > 1 16 K 0.75000000000000 0.76148704671696 0.58333333333333 39.098 > 1 17 K 0.25000000000000 0.76148704671696 0.91666666666667 39.098 > 1 18 K 0.75000000000000 0.76148704671696 0.91666666666667 39.098 > 1 19 K 0.00000000000000 0.73851295328304 0.08333333333333 39.098 > 2 20 K 0.50000000000000 0.73851295328304 0.08333333333333 39.098 > 2 21 K 0.00000000000000 0.73851295328304 0.41666666666667 39.098 > 2 22 K 0.50000000000000 0.73851295328304 0.41666666666667 39.098 > 2 23 K 0.00000000000000 0.73851295328304 0.75000000000000 39.098 > 2 24 K 0.50000000000000 0.73851295328304 0.75000000000000 39.098 > 2 *25 Na 0.25000000000000 0.07756140432679 0.25000000000000 22.990 > 3 26 Na 0.75000000000000 0.07756140432679 0.25000000000000 22.990 > 3 27 Na 0.25000000000000 0.07756140432679 0.58333333333333 22.990 > 3 28 Na 0.75000000000000 0.07756140432679 0.58333333333333 22.990 > 3 29 Na 0.25000000000000 0.07756140432679 0.91666666666667 22.990 > 3 30 Na 0.75000000000000 0.07756140432679 0.91666666666667 22.990 > 3 31 Na 0.00000000000000 0.42243859567321 0.08333333333333 22.990 > 4 32 Na 0.50000000000000 0.42243859567321 0.08333333333333 22.990 > 4 33 Na 0.00000000000000 0.42243859567321 0.41666666666667 22.990 > 4 34 Na 0.50000000000000 0.42243859567321 0.41666666666667 22.990 > 4 35 Na 0.00000000000000 0.42243859567321 0.75000000000000 22.990 > 4 36 Na 0.50000000000000 0.42243859567321 0.75000000000000 22.990 > 4 37 Na 0.00000000000000 0.57756140432679 0.25000000000000 22.990 > 3 38 Na 0.50000000000000 0.57756140432679 0.25000000000000 22.990 > 3 39 Na 0.00000000000000 0.57756140432679 0.58333333333333 22.990 > 3 40 Na 0.50000000000000 0.57756140432679 0.58333333333333 22.990 > 3 41 Na 0.00000000000000 0.57756140432679 0.91666666666667 22.990 > 3 42 Na 0.50000000000000 0.57756140432679 0.91666666666667 22.990 > 3 43 Na 0.25000000000000 0.92243859567321 0.08333333333333 22.990 > 4 44 Na 0.75000000000000 0.92243859567321 0.08333333333333 22.990 > 4 45 Na 0.25000000000000 0.92243859567321 0.41666666666667 22.990 > 4 46 Na 0.75000000000000 0.92243859567321 0.41666666666667 22.990 > 4 47 Na 0.25000000000000 0.92243859567321 0.75000000000000 22.990 > 4 48 Na 0.75000000000000 0.92243859567321 0.75000000000000 22.990 > 4 *49 Ti 0.00000000000000 0.05294715831292 0.08333333333333 47.867 > 5 50 Ti 0.50000000000000 0.05294715831292 0.08333333333333 47.867 > 5 51 Ti 0.00000000000000 0.05294715831292 0.41666666666667 47.867 > 5 52 Ti 0.50000000000000 0.05294715831292 0.41666666666667 47.867 > 5 53 Ti 0.00000000000000 0.05294715831292 0.75000000000000 47.867 > 5 54 Ti 0.50000000000000 0.05294715831292 0.75000000000000 47.867 > 5 55 Ti 0.25000000000000 0.44705284168708 0.25000000000000 47.867 > 6 56 Ti 0.75000000000000 0.44705284168708 0.25000000000000 47.867 > 6 57 Ti 0.25000000000000 0.44705284168708 0.58333333333333 47.867 > 6 58 Ti 0.75000000000000 0.44705284168708 0.58333333333333 47.867 > 6 59 Ti 0.25000000000000 0.44705284168708 0.91666666666667 47.867 > 6 60 Ti 0.75000000000000 0.44705284168708 0.91666666666667 47.867 > 6 61 Ti 0.25000000000000 0.55294715831292 0.08333333333333 47.867 > 5 62 Ti 0.75000000000000 0.55294715831292 0.08333333333333 47.867 > 5 63 Ti 0.25000000000000 0.55294715831292 0.41666666666667 47.867 > 5 64 Ti 0.75000000000000 0.55294715831292 0.41666666666667 47.867 > 5 65 Ti 0.25000000000000 0.55294715831292 0.75000000000000 47.867 > 5 66 Ti 0.75000000000000 0.55294715831292 0.75000000000000 47.867 > 5 67 Ti 0.00000000000000 0.94705284168708 0.25000000000000 47.867 > 6 68 Ti 0.50000000000000 0.94705284168708 0.25000000000000 47.867 > 6 69 Ti 0.00000000000000 0.94705284168708 0.58333333333333 47.867 > 6 70 Ti 0.50000000000000 0.94705284168708 0.58333333333333 47.867 > 6 71 Ti 0.00000000000000 0.94705284168708 0.91666666666667 47.867 > 6 72 Ti 0.50000000000000 0.94705284168708 0.91666666666667 47.867 > 6 *73 O 0.10739396486427 0.02388411754715 0.33206653608490 15.999 > 7 74 O 0.60739396486427 0.02388411754715 0.33206653608490 15.999 > 7 75 O 0.10739396486427 0.02388411754715 0.66539986941823 15.999 > 7 76 O 0.60739396486427 0.02388411754715 0.66539986941823 15.999 > 7 77 O 0.10739396486427 0.02388411754715 0.99873320275157 15.999 > 7 78 O 0.60739396486427 0.02388411754715 0.99873320275157 15.999 > 7 79 O 0.35739396486427 0.47611588245285 0.16539986941823 15.999 > 8 80 O 0.85739396486427 0.47611588245285 0.16539986941823 15.999 > 8 81 O 0.35739396486427 0.47611588245285 0.49873320275157 15.999 > 8 82 O 0.85739396486427 0.47611588245285 0.49873320275157 15.999 > 8 83 O 0.35739396486427 0.47611588245285 0.83206653608490 15.999 > 8 84 O 0.85739396486427 0.47611588245285 0.83206653608490 15.999 > 8 85 O 0.39260603513573 0.02388411754715 0.16793346391510 15.999 > 9 86 O 0.89260603513573 0.02388411754715 0.16793346391510 15.999 > 9 87 O 0.39260603513573 0.02388411754715 0.50126679724843 15.999 > 9 88 O 0.89260603513573 0.02388411754715 0.50126679724843 15.999 > 9 89 O 0.39260603513573 0.02388411754715 0.83460013058177 15.999 > 9 90 O 0.89260603513573 0.02388411754715 0.83460013058177 15.999 > 9 91 O 0.14260603513573 0.47611588245285 0.00126679724843 15.999 > 10 92 O 0.64260603513573 0.47611588245285 0.00126679724843 15.999 > 10 93 O 0.14260603513573 0.47611588245285 0.33460013058177 15.999 > 10 94 O 0.64260603513573 0.47611588245285 0.33460013058177 15.999 > 10 95 O 0.14260603513573 0.47611588245285 0.66793346391510 15.999 > 10 96 O 0.64260603513573 0.47611588245285 0.66793346391510 15.999 > 10 *97 O 0.25000000000000 0.28609450536699 0.25000000000000 15.999 > 11 98 O 0.75000000000000 0.28609450536699 0.25000000000000 15.999 > 11 99 O 0.25000000000000 0.28609450536699 0.58333333333333 15.999 > 11 100 O 0.75000000000000 0.28609450536699 0.58333333333333 15.999 > 11 101 O 0.25000000000000 0.28609450536699 0.91666666666667 15.999 > 11 102 O 0.75000000000000 0.28609450536699 0.91666666666667 15.999 > 11 103 O 0.00000000000000 0.21390549463301 0.08333333333333 15.999 > 12 104 O 0.50000000000000 0.21390549463301 0.08333333333333 15.999 > 12 105 O 0.00000000000000 0.21390549463301 0.41666666666667 15.999 > 12 106 O 0.50000000000000 0.21390549463301 0.41666666666667 15.999 > 12 107 O 0.00000000000000 0.21390549463301 0.75000000000000 15.999 > 12 108 O 0.50000000000000 0.21390549463301 0.75000000000000 15.999 > 12 109 O 0.35739396486427 0.52388411754715 0.33206653608490 15.999 > 7 110 O 0.85739396486427 0.52388411754715 0.33206653608490 15.999 > 7 111 O 0.35739396486427 0.52388411754715 0.66539986941823 15.999 > 7 112 O 0.85739396486427 0.52388411754715 0.66539986941823 15.999 > 7 113 O 0.35739396486427 0.52388411754715 0.99873320275157 15.999 > 7 114 O 0.85739396486427 0.52388411754715 0.99873320275157 15.999 > 7 115 O 0.10739396486427 0.97611588245285 0.16539986941823 15.999 > 8 116 O 0.60739396486427 0.97611588245285 0.16539986941823 15.999 > 8 117 O 0.10739396486427 0.97611588245285 0.49873320275157 15.999 > 8 118 O 0.60739396486427 0.97611588245285 0.49873320275157 15.999 > 8 119 O 0.10739396486427 0.97611588245285 0.83206653608490 15.999 > 8 120 O 0.60739396486427 0.97611588245285 0.83206653608490 15.999 > 8 121 O 0.14260603513573 0.52388411754715 0.16793346391510 15.999 > 9 122 O 0.64260603513573 0.52388411754715 0.16793346391510 15.999 > 9 123 O 0.14260603513573 0.52388411754715 0.50126679724843 15.999 > 9 124 O 0.64260603513573 0.52388411754715 0.50126679724843 15.999 > 9 125 O 0.14260603513573 0.52388411754715 0.83460013058177 15.999 > 9 126 O 0.64260603513573 0.52388411754715 0.83460013058177 15.999 > 9 127 O 0.39260603513573 0.97611588245285 0.00126679724843 15.999 > 10 128 O 0.89260603513573 0.97611588245285 0.00126679724843 15.999 > 10 129 O 0.39260603513573 0.97611588245285 0.33460013058177 15.999 > 10 130 O 0.89260603513573 0.97611588245285 0.33460013058177 15.999 > 10 131 O 0.39260603513573 0.97611588245285 0.66793346391510 15.999 > 10 132 O 0.89260603513573 0.97611588245285 0.66793346391510 15.999 > 10 133 O 0.00000000000000 0.78609450536699 0.25000000000000 15.999 > 11 134 O 0.50000000000000 0.78609450536699 0.25000000000000 15.999 > 11 135 O 0.00000000000000 0.78609450536699 0.58333333333333 15.999 > 11 136 O 0.50000000000000 0.78609450536699 0.58333333333333 15.999 > 11 137 O 0.00000000000000 0.78609450536699 0.91666666666667 15.999 > 11 138 O 0.50000000000000 0.78609450536699 0.91666666666667 15.999 > 11 139 O 0.25000000000000 0.71390549463301 0.08333333333333 15.999 > 12 140 O 0.75000000000000 0.71390549463301 0.08333333333333 15.999 > 12 141 O 0.25000000000000 0.71390549463301 0.41666666666667 15.999 > 12 142 O 0.75000000000000 0.71390549463301 0.41666666666667 15.999 > 12 143 O 0.25000000000000 0.71390549463301 0.75000000000000 15.999 > 12 144 O 0.75000000000000 0.71390549463301 0.75000000000000 15.999 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9077681 0.0000000 -0.1225814 0.0000000 3.2533405 0.0000000 -0.1225810 0.0000000 3.8539888 -------------------------- Born effective charges -------------------------- 1 K 1.1899462 0.0000000 0.0233984 0.0000000 1.2298661 0.0000000 0.0257731 0.0000000 1.1962513 2 K 1.1899462 0.0000000 0.0233984 0.0000000 1.2298661 0.0000000 0.0257731 0.0000000 1.1962513 3 Na 1.3316695 0.0000000 0.0138914 0.0000000 1.0853573 0.0000000 0.0404873 0.0000000 0.9686849 4 Na 1.3316695 0.0000000 0.0138914 0.0000000 1.0853573 0.0000000 0.0404873 0.0000000 0.9686849 5 Ti 2.3381237 0.0000000 -0.5030115 0.0000000 3.0762677 0.0000000 -0.5903394 0.0000000 5.3405109 6 Ti 2.3381237 0.0000000 -0.5030115 0.0000000 3.0762677 0.0000000 -0.5903394 0.0000000 5.3405109 7 O -1.8542161 -0.1330640 0.1870999 -0.2370444 -1.1850787 -0.5329784 0.1601644 -0.9128960 -3.1205190 8 O -1.8542161 0.1330640 0.1870999 0.2370444 -1.1850787 0.5329784 0.1601644 0.9128960 -3.1205190 9 O -1.8542161 0.1330640 0.1870999 0.2370444 -1.1850787 0.5329784 0.1601644 0.9128960 -3.1205190 10 O -1.8542161 -0.1330640 0.1870999 -0.2370444 -1.1850787 -0.5329784 0.1601644 -0.9128960 -3.1205190 11 O -1.1513072 0.0000000 0.0915219 0.0000000 -3.0213337 0.0000000 0.2037502 0.0000000 -1.2644091 12 O -1.1513072 0.0000000 0.0915219 0.0000000 -3.0213337 0.0000000 0.2037502 0.0000000 -1.2644091 ---------------------------------------------------------------------------- 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: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2086 Number of blocks in projector: 2086 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: 464 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (2086, 2058), data: False |-- (274, 269), data: True |-- (274, 269), data: True |-- (274, 269), data: True |-- (400, 398), data: True |-- (400, 398), data: True |-- (464, 455), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.853 Solver_block: 200 / 400 - Time: 0.708 Solver_block: 300 / 400 - Time: 0.724 Solver_block: 400 / 400 - Time: 0.740 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.259 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2086 Number of blocks in projector: 2086 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: 464 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (2086, 2058), data: False |-- (274, 269), data: True |-- (274, 269), data: True |-- (274, 269), data: True |-- (400, 398), data: True |-- (400, 398), data: True |-- (464, 455), 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 16:17:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:17:47]------------------------- 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): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.888363093406025 -5.501905169999999 0.000000000000000 b 2.888363093406025 5.501905169999999 0.000000000000000 c -0.679828779593465 0.000000000000000 5.413723751479331 Atomic positions (fractional): 1 K 0.73851295328304 0.26148704671696 0.75000000000000 39.098 2 K 0.26148704671696 0.73851295328304 0.25000000000000 39.098 3 Na 0.42243859567321 0.57756140432679 0.75000000000000 22.990 4 Na 0.57756140432679 0.42243859567321 0.25000000000000 22.990 5 Ti 0.94705284168708 0.05294715831292 0.25000000000000 47.867 6 Ti 0.05294715831292 0.94705284168708 0.75000000000000 47.867 7 O 0.19090381218138 0.23867204727569 0.99619960825470 15.999 8 O 0.23867204727569 0.19090381218138 0.49619960825470 15.999 9 O 0.76132795272431 0.80909618781862 0.50380039174530 15.999 10 O 0.80909618781862 0.76132795272431 0.00380039174530 15.999 11 O 0.21390549463301 0.78609450536699 0.75000000000000 15.999 12 O 0.78609450536699 0.21390549463301 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.553452373624099 0.000000000000000 0.000000000000000 b 0.000000000000000 11.003810339999998 0.000000000000000 c -2.039486338780395 0.000000000000000 16.241171254437994 Atomic positions (fractional): 1 K 0.00000000000000 0.26148704671696 0.25000000000000 39.098 > 1 2 K 0.50000000000000 0.26148704671696 0.25000000000000 39.098 > 1 3 K 0.00000000000000 0.26148704671696 0.58333333333333 39.098 > 1 4 K 0.50000000000000 0.26148704671696 0.58333333333333 39.098 > 1 5 K 0.00000000000000 0.26148704671696 0.91666666666667 39.098 > 1 6 K 0.50000000000000 0.26148704671696 0.91666666666667 39.098 > 1 7 K 0.25000000000000 0.23851295328304 0.08333333333333 39.098 > 7 8 K 0.75000000000000 0.23851295328304 0.08333333333333 39.098 > 7 9 K 0.25000000000000 0.23851295328304 0.41666666666667 39.098 > 7 10 K 0.75000000000000 0.23851295328304 0.41666666666667 39.098 > 7 11 K 0.25000000000000 0.23851295328304 0.75000000000000 39.098 > 7 12 K 0.75000000000000 0.23851295328304 0.75000000000000 39.098 > 7 13 K 0.25000000000000 0.76148704671696 0.25000000000000 39.098 > 1 14 K 0.75000000000000 0.76148704671696 0.25000000000000 39.098 > 1 15 K 0.25000000000000 0.76148704671696 0.58333333333333 39.098 > 1 16 K 0.75000000000000 0.76148704671696 0.58333333333333 39.098 > 1 17 K 0.25000000000000 0.76148704671696 0.91666666666667 39.098 > 1 18 K 0.75000000000000 0.76148704671696 0.91666666666667 39.098 > 1 19 K 0.00000000000000 0.73851295328304 0.08333333333333 39.098 > 7 20 K 0.50000000000000 0.73851295328304 0.08333333333333 39.098 > 7 21 K 0.00000000000000 0.73851295328304 0.41666666666667 39.098 > 7 22 K 0.50000000000000 0.73851295328304 0.41666666666667 39.098 > 7 23 K 0.00000000000000 0.73851295328304 0.75000000000000 39.098 > 7 24 K 0.50000000000000 0.73851295328304 0.75000000000000 39.098 > 7 25 Na 0.25000000000000 0.07756140432679 0.25000000000000 22.990 > 25 26 Na 0.75000000000000 0.07756140432679 0.25000000000000 22.990 > 25 27 Na 0.25000000000000 0.07756140432679 0.58333333333333 22.990 > 25 28 Na 0.75000000000000 0.07756140432679 0.58333333333333 22.990 > 25 29 Na 0.25000000000000 0.07756140432679 0.91666666666667 22.990 > 25 30 Na 0.75000000000000 0.07756140432679 0.91666666666667 22.990 > 25 31 Na 0.00000000000000 0.42243859567321 0.08333333333333 22.990 > 31 32 Na 0.50000000000000 0.42243859567321 0.08333333333333 22.990 > 31 33 Na 0.00000000000000 0.42243859567321 0.41666666666667 22.990 > 31 34 Na 0.50000000000000 0.42243859567321 0.41666666666667 22.990 > 31 35 Na 0.00000000000000 0.42243859567321 0.75000000000000 22.990 > 31 36 Na 0.50000000000000 0.42243859567321 0.75000000000000 22.990 > 31 37 Na 0.00000000000000 0.57756140432679 0.25000000000000 22.990 > 25 38 Na 0.50000000000000 0.57756140432679 0.25000000000000 22.990 > 25 39 Na 0.00000000000000 0.57756140432679 0.58333333333333 22.990 > 25 40 Na 0.50000000000000 0.57756140432679 0.58333333333333 22.990 > 25 41 Na 0.00000000000000 0.57756140432679 0.91666666666667 22.990 > 25 42 Na 0.50000000000000 0.57756140432679 0.91666666666667 22.990 > 25 43 Na 0.25000000000000 0.92243859567321 0.08333333333333 22.990 > 31 44 Na 0.75000000000000 0.92243859567321 0.08333333333333 22.990 > 31 45 Na 0.25000000000000 0.92243859567321 0.41666666666667 22.990 > 31 46 Na 0.75000000000000 0.92243859567321 0.41666666666667 22.990 > 31 47 Na 0.25000000000000 0.92243859567321 0.75000000000000 22.990 > 31 48 Na 0.75000000000000 0.92243859567321 0.75000000000000 22.990 > 31 49 Ti 0.00000000000000 0.05294715831292 0.08333333333333 47.867 > 49 50 Ti 0.50000000000000 0.05294715831292 0.08333333333333 47.867 > 49 51 Ti 0.00000000000000 0.05294715831292 0.41666666666667 47.867 > 49 52 Ti 0.50000000000000 0.05294715831292 0.41666666666667 47.867 > 49 53 Ti 0.00000000000000 0.05294715831292 0.75000000000000 47.867 > 49 54 Ti 0.50000000000000 0.05294715831292 0.75000000000000 47.867 > 49 55 Ti 0.25000000000000 0.44705284168708 0.25000000000000 47.867 > 55 56 Ti 0.75000000000000 0.44705284168708 0.25000000000000 47.867 > 55 57 Ti 0.25000000000000 0.44705284168708 0.58333333333333 47.867 > 55 58 Ti 0.75000000000000 0.44705284168708 0.58333333333333 47.867 > 55 59 Ti 0.25000000000000 0.44705284168708 0.91666666666667 47.867 > 55 60 Ti 0.75000000000000 0.44705284168708 0.91666666666667 47.867 > 55 61 Ti 0.25000000000000 0.55294715831292 0.08333333333333 47.867 > 49 62 Ti 0.75000000000000 0.55294715831292 0.08333333333333 47.867 > 49 63 Ti 0.25000000000000 0.55294715831292 0.41666666666667 47.867 > 49 64 Ti 0.75000000000000 0.55294715831292 0.41666666666667 47.867 > 49 65 Ti 0.25000000000000 0.55294715831292 0.75000000000000 47.867 > 49 66 Ti 0.75000000000000 0.55294715831292 0.75000000000000 47.867 > 49 67 Ti 0.00000000000000 0.94705284168708 0.25000000000000 47.867 > 55 68 Ti 0.50000000000000 0.94705284168708 0.25000000000000 47.867 > 55 69 Ti 0.00000000000000 0.94705284168708 0.58333333333333 47.867 > 55 70 Ti 0.50000000000000 0.94705284168708 0.58333333333333 47.867 > 55 71 Ti 0.00000000000000 0.94705284168708 0.91666666666667 47.867 > 55 72 Ti 0.50000000000000 0.94705284168708 0.91666666666667 47.867 > 55 73 O 0.10739396486427 0.02388411754715 0.33206653608490 15.999 > 73 74 O 0.60739396486427 0.02388411754715 0.33206653608490 15.999 > 73 75 O 0.10739396486427 0.02388411754715 0.66539986941823 15.999 > 73 76 O 0.60739396486427 0.02388411754715 0.66539986941823 15.999 > 73 77 O 0.10739396486427 0.02388411754715 0.99873320275157 15.999 > 73 78 O 0.60739396486427 0.02388411754715 0.99873320275157 15.999 > 73 79 O 0.35739396486427 0.47611588245285 0.16539986941823 15.999 > 79 80 O 0.85739396486427 0.47611588245285 0.16539986941823 15.999 > 79 81 O 0.35739396486427 0.47611588245285 0.49873320275157 15.999 > 79 82 O 0.85739396486427 0.47611588245285 0.49873320275157 15.999 > 79 83 O 0.35739396486427 0.47611588245285 0.83206653608490 15.999 > 79 84 O 0.85739396486427 0.47611588245285 0.83206653608490 15.999 > 79 85 O 0.39260603513573 0.02388411754715 0.16793346391510 15.999 > 85 86 O 0.89260603513573 0.02388411754715 0.16793346391510 15.999 > 85 87 O 0.39260603513573 0.02388411754715 0.50126679724843 15.999 > 85 88 O 0.89260603513573 0.02388411754715 0.50126679724843 15.999 > 85 89 O 0.39260603513573 0.02388411754715 0.83460013058177 15.999 > 85 90 O 0.89260603513573 0.02388411754715 0.83460013058177 15.999 > 85 91 O 0.14260603513573 0.47611588245285 0.00126679724843 15.999 > 91 92 O 0.64260603513573 0.47611588245285 0.00126679724843 15.999 > 91 93 O 0.14260603513573 0.47611588245285 0.33460013058177 15.999 > 91 94 O 0.64260603513573 0.47611588245285 0.33460013058177 15.999 > 91 95 O 0.14260603513573 0.47611588245285 0.66793346391510 15.999 > 91 96 O 0.64260603513573 0.47611588245285 0.66793346391510 15.999 > 91 97 O 0.25000000000000 0.28609450536699 0.25000000000000 15.999 > 97 98 O 0.75000000000000 0.28609450536699 0.25000000000000 15.999 > 97 99 O 0.25000000000000 0.28609450536699 0.58333333333333 15.999 > 97 100 O 0.75000000000000 0.28609450536699 0.58333333333333 15.999 > 97 101 O 0.25000000000000 0.28609450536699 0.91666666666667 15.999 > 97 102 O 0.75000000000000 0.28609450536699 0.91666666666667 15.999 > 97 103 O 0.00000000000000 0.21390549463301 0.08333333333333 15.999 > 103 104 O 0.50000000000000 0.21390549463301 0.08333333333333 15.999 > 103 105 O 0.00000000000000 0.21390549463301 0.41666666666667 15.999 > 103 106 O 0.50000000000000 0.21390549463301 0.41666666666667 15.999 > 103 107 O 0.00000000000000 0.21390549463301 0.75000000000000 15.999 > 103 108 O 0.50000000000000 0.21390549463301 0.75000000000000 15.999 > 103 109 O 0.35739396486427 0.52388411754715 0.33206653608490 15.999 > 73 110 O 0.85739396486427 0.52388411754715 0.33206653608490 15.999 > 73 111 O 0.35739396486427 0.52388411754715 0.66539986941823 15.999 > 73 112 O 0.85739396486427 0.52388411754715 0.66539986941823 15.999 > 73 113 O 0.35739396486427 0.52388411754715 0.99873320275157 15.999 > 73 114 O 0.85739396486427 0.52388411754715 0.99873320275157 15.999 > 73 115 O 0.10739396486427 0.97611588245285 0.16539986941823 15.999 > 79 116 O 0.60739396486427 0.97611588245285 0.16539986941823 15.999 > 79 117 O 0.10739396486427 0.97611588245285 0.49873320275157 15.999 > 79 118 O 0.60739396486427 0.97611588245285 0.49873320275157 15.999 > 79 119 O 0.10739396486427 0.97611588245285 0.83206653608490 15.999 > 79 120 O 0.60739396486427 0.97611588245285 0.83206653608490 15.999 > 79 121 O 0.14260603513573 0.52388411754715 0.16793346391510 15.999 > 85 122 O 0.64260603513573 0.52388411754715 0.16793346391510 15.999 > 85 123 O 0.14260603513573 0.52388411754715 0.50126679724843 15.999 > 85 124 O 0.64260603513573 0.52388411754715 0.50126679724843 15.999 > 85 125 O 0.14260603513573 0.52388411754715 0.83460013058177 15.999 > 85 126 O 0.64260603513573 0.52388411754715 0.83460013058177 15.999 > 85 127 O 0.39260603513573 0.97611588245285 0.00126679724843 15.999 > 91 128 O 0.89260603513573 0.97611588245285 0.00126679724843 15.999 > 91 129 O 0.39260603513573 0.97611588245285 0.33460013058177 15.999 > 91 130 O 0.89260603513573 0.97611588245285 0.33460013058177 15.999 > 91 131 O 0.39260603513573 0.97611588245285 0.66793346391510 15.999 > 91 132 O 0.89260603513573 0.97611588245285 0.66793346391510 15.999 > 91 133 O 0.00000000000000 0.78609450536699 0.25000000000000 15.999 > 97 134 O 0.50000000000000 0.78609450536699 0.25000000000000 15.999 > 97 135 O 0.00000000000000 0.78609450536699 0.58333333333333 15.999 > 97 136 O 0.50000000000000 0.78609450536699 0.58333333333333 15.999 > 97 137 O 0.00000000000000 0.78609450536699 0.91666666666667 15.999 > 97 138 O 0.50000000000000 0.78609450536699 0.91666666666667 15.999 > 97 139 O 0.25000000000000 0.71390549463301 0.08333333333333 15.999 > 103 140 O 0.75000000000000 0.71390549463301 0.08333333333333 15.999 > 103 141 O 0.25000000000000 0.71390549463301 0.41666666666667 15.999 > 103 142 O 0.75000000000000 0.71390549463301 0.41666666666667 15.999 > 103 143 O 0.25000000000000 0.71390549463301 0.75000000000000 15.999 > 103 144 O 0.75000000000000 0.71390549463301 0.75000000000000 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9077681 0.0000000 -0.1225814 0.0000000 3.2533405 0.0000000 -0.1225810 0.0000000 3.8539888 -------------------------- Born effective charges -------------------------- 1 K 1.1899462 0.0000000 0.0233984 0.0000000 1.2298661 0.0000000 0.0257731 0.0000000 1.1962513 2 K 1.1899462 0.0000000 0.0233984 0.0000000 1.2298661 0.0000000 0.0257731 0.0000000 1.1962513 3 Na 1.3316695 0.0000000 0.0138914 0.0000000 1.0853573 0.0000000 0.0404873 0.0000000 0.9686849 4 Na 1.3316695 0.0000000 0.0138914 0.0000000 1.0853573 0.0000000 0.0404873 0.0000000 0.9686849 5 Ti 2.3381237 0.0000000 -0.5030115 0.0000000 3.0762677 0.0000000 -0.5903394 0.0000000 5.3405109 6 Ti 2.3381237 0.0000000 -0.5030115 0.0000000 3.0762677 0.0000000 -0.5903394 0.0000000 5.3405109 7 O -1.8542161 -0.1330640 0.1870999 -0.2370444 -1.1850787 -0.5329784 0.1601644 -0.9128960 -3.1205190 8 O -1.8542161 0.1330640 0.1870999 0.2370444 -1.1850787 0.5329784 0.1601644 0.9128960 -3.1205190 9 O -1.8542161 0.1330640 0.1870999 0.2370444 -1.1850787 0.5329784 0.1601644 0.9128960 -3.1205190 10 O -1.8542161 -0.1330640 0.1870999 -0.2370444 -1.1850787 -0.5329784 0.1601644 -0.9128960 -3.1205190 11 O -1.1513072 0.0000000 0.0915219 0.0000000 -3.0213337 0.0000000 0.2037502 0.0000000 -1.2644091 12 O -1.1513072 0.0000000 0.0915219 0.0000000 -3.0213337 0.0000000 0.2037502 0.0000000 -1.2644091 ---------------------------------------------------------------------------- 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 73, 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:18:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:18:16]------------------------- 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): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.888363093406025 -5.501905169999999 0.000000000000000 b 2.888363093406025 5.501905169999999 0.000000000000000 c -0.679828779593465 0.000000000000000 5.413723751479331 Atomic positions (fractional): 1 K 0.73851295328304 0.26148704671696 0.75000000000000 39.098 2 K 0.26148704671696 0.73851295328304 0.25000000000000 39.098 3 Na 0.42243859567321 0.57756140432679 0.75000000000000 22.990 4 Na 0.57756140432679 0.42243859567321 0.25000000000000 22.990 5 Ti 0.94705284168708 0.05294715831292 0.25000000000000 47.867 6 Ti 0.05294715831292 0.94705284168708 0.75000000000000 47.867 7 O 0.19090381218138 0.23867204727569 0.99619960825470 15.999 8 O 0.23867204727569 0.19090381218138 0.49619960825470 15.999 9 O 0.76132795272431 0.80909618781862 0.50380039174530 15.999 10 O 0.80909618781862 0.76132795272431 0.00380039174530 15.999 11 O 0.21390549463301 0.78609450536699 0.75000000000000 15.999 12 O 0.78609450536699 0.21390549463301 0.25000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.553452373624099 0.000000000000000 0.000000000000000 b 0.000000000000000 11.003810339999998 0.000000000000000 c -2.039486338780395 0.000000000000000 16.241171254437994 Atomic positions (fractional): 1 K 0.00000000000000 0.26148704671696 0.25000000000000 39.098 > 1 2 K 0.50000000000000 0.26148704671696 0.25000000000000 39.098 > 1 3 K 0.00000000000000 0.26148704671696 0.58333333333333 39.098 > 1 4 K 0.50000000000000 0.26148704671696 0.58333333333333 39.098 > 1 5 K 0.00000000000000 0.26148704671696 0.91666666666667 39.098 > 1 6 K 0.50000000000000 0.26148704671696 0.91666666666667 39.098 > 1 7 K 0.25000000000000 0.23851295328304 0.08333333333333 39.098 > 7 8 K 0.75000000000000 0.23851295328304 0.08333333333333 39.098 > 7 9 K 0.25000000000000 0.23851295328304 0.41666666666667 39.098 > 7 10 K 0.75000000000000 0.23851295328304 0.41666666666667 39.098 > 7 11 K 0.25000000000000 0.23851295328304 0.75000000000000 39.098 > 7 12 K 0.75000000000000 0.23851295328304 0.75000000000000 39.098 > 7 13 K 0.25000000000000 0.76148704671696 0.25000000000000 39.098 > 1 14 K 0.75000000000000 0.76148704671696 0.25000000000000 39.098 > 1 15 K 0.25000000000000 0.76148704671696 0.58333333333333 39.098 > 1 16 K 0.75000000000000 0.76148704671696 0.58333333333333 39.098 > 1 17 K 0.25000000000000 0.76148704671696 0.91666666666667 39.098 > 1 18 K 0.75000000000000 0.76148704671696 0.91666666666667 39.098 > 1 19 K 0.00000000000000 0.73851295328304 0.08333333333333 39.098 > 7 20 K 0.50000000000000 0.73851295328304 0.08333333333333 39.098 > 7 21 K 0.00000000000000 0.73851295328304 0.41666666666667 39.098 > 7 22 K 0.50000000000000 0.73851295328304 0.41666666666667 39.098 > 7 23 K 0.00000000000000 0.73851295328304 0.75000000000000 39.098 > 7 24 K 0.50000000000000 0.73851295328304 0.75000000000000 39.098 > 7 25 Na 0.25000000000000 0.07756140432679 0.25000000000000 22.990 > 25 26 Na 0.75000000000000 0.07756140432679 0.25000000000000 22.990 > 25 27 Na 0.25000000000000 0.07756140432679 0.58333333333333 22.990 > 25 28 Na 0.75000000000000 0.07756140432679 0.58333333333333 22.990 > 25 29 Na 0.25000000000000 0.07756140432679 0.91666666666667 22.990 > 25 30 Na 0.75000000000000 0.07756140432679 0.91666666666667 22.990 > 25 31 Na 0.00000000000000 0.42243859567321 0.08333333333333 22.990 > 31 32 Na 0.50000000000000 0.42243859567321 0.08333333333333 22.990 > 31 33 Na 0.00000000000000 0.42243859567321 0.41666666666667 22.990 > 31 34 Na 0.50000000000000 0.42243859567321 0.41666666666667 22.990 > 31 35 Na 0.00000000000000 0.42243859567321 0.75000000000000 22.990 > 31 36 Na 0.50000000000000 0.42243859567321 0.75000000000000 22.990 > 31 37 Na 0.00000000000000 0.57756140432679 0.25000000000000 22.990 > 25 38 Na 0.50000000000000 0.57756140432679 0.25000000000000 22.990 > 25 39 Na 0.00000000000000 0.57756140432679 0.58333333333333 22.990 > 25 40 Na 0.50000000000000 0.57756140432679 0.58333333333333 22.990 > 25 41 Na 0.00000000000000 0.57756140432679 0.91666666666667 22.990 > 25 42 Na 0.50000000000000 0.57756140432679 0.91666666666667 22.990 > 25 43 Na 0.25000000000000 0.92243859567321 0.08333333333333 22.990 > 31 44 Na 0.75000000000000 0.92243859567321 0.08333333333333 22.990 > 31 45 Na 0.25000000000000 0.92243859567321 0.41666666666667 22.990 > 31 46 Na 0.75000000000000 0.92243859567321 0.41666666666667 22.990 > 31 47 Na 0.25000000000000 0.92243859567321 0.75000000000000 22.990 > 31 48 Na 0.75000000000000 0.92243859567321 0.75000000000000 22.990 > 31 49 Ti 0.00000000000000 0.05294715831292 0.08333333333333 47.867 > 49 50 Ti 0.50000000000000 0.05294715831292 0.08333333333333 47.867 > 49 51 Ti 0.00000000000000 0.05294715831292 0.41666666666667 47.867 > 49 52 Ti 0.50000000000000 0.05294715831292 0.41666666666667 47.867 > 49 53 Ti 0.00000000000000 0.05294715831292 0.75000000000000 47.867 > 49 54 Ti 0.50000000000000 0.05294715831292 0.75000000000000 47.867 > 49 55 Ti 0.25000000000000 0.44705284168708 0.25000000000000 47.867 > 55 56 Ti 0.75000000000000 0.44705284168708 0.25000000000000 47.867 > 55 57 Ti 0.25000000000000 0.44705284168708 0.58333333333333 47.867 > 55 58 Ti 0.75000000000000 0.44705284168708 0.58333333333333 47.867 > 55 59 Ti 0.25000000000000 0.44705284168708 0.91666666666667 47.867 > 55 60 Ti 0.75000000000000 0.44705284168708 0.91666666666667 47.867 > 55 61 Ti 0.25000000000000 0.55294715831292 0.08333333333333 47.867 > 49 62 Ti 0.75000000000000 0.55294715831292 0.08333333333333 47.867 > 49 63 Ti 0.25000000000000 0.55294715831292 0.41666666666667 47.867 > 49 64 Ti 0.75000000000000 0.55294715831292 0.41666666666667 47.867 > 49 65 Ti 0.25000000000000 0.55294715831292 0.75000000000000 47.867 > 49 66 Ti 0.75000000000000 0.55294715831292 0.75000000000000 47.867 > 49 67 Ti 0.00000000000000 0.94705284168708 0.25000000000000 47.867 > 55 68 Ti 0.50000000000000 0.94705284168708 0.25000000000000 47.867 > 55 69 Ti 0.00000000000000 0.94705284168708 0.58333333333333 47.867 > 55 70 Ti 0.50000000000000 0.94705284168708 0.58333333333333 47.867 > 55 71 Ti 0.00000000000000 0.94705284168708 0.91666666666667 47.867 > 55 72 Ti 0.50000000000000 0.94705284168708 0.91666666666667 47.867 > 55 73 O 0.10739396486427 0.02388411754715 0.33206653608490 15.999 > 73 74 O 0.60739396486427 0.02388411754715 0.33206653608490 15.999 > 73 75 O 0.10739396486427 0.02388411754715 0.66539986941823 15.999 > 73 76 O 0.60739396486427 0.02388411754715 0.66539986941823 15.999 > 73 77 O 0.10739396486427 0.02388411754715 0.99873320275157 15.999 > 73 78 O 0.60739396486427 0.02388411754715 0.99873320275157 15.999 > 73 79 O 0.35739396486427 0.47611588245285 0.16539986941823 15.999 > 79 80 O 0.85739396486427 0.47611588245285 0.16539986941823 15.999 > 79 81 O 0.35739396486427 0.47611588245285 0.49873320275157 15.999 > 79 82 O 0.85739396486427 0.47611588245285 0.49873320275157 15.999 > 79 83 O 0.35739396486427 0.47611588245285 0.83206653608490 15.999 > 79 84 O 0.85739396486427 0.47611588245285 0.83206653608490 15.999 > 79 85 O 0.39260603513573 0.02388411754715 0.16793346391510 15.999 > 85 86 O 0.89260603513573 0.02388411754715 0.16793346391510 15.999 > 85 87 O 0.39260603513573 0.02388411754715 0.50126679724843 15.999 > 85 88 O 0.89260603513573 0.02388411754715 0.50126679724843 15.999 > 85 89 O 0.39260603513573 0.02388411754715 0.83460013058177 15.999 > 85 90 O 0.89260603513573 0.02388411754715 0.83460013058177 15.999 > 85 91 O 0.14260603513573 0.47611588245285 0.00126679724843 15.999 > 91 92 O 0.64260603513573 0.47611588245285 0.00126679724843 15.999 > 91 93 O 0.14260603513573 0.47611588245285 0.33460013058177 15.999 > 91 94 O 0.64260603513573 0.47611588245285 0.33460013058177 15.999 > 91 95 O 0.14260603513573 0.47611588245285 0.66793346391510 15.999 > 91 96 O 0.64260603513573 0.47611588245285 0.66793346391510 15.999 > 91 97 O 0.25000000000000 0.28609450536699 0.25000000000000 15.999 > 97 98 O 0.75000000000000 0.28609450536699 0.25000000000000 15.999 > 97 99 O 0.25000000000000 0.28609450536699 0.58333333333333 15.999 > 97 100 O 0.75000000000000 0.28609450536699 0.58333333333333 15.999 > 97 101 O 0.25000000000000 0.28609450536699 0.91666666666667 15.999 > 97 102 O 0.75000000000000 0.28609450536699 0.91666666666667 15.999 > 97 103 O 0.00000000000000 0.21390549463301 0.08333333333333 15.999 > 103 104 O 0.50000000000000 0.21390549463301 0.08333333333333 15.999 > 103 105 O 0.00000000000000 0.21390549463301 0.41666666666667 15.999 > 103 106 O 0.50000000000000 0.21390549463301 0.41666666666667 15.999 > 103 107 O 0.00000000000000 0.21390549463301 0.75000000000000 15.999 > 103 108 O 0.50000000000000 0.21390549463301 0.75000000000000 15.999 > 103 109 O 0.35739396486427 0.52388411754715 0.33206653608490 15.999 > 73 110 O 0.85739396486427 0.52388411754715 0.33206653608490 15.999 > 73 111 O 0.35739396486427 0.52388411754715 0.66539986941823 15.999 > 73 112 O 0.85739396486427 0.52388411754715 0.66539986941823 15.999 > 73 113 O 0.35739396486427 0.52388411754715 0.99873320275157 15.999 > 73 114 O 0.85739396486427 0.52388411754715 0.99873320275157 15.999 > 73 115 O 0.10739396486427 0.97611588245285 0.16539986941823 15.999 > 79 116 O 0.60739396486427 0.97611588245285 0.16539986941823 15.999 > 79 117 O 0.10739396486427 0.97611588245285 0.49873320275157 15.999 > 79 118 O 0.60739396486427 0.97611588245285 0.49873320275157 15.999 > 79 119 O 0.10739396486427 0.97611588245285 0.83206653608490 15.999 > 79 120 O 0.60739396486427 0.97611588245285 0.83206653608490 15.999 > 79 121 O 0.14260603513573 0.52388411754715 0.16793346391510 15.999 > 85 122 O 0.64260603513573 0.52388411754715 0.16793346391510 15.999 > 85 123 O 0.14260603513573 0.52388411754715 0.50126679724843 15.999 > 85 124 O 0.64260603513573 0.52388411754715 0.50126679724843 15.999 > 85 125 O 0.14260603513573 0.52388411754715 0.83460013058177 15.999 > 85 126 O 0.64260603513573 0.52388411754715 0.83460013058177 15.999 > 85 127 O 0.39260603513573 0.97611588245285 0.00126679724843 15.999 > 91 128 O 0.89260603513573 0.97611588245285 0.00126679724843 15.999 > 91 129 O 0.39260603513573 0.97611588245285 0.33460013058177 15.999 > 91 130 O 0.89260603513573 0.97611588245285 0.33460013058177 15.999 > 91 131 O 0.39260603513573 0.97611588245285 0.66793346391510 15.999 > 91 132 O 0.89260603513573 0.97611588245285 0.66793346391510 15.999 > 91 133 O 0.00000000000000 0.78609450536699 0.25000000000000 15.999 > 97 134 O 0.50000000000000 0.78609450536699 0.25000000000000 15.999 > 97 135 O 0.00000000000000 0.78609450536699 0.58333333333333 15.999 > 97 136 O 0.50000000000000 0.78609450536699 0.58333333333333 15.999 > 97 137 O 0.00000000000000 0.78609450536699 0.91666666666667 15.999 > 97 138 O 0.50000000000000 0.78609450536699 0.91666666666667 15.999 > 97 139 O 0.25000000000000 0.71390549463301 0.08333333333333 15.999 > 103 140 O 0.75000000000000 0.71390549463301 0.08333333333333 15.999 > 103 141 O 0.25000000000000 0.71390549463301 0.41666666666667 15.999 > 103 142 O 0.75000000000000 0.71390549463301 0.41666666666667 15.999 > 103 143 O 0.25000000000000 0.71390549463301 0.75000000000000 15.999 > 103 144 O 0.75000000000000 0.71390549463301 0.75000000000000 15.999 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9077681 0.0000000 -0.1225814 0.0000000 3.2533405 0.0000000 -0.1225810 0.0000000 3.8539888 -------------------------- Born effective charges -------------------------- 1 K 1.1899462 0.0000000 0.0233984 0.0000000 1.2298661 0.0000000 0.0257731 0.0000000 1.1962513 2 K 1.1899462 0.0000000 0.0233984 0.0000000 1.2298661 0.0000000 0.0257731 0.0000000 1.1962513 3 Na 1.3316695 0.0000000 0.0138914 0.0000000 1.0853573 0.0000000 0.0404873 0.0000000 0.9686849 4 Na 1.3316695 0.0000000 0.0138914 0.0000000 1.0853573 0.0000000 0.0404873 0.0000000 0.9686849 5 Ti 2.3381237 0.0000000 -0.5030115 0.0000000 3.0762677 0.0000000 -0.5903394 0.0000000 5.3405109 6 Ti 2.3381237 0.0000000 -0.5030115 0.0000000 3.0762677 0.0000000 -0.5903394 0.0000000 5.3405109 7 O -1.8542161 -0.1330640 0.1870999 -0.2370444 -1.1850787 -0.5329784 0.1601644 -0.9128960 -3.1205190 8 O -1.8542161 0.1330640 0.1870999 0.2370444 -1.1850787 0.5329784 0.1601644 0.9128960 -3.1205190 9 O -1.8542161 0.1330640 0.1870999 0.2370444 -1.1850787 0.5329784 0.1601644 0.9128960 -3.1205190 10 O -1.8542161 -0.1330640 0.1870999 -0.2370444 -1.1850787 -0.5329784 0.1601644 -0.9128960 -3.1205190 11 O -1.1513072 0.0000000 0.0915219 0.0000000 -3.0213337 0.0000000 0.2037502 0.0000000 -1.2644091 12 O -1.1513072 0.0000000 0.0915219 0.0000000 -3.0213337 0.0000000 0.2037502 0.0000000 -1.2644091 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) 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 ... [ 10 10 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.75, Number of G-points: 301, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/251) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 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 1.978 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 3.069 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 3.967 ( 0.000 0.000 0.000) 0.000 4.090 ( 0.000 0.000 0.000) 0.000 4.762 ( 0.000 0.000 0.000) 0.000 5.777 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 6.319 ( 0.000 0.000 0.000) 0.000 6.537 ( 0.000 0.000 0.000) 0.000 6.800 ( 0.000 0.000 0.000) 0.000 6.977 ( 0.000 0.000 0.000) 0.000 7.163 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.686 ( 0.000 0.000 0.000) 0.000 8.239 ( 0.000 0.000 0.000) 0.000 8.930 ( 0.000 0.000 0.000) 0.000 9.877 ( 0.000 0.000 0.000) 0.000 9.985 ( 0.000 0.000 0.000) 0.000 10.694 ( 0.000 0.000 0.000) 0.000 11.632 ( 0.000 0.000 0.000) 0.000 12.375 ( 0.000 0.000 0.000) 0.000 12.439 ( 0.000 0.000 0.000) 0.000 13.313 ( 0.000 0.000 0.000) 0.000 15.242 ( 0.000 0.000 0.000) 0.000 17.511 ( 0.000 0.000 0.000) 0.000 18.708 ( 0.000 0.000 0.000) 0.000 19.035 ( 0.000 0.000 0.000) 0.000 19.973 ( 0.000 0.000 0.000) 0.000 22.827 ( 0.000 0.000 0.000) 0.000 23.915 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/251) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 16.535 -19.208 -5.161) 25.865 0.591 ( 12.486 -41.469 -1.280) 43.327 1.118 ( 59.435 -7.917 -9.474) 60.704 2.145 ( 13.742 -7.958 0.453) 15.886 3.063 ( 2.406 4.899 2.515) 6.009 3.171 ( 9.151 12.187 15.278) 21.580 3.687 ( -9.331 -5.912 4.818) 12.051 3.954 ( -3.539 -3.460 1.257) 5.106 4.032 ( -4.647 3.667 0.951) 5.995 4.283 ( -2.938 -5.187 -9.330) 11.072 4.837 ( -6.015 -4.935 18.379) 19.958 5.770 ( 0.318 2.899 1.860) 3.459 6.002 ( -5.540 -0.443 -3.076) 6.352 6.485 ( 0.295 3.639 -11.019) 11.608 6.646 ( 11.463 8.802 -24.375) 28.337 6.871 ( 7.678 2.001 -5.664) 9.749 6.987 ( 1.323 -0.467 -2.086) 2.514 7.170 ( 0.802 -0.467 -1.857) 2.076 7.374 ( -9.326 -18.709 -7.192) 22.107 7.682 ( 0.277 1.022 -1.209) 1.607 8.900 ( -3.948 1.962 3.834) 5.843 8.985 ( 5.771 36.434 38.785) 53.526 9.944 ( 5.540 -2.179 -0.437) 5.969 10.001 ( 0.198 -3.094 0.694) 3.177 10.859 ( 22.164 8.762 -139.751) 141.769 11.666 ( 2.630 -0.508 -0.538) 2.732 12.380 ( 1.056 0.577 -0.735) 1.411 12.424 ( -1.293 0.258 -1.675) 2.132 13.361 ( 3.003 -1.356 -0.578) 3.345 15.240 ( -0.170 -0.115 -1.529) 1.543 18.664 ( -4.274 1.895 2.809) 5.454 18.887 ( 29.982 71.767 31.004) 83.730 19.119 ( 22.288 34.500 19.171) 45.327 20.345 ( -8.369 -9.092 11.862) 17.129 23.704 ( -62.888 -121.409 -1.277) 136.736 23.920 ( -0.922 -2.835 -0.616) 3.044 ======================= Grid point 2 (3/251) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 17.393 -19.924 -2.810) 26.596 1.171 ( 13.952 -35.492 -1.311) 38.159 2.094 ( 46.254 -2.605 -4.999) 46.596 2.541 ( 20.105 -11.346 -0.518) 23.091 3.096 ( 6.171 2.195 0.412) 6.562 3.269 ( 8.074 5.314 8.302) 12.742 3.552 ( -5.566 8.677 4.944) 11.433 3.875 ( -7.207 5.061 -3.228) 9.380 3.915 ( -6.844 -4.777 4.492) 9.478 4.255 ( 0.926 2.995 -6.825) 7.511 4.810 ( -8.923 -11.754 6.370) 16.074 5.738 ( -0.038 5.645 2.808) 6.305 5.895 ( -5.922 -0.665 -3.790) 7.062 6.465 ( 0.754 -0.783 -0.918) 1.423 6.707 ( 7.556 5.306 -12.242) 15.334 6.971 ( 5.568 2.205 2.295) 6.413 7.029 ( 2.972 -1.159 -1.387) 3.478 7.186 ( 0.967 -0.808 -4.306) 4.487 7.365 ( -4.872 -9.765 -3.900) 11.590 7.673 ( 0.162 1.311 -1.482) 1.986 8.696 ( -10.463 15.832 11.037) 21.953 8.890 ( 3.642 14.100 2.853) 14.840 10.022 ( 2.668 -2.204 -10.944) 11.478 10.105 ( 4.952 -4.415 14.899) 16.310 10.858 ( 8.832 2.609 -60.126) 60.828 11.722 ( 3.273 0.317 0.721) 3.367 12.382 ( -1.693 0.941 -3.004) 3.575 12.400 ( 1.337 0.314 -0.907) 1.645 13.463 ( 8.590 0.966 0.909) 8.692 15.231 ( -0.544 -0.281 -2.846) 2.911 18.548 ( -7.509 1.852 3.554) 8.512 18.838 ( 11.237 27.270 9.290) 30.923 19.228 ( 15.000 20.554 11.821) 28.057 20.294 ( -6.079 -3.398 5.961) 9.167 23.720 ( -28.013 -55.625 -0.962) 62.288 23.931 ( -1.506 -4.627 -0.998) 4.967 ======================= Grid point 3 (4/251) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 17.473 -20.856 0.100) 27.208 1.693 ( 13.161 -27.095 -1.404) 30.155 2.663 ( 22.278 4.321 2.551) 22.836 2.864 ( 7.870 1.857 1.528) 8.229 3.268 ( -0.117 6.407 -5.576) 8.495 3.354 ( 6.031 -6.575 -0.268) 8.926 3.447 ( 6.945 10.252 7.616) 14.538 3.723 ( -4.225 -1.764 -5.398) 7.078 3.882 ( 3.213 -3.445 5.488) 7.233 4.243 ( 4.283 6.202 -5.560) 9.366 4.772 ( -10.378 -14.992 2.161) 18.361 5.685 ( -0.215 6.759 3.052) 7.419 5.802 ( -4.201 -0.377 -3.564) 5.522 6.523 ( 2.285 -4.330 6.593) 8.212 6.759 ( 6.730 5.067 -11.057) 13.900 7.028 ( 1.559 2.511 5.520) 6.261 7.069 ( 1.498 -0.450 -3.094) 3.467 7.205 ( 2.167 -0.246 -4.616) 5.105 7.385 ( -1.153 -7.928 -1.321) 8.120 7.656 ( -0.453 1.330 -1.320) 1.928 8.353 ( -14.217 14.904 4.372) 21.056 8.839 ( 2.522 9.798 0.755) 10.145 10.062 ( 1.496 -2.745 -6.089) 6.845 10.260 ( 5.646 -2.628 10.038) 11.813 10.855 ( 3.965 0.782 -31.047) 31.309 11.766 ( 1.873 0.499 1.158) 2.257 12.329 ( -2.292 0.796 -3.179) 3.999 12.426 ( 1.894 0.357 -0.654) 2.035 13.637 ( 11.750 1.357 1.725) 11.953 15.213 ( -1.111 -0.443 -3.489) 3.688 18.402 ( -8.260 0.987 3.051) 8.860 18.818 ( 6.355 13.881 3.454) 15.652 19.308 ( 9.140 12.489 7.190) 17.065 20.229 ( -4.837 -1.374 3.501) 6.127 23.739 ( -14.726 -30.161 -0.774) 33.573 23.945 ( -1.527 -4.680 -1.002) 5.024 ======================= Grid point 4 (5/251) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 15.208 -20.471 2.586) 25.633 2.085 ( 9.178 -15.864 -2.229) 18.463 2.781 ( -2.092 9.485 4.384) 10.656 2.978 ( 6.562 6.728 0.430) 9.408 3.051 ( 1.103 14.259 -0.625) 14.315 3.371 ( -7.276 -2.180 -3.778) 8.483 3.503 ( 2.079 -1.615 2.901) 3.917 3.658 ( -5.078 -3.628 -0.940) 6.311 4.196 ( 10.886 2.903 -1.363) 11.348 4.323 ( 15.874 -4.783 -2.140) 16.717 4.737 ( -7.775 -11.282 0.933) 13.734 5.616 ( -1.520 6.042 1.064) 6.321 5.747 ( -1.778 -0.108 -1.504) 2.331 6.632 ( 2.232 -5.139 9.639) 11.149 6.788 ( 3.750 4.584 -9.170) 10.917 7.003 ( 0.586 3.360 -0.055) 3.411 7.108 ( 2.044 -0.473 -0.647) 2.196 7.237 ( 1.623 -0.302 -1.746) 2.403 7.462 ( 0.848 -9.482 0.493) 9.532 7.628 ( -0.889 1.477 -1.024) 2.005 7.983 ( -13.471 12.663 1.031) 18.517 8.805 ( 1.468 5.351 0.339) 5.560 10.094 ( 0.795 -1.765 -2.928) 3.510 10.377 ( 3.592 -1.163 5.547) 6.710 10.847 ( 1.451 0.219 -14.095) 14.171 11.784 ( 0.599 0.295 0.823) 1.059 12.283 ( -1.521 0.533 -2.038) 2.598 12.451 ( 1.225 0.140 -0.240) 1.256 13.819 ( 8.962 0.897 1.525) 9.135 15.188 ( -1.221 -0.394 -2.650) 2.944 18.276 ( -5.540 0.390 1.850) 5.854 18.816 ( 3.235 6.221 1.051) 7.090 19.349 ( 4.185 6.156 3.492) 8.222 20.176 ( -2.777 -0.483 1.677) 3.280 23.753 ( -6.567 -13.750 -0.446) 15.244 23.957 ( -0.955 -2.921 -0.623) 3.135 ======================= Grid point 5 (6/251) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 226 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( 0.000 0.000 -0.000) 0.000 2.256 ( 0.000 -0.000 -0.000) 0.000 2.618 ( 0.000 -0.000 0.000) 0.000 2.904 ( 0.000 -0.000 -0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.283 ( -0.000 -0.000 -0.000) 0.000 3.510 ( 0.000 -0.000 -0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 -0.000 -0.000) 0.000 4.564 ( 0.000 -0.000 -0.000) 0.000 4.717 ( -0.000 -0.000 0.000) 0.000 5.562 ( 0.000 -0.000 -0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 6.694 ( 0.000 -0.000 0.000) 0.000 6.777 ( 0.000 -0.000 -0.000) 0.000 7.005 ( 0.000 -0.000 0.000) 0.000 7.129 ( 0.000 0.000 -0.000) 0.000 7.251 ( 0.000 -0.000 -0.000) 0.000 7.568 ( 0.000 -0.000 0.000) 0.000 7.592 ( 0.000 -0.000 -0.000) 0.000 7.756 ( 0.000 0.000 -0.000) 0.000 8.794 ( 0.000 -0.000 0.000) 0.000 10.106 ( 0.000 0.000 0.000) 0.000 10.421 ( 0.000 -0.000 -0.000) 0.000 10.843 ( 0.000 -0.000 -0.000) 0.000 11.789 ( 0.000 -0.000 0.000) 0.000 12.264 ( 0.000 -0.000 0.000) 0.000 12.461 ( 0.000 -0.000 -0.000) 0.000 13.901 ( 0.000 -0.000 0.000) 0.000 15.175 ( 0.000 -0.000 -0.000) 0.000 18.226 ( 0.000 -0.000 0.000) 0.000 18.817 ( 0.000 -0.000 -0.000) 0.000 19.361 ( 0.000 -0.000 -0.000) 0.000 20.155 ( 0.000 -0.000 -0.000) 0.000 23.758 ( 0.000 -0.000 0.000) 0.000 23.962 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/251) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 22.394 0.000 -9.941) 24.501 0.748 ( 25.526 0.000 -0.209) 25.527 2.082 ( 53.486 0.000 -6.888) 53.928 2.422 ( 20.872 0.000 0.715) 20.884 3.112 ( 2.693 0.000 -0.091) 2.695 3.429 ( 8.201 0.000 20.329) 21.921 3.508 ( -6.281 -0.000 0.030) 6.281 3.861 ( -6.304 -0.000 -1.602) 6.505 3.984 ( -5.091 -0.000 -3.148) 5.985 4.269 ( 3.089 0.000 -7.176) 7.812 4.679 ( -11.947 -0.000 9.380) 15.189 5.795 ( 0.235 0.000 2.817) 2.827 5.887 ( -5.932 -0.000 -3.012) 6.653 6.462 ( -1.761 -0.000 0.381) 1.802 6.771 ( 6.681 0.000 -17.517) 18.748 7.008 ( 2.117 0.000 -2.518) 3.290 7.013 ( 7.634 0.000 -4.643) 8.935 7.152 ( -1.072 -0.000 -2.486) 2.707 7.254 ( -0.417 -0.000 0.857) 0.953 7.684 ( -0.206 -0.000 -1.592) 1.605 8.821 ( -8.110 -0.000 2.211) 8.406 9.136 ( -6.609 -0.000 23.978) 24.872 10.000 ( 2.404 0.000 -11.062) 11.320 10.021 ( 6.552 0.000 2.154) 6.897 10.887 ( 7.949 0.000 -75.485) 75.902 11.724 ( 3.468 0.000 0.920) 3.588 12.388 ( -2.169 -0.000 -3.819) 4.392 12.407 ( 2.018 0.000 -3.323) 3.888 13.470 ( 8.935 0.000 1.594) 9.076 15.228 ( -0.590 -0.000 -2.725) 2.788 18.560 ( -8.021 -0.000 2.464) 8.391 18.977 ( -3.131 -0.000 -1.393) 3.427 19.972 ( -0.217 -0.000 2.881) 2.889 20.098 ( -3.874 -0.000 35.159) 35.372 22.888 ( 3.749 0.000 0.404) 3.771 23.907 ( 0.267 0.000 -0.682) 0.732 ======================= Grid point 13 (8/251) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 21.417 -8.099 -4.723) 23.379 1.280 ( 24.827 -14.936 -1.833) 29.031 2.758 ( 25.263 5.640 0.669) 25.894 2.858 ( 23.006 -3.047 0.010) 23.207 3.192 ( 7.333 -3.535 -1.462) 8.271 3.377 ( -4.635 3.055 0.067) 5.552 3.652 ( 9.903 4.257 7.626) 13.204 3.744 ( -5.018 -2.421 -0.713) 5.617 3.834 ( -5.243 6.235 -0.428) 8.158 4.321 ( 3.962 2.203 -7.848) 9.063 4.509 ( -12.740 -11.499 4.847) 17.833 5.783 ( -0.568 3.182 2.527) 4.103 5.797 ( -3.889 -0.163 -3.174) 5.023 6.460 ( -0.044 -2.094 7.096) 7.399 6.843 ( 7.408 3.443 -13.361) 15.660 7.044 ( 1.761 -1.178 -2.171) 3.034 7.080 ( 1.039 3.032 2.935) 4.346 7.157 ( 0.597 -4.561 -3.700) 5.903 7.269 ( -0.191 -3.391 -0.474) 3.429 7.671 ( -0.640 0.392 -2.379) 2.494 8.598 ( -13.032 8.418 -1.256) 15.565 9.034 ( -2.737 8.937 10.539) 14.087 10.029 ( 3.139 -0.726 -10.443) 10.928 10.165 ( 5.324 -5.608 2.975) 8.285 10.864 ( 3.360 0.255 -33.336) 33.506 11.772 ( 1.628 0.154 1.354) 2.123 12.337 ( -2.392 0.140 -4.518) 5.114 12.434 ( 1.895 0.329 -2.436) 3.104 13.653 ( 11.331 0.446 2.300) 11.570 15.207 ( -1.133 -0.156 -3.104) 3.308 18.414 ( -8.810 0.340 3.050) 9.329 18.905 ( -4.278 0.098 -1.901) 4.683 19.790 ( 5.232 30.242 11.538) 32.788 20.164 ( -4.907 -7.591 9.291) 12.963 23.111 ( 1.080 -27.342 0.523) 27.369 23.927 ( 2.172 -0.119 -0.423) 2.216 ======================= Grid point 14 (9/251) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 19.076 -12.896 -0.854) 23.042 1.810 ( 21.030 -13.073 -1.971) 24.841 2.952 ( 3.347 9.655 1.475) 10.324 3.096 ( 12.983 5.605 3.202) 14.500 3.266 ( -3.970 3.229 -1.655) 5.378 3.368 ( -0.172 -0.746 -4.288) 4.356 3.545 ( -5.469 11.888 2.316) 13.289 3.587 ( -4.053 -2.915 -3.078) 5.865 4.114 ( 16.450 -7.947 4.852) 18.902 4.263 ( -5.458 -6.702 -7.051) 11.155 4.560 ( 5.715 -5.831 1.741) 8.348 5.724 ( -2.373 3.965 -3.150) 5.592 5.746 ( -1.369 1.018 1.357) 2.180 6.528 ( 1.267 -5.198 11.802) 12.958 6.883 ( 3.540 5.773 -9.626) 11.769 7.048 ( 0.006 1.029 -1.326) 1.678 7.089 ( 1.026 -1.078 1.985) 2.481 7.197 ( -0.013 -3.852 -2.405) 4.541 7.304 ( -0.709 -6.427 -0.392) 6.477 7.645 ( -0.951 0.703 -2.909) 3.140 8.259 ( -11.489 14.574 -5.126) 19.253 8.938 ( -1.866 7.733 6.493) 10.268 10.071 ( 3.125 -0.568 -7.421) 8.072 10.293 ( 1.965 -6.874 1.051) 7.226 10.852 ( 1.273 0.274 -13.041) 13.106 11.786 ( 0.013 -0.034 1.359) 1.360 12.289 ( -1.769 0.173 -3.671) 4.079 12.454 ( 1.092 0.182 -0.974) 1.475 13.832 ( 8.065 0.431 2.021) 8.326 15.183 ( -1.020 -0.188 -1.867) 2.136 18.283 ( -6.042 0.281 2.390) 6.504 18.824 ( -5.750 -2.387 -2.312) 6.641 19.658 ( 4.315 22.982 7.694) 24.617 20.148 ( -3.344 -3.195 3.591) 5.856 23.363 ( 1.409 -22.671 0.491) 22.720 23.980 ( 4.864 1.864 0.214) 5.213 ======================= Grid point 15 (10/251) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 15.031 -14.027 1.231) 20.596 2.203 ( 14.522 -4.692 -1.651) 15.350 2.825 ( -5.848 14.485 4.032) 16.133 3.035 ( -6.765 13.651 -10.264) 18.370 3.134 ( -9.233 0.688 -4.363) 10.235 3.324 ( 6.867 4.038 4.476) 9.138 3.492 ( 1.386 -2.148 -0.101) 2.558 3.631 ( 2.448 -0.837 0.335) 2.609 4.114 ( -11.327 -11.823 -1.725) 16.464 4.485 ( 5.520 -7.433 1.983) 9.468 4.741 ( 11.891 1.772 0.968) 12.061 5.622 ( -3.068 5.395 -3.452) 7.102 5.729 ( -0.375 -0.130 1.068) 1.139 6.621 ( -0.252 -6.058 11.031) 12.588 6.820 ( -2.316 3.648 -5.491) 6.987 7.014 ( -4.175 0.878 3.101) 5.274 7.123 ( 0.803 -0.631 -0.928) 1.380 7.226 ( 0.418 -2.168 -1.942) 2.941 7.383 ( 1.927 -11.221 -1.546) 11.490 7.618 ( -0.645 0.613 -2.523) 2.675 7.974 ( -2.095 15.975 -7.975) 17.977 8.853 ( -2.505 5.493 5.281) 8.021 10.110 ( 2.467 0.427 -3.521) 4.320 10.352 ( -2.249 -6.855 -3.471) 8.006 10.846 ( -0.156 0.248 0.514) 0.592 11.785 ( -0.640 -0.405 0.811) 1.109 12.263 ( -0.392 -0.106 -1.818) 1.863 12.461 ( -0.113 -0.006 -0.147) 0.185 13.898 ( -1.170 -0.220 0.441) 1.269 15.176 ( 0.413 0.107 1.075) 1.156 18.226 ( -0.438 0.004 0.708) 0.832 18.736 ( -8.475 -6.199 -2.779) 10.861 19.542 ( 1.305 16.271 3.831) 16.767 20.141 ( -0.338 -1.678 1.277) 2.135 23.575 ( 3.617 -14.339 0.624) 14.801 24.059 ( 8.012 5.885 1.044) 9.996 ======================= Grid point 16 (11/251) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -2.901 9.087 -2.212) 9.792 2.340 ( 3.110 10.660 4.364) 11.931 2.625 ( 1.901 -1.493 -4.738) 5.319 2.873 ( -4.862 -1.874 -4.832) 7.107 2.934 ( -10.317 -0.108 -4.219) 11.146 3.425 ( 7.036 3.043 4.363) 8.821 3.548 ( -0.057 3.788 -2.061) 4.313 3.668 ( 4.632 -3.320 -0.899) 5.770 4.051 ( -8.224 -11.105 1.425) 13.892 4.410 ( -17.442 2.459 3.248) 17.911 4.915 ( 12.153 7.523 0.782) 14.315 5.549 ( -0.854 -0.268 -3.939) 4.039 5.745 ( 1.680 -0.339 2.169) 2.765 6.659 ( -2.637 -3.731 3.909) 6.013 6.742 ( -4.146 0.609 -1.289) 4.384 6.939 ( -3.974 -2.840 2.792) 5.626 7.109 ( -2.427 -0.206 0.171) 2.442 7.221 ( -2.419 -1.252 0.589) 2.787 7.524 ( 0.534 -8.800 -0.793) 8.852 7.588 ( -1.348 1.234 -1.394) 2.298 7.932 ( 13.743 8.263 -9.701) 18.741 8.777 ( -3.337 2.187 4.776) 6.223 10.129 ( 1.130 1.848 0.946) 2.364 10.327 ( -5.621 -6.147 -9.333) 12.510 10.843 ( -1.853 -0.243 12.651) 12.788 11.775 ( -1.161 -0.687 -0.029) 1.350 12.271 ( 1.123 -0.659 0.096) 1.306 12.449 ( -1.247 -0.079 -0.131) 1.256 13.800 ( -10.056 -1.157 -0.968) 10.168 15.197 ( 1.433 0.502 3.603) 3.910 18.270 ( 5.020 -0.294 -1.151) 5.159 18.629 ( -12.090 -10.946 -3.897) 16.768 19.425 ( -1.369 10.488 1.052) 10.629 20.174 ( 2.814 -0.558 -0.213) 2.877 23.752 ( 5.661 -6.482 0.835) 8.647 24.155 ( 12.009 11.603 1.828) 16.798 ======================= Grid point 17 (12/251) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( -15.253 23.920 -0.630) 28.376 2.178 ( -3.733 24.351 -1.334) 24.672 2.610 ( -14.784 -1.417 -3.952) 15.368 2.827 ( -0.016 -2.511 -3.711) 4.481 2.965 ( 4.157 -16.980 0.040) 17.481 3.410 ( -9.683 1.118 -5.156) 11.027 3.511 ( 1.914 6.158 3.287) 7.238 3.810 ( 4.254 3.807 3.854) 6.888 3.904 ( -14.692 2.670 2.002) 15.066 4.106 ( -6.462 -8.242 0.291) 10.477 5.018 ( 9.593 11.605 -0.166) 15.057 5.566 ( 0.016 -5.503 -4.049) 6.832 5.806 ( 4.391 -0.060 3.723) 5.757 6.598 ( -3.853 3.231 -6.655) 8.341 6.669 ( -6.754 -4.592 10.385) 13.212 6.965 ( 0.502 -4.881 -2.324) 5.429 7.059 ( -3.474 -1.340 1.654) 4.074 7.181 ( -3.683 -1.606 2.734) 4.860 7.498 ( -1.805 3.022 0.673) 3.583 7.610 ( -0.050 -4.169 -0.666) 4.222 8.178 ( 16.425 -2.697 -9.485) 19.158 8.726 ( -3.239 -1.874 4.449) 5.814 10.115 ( -1.675 2.274 6.897) 7.453 10.240 ( -6.132 -4.060 -16.254) 17.841 10.836 ( -4.524 -1.137 24.979) 25.411 11.753 ( -2.198 -0.855 -0.663) 2.450 12.310 ( 1.956 -1.234 1.213) 2.611 12.422 ( -1.692 -0.091 -0.542) 1.780 13.605 ( -12.637 -2.002 -1.037) 12.836 15.223 ( 1.047 0.617 4.099) 4.276 18.370 ( 2.730 -3.455 -4.501) 6.297 18.509 ( -11.808 -13.677 -4.703) 18.671 19.308 ( -3.227 6.559 -0.398) 7.321 20.243 ( 4.958 0.330 -1.393) 5.160 23.887 ( 5.811 -0.474 0.971) 5.910 24.283 ( 18.841 18.759 2.403) 26.696 ======================= Grid point 18 (13/251) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -14.679 24.491 0.774) 28.563 1.790 ( -12.860 28.214 -2.558) 31.112 2.229 ( -23.173 13.787 2.272) 27.059 2.754 ( -8.610 9.451 -0.592) 12.798 3.041 ( -17.340 -5.164 -4.097) 18.551 3.260 ( -2.303 -2.613 2.364) 4.209 3.314 ( -2.109 -4.056 -4.854) 6.668 3.819 ( 6.707 -1.894 2.333) 7.350 3.956 ( 3.577 -2.567 -0.196) 4.407 4.172 ( 4.750 -5.100 0.054) 6.970 5.035 ( 5.276 12.142 -2.418) 13.458 5.620 ( 0.457 -6.549 -2.553) 7.044 5.907 ( 6.171 0.514 4.253) 7.513 6.495 ( -3.525 2.270 0.434) 4.215 6.614 ( -6.955 -4.640 6.892) 10.835 6.938 ( -4.714 -1.416 -5.156) 7.128 7.040 ( -2.331 -0.488 1.433) 2.780 7.163 ( -1.649 -3.256 3.696) 5.194 7.489 ( 3.738 2.244 5.138) 6.738 7.634 ( -0.596 -3.046 -1.107) 3.295 8.424 ( 6.444 -8.741 -10.279) 14.953 8.739 ( 1.345 -4.368 2.882) 5.404 10.044 ( -8.578 -1.991 7.783) 11.753 10.143 ( -1.196 2.066 -16.965) 17.132 10.811 ( -8.327 -2.349 38.198) 39.166 11.711 ( -3.264 -0.842 -0.512) 3.410 12.357 ( 1.297 -1.559 0.943) 2.237 12.398 ( -0.663 -0.097 -0.834) 1.070 13.431 ( -9.056 -2.532 -0.217) 9.406 15.238 ( 0.411 0.483 3.148) 3.211 18.260 ( -23.136 -21.356 -14.446) 34.641 18.560 ( 6.141 -1.579 -0.878) 6.402 19.195 ( -3.591 4.694 -0.613) 5.942 20.325 ( 5.447 0.926 -2.153) 5.930 23.960 ( 3.765 3.134 0.908) 4.982 24.506 ( 30.881 26.200 2.859) 40.599 ======================= Grid point 19 (14/251) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -14.346 23.133 1.281) 27.251 1.181 ( -31.024 21.695 0.679) 37.863 1.617 ( -13.067 44.865 4.592) 46.954 2.388 ( -12.202 16.944 -0.316) 20.883 2.906 ( -6.881 -7.613 -5.167) 11.489 3.144 ( -4.096 2.394 -1.792) 5.072 3.501 ( 2.674 -17.195 -1.044) 17.433 3.947 ( 3.237 -3.079 1.943) 4.872 4.038 ( 4.153 -2.608 -2.727) 5.610 4.340 ( 12.598 0.470 -0.994) 12.646 4.976 ( 0.337 9.616 -5.395) 11.031 5.678 ( -0.138 -6.038 -0.681) 6.078 6.016 ( 5.520 0.873 3.550) 6.621 6.439 ( -4.669 -0.266 14.833) 15.552 6.540 ( -6.341 -3.814 -1.498) 7.550 6.848 ( -5.125 -0.821 -3.518) 6.270 6.997 ( -1.932 0.535 1.345) 2.414 7.163 ( -1.472 -1.352 1.258) 2.362 7.614 ( 11.760 3.539 10.068) 15.880 7.645 ( -0.492 -2.573 -1.626) 3.083 8.478 ( -10.030 -14.161 -10.719) 20.397 8.855 ( 6.270 -2.545 -2.398) 7.179 9.907 ( -11.039 -4.840 1.835) 12.192 10.081 ( 0.389 4.925 -7.159) 8.698 10.754 ( -11.790 -3.055 47.043) 48.594 11.664 ( -2.620 -0.677 0.371) 2.731 12.371 ( -0.060 -0.472 -1.102) 1.201 12.411 ( 0.874 -1.095 0.272) 1.428 13.350 ( -3.017 -2.536 0.905) 4.044 15.244 ( 0.102 0.305 1.631) 1.663 17.927 ( -34.110 -21.757 -21.716) 45.918 18.663 ( 4.292 -0.525 -0.539) 4.358 19.105 ( -1.998 3.761 -0.115) 4.260 20.396 ( 4.020 0.987 -2.160) 4.670 23.971 ( 1.542 4.325 0.549) 4.624 24.938 ( 47.539 26.644 3.594) 54.615 ======================= Grid point 20 (15/251) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 0.000 21.376 -0.000) 21.376 0.602 ( 0.000 33.027 -0.000) 33.027 1.047 ( 0.000 56.492 -0.000) 56.492 2.125 ( 0.000 14.772 -0.000) 14.772 2.866 ( -0.000 -3.617 0.000) 3.617 3.087 ( 0.000 1.830 -0.000) 1.830 3.682 ( -0.000 -16.915 0.000) 16.915 3.992 ( -0.000 -1.175 0.000) 1.175 4.104 ( -0.000 -1.374 0.000) 1.374 4.567 ( -0.000 -4.101 0.000) 4.101 4.849 ( 0.000 8.788 -0.000) 8.788 5.722 ( -0.000 -5.084 0.000) 5.084 6.067 ( 0.000 0.813 -0.000) 0.813 6.356 ( 0.000 3.239 -0.000) 3.239 6.511 ( -0.000 -2.472 0.000) 2.472 6.795 ( -0.000 -0.341 0.000) 0.341 6.980 ( 0.000 0.255 -0.000) 0.255 7.157 ( -0.000 -0.651 0.000) 0.651 7.663 ( -0.000 -2.464 0.000) 2.464 7.880 ( -0.000 -6.375 0.000) 6.375 8.264 ( 0.000 2.659 -0.000) 2.659 8.924 ( -0.000 -0.439 0.000) 0.439 9.827 ( -0.000 -4.688 0.000) 4.688 10.034 ( 0.000 4.432 -0.000) 4.432 10.691 ( -0.000 -0.352 0.000) 0.352 11.647 ( -0.000 -0.631 0.000) 0.631 12.373 ( -0.000 -0.125 0.000) 0.125 12.429 ( -0.000 -1.035 0.000) 1.035 13.362 ( -0.000 -2.785 0.000) 2.785 15.244 ( 0.000 0.192 -0.000) 0.192 17.519 ( 0.000 0.783 -0.000) 0.783 18.705 ( -0.000 -0.306 0.000) 0.306 19.060 ( 0.000 2.630 -0.000) 2.630 20.427 ( 0.000 0.362 -0.000) 0.362 23.947 ( 0.000 3.443 -0.000) 3.443 25.512 ( -0.000 -3.247 0.000) 3.247 ======================= Grid point 23 (16/251) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 20.772 0.000 -4.975) 21.359 1.676 ( 26.445 0.000 -0.320) 26.447 3.103 ( 11.440 0.000 -1.488) 11.536 3.110 ( 5.621 0.000 2.608) 6.196 3.295 ( -4.532 -0.000 -2.857) 5.358 3.315 ( 7.793 0.000 4.219) 8.862 3.563 ( -4.732 -0.000 -3.507) 5.889 3.762 ( -6.395 -0.000 -2.393) 6.828 4.010 ( 4.276 0.000 5.857) 7.252 4.129 ( -4.073 -0.000 -5.424) 6.783 4.523 ( 12.122 0.000 -0.156) 12.123 5.736 ( -2.283 -0.000 -2.556) 3.427 5.784 ( -1.579 -0.000 0.307) 1.608 6.476 ( 0.659 0.000 12.558) 12.575 6.979 ( 9.425 0.000 -13.052) 16.099 7.006 ( -3.547 -0.000 -4.759) 5.936 7.117 ( 0.349 0.000 4.541) 4.555 7.122 ( -2.603 -0.000 2.831) 3.846 7.250 ( -0.502 -0.000 -1.338) 1.429 7.652 ( -0.832 -0.000 -3.898) 3.986 8.409 ( -11.407 -0.000 -7.916) 13.885 9.023 ( -4.754 -0.000 10.771) 11.773 10.071 ( 4.740 0.000 -13.633) 14.434 10.207 ( 1.711 0.000 2.067) 2.683 10.855 ( 1.245 0.000 -12.418) 12.480 11.786 ( -0.257 -0.000 1.542) 1.563 12.290 ( -1.823 -0.000 -4.219) 4.596 12.456 ( 0.986 0.000 -1.412) 1.723 13.835 ( 7.717 0.000 2.219) 8.030 15.181 ( -0.936 -0.000 -1.566) 1.825 18.286 ( -6.252 -0.000 2.603) 6.772 18.797 ( -7.151 -0.000 -2.706) 7.646 20.006 ( 1.855 0.000 3.001) 3.528 20.021 ( -6.832 -0.000 9.646) 11.821 23.118 ( 9.626 0.000 1.269) 9.709 23.998 ( 6.002 0.000 0.370) 6.014 ======================= Grid point 24 (17/251) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 17.945 -5.692 -2.697) 19.019 2.118 ( 21.321 -3.252 -0.184) 21.568 3.057 ( -3.061 9.437 -0.233) 9.924 3.133 ( -9.898 2.699 -5.150) 11.479 3.253 ( 2.408 -0.852 -3.425) 4.273 3.407 ( 3.471 3.041 4.303) 6.310 3.507 ( -9.335 11.126 -2.831) 14.797 3.643 ( 7.052 1.947 -0.288) 7.322 3.839 ( -13.508 -17.284 -1.802) 22.010 4.349 ( 6.573 -5.560 1.741) 8.783 4.765 ( 15.025 0.730 0.653) 15.057 5.697 ( -1.469 1.552 -3.031) 3.708 5.738 ( -2.065 1.328 -0.072) 2.456 6.526 ( -0.325 -3.232 13.026) 13.425 6.896 ( -4.649 3.826 -5.266) 7.999 7.031 ( -6.883 0.827 3.741) 7.878 7.112 ( 3.199 -0.048 -2.539) 4.084 7.162 ( 3.512 -5.600 -1.584) 6.797 7.241 ( -1.428 -2.633 -0.652) 3.065 7.626 ( -0.870 0.224 -5.066) 5.145 8.213 ( -3.098 8.027 -11.901) 14.685 8.944 ( -4.699 3.252 9.185) 10.817 10.122 ( 4.341 1.000 -9.336) 10.344 10.222 ( -3.128 -5.538 -1.543) 6.545 10.850 ( -0.325 0.138 -0.047) 0.357 11.777 ( -1.041 -0.276 1.314) 1.699 12.261 ( -0.608 -0.076 -2.718) 2.786 12.461 ( -0.205 -0.001 -0.314) 0.375 13.895 ( -1.899 -0.138 0.703) 2.029 15.178 ( 0.666 0.066 1.733) 1.857 18.227 ( -0.712 0.005 1.187) 1.384 18.652 ( -10.204 -2.493 -3.154) 10.968 19.831 ( -5.576 12.480 4.364) 14.349 20.086 ( 1.222 -4.225 2.256) 4.943 23.352 ( 11.391 -7.740 1.633) 13.869 24.130 ( 9.881 1.934 1.307) 10.153 ======================= Grid point 25 (18/251) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.131 ( 13.622 -8.132 -1.582) 15.943 2.427 ( 11.043 -0.319 0.540) 11.061 2.837 ( -14.711 9.894 -7.168) 19.123 2.872 ( -9.135 9.232 1.828) 13.115 3.079 ( -3.573 14.124 -10.567) 17.998 3.463 ( 3.196 1.177 5.961) 6.866 3.515 ( 2.863 -12.116 1.681) 12.563 3.643 ( -1.654 1.390 -6.655) 6.997 3.855 ( -0.744 -6.319 0.621) 6.393 4.374 ( -11.172 -6.010 4.167) 13.353 5.005 ( 13.785 2.820 1.228) 14.124 5.610 ( -2.800 5.645 -4.233) 7.591 5.733 ( 1.141 -1.015 1.652) 2.250 6.562 ( -2.948 -5.136 9.746) 11.404 6.770 ( -4.917 2.313 -4.449) 7.023 6.913 ( -6.248 -0.469 2.413) 6.714 7.102 ( -3.095 -0.788 1.239) 3.426 7.206 ( -1.939 -0.390 2.093) 2.880 7.325 ( 2.573 -10.247 -2.894) 10.954 7.597 ( -1.226 -0.019 -4.818) 4.972 8.142 ( 8.840 11.218 -14.084) 20.058 8.849 ( -4.345 4.294 7.959) 10.033 10.139 ( -3.857 -2.525 4.197) 6.234 10.207 ( -0.397 -3.900 -14.274) 14.802 10.839 ( -2.165 -0.190 9.537) 9.782 11.762 ( -1.534 -0.670 0.713) 1.820 12.261 ( 0.787 -0.437 -1.076) 1.403 12.448 ( -1.233 -0.050 -0.229) 1.255 13.781 ( -10.929 -0.852 -0.574) 10.977 15.205 ( 1.574 0.362 4.357) 4.646 18.267 ( 4.834 -0.061 -0.428) 4.853 18.475 ( -13.504 -5.664 -3.841) 15.139 19.630 ( -6.100 10.230 1.737) 12.037 20.157 ( 3.866 -1.220 0.964) 4.167 23.626 ( 11.899 -6.179 1.778) 13.526 24.304 ( 13.371 5.035 2.112) 14.443 ======================= Grid point 26 (19/251) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -10.830 16.962 -1.938) 20.218 2.453 ( -2.312 1.633 0.950) 2.986 2.590 ( -5.624 -0.665 -4.332) 7.130 2.723 ( 1.899 0.018 -6.032) 6.324 2.928 ( 0.752 10.571 -4.920) 11.684 3.412 ( -12.413 -2.116 -1.217) 12.651 3.572 ( 2.584 -0.810 2.285) 3.543 3.768 ( 8.712 -0.513 3.736) 9.493 3.890 ( -0.242 -9.661 -3.089) 10.146 4.096 ( -19.730 5.973 3.813) 20.964 5.180 ( 10.141 5.923 1.409) 11.828 5.526 ( -0.934 2.063 -4.792) 5.301 5.796 ( 4.174 -1.242 3.275) 5.449 6.564 ( -4.195 -5.145 6.445) 9.253 6.656 ( -5.801 1.524 -2.905) 6.665 6.872 ( -0.813 -4.020 1.489) 4.363 7.039 ( -4.686 -0.840 -1.103) 4.886 7.167 ( -3.337 -0.092 3.636) 4.936 7.418 ( -2.523 -10.592 -1.098) 10.944 7.564 ( -1.259 -0.303 -2.929) 3.202 8.241 ( 14.511 7.545 -13.417) 21.155 8.760 ( -2.825 4.331 6.961) 8.672 10.058 ( -10.961 -8.320 1.449) 13.838 10.216 ( 2.811 1.989 -11.195) 11.713 10.817 ( -4.511 -0.910 18.139) 18.713 11.736 ( -2.513 -0.971 -0.002) 2.694 12.289 ( 1.660 -0.999 -0.061) 1.938 12.421 ( -1.608 -0.040 -0.905) 1.845 13.569 ( -13.604 -1.849 -0.545) 13.740 15.234 ( 0.949 0.553 4.695) 4.822 18.247 ( -15.381 -6.989 -6.046) 17.944 18.401 ( 6.566 -1.593 -0.704) 6.793 19.449 ( -5.684 7.673 0.482) 9.561 20.245 ( 5.465 0.034 -0.071) 5.466 23.866 ( 10.803 -1.504 1.717) 11.042 24.514 ( 17.218 7.595 2.606) 18.998 ======================= Grid point 27 (20/251) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -17.139 21.171 -0.504) 27.244 2.157 ( -18.151 15.311 -3.273) 23.970 2.527 ( -0.940 10.396 -1.654) 10.569 2.829 ( 2.112 -5.409 -6.745) 8.900 2.892 ( 0.990 1.854 -2.581) 3.329 3.162 ( -14.366 -2.567 1.795) 14.703 3.522 ( -9.132 14.411 2.767) 17.283 3.773 ( -4.000 -6.961 2.826) 8.512 3.864 ( 0.405 -0.878 2.797) 2.960 4.081 ( 11.067 -5.033 -4.101) 12.830 5.235 ( 4.024 9.517 -0.225) 10.335 5.529 ( 1.746 -2.573 -2.965) 4.297 5.906 ( 6.080 -0.883 3.975) 7.318 6.535 ( -6.684 -1.913 7.595) 10.296 6.539 ( -3.432 0.081 -3.335) 4.786 6.911 ( -2.114 -2.480 -4.228) 5.338 6.987 ( -1.429 -4.272 1.483) 4.742 7.118 ( -3.057 -0.748 3.512) 4.716 7.442 ( -2.668 -7.789 0.241) 8.237 7.563 ( -0.638 -3.431 -1.115) 3.663 8.382 ( 7.742 2.476 -8.934) 12.078 8.731 ( 3.397 3.155 3.304) 5.693 9.931 ( -12.542 -9.011 -1.888) 15.558 10.210 ( 1.994 4.278 -6.816) 8.290 10.776 ( -6.851 -1.509 24.237) 25.231 11.692 ( -3.486 -1.176 -0.295) 3.691 12.329 ( 1.530 -1.416 0.070) 2.086 12.395 ( -0.980 -0.158 -1.547) 1.838 13.378 ( -10.143 -2.982 0.132) 10.573 15.247 ( 0.219 0.518 3.508) 3.553 18.001 ( -18.852 -8.590 -8.469) 22.381 18.541 ( 7.486 -0.784 -0.702) 7.560 19.298 ( -4.561 5.915 0.102) 7.470 20.338 ( 5.414 0.558 -0.736) 5.492 24.020 ( 7.396 3.381 1.364) 8.246 24.788 ( 21.969 7.462 2.753) 23.365 ======================= Grid point 28 (21/251) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -21.003 19.194 0.173) 28.453 1.623 ( -17.287 26.701 0.226) 31.809 2.371 ( 2.994 29.081 -0.298) 29.236 2.650 ( -14.018 8.828 -2.997) 16.835 2.843 ( -0.494 5.433 -2.028) 5.820 3.187 ( 0.961 -15.351 2.009) 15.512 3.238 ( -6.342 9.068 -1.704) 11.196 3.846 ( -0.154 -9.733 1.975) 9.932 3.936 ( 2.453 -5.833 0.881) 6.389 4.302 ( 10.475 -3.993 -3.374) 11.707 5.165 ( -0.609 10.626 -1.173) 10.708 5.588 ( 1.592 -3.276 -0.777) 3.724 6.023 ( 5.294 -0.385 3.273) 6.236 6.450 ( -4.417 0.665 8.963) 10.015 6.489 ( -3.186 -1.660 -4.267) 5.578 6.842 ( -3.838 0.123 -3.909) 5.480 6.997 ( -1.785 -0.996 0.429) 2.089 7.118 ( -0.593 -3.211 2.036) 3.848 7.525 ( 2.361 -10.657 5.078) 12.038 7.584 ( -0.546 -4.307 -3.154) 5.366 8.396 ( -1.466 1.798 -2.713) 3.570 8.836 ( 8.749 0.790 -2.469) 9.124 9.787 ( -12.001 -7.979 -1.411) 14.480 10.178 ( 0.889 5.515 -3.487) 6.586 10.718 ( -6.829 -1.325 22.111) 23.179 11.645 ( -2.822 -1.261 -0.024) 3.091 12.360 ( 0.779 -0.831 -0.549) 1.265 12.389 ( -0.043 -1.108 -0.980) 1.480 13.286 ( -4.300 -4.048 0.578) 5.934 15.250 ( -0.019 0.388 1.783) 1.824 17.724 ( -17.242 -4.888 -9.046) 20.075 18.653 ( 4.488 -0.598 -0.424) 4.548 19.187 ( -2.499 4.891 0.078) 5.493 20.410 ( 3.491 0.669 -0.803) 3.644 24.068 ( 3.232 6.190 0.733) 7.022 25.146 ( 22.705 2.042 2.339) 22.916 ======================= Grid point 29 (22/251) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 22.907 -0.000) 22.907 1.197 ( 0.000 32.215 -0.000) 32.215 2.026 ( 0.000 49.961 -0.000) 49.961 2.420 ( 0.000 12.991 -0.000) 12.991 2.798 ( -0.000 -0.965 0.000) 0.965 3.132 ( 0.000 3.337 -0.000) 3.337 3.358 ( -0.000 -17.906 0.000) 17.906 3.926 ( -0.000 -6.920 0.000) 6.920 4.020 ( -0.000 -6.481 0.000) 6.481 4.465 ( -0.000 -6.625 0.000) 6.625 5.043 ( 0.000 11.687 -0.000) 11.687 5.632 ( -0.000 -4.027 0.000) 4.027 6.080 ( 0.000 0.318 -0.000) 0.318 6.406 ( 0.000 1.716 -0.000) 1.716 6.467 ( -0.000 -1.746 0.000) 1.746 6.794 ( 0.000 0.377 -0.000) 0.377 6.982 ( -0.000 -0.067 0.000) 0.067 7.135 ( -0.000 -1.871 0.000) 1.871 7.605 ( -0.000 -3.576 0.000) 3.576 7.698 ( -0.000 -13.590 0.000) 13.590 8.330 ( 0.000 4.463 -0.000) 4.463 8.923 ( 0.000 0.392 -0.000) 0.392 9.722 ( -0.000 -6.681 0.000) 6.681 10.129 ( 0.000 5.799 -0.000) 5.799 10.683 ( -0.000 -0.535 0.000) 0.535 11.630 ( -0.000 -1.188 0.000) 1.188 12.370 ( -0.000 -0.175 0.000) 0.175 12.403 ( -0.000 -1.772 0.000) 1.772 13.293 ( -0.000 -4.482 0.000) 4.482 15.249 ( 0.000 0.311 -0.000) 0.311 17.538 ( 0.000 1.287 -0.000) 1.287 18.697 ( -0.000 -0.504 0.000) 0.504 19.125 ( 0.000 4.264 -0.000) 4.264 20.436 ( 0.000 0.572 -0.000) 0.572 24.036 ( 0.000 6.244 -0.000) 6.244 25.427 ( -0.000 -6.015 0.000) 6.015 ======================= Grid point 34 (23/251) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 15.115 0.000 -2.991) 15.408 2.411 ( 12.178 0.000 -0.124) 12.178 2.846 ( -13.455 -0.000 -8.831) 16.095 3.196 ( -9.876 -0.000 9.891) 13.978 3.242 ( 2.504 0.000 0.881) 2.654 3.285 ( -11.470 -0.000 -14.303) 18.334 3.475 ( 1.780 0.000 5.756) 6.025 3.553 ( 0.187 0.000 -8.570) 8.573 3.876 ( 9.915 0.000 0.132) 9.916 4.282 ( -11.329 -0.000 4.350) 12.135 5.030 ( 14.230 0.000 1.052) 14.269 5.696 ( -2.561 -0.000 -2.149) 3.344 5.701 ( 0.916 0.000 -0.300) 0.964 6.510 ( -2.652 -0.000 10.155) 10.496 6.805 ( -6.064 -0.000 -4.846) 7.762 6.908 ( -7.000 -0.000 1.969) 7.272 7.084 ( -4.071 -0.000 5.100) 6.525 7.204 ( -2.050 -0.000 2.927) 3.574 7.223 ( 3.738 0.000 -5.619) 6.749 7.597 ( -1.123 -0.000 -6.466) 6.562 8.256 ( 7.205 0.000 -15.732) 17.303 8.893 ( -4.690 -0.000 8.890) 10.051 10.084 ( -9.104 -0.000 0.878) 9.146 10.193 ( 5.086 0.000 -10.975) 12.097 10.837 ( -2.269 -0.000 8.106) 8.418 11.755 ( -1.657 -0.000 1.021) 1.946 12.257 ( 0.660 0.000 -1.392) 1.540 12.447 ( -1.227 -0.000 -0.246) 1.252 13.773 ( -11.257 -0.000 -0.439) 11.266 15.208 ( 1.621 0.000 4.640) 4.915 18.267 ( 4.992 0.000 -0.026) 4.992 18.424 ( -13.769 -0.000 -3.827) 14.291 19.735 ( -9.953 -0.000 1.599) 10.081 20.142 ( 5.311 0.000 1.535) 5.528 23.564 ( 15.136 0.000 2.240) 15.301 24.348 ( 13.435 0.000 2.164) 13.608 ======================= Grid point 35 (24/251) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 10.624 -3.122 -3.634) 11.655 2.428 ( -10.897 0.192 -6.033) 12.458 2.716 ( 0.733 1.762 -4.504) 4.891 2.763 ( -17.816 10.049 1.725) 20.527 3.196 ( 1.661 13.210 -7.236) 15.153 3.298 ( -7.730 -8.686 2.699) 11.937 3.510 ( 0.381 -2.174 5.060) 5.521 3.674 ( 7.910 -9.906 -9.070) 15.587 3.914 ( -2.915 11.069 2.944) 11.819 4.094 ( -8.694 -6.452 3.094) 11.260 5.244 ( 10.634 1.647 1.553) 10.872 5.621 ( -1.189 6.220 -3.250) 7.118 5.756 ( 3.136 -3.110 1.740) 4.747 6.487 ( -3.339 -2.530 7.022) 8.176 6.683 ( -5.798 1.474 -3.094) 6.735 6.825 ( -3.386 -1.589 1.352) 3.978 7.019 ( -4.827 -1.186 1.927) 5.331 7.169 ( -2.967 0.137 4.305) 5.230 7.247 ( -2.408 -5.716 -2.714) 6.770 7.561 ( -1.403 -0.094 -5.963) 6.127 8.370 ( 11.169 4.668 -14.950) 19.236 8.834 ( -2.305 2.704 6.836) 7.704 9.919 ( -12.284 -5.034 0.194) 13.277 10.249 ( 4.196 1.106 -8.583) 9.618 10.806 ( -4.342 -0.330 14.101) 14.758 11.722 ( -2.688 -0.455 0.477) 2.768 12.276 ( 1.468 -0.380 -0.503) 1.597 12.421 ( -1.599 -0.017 -0.930) 1.850 13.544 ( -14.197 -0.756 -0.316) 14.220 15.241 ( 0.872 0.223 5.057) 5.136 18.165 ( -15.816 -2.136 -4.719) 16.643 18.386 ( 8.052 -0.351 -0.526) 8.077 19.554 ( -8.677 3.284 0.464) 9.290 20.245 ( 6.030 -0.031 0.684) 6.069 23.842 ( 14.997 -0.799 2.298) 15.193 24.593 ( 15.079 1.822 2.553) 15.402 ======================= Grid point 36 (25/251) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( -18.487 12.904 -4.012) 22.899 2.397 ( -11.500 8.075 -2.621) 14.294 2.467 ( 1.214 -6.096 -5.235) 8.126 2.792 ( 4.107 -0.076 -2.674) 4.902 3.012 ( -9.886 4.601 -1.195) 10.970 3.199 ( -3.480 6.684 0.379) 7.545 3.547 ( -3.372 -9.782 3.091) 10.798 3.698 ( -4.163 1.936 0.737) 4.650 3.898 ( -2.274 -4.063 0.374) 4.671 4.077 ( 9.737 7.924 -1.338) 12.625 5.362 ( 5.155 4.116 1.355) 6.735 5.554 ( 1.407 5.326 -3.685) 6.628 5.867 ( 5.162 -3.494 2.934) 6.889 6.467 ( -3.701 -3.264 4.339) 6.571 6.574 ( -4.482 1.794 -0.570) 4.862 6.834 ( 0.507 -4.534 0.937) 4.657 6.950 ( -4.001 -0.667 -0.393) 4.075 7.117 ( -3.496 0.300 2.878) 4.538 7.249 ( -5.047 -10.559 -1.656) 11.820 7.530 ( -1.164 -0.783 -3.507) 3.777 8.459 ( 6.292 4.643 -8.697) 11.696 8.813 ( 3.241 4.627 2.200) 6.062 9.762 ( -12.504 -8.340 -1.207) 15.079 10.277 ( 2.817 2.790 -5.707) 6.949 10.756 ( -5.782 -0.726 17.009) 17.979 11.672 ( -3.663 -0.897 -0.044) 3.772 12.308 ( 1.501 -0.891 -0.200) 1.757 12.393 ( -1.218 -0.091 -1.569) 1.989 13.331 ( -11.015 -1.968 0.283) 11.193 15.256 ( 0.041 0.336 3.796) 3.811 17.904 ( -15.319 -2.878 -5.415) 16.501 18.530 ( 7.713 -0.439 -0.459) 7.739 19.391 ( -6.311 3.870 0.152) 7.405 20.346 ( 5.466 0.305 0.024) 5.474 24.075 ( 11.412 2.415 1.841) 11.809 24.850 ( 15.369 0.764 2.419) 15.577 ======================= Grid point 37 (26/251) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -18.412 18.360 -1.065) 26.024 2.096 ( -8.316 22.870 -0.730) 24.346 2.408 ( -8.247 -8.256 -5.691) 12.983 2.854 ( 2.684 1.454 -3.481) 4.630 2.929 ( -3.136 -9.391 4.226) 10.765 3.080 ( 2.730 16.199 -1.473) 16.494 3.547 ( -4.988 18.044 0.405) 18.725 3.611 ( -2.238 -12.387 2.212) 12.780 3.850 ( -1.275 -4.082 0.497) 4.305 4.239 ( 8.953 -1.069 -1.816) 9.198 5.344 ( 0.191 8.530 -0.040) 8.532 5.569 ( 3.161 1.217 -1.628) 3.758 5.991 ( 4.300 -3.343 2.700) 6.079 6.434 ( -3.619 -2.075 2.749) 4.996 6.499 ( -2.023 2.128 -0.015) 2.936 6.848 ( -2.289 0.145 -2.558) 3.436 6.946 ( 0.616 -4.213 1.199) 4.424 7.074 ( -1.610 -1.201 1.646) 2.597 7.278 ( -3.524 -14.566 -0.729) 15.004 7.524 ( -0.608 -2.254 -0.988) 2.535 8.463 ( 0.791 4.402 -2.005) 4.902 8.875 ( 7.079 2.955 -1.915) 7.907 9.635 ( -10.303 -8.189 -1.376) 13.233 10.271 ( 1.330 4.354 -2.808) 5.349 10.700 ( -4.884 -0.675 13.490) 14.363 11.621 ( -2.928 -1.233 -0.137) 3.181 12.340 ( 1.074 -1.256 -0.094) 1.655 12.376 ( -0.630 -0.380 -1.410) 1.591 13.215 ( -5.203 -3.419 0.494) 6.246 15.257 ( -0.158 0.322 1.932) 1.965 17.678 ( -10.939 -1.027 -4.627) 11.921 18.643 ( 4.580 -0.482 -0.247) 4.612 19.271 ( -3.311 4.028 0.080) 5.214 20.421 ( 3.339 0.454 -0.236) 3.378 24.185 ( 5.472 6.266 0.974) 8.376 25.116 ( 12.530 -3.813 1.690) 13.206 ======================= Grid point 38 (27/251) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.000 22.616 -0.000) 22.616 1.764 ( 0.000 29.779 -0.000) 29.779 2.417 ( -0.000 -9.776 0.000) 9.776 2.747 ( 0.000 23.229 -0.000) 23.229 2.969 ( 0.000 14.726 -0.000) 14.726 3.051 ( -0.000 -14.443 0.000) 14.443 3.286 ( 0.000 18.639 -0.000) 18.639 3.724 ( -0.000 -14.291 0.000) 14.291 3.905 ( -0.000 -6.574 0.000) 6.574 4.350 ( -0.000 -5.098 0.000) 5.098 5.251 ( 0.000 10.734 -0.000) 10.734 5.592 ( -0.000 -0.201 0.000) 0.201 6.064 ( -0.000 -2.410 0.000) 2.410 6.413 ( -0.000 -0.774 0.000) 0.774 6.463 ( 0.000 1.398 -0.000) 1.398 6.810 ( 0.000 1.234 -0.000) 1.234 6.971 ( -0.000 -1.414 0.000) 1.414 7.090 ( -0.000 -2.830 0.000) 2.830 7.403 ( -0.000 -17.826 0.000) 17.826 7.543 ( -0.000 -3.073 0.000) 3.073 8.419 ( 0.000 5.102 -0.000) 5.102 8.937 ( 0.000 1.070 -0.000) 1.070 9.593 ( -0.000 -7.124 0.000) 7.124 10.234 ( 0.000 5.412 -0.000) 5.412 10.673 ( -0.000 -0.459 0.000) 0.459 11.606 ( -0.000 -1.391 0.000) 1.391 12.368 ( -0.000 -0.136 0.000) 0.136 12.368 ( -0.000 -1.908 0.000) 1.908 13.209 ( -0.000 -4.455 0.000) 4.455 15.255 ( 0.000 0.312 -0.000) 0.312 17.562 ( 0.000 1.312 -0.000) 1.312 18.688 ( -0.000 -0.516 0.000) 0.516 19.205 ( 0.000 4.301 -0.000) 4.301 20.446 ( 0.000 0.525 -0.000) 0.525 24.166 ( 0.000 7.645 -0.000) 7.645 25.301 ( -0.000 -7.518 0.000) 7.518 ======================= Grid point 45 (28/251) ======================= q-point: (-0.60 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( -12.570 -0.000 -8.298) 15.062 2.358 ( -9.287 -0.000 -7.138) 11.713 2.511 ( -4.083 -0.000 2.736) 4.915 2.791 ( 4.787 0.000 -0.869) 4.865 3.108 ( -17.256 -0.000 -3.906) 17.693 3.188 ( -3.935 -0.000 2.610) 4.722 3.498 ( 0.421 0.000 3.754) 3.777 3.701 ( 1.679 0.000 -7.322) 7.512 3.830 ( -3.366 -0.000 4.937) 5.976 4.174 ( 10.624 0.000 -0.779) 10.653 5.396 ( 5.597 0.000 1.564) 5.812 5.643 ( 0.264 0.000 -3.617) 3.626 5.808 ( 4.715 0.000 2.122) 5.171 6.434 ( -2.987 -0.000 4.008) 4.999 6.597 ( -4.323 -0.000 0.278) 4.332 6.783 ( -0.340 -0.000 1.638) 1.673 6.942 ( -3.838 -0.000 1.954) 4.307 7.121 ( -3.519 -0.000 2.703) 4.437 7.143 ( -5.336 -0.000 -3.491) 6.376 7.524 ( -1.345 -0.000 -4.990) 5.168 8.508 ( 4.993 0.000 -8.244) 9.638 8.862 ( 3.070 0.000 0.617) 3.131 9.677 ( -12.188 -0.000 0.284) 12.192 10.303 ( 3.091 0.000 -5.807) 6.579 10.749 ( -5.410 -0.000 14.759) 15.719 11.664 ( -3.717 -0.000 0.075) 3.718 12.299 ( 1.436 0.000 -0.242) 1.456 12.392 ( -1.288 -0.000 -1.491) 1.971 13.313 ( -11.330 -0.000 0.315) 11.335 15.259 ( -0.031 -0.000 3.905) 3.905 17.880 ( -14.204 -0.000 -4.539) 14.912 18.526 ( 7.765 0.000 -0.353) 7.773 19.428 ( -7.096 -0.000 0.131) 7.097 20.349 ( 5.484 0.000 0.277) 5.491 24.098 ( 13.305 0.000 2.068) 13.465 24.852 ( 12.947 0.000 2.260) 13.142 ======================= Grid point 47 (29/251) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -12.925 15.147 -3.197) 20.167 2.146 ( -10.558 -10.581 -4.123) 15.506 2.519 ( -0.494 9.796 -1.968) 10.003 2.777 ( -8.618 1.094 -0.184) 8.689 2.875 ( 1.828 -1.406 0.705) 2.412 3.186 ( -2.285 -8.102 0.743) 8.451 3.486 ( 0.416 5.367 0.269) 5.390 3.700 ( -0.144 -3.993 -1.905) 4.426 3.831 ( -0.887 1.866 1.850) 2.773 4.313 ( 8.030 6.421 -0.659) 10.302 5.449 ( 1.606 2.660 0.892) 3.232 5.624 ( 1.445 3.661 -2.893) 4.885 5.912 ( 3.556 -4.134 1.875) 5.767 6.398 ( -2.433 -1.317 1.309) 3.060 6.539 ( -1.690 1.769 1.973) 3.142 6.824 ( 2.107 -2.412 2.168) 3.868 6.896 ( -1.667 -0.642 0.797) 1.956 7.060 ( -4.091 -2.774 -1.854) 5.279 7.073 ( -4.208 -4.064 -0.829) 5.909 7.499 ( -0.815 -0.648 -2.391) 2.608 8.529 ( 0.734 2.209 -1.961) 3.044 8.922 ( 4.400 1.651 -2.503) 5.325 9.517 ( -8.094 -3.857 -0.101) 8.967 10.327 ( 1.555 1.635 -2.906) 3.680 10.692 ( -4.094 -0.200 10.233) 11.024 11.605 ( -2.959 -0.519 -0.134) 3.007 12.322 ( 0.872 -0.567 -0.120) 1.047 12.372 ( -0.655 -0.077 -1.196) 1.366 13.171 ( -5.659 -1.321 0.454) 5.829 15.261 ( -0.253 0.125 2.024) 2.044 17.670 ( -8.738 -0.119 -3.117) 9.278 18.636 ( 4.620 -0.185 -0.127) 4.626 19.324 ( -3.859 1.558 0.064) 4.162 20.426 ( 3.265 0.156 0.018) 3.269 24.275 ( 7.452 2.968 1.185) 8.108 25.050 ( 8.225 -2.438 1.378) 8.689 ======================= Grid point 48 (30/251) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 0.000 20.276 -0.000) 20.276 2.147 ( -0.000 -5.277 0.000) 5.277 2.319 ( 0.000 16.826 -0.000) 16.826 2.793 ( -0.000 -11.155 0.000) 11.155 2.900 ( 0.000 0.861 -0.000) 0.861 3.206 ( 0.000 3.616 -0.000) 3.616 3.482 ( -0.000 -6.777 0.000) 6.777 3.712 ( 0.000 18.623 -0.000) 18.623 3.770 ( -0.000 -8.231 0.000) 8.231 4.331 ( 0.000 4.318 -0.000) 4.318 5.416 ( 0.000 6.710 -0.000) 6.710 5.615 ( 0.000 2.244 -0.000) 2.244 5.991 ( -0.000 -5.166 0.000) 5.166 6.389 ( -0.000 -1.545 0.000) 1.545 6.507 ( 0.000 2.805 -0.000) 2.805 6.835 ( 0.000 1.430 -0.000) 1.430 6.925 ( -0.000 -3.401 0.000) 3.401 7.049 ( -0.000 -1.369 0.000) 1.369 7.100 ( -0.000 -13.901 0.000) 13.901 7.500 ( -0.000 -1.581 0.000) 1.581 8.504 ( 0.000 3.770 -0.000) 3.770 8.955 ( 0.000 0.797 -0.000) 0.797 9.478 ( -0.000 -4.976 0.000) 4.976 10.315 ( 0.000 3.227 -0.000) 3.227 10.667 ( -0.000 -0.206 0.000) 0.206 11.583 ( -0.000 -0.961 0.000) 0.961 12.338 ( -0.000 -1.258 0.000) 1.258 12.366 ( -0.000 -0.062 0.000) 0.062 13.142 ( -0.000 -2.741 0.000) 2.741 15.259 ( 0.000 0.193 -0.000) 0.193 17.583 ( 0.000 0.824 -0.000) 0.824 18.680 ( -0.000 -0.326 0.000) 0.326 19.271 ( 0.000 2.693 -0.000) 2.693 20.453 ( 0.000 0.283 -0.000) 0.283 24.297 ( 0.000 6.169 -0.000) 6.169 25.171 ( -0.000 -6.138 0.000) 6.138 ======================= Grid point 58 (31/251) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -0.000 -0.000 0.000) 0.000 1.923 ( 0.000 0.000 -0.000) 0.000 2.565 ( 0.000 0.000 -0.000) 0.000 2.699 ( 0.000 0.000 -0.000) 0.000 2.899 ( 0.000 0.000 -0.000) 0.000 3.108 ( 0.000 0.000 -0.000) 0.000 3.539 ( 0.000 0.000 -0.000) 0.000 3.641 ( 0.000 0.000 -0.000) 0.000 3.860 ( 0.000 0.000 -0.000) 0.000 4.419 ( -0.000 -0.000 0.000) 0.000 5.477 ( 0.000 0.000 -0.000) 0.000 5.644 ( 0.000 0.000 -0.000) 0.000 5.927 ( 0.000 0.000 -0.000) 0.000 6.372 ( 0.000 0.000 -0.000) 0.000 6.539 ( 0.000 0.000 -0.000) 0.000 6.859 ( -0.000 -0.000 0.000) 0.000 6.877 ( 0.000 0.000 -0.000) 0.000 6.961 ( 0.000 0.000 -0.000) 0.000 7.038 ( 0.000 0.000 -0.000) 0.000 7.485 ( 0.000 0.000 -0.000) 0.000 8.541 ( 0.000 0.000 -0.000) 0.000 8.963 ( 0.000 0.000 -0.000) 0.000 9.430 ( 0.000 0.000 -0.000) 0.000 10.345 ( 0.000 0.000 -0.000) 0.000 10.665 ( 0.000 0.000 -0.000) 0.000 11.574 ( 0.000 0.000 -0.000) 0.000 12.326 ( 0.000 0.000 -0.000) 0.000 12.365 ( 0.000 0.000 -0.000) 0.000 13.116 ( 0.000 0.000 -0.000) 0.000 15.261 ( 0.000 0.000 -0.000) 0.000 17.590 ( 0.000 0.000 -0.000) 0.000 18.677 ( 0.000 0.000 -0.000) 0.000 19.296 ( 0.000 0.000 -0.000) 0.000 20.456 ( 0.000 0.000 -0.000) 0.000 24.360 ( 0.000 0.000 -0.000) 0.000 25.109 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 105 (32/251) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( -18.275 -0.000 21.139) 27.943 0.646 ( -4.848 -0.000 31.651) 32.020 1.592 ( -14.079 -0.000 74.197) 75.521 1.978 ( 0.734 0.000 -0.265) 0.780 3.002 ( 3.744 0.000 0.841) 3.837 3.046 ( 7.294 0.000 2.221) 7.625 3.570 ( 0.752 0.000 -5.674) 5.724 3.980 ( -0.528 -0.000 1.020) 1.149 4.049 ( -2.216 -0.000 10.663) 10.891 4.086 ( -2.365 -0.000 -0.368) 2.393 4.841 ( 6.466 0.000 0.811) 6.517 5.879 ( 1.515 0.000 9.394) 9.516 6.053 ( -3.427 -0.000 -1.455) 3.724 6.253 ( -7.811 -0.000 -10.859) 13.376 6.786 ( 7.905 0.000 10.967) 13.519 6.945 ( -2.315 -0.000 -3.160) 3.917 7.158 ( -1.630 -0.000 -0.512) 1.709 7.171 ( -15.970 -0.000 8.652) 18.164 7.318 ( 0.334 0.000 3.692) 3.707 7.674 ( -0.896 -0.000 -0.946) 1.303 8.231 ( 7.278 0.000 -3.364) 8.018 8.868 ( -0.689 -0.000 -4.012) 4.071 9.811 ( 2.379 0.000 -6.256) 6.693 10.323 ( -2.020 -0.000 21.222) 21.318 11.439 ( 2.246 0.000 -18.083) 18.222 12.455 ( 0.668 0.000 7.483) 7.513 12.488 ( -2.179 -0.000 4.034) 4.585 13.338 ( 0.450 0.000 2.640) 2.678 15.186 ( -0.895 -0.000 -5.597) 5.668 16.237 (-142.727 -0.000 -10.135) 143.086 18.681 ( 1.649 0.000 -2.436) 2.942 19.004 ( -0.952 -0.000 -3.018) 3.165 20.009 ( 1.321 0.000 3.452) 3.697 20.603 ( 73.126 0.000 -1.223) 73.136 22.849 ( -0.063 -0.000 2.153) 2.154 23.873 ( -0.365 -0.000 -4.041) 4.058 ======================= Grid point 106 (33/251) ======================= q-point: ( 0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 6.303 -22.426 21.332) 31.586 1.069 ( 50.980 -9.164 4.735) 52.013 1.594 ( -8.541 -8.809 70.900) 71.954 2.154 ( 14.140 -7.510 0.136) 16.011 3.026 ( 1.956 0.604 -3.651) 4.186 3.270 ( 14.357 8.050 0.622) 16.472 3.618 ( -0.824 -13.021 -10.871) 16.982 3.928 ( -0.475 4.531 1.582) 4.822 3.966 ( -4.534 5.832 0.032) 7.388 4.130 ( 0.081 -5.002 8.323) 9.710 4.910 ( -0.906 -1.836 0.405) 2.087 5.874 ( -0.132 7.042 7.479) 10.273 6.022 ( -5.880 1.111 0.864) 6.046 6.113 ( -1.072 -6.427 -4.046) 7.670 6.863 ( -2.348 8.190 12.317) 14.977 6.940 ( -0.230 -1.275 2.491) 2.808 6.982 ( 3.470 1.391 5.179) 6.387 7.135 ( -1.384 -0.411 -1.727) 2.251 7.338 ( -2.960 -5.795 1.444) 6.665 7.677 ( 0.200 -1.677 0.393) 1.733 8.401 ( 10.763 -0.532 -13.447) 17.232 8.832 ( 0.121 4.158 -5.257) 6.704 9.863 ( 6.248 3.253 -4.826) 8.538 10.345 ( -1.266 -1.019 20.945) 21.008 11.454 ( 4.183 0.233 -19.203) 19.655 12.448 ( -3.164 2.044 4.878) 6.163 12.480 ( 0.138 0.175 9.680) 9.683 13.351 ( -12.156 12.296 22.839) 28.646 13.608 (-104.466 19.103 94.030) 141.845 15.160 ( -0.721 -0.054 -6.280) 6.321 18.664 ( -2.541 0.676 -1.550) 3.052 18.962 ( -2.257 2.378 -3.418) 4.737 19.710 ( 12.831 67.552 18.654) 71.246 20.558 ( -4.898 23.716 5.294) 24.789 23.352 ( -17.197 -79.355 -18.204) 83.213 23.864 ( -1.105 -3.015 -4.670) 5.667 ======================= Grid point 107 (34/251) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 10.404 -23.621 13.438) 29.099 1.751 ( -1.012 -17.184 57.192) 59.726 2.046 ( 47.034 -5.944 1.491) 47.432 2.534 ( 18.480 -10.277 -0.392) 21.149 3.053 ( 3.021 0.350 -3.826) 4.888 3.352 ( 3.197 5.219 0.951) 6.194 3.662 ( 1.008 1.558 -0.058) 1.857 3.797 ( -7.938 6.172 -2.212) 10.296 3.899 ( -2.809 -4.006 -5.620) 7.451 4.193 ( 3.547 1.940 8.857) 9.736 4.864 ( -8.099 -7.446 1.348) 11.084 5.779 ( -5.689 5.006 -1.632) 7.751 5.886 ( -4.366 2.585 5.310) 7.345 6.279 ( 10.129 -4.931 -1.629) 11.382 6.788 ( 0.365 7.491 9.800) 12.340 6.957 ( 1.593 -0.207 -2.595) 3.052 7.084 ( 1.525 1.595 1.716) 2.795 7.120 ( 3.229 -0.706 0.944) 3.438 7.356 ( -0.801 -6.156 2.344) 6.635 7.700 ( -0.514 -2.383 3.108) 3.950 8.462 ( -0.947 1.845 -13.086) 13.249 8.787 ( 3.449 8.719 -7.490) 12.001 9.927 ( 6.594 5.854 -3.234) 9.391 10.393 ( -0.753 -4.032 19.366) 19.796 11.487 ( 4.640 0.491 -20.168) 20.700 12.105 ( -41.362 14.520 90.806) 100.833 12.460 ( -8.779 -1.271 18.806) 20.793 12.523 ( -2.767 -0.263 10.875) 11.224 13.533 ( 9.872 1.415 6.129) 11.706 15.136 ( -0.422 0.005 -6.300) 6.314 18.576 ( -6.552 0.804 -0.469) 6.618 18.876 ( -1.054 7.088 -2.683) 7.651 19.482 ( 12.745 40.394 10.456) 43.628 20.363 ( -6.642 3.318 0.150) 7.427 23.569 ( -16.484 -46.786 -10.864) 50.781 23.869 ( -0.884 -4.152 -4.911) 6.491 ======================= Grid point 108 (35/251) ======================= q-point: ( 0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 11.343 -17.069 10.142) 22.866 2.069 ( 3.159 -22.697 42.342) 48.145 2.703 ( 23.740 2.122 1.054) 23.858 2.874 ( 11.090 -0.076 -0.172) 11.091 3.137 ( 5.190 -0.837 -6.300) 8.205 3.333 ( -1.745 -2.407 -1.931) 3.546 3.623 ( -3.641 3.552 2.355) 5.605 3.629 ( -3.032 3.507 2.211) 5.136 3.933 ( 7.941 -3.696 -2.604) 9.137 4.261 ( 5.555 4.966 10.509) 12.882 4.798 ( -9.770 -11.625 1.433) 15.252 5.637 ( -4.925 2.201 -8.143) 9.768 5.813 ( -2.774 3.663 5.222) 6.956 6.497 ( 11.225 -1.301 -0.309) 11.305 6.770 ( 1.128 4.130 7.797) 8.895 6.942 ( -1.587 2.095 -7.433) 7.884 7.080 ( 2.990 2.152 0.276) 3.694 7.220 ( 4.384 -0.460 4.609) 6.377 7.433 ( 0.762 -8.177 4.843) 9.535 7.711 ( -1.486 -1.881 5.336) 5.850 8.290 ( -12.171 4.233 -5.044) 13.838 8.759 ( 5.057 10.419 -7.740) 13.929 9.971 ( 4.592 3.968 -3.032) 6.784 10.471 ( -0.342 -5.775 16.500) 17.485 11.511 ( 3.440 0.971 -16.370) 16.756 11.721 ( -17.290 2.777 75.006) 77.023 12.390 ( -4.506 -0.780 7.892) 9.121 12.544 ( 0.493 0.254 11.141) 11.155 13.733 ( 12.206 1.828 7.735) 14.565 15.121 ( 0.436 0.229 -5.287) 5.310 18.431 ( -8.509 1.222 -0.207) 8.598 18.808 ( 0.707 5.461 -3.288) 6.413 19.400 ( 7.988 22.248 1.494) 23.686 20.235 ( -5.726 0.830 -3.076) 6.553 23.647 ( -10.141 -26.900 -6.949) 29.576 23.886 ( -0.153 -3.661 -4.671) 5.937 ======================= Grid point 109 (36/251) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 10.465 -12.276 3.430) 16.492 2.376 ( 0.745 -14.149 29.534) 32.757 2.846 ( 0.806 3.369 0.388) 3.486 2.977 ( -0.550 4.133 2.886) 5.071 3.118 ( 4.401 6.126 3.620) 8.366 3.297 ( -3.867 -2.705 -2.215) 5.213 3.514 ( -5.748 0.779 -1.753) 6.060 3.653 ( 0.725 -3.712 0.975) 3.906 4.265 ( 20.747 -2.269 -0.040) 20.871 4.342 ( 4.929 0.923 11.909) 12.922 4.742 ( -7.277 -8.459 0.232) 11.161 5.536 ( -2.987 0.846 -8.719) 9.255 5.750 ( -1.657 2.667 1.925) 3.683 6.628 ( 4.611 6.539 -3.193) 8.614 6.810 ( 2.545 -2.925 6.679) 7.723 6.878 ( 0.724 2.577 -6.223) 6.775 7.130 ( 3.995 2.644 2.417) 5.366 7.283 ( 1.280 -0.793 3.620) 3.920 7.529 ( -0.126 -8.444 3.799) 9.260 7.719 ( -0.795 -1.913 8.940) 9.177 8.000 ( -14.997 3.139 1.770) 15.423 8.740 ( 4.441 8.267 -6.190) 11.242 10.005 ( 2.814 0.841 -4.331) 5.233 10.539 ( -2.081 -5.292 15.012) 16.053 11.525 ( 3.008 0.812 -13.301) 13.661 11.676 ( -6.011 -0.819 62.563) 62.856 12.352 ( -2.325 -0.830 6.395) 6.855 12.577 ( 0.359 0.076 14.487) 14.492 13.914 ( 7.213 1.295 7.525) 10.504 15.131 ( 2.433 0.738 -2.704) 3.712 18.281 ( -6.729 1.114 -1.397) 6.962 18.780 ( -0.052 0.753 -3.949) 4.020 19.340 ( 3.621 12.770 -4.227) 13.930 20.139 ( -3.358 0.773 -5.135) 6.184 23.687 ( -4.219 -12.362 -5.299) 14.096 23.908 ( 0.884 -1.640 -4.065) 4.471 ======================= Grid point 110 (37/251) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.369 2.069 -2.232) 3.066 2.429 ( -3.594 -0.485 16.307) 16.706 2.749 ( -5.572 4.960 5.583) 9.318 3.024 ( 0.477 -13.189 13.040) 18.554 3.081 ( -8.292 -2.265 -0.839) 8.637 3.320 ( 4.476 1.779 1.497) 5.044 3.478 ( 2.950 0.170 -2.544) 3.899 3.653 ( -2.101 -0.116 1.670) 2.687 4.384 ( -1.478 -1.247 11.695) 11.853 4.531 ( 3.324 1.658 -1.205) 3.905 4.710 ( 0.551 2.625 -0.349) 2.704 5.498 ( -0.526 -4.254 -5.928) 7.315 5.729 ( 1.308 1.125 0.105) 1.728 6.568 ( -1.069 8.069 -5.293) 9.709 6.814 ( 0.233 -0.207 -3.896) 3.909 6.954 ( 1.975 -2.481 2.697) 4.163 7.153 ( 0.157 2.141 2.156) 3.042 7.308 ( 0.584 -0.417 2.852) 2.941 7.572 ( -1.192 0.866 1.037) 1.802 7.755 ( 0.370 -1.410 10.366) 10.468 7.826 ( -6.105 -10.018 8.412) 14.436 8.738 ( 3.261 4.147 -4.488) 6.927 10.030 ( 1.117 -0.939 -5.595) 5.782 10.551 ( -5.303 -3.980 15.171) 16.557 11.536 ( 2.859 0.520 -19.159) 19.379 11.776 ( -0.512 -2.470 65.843) 65.891 12.357 ( 0.092 -1.486 6.315) 6.488 12.625 ( 0.222 -1.488 22.830) 22.879 13.962 ( -2.721 0.425 5.649) 6.284 15.178 ( 4.007 1.294 0.410) 4.230 18.193 ( -1.382 0.734 -3.052) 3.430 18.761 ( -3.756 -5.261 -5.487) 8.479 19.276 ( 0.859 6.803 -7.739) 10.340 20.086 ( -0.098 1.325 -6.240) 6.380 23.704 ( 1.193 0.418 -4.802) 4.966 23.926 ( 1.941 1.361 -3.331) 4.089 ======================= Grid point 111 (38/251) ======================= q-point: (-0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.962 ( -10.929 14.198 6.934) 19.212 2.320 ( -10.750 10.730 17.222) 22.963 2.717 ( -1.275 -6.908 -1.674) 7.221 2.937 ( -10.298 -4.151 1.499) 11.204 3.175 ( 0.271 -12.119 7.262) 14.131 3.386 ( 0.169 -1.151 -3.592) 3.776 3.490 ( 0.230 1.268 5.009) 5.172 3.691 ( 7.119 0.393 1.801) 7.354 4.235 ( -17.360 10.479 -0.153) 20.278 4.443 ( -9.134 -6.160 9.017) 14.236 4.709 ( 7.065 12.647 -0.411) 14.492 5.558 ( 1.277 -7.723 -3.325) 8.505 5.777 ( 4.474 0.390 1.584) 4.762 6.450 ( -1.742 7.860 -6.795) 10.535 6.859 ( 2.565 -5.084 -2.318) 6.149 6.936 ( -5.690 -2.460 -2.400) 6.647 7.126 ( -1.575 0.882 1.956) 2.662 7.319 ( -0.033 0.913 2.546) 2.705 7.503 ( -1.964 4.833 4.966) 7.202 7.804 ( -0.135 -0.618 13.444) 13.459 7.967 ( 4.908 -14.762 0.636) 15.569 8.759 ( 1.923 -0.520 -2.680) 3.339 10.031 ( -1.092 -1.768 -6.949) 7.253 10.498 ( -7.837 -2.472 16.684) 18.598 11.531 ( 2.056 0.282 -20.482) 20.587 11.981 ( 4.430 -4.084 60.228) 60.528 12.405 ( 1.566 -2.134 6.740) 7.241 12.741 ( 1.510 -7.066 47.538) 48.084 13.851 ( -10.304 -0.221 4.493) 11.244 15.231 ( 2.782 1.350 1.248) 3.335 18.212 ( 4.620 0.156 -4.159) 6.218 18.711 ( -9.679 -12.689 -9.921) 18.791 19.214 ( -0.768 3.252 -8.683) 9.304 20.083 ( 3.205 2.411 -6.555) 7.684 23.699 ( 6.638 13.287 -5.240) 15.750 23.934 ( 2.699 4.343 -2.753) 5.808 ======================= Grid point 112 (39/251) ======================= q-point: (-0.30 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -12.735 17.338 13.746) 25.529 2.002 ( -16.155 14.561 25.338) 33.392 2.633 ( -16.094 -5.097 0.891) 16.905 2.854 ( -5.260 -2.083 2.922) 6.367 3.259 ( -6.759 -0.536 -4.448) 8.109 3.320 ( 4.639 -1.448 -0.323) 4.871 3.484 ( -17.168 -2.038 6.633) 18.518 3.770 ( -7.874 5.370 -4.210) 10.419 3.844 ( 6.217 2.029 5.549) 8.577 4.381 ( -6.982 -5.544 5.882) 10.680 4.706 ( 6.548 13.185 -2.584) 14.947 5.653 ( 1.883 -7.357 0.416) 7.605 5.872 ( 6.254 0.830 4.228) 7.594 6.363 ( 0.456 4.559 -7.245) 8.572 6.828 ( -7.289 -1.990 -5.713) 9.472 6.960 ( 1.869 -7.259 0.584) 7.518 7.094 ( -2.164 -0.063 1.799) 2.815 7.296 ( -1.724 1.585 1.012) 2.551 7.466 ( -0.157 2.522 7.388) 7.809 7.813 ( -1.648 0.894 11.581) 11.732 8.177 ( 5.387 -10.214 -6.907) 13.456 8.799 ( 0.756 -3.987 -1.459) 4.312 9.987 ( -4.031 -1.919 -8.551) 9.646 10.415 ( -7.737 -1.428 19.220) 20.768 11.514 ( 1.182 -0.139 -20.157) 20.193 12.219 ( 5.954 -2.865 32.001) 32.676 12.467 ( 1.256 -2.224 6.819) 7.282 13.117 ( 9.866 -24.133 104.591) 107.791 13.674 ( -9.920 -0.809 8.795) 13.282 15.250 ( 0.633 0.947 -0.289) 1.175 18.308 ( 4.929 -2.959 -6.543) 8.710 18.616 ( -14.823 -20.122 -16.423) 29.905 19.149 ( -2.119 1.878 -7.212) 7.748 20.119 ( 5.910 4.613 -6.217) 9.740 23.667 ( 12.859 28.268 -6.948) 31.823 23.928 ( 2.939 6.256 -2.525) 7.359 ======================= Grid point 113 (40/251) ======================= q-point: (-0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -13.171 23.807 16.974) 32.068 1.646 ( -20.567 8.186 32.529) 39.346 2.289 ( -28.239 0.905 15.750) 32.346 2.593 ( -23.907 12.801 8.437) 28.401 3.062 ( -12.974 -1.276 -0.076) 13.037 3.125 ( -4.829 2.269 -4.311) 6.859 3.489 ( 7.988 -0.783 -3.215) 8.646 3.792 ( 2.055 -7.585 -3.955) 8.797 3.968 ( 4.913 -1.256 4.273) 6.631 4.313 ( -3.998 2.153 1.115) 4.676 4.698 ( 4.853 7.963 -2.250) 9.593 5.746 ( 1.506 -5.335 3.181) 6.391 5.994 ( 6.566 0.443 6.467) 9.227 6.355 ( 2.731 0.290 -8.446) 8.881 6.708 ( -5.578 -0.030 -6.015) 8.204 7.040 ( -1.674 -3.732 3.308) 5.260 7.074 ( -1.403 -6.781 3.293) 7.668 7.244 ( -2.889 0.830 0.207) 3.013 7.469 ( 1.106 3.198 6.764) 7.564 7.784 ( -1.895 3.240 7.017) 7.958 8.274 ( -0.188 -4.785 -11.883) 12.812 8.844 ( -0.071 -4.781 -1.700) 5.074 9.898 ( -5.402 -1.706 -8.672) 10.358 10.352 ( -5.662 -0.908 20.827) 21.602 11.487 ( 0.352 -0.397 -19.245) 19.252 12.358 ( 3.321 -0.781 11.574) 12.066 12.508 ( -0.455 -1.713 6.279) 6.525 13.437 ( -9.380 -5.277 8.443) 13.679 14.325 ( 46.419 -57.354 174.265) 189.242 15.240 ( -0.571 0.478 -2.422) 2.534 18.287 ( -25.063 -30.719 -28.706) 48.947 18.565 ( 0.120 -7.188 -7.472) 10.369 19.079 ( -2.158 1.921 -4.395) 5.259 20.166 ( 8.017 9.304 -5.215) 13.343 23.588 ( 20.376 49.559 -11.252) 54.753 23.912 ( 2.555 6.363 -2.708) 7.372 ======================= Grid point 114 (41/251) ======================= q-point: (-0.10 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -11.756 23.054 24.016) 35.306 1.155 ( -41.285 3.093 16.353) 44.513 1.796 ( -25.272 7.510 60.389) 65.893 2.140 ( -14.109 8.709 0.355) 16.584 2.965 ( -3.730 -2.032 3.652) 5.602 3.043 ( -1.675 1.022 -4.056) 4.506 3.574 ( 5.904 6.935 -6.699) 11.306 3.901 ( 0.412 -11.971 -0.001) 11.978 4.041 ( 0.362 -2.934 2.809) 4.078 4.199 ( -3.064 9.317 0.574) 9.825 4.738 ( 5.589 2.282 0.246) 6.042 5.818 ( 1.540 -2.930 6.119) 6.957 6.080 ( 1.459 0.188 3.797) 4.072 6.366 ( -1.592 -1.262 -14.219) 14.364 6.660 ( 2.754 0.706 3.855) 4.790 7.000 ( -3.103 0.130 -0.652) 3.173 7.172 ( -2.857 -14.984 6.962) 16.768 7.193 ( -1.988 -0.316 0.547) 2.086 7.439 ( -1.380 8.718 3.541) 9.510 7.722 ( -2.277 3.780 1.355) 4.616 8.224 ( -3.453 0.033 -7.421) 8.185 8.871 ( -0.557 -3.245 -2.860) 4.361 9.820 ( -2.603 -1.459 -7.479) 8.052 10.324 ( -3.622 -0.331 21.206) 21.516 11.454 ( 0.504 -0.277 -18.229) 18.238 12.420 ( 1.510 -0.192 7.297) 7.454 12.510 ( -1.850 -0.885 5.047) 5.447 13.355 ( -4.405 -2.235 2.784) 5.670 15.214 ( -0.962 0.114 -4.300) 4.407 16.961 ( 123.333 -101.024 175.919) 237.412 17.854 ( -70.519 -84.787 -39.143) 117.021 18.650 ( 5.378 -0.417 -0.958) 5.479 19.029 ( -0.930 1.364 -2.501) 2.997 20.191 ( 11.952 21.899 -2.908) 25.117 23.356 ( 22.903 84.218 -19.187) 89.361 23.892 ( 1.376 4.139 -3.278) 5.457 ======================= Grid point 116 (42/251) ======================= q-point: ( 0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 16.703 0.000 18.385) 24.839 1.593 ( -2.901 -0.000 64.828) 64.893 1.998 ( 53.053 0.000 -0.586) 53.056 2.435 ( 20.622 0.000 0.242) 20.623 3.058 ( 2.494 0.000 -4.377) 5.038 3.451 ( -5.691 -0.000 -5.396) 7.843 3.589 ( 13.328 0.000 -4.500) 14.067 3.818 ( -8.946 -0.000 -3.073) 9.459 3.951 ( -4.527 -0.000 0.242) 4.533 4.192 ( 6.099 0.000 9.675) 11.437 4.790 ( -11.207 -0.000 3.951) 11.883 5.840 ( -10.516 -0.000 -3.255) 11.009 5.905 ( -2.664 -0.000 7.148) 7.629 6.228 ( 13.611 0.000 -1.436) 13.686 6.884 ( -2.897 -0.000 15.140) 15.414 6.945 ( 2.715 0.000 -3.277) 4.255 7.102 ( -1.382 -0.000 -2.838) 3.157 7.106 ( 6.519 0.000 7.109) 9.645 7.280 ( -1.284 -0.000 1.628) 2.073 7.676 ( -0.018 -0.000 0.930) 0.930 8.479 ( 0.923 0.000 -16.506) 16.532 8.876 ( 4.603 0.000 -11.100) 12.016 10.001 ( 8.137 0.000 -4.065) 9.096 10.344 ( -3.852 -0.000 22.672) 22.997 11.490 ( 4.762 0.000 -21.390) 21.914 12.287 ( -61.998 -0.000 110.587) 126.780 12.418 ( -3.144 -0.000 4.537) 5.520 12.519 ( -1.383 -0.000 10.532) 10.622 13.545 ( 10.345 0.000 6.040) 11.979 15.136 ( -0.368 -0.000 -6.164) 6.175 18.584 ( -6.520 -0.000 -0.249) 6.525 18.907 ( -3.615 -0.000 -5.090) 6.243 20.022 ( -0.954 -0.000 1.578) 1.844 20.476 ( -16.229 -0.000 3.716) 16.649 22.916 ( 3.657 0.000 2.353) 4.348 23.844 ( 0.897 0.000 -5.214) 5.291 ======================= Grid point 117 (43/251) ======================= q-point: ( 0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 20.309 -9.138 11.776) 25.192 1.760 ( 2.768 -9.231 52.658) 53.533 2.763 ( 26.844 3.974 -0.458) 27.141 2.838 ( 27.447 -3.519 -1.529) 27.714 3.102 ( 5.071 -1.188 -6.183) 8.085 3.324 ( -6.430 0.397 -5.186) 8.270 3.629 ( -8.886 1.463 -4.058) 9.878 3.801 ( 5.373 2.583 0.973) 6.040 3.842 ( -0.115 0.180 -1.072) 1.093 4.325 ( 5.827 1.765 10.975) 12.550 4.606 ( -12.660 -7.509 6.180) 15.964 5.677 ( -5.656 1.665 -7.776) 9.759 5.854 ( -3.824 0.861 3.663) 5.365 6.477 ( 13.518 -0.450 4.035) 14.114 6.860 ( -0.658 4.349 10.401) 11.293 6.957 ( -1.319 -0.258 -5.510) 5.672 7.103 ( 2.861 0.392 -0.829) 3.004 7.210 ( 3.351 -0.116 6.196) 7.045 7.297 ( -0.544 -5.385 3.629) 6.517 7.675 ( -1.222 -1.296 2.343) 2.943 8.364 ( -8.754 2.651 -10.697) 14.074 8.915 ( 5.101 5.174 -12.898) 14.804 10.083 ( 4.670 7.067 -0.539) 8.488 10.343 ( -4.113 -7.213 20.481) 22.100 11.520 ( 4.094 0.166 -21.910) 22.290 11.759 ( -25.264 1.178 85.484) 89.147 12.374 ( -3.597 -0.696 5.211) 6.370 12.547 ( 0.513 0.077 11.527) 11.539 13.756 ( 11.724 0.657 7.817) 14.106 15.124 ( 0.642 0.107 -4.827) 4.870 18.447 ( -8.595 0.477 0.091) 8.609 18.825 ( -4.635 -0.650 -5.641) 7.330 19.898 ( 0.813 22.468 0.571) 22.490 20.243 ( -9.029 -0.007 -2.237) 9.302 23.116 ( 2.450 -22.385 0.361) 22.522 23.870 ( 3.327 -0.102 -4.997) 6.004 ======================= Grid point 118 (44/251) ======================= q-point: ( 0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 17.183 -6.041 9.884) 20.723 2.072 ( 7.566 -15.940 35.852) 39.959 2.939 ( 2.930 6.727 -2.620) 7.791 3.082 ( 3.627 4.738 -3.788) 7.068 3.200 ( -5.168 -1.442 -5.049) 7.367 3.282 ( 8.051 3.181 -2.641) 9.051 3.518 ( -3.518 -1.058 -3.076) 4.791 3.663 ( -2.247 6.646 6.809) 9.776 4.140 ( 19.124 -7.923 -2.761) 20.884 4.318 ( -10.340 -6.100 13.146) 17.803 4.622 ( 5.713 -3.603 5.201) 8.525 5.575 ( -2.032 2.717 -10.125) 10.678 5.785 ( -3.512 0.900 1.443) 3.902 6.699 ( 9.836 0.387 4.770) 10.938 6.814 ( -2.128 4.538 4.774) 6.922 6.919 ( 0.223 1.279 -4.996) 5.162 7.165 ( 3.843 0.856 1.755) 4.311 7.249 ( -1.361 -2.315 5.419) 6.048 7.353 ( -1.984 -8.538 5.347) 10.267 7.672 ( -1.741 -2.618 4.658) 5.619 8.116 ( -11.595 6.868 -4.296) 14.144 8.902 ( 3.266 7.935 -9.157) 12.549 10.063 ( 1.176 5.827 1.630) 6.163 10.405 ( -3.126 -9.236 14.106) 17.148 11.535 ( 3.151 0.289 -18.909) 19.172 11.651 ( -9.155 -1.586 67.986) 68.618 12.336 ( -2.543 -0.754 5.129) 5.775 12.578 ( -0.034 0.071 13.944) 13.945 13.932 ( 6.270 0.693 7.587) 9.867 15.143 ( 2.870 0.524 -1.795) 3.425 18.298 ( -7.179 0.706 -0.956) 7.277 18.737 ( -6.165 -3.167 -5.998) 9.166 19.701 ( 0.990 22.510 -2.860) 22.713 20.133 ( -4.413 -1.893 -4.806) 6.794 23.353 ( 2.945 -19.064 -1.008) 19.316 23.936 ( 6.274 1.909 -4.504) 7.956 ======================= Grid point 119 (45/251) ======================= q-point: ( 0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 13.616 -3.800 4.477) 14.828 2.370 ( 3.541 -7.299 22.678) 24.086 2.866 ( -3.050 2.047 -3.110) 4.813 2.923 ( -9.590 6.396 -0.881) 11.561 3.092 ( -7.000 4.380 3.122) 8.827 3.382 ( 5.353 4.674 0.083) 7.107 3.459 ( 2.670 -1.870 -2.062) 3.857 3.662 ( -0.212 1.643 3.373) 3.758 4.224 ( -12.197 -12.790 11.755) 21.226 4.490 ( 9.179 -7.126 -1.440) 11.709 4.786 ( 10.994 4.002 3.904) 12.334 5.495 ( -1.726 3.587 -8.450) 9.340 5.743 ( -0.412 0.009 0.334) 0.530 6.700 ( -2.426 6.435 -3.023) 7.512 6.810 ( -1.206 -1.272 2.823) 3.323 6.939 ( 2.463 1.487 -1.867) 3.429 7.180 ( -1.939 0.665 3.463) 4.024 7.273 ( 0.392 -3.117 5.035) 5.935 7.414 ( -1.480 -11.813 3.749) 12.482 7.695 ( -1.132 -4.499 9.047) 10.168 7.874 ( -5.940 8.994 0.121) 10.779 8.856 ( 1.616 7.579 -5.079) 9.265 10.042 ( 0.626 2.397 -2.631) 3.614 10.439 ( -5.566 -8.018 13.286) 16.486 11.542 ( 2.702 0.161 -20.129) 20.310 11.719 ( -2.974 -3.456 65.524) 65.683 12.329 ( -0.676 -1.419 5.294) 5.522 12.605 ( -1.154 -0.711 18.534) 18.583 13.966 ( -3.723 0.125 5.831) 6.920 15.202 ( 4.290 1.154 1.490) 4.685 18.206 ( -1.847 0.577 -2.648) 3.280 18.634 ( -9.667 -6.692 -7.212) 13.793 19.520 ( -0.068 16.852 -5.370) 17.687 20.095 ( -0.115 -0.533 -5.416) 5.443 23.558 ( 4.890 -11.779 -1.919) 12.897 24.027 ( 9.297 5.881 -4.098) 11.740 ======================= Grid point 120 (46/251) ======================= q-point: (-0.50 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -0.316 17.128 0.260) 17.133 2.400 ( -1.519 -2.617 7.608) 8.188 2.726 ( -5.460 6.835 5.102) 10.127 2.842 ( -7.205 -8.283 4.331) 11.802 2.962 ( -4.495 -3.533 11.118) 12.502 3.425 ( 5.375 4.048 -4.592) 8.146 3.536 ( -1.139 2.698 2.419) 3.798 3.659 ( 4.741 -3.787 -0.343) 6.078 4.176 ( -9.726 -12.080 9.324) 18.096 4.478 ( -13.133 3.765 3.880) 14.202 4.918 ( 10.334 9.773 -0.778) 14.244 5.450 ( 0.105 -2.378 -4.573) 5.156 5.781 ( 4.055 -0.328 1.853) 4.471 6.585 ( -3.218 6.400 -3.930) 8.171 6.792 ( -1.344 -2.283 -1.642) 3.116 6.899 ( -4.871 -1.416 -3.077) 5.933 7.138 ( -3.057 0.650 3.309) 4.552 7.303 ( -1.459 -2.379 5.773) 6.412 7.522 ( -0.860 -7.879 0.716) 7.958 7.716 ( -3.166 -4.551 11.005) 12.323 7.830 ( 7.379 1.238 2.265) 7.817 8.806 ( 0.318 5.135 -1.710) 5.421 10.018 ( -1.132 0.255 -7.031) 7.126 10.419 ( -7.305 -5.932 14.981) 17.692 11.535 ( 1.684 0.141 -20.272) 20.342 11.887 ( 1.035 -5.937 64.541) 64.821 12.360 ( 0.668 -2.456 5.863) 6.392 12.642 ( -2.564 -3.731 30.027) 30.366 13.843 ( -11.215 -0.610 4.891) 12.251 15.257 ( 2.612 1.455 2.060) 3.631 18.215 ( 3.668 0.286 -3.929) 5.383 18.487 ( -13.818 -10.307 -10.110) 19.985 19.372 ( -0.769 11.571 -5.638) 12.894 20.112 ( 3.588 0.927 -5.273) 6.445 23.727 ( 6.634 -4.518 -2.933) 8.545 24.129 ( 12.648 11.453 -4.237) 17.581 ======================= Grid point 121 (47/251) ======================= q-point: (-0.40 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -7.970 20.800 11.020) 24.852 2.254 ( -12.668 11.185 5.346) 17.724 2.615 ( -6.674 4.741 5.944) 10.117 2.806 ( -1.458 -3.599 5.006) 6.336 3.030 ( -3.886 -15.284 6.047) 16.890 3.362 ( -4.859 4.129 -0.094) 6.377 3.540 ( 2.343 3.439 0.218) 4.167 3.811 ( 5.673 -2.021 -3.600) 7.016 3.997 ( -17.382 11.545 6.554) 21.872 4.216 ( -10.346 -10.072 10.979) 18.139 4.954 ( 6.944 12.914 -6.382) 15.991 5.517 ( 2.394 -6.784 0.017) 7.194 5.881 ( 6.139 0.060 4.689) 7.725 6.462 ( -2.703 5.911 -6.295) 9.048 6.775 ( -5.463 -3.977 -1.335) 6.888 6.861 ( 0.449 -3.187 -4.208) 5.297 7.085 ( -3.454 -0.891 2.197) 4.190 7.291 ( -3.573 -1.888 5.555) 6.869 7.506 ( -2.158 0.438 1.098) 2.461 7.753 ( -2.976 -7.109 11.150) 13.554 8.025 ( 10.234 -4.935 -2.134) 11.560 8.772 ( -0.470 1.540 0.789) 1.793 9.957 ( -4.551 -1.580 -9.696) 10.827 10.373 ( -6.385 -2.993 17.195) 18.585 11.511 ( 0.589 -0.168 -19.517) 19.526 12.129 ( 4.412 -7.398 50.300) 51.032 12.413 ( 0.563 -3.419 6.472) 7.341 12.750 ( -4.119 -14.209 62.985) 64.700 13.650 ( -12.257 -1.652 6.105) 13.793 15.271 ( 0.252 1.244 0.144) 1.277 18.191 ( -14.277 -8.679 -13.425) 21.433 18.397 ( 2.494 -4.426 -5.396) 7.412 19.254 ( -1.555 7.831 -4.575) 9.203 20.174 ( 6.151 2.036 -4.606) 7.949 23.852 ( 6.724 1.137 -4.106) 7.961 24.244 ( 17.898 18.585 -5.895) 26.467 ======================= Grid point 122 (48/251) ======================= q-point: (-0.30 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -7.889 20.887 20.497) 30.309 1.844 ( -22.375 14.723 7.054) 27.697 2.410 ( -11.132 11.878 15.728) 22.636 2.776 ( -7.149 5.696 5.650) 10.746 2.987 ( -14.647 -7.363 0.433) 16.400 3.281 ( -13.660 14.896 3.453) 20.504 3.367 ( 3.752 -8.088 5.736) 10.602 3.775 ( 4.954 2.807 -7.586) 9.485 3.968 ( 4.791 0.528 2.100) 5.257 4.214 ( -5.204 -10.996 7.228) 14.150 4.913 ( 4.564 13.409 -8.363) 16.449 5.629 ( 2.494 -6.766 3.324) 7.941 6.000 ( 6.031 0.188 5.918) 8.452 6.374 ( -1.074 2.122 -8.871) 9.184 6.703 ( -4.003 -0.881 -1.753) 4.458 6.897 ( -2.170 -6.649 2.424) 7.402 7.047 ( -2.616 -0.991 0.673) 2.877 7.243 ( -4.400 -1.258 2.731) 5.330 7.491 ( 0.245 -0.558 0.471) 0.770 7.781 ( -2.262 -4.535 8.712) 10.079 8.195 ( 5.197 -3.136 -5.840) 8.423 8.768 ( -0.597 -2.074 1.417) 2.582 9.855 ( -6.712 -3.095 -9.617) 12.129 10.336 ( -4.154 -0.616 18.619) 19.086 11.477 ( -0.111 -0.644 -18.373) 18.385 12.331 ( 4.055 -2.750 17.009) 17.700 12.460 ( -0.709 -3.597 6.089) 7.108 13.088 ( -7.107 -35.731 96.114) 102.786 13.572 ( -2.880 -14.347 39.462) 42.088 15.251 ( -0.911 0.795 -2.301) 2.599 17.899 ( -24.248 -11.605 -20.264) 33.665 18.523 ( 7.723 -1.038 -2.412) 8.158 19.154 ( -1.887 5.457 -3.325) 6.663 20.260 ( 7.142 2.798 -3.513) 8.436 23.916 ( 4.627 4.251 -5.061) 8.068 24.398 ( 26.398 27.319 -11.742) 39.762 ======================= Grid point 123 (49/251) ======================= q-point: (-0.20 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -36.394 10.378 10.662) 39.318 1.426 ( -4.278 28.754 21.117) 35.931 2.084 ( -13.813 23.608 40.436) 48.818 2.400 ( -15.027 17.818 4.198) 23.683 2.903 ( -2.657 -4.299 6.072) 7.900 3.082 ( -3.011 3.496 -3.170) 5.598 3.567 ( 4.829 -13.337 6.328) 15.532 3.818 ( 6.591 7.569 -15.341) 18.332 4.018 ( 0.514 -0.611 2.884) 2.993 4.237 ( -3.261 -5.660 3.069) 7.218 4.857 ( 4.377 10.723 -5.169) 12.683 5.729 ( 1.068 -6.062 5.304) 8.125 6.086 ( 1.992 0.290 3.755) 4.261 6.336 ( -1.479 -1.420 -11.849) 12.025 6.674 ( 0.932 0.237 5.213) 5.301 6.923 ( -4.787 -10.489 7.513) 13.761 7.004 ( -2.836 0.160 -0.502) 2.885 7.187 ( -3.103 -0.856 0.402) 3.244 7.504 ( -0.029 -0.431 -1.925) 1.973 7.789 ( -1.135 0.552 2.839) 3.107 8.235 ( 0.787 1.182 -4.582) 4.797 8.788 ( -0.781 -4.161 -0.366) 4.250 9.768 ( -4.248 -4.259 -7.679) 9.754 10.321 ( -2.492 0.407 19.678) 19.839 11.444 ( 0.317 -0.797 -17.356) 17.377 12.414 ( 1.782 -0.505 7.226) 7.460 12.477 ( -2.024 -2.907 4.869) 6.021 13.250 ( -7.373 -12.121 17.148) 22.256 14.346 ( -7.911 -108.277 161.095) 194.263 15.221 ( -1.101 0.280 -4.115) 4.269 17.533 ( -14.455 -0.940 -13.677) 19.922 18.641 ( 5.179 -0.613 -1.360) 5.390 19.078 ( -1.202 3.795 -2.562) 4.734 20.349 ( 6.560 2.806 -1.984) 7.406 23.918 ( 2.076 5.027 -5.830) 7.973 24.590 ( 32.439 37.353 -28.689) 57.188 ======================= Grid point 124 (50/251) ======================= q-point: (-0.10 0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -9.908 16.481 16.305) 25.212 1.113 ( -2.233 36.198 18.988) 40.937 1.757 ( -12.777 19.189 64.898) 68.871 2.124 ( 0.494 14.693 -0.430) 14.708 2.967 ( 3.792 -3.512 6.477) 8.286 3.051 ( 3.367 0.989 -1.554) 3.838 3.757 ( -2.580 -4.643 -5.580) 7.704 3.787 ( 9.180 5.725 -6.070) 12.405 4.016 ( -2.526 -1.554 1.417) 3.287 4.195 ( -3.907 1.845 3.999) 5.888 4.874 ( 5.898 4.492 -0.494) 7.431 5.801 ( -0.571 -6.734 6.250) 9.206 6.075 ( -2.284 1.247 1.269) 2.896 6.259 ( -5.557 0.824 -9.042) 10.645 6.760 ( 3.674 -3.772 12.413) 13.484 6.936 ( -3.865 -5.417 1.360) 6.792 6.969 ( -3.141 -4.529 4.430) 7.071 7.159 ( -1.357 -0.747 -0.372) 1.593 7.459 ( -3.337 4.169 -2.880) 6.067 7.724 ( -2.414 4.976 0.081) 5.531 8.260 ( 6.893 2.438 -2.984) 7.897 8.810 ( -1.159 -5.095 -2.641) 5.854 9.769 ( 1.504 -4.429 -5.963) 7.579 10.327 ( -1.345 0.687 20.495) 20.550 11.433 ( 2.195 -0.568 -17.485) 17.632 12.452 ( 0.650 -0.260 7.417) 7.450 12.469 ( -2.630 -2.291 4.388) 5.606 13.281 ( -1.513 -7.284 7.557) 10.604 14.937 (-111.779 -121.965 106.825) 196.930 15.191 ( -2.194 -0.912 -4.640) 5.213 18.069 ( 55.062 -59.063 50.652) 95.319 18.706 ( 1.795 -2.635 1.932) 3.727 19.036 ( 0.681 2.228 -2.053) 3.105 20.431 ( 4.615 -0.955 0.413) 4.731 23.879 ( 0.383 4.911 -7.437) 8.921 24.466 ( 2.769 60.292 -54.201) 81.121 ======================= Grid point 127 (51/251) ======================= q-point: ( 0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 23.684 0.000 8.862) 25.288 1.899 ( 6.060 0.000 41.449) 41.890 3.051 ( 8.422 0.000 -3.980) 9.315 3.088 ( 2.507 0.000 -3.672) 4.446 3.170 ( -9.379 -0.000 -8.154) 12.428 3.320 ( 15.167 0.000 -3.272) 15.516 3.507 ( -2.033 -0.000 -1.958) 2.823 3.776 ( -4.561 -0.000 3.011) 5.466 4.053 ( 18.316 0.000 -3.276) 18.607 4.215 ( -19.344 -0.000 15.592) 24.845 4.597 ( 11.339 0.000 7.738) 13.727 5.606 ( -1.257 -0.000 -9.409) 9.493 5.789 ( -4.211 -0.000 -0.200) 4.216 6.696 ( 8.382 0.000 9.998) 13.047 6.890 ( -3.734 -0.000 -6.660) 7.635 6.916 ( 2.957 0.000 8.545) 9.042 7.160 ( 2.796 0.000 -2.594) 3.814 7.231 ( -2.819 -0.000 6.580) 7.158 7.268 ( -0.745 -0.000 6.139) 6.184 7.645 ( -2.019 -0.000 2.457) 3.180 8.186 ( -10.164 -0.000 -7.148) 12.426 8.981 ( 2.776 0.000 -11.804) 12.126 10.191 ( 1.995 0.000 -3.567) 4.087 10.244 ( -5.692 -0.000 23.248) 23.935 11.537 ( 3.368 0.000 -22.061) 22.317 11.634 ( -10.541 -0.000 71.129) 71.906 12.329 ( -2.463 -0.000 4.510) 5.139 12.579 ( -0.155 -0.000 13.838) 13.839 13.939 ( 5.895 0.000 7.616) 9.631 15.148 ( 3.038 0.000 -1.443) 3.364 18.305 ( -7.358 -0.000 -0.802) 7.402 18.705 ( -7.176 -0.000 -6.100) 9.419 20.010 ( 1.288 0.000 -2.725) 3.013 20.044 ( -10.480 -0.000 -6.158) 12.155 23.149 ( 9.577 0.000 1.949) 9.773 23.954 ( 7.437 0.000 -4.635) 8.763 ======================= Grid point 128 (52/251) ======================= q-point: ( 0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 10.552 -0.344 21.884) 24.297 2.214 ( 16.326 -7.106 14.052) 22.683 2.912 ( -13.279 1.630 -9.556) 16.441 3.046 ( -1.025 7.490 -4.989) 9.057 3.161 ( 2.068 -1.874 -4.795) 5.548 3.453 ( 4.168 2.037 -0.375) 4.654 3.481 ( -2.450 5.045 -0.997) 5.697 3.731 ( 1.844 6.277 7.303) 9.805 3.972 ( -16.635 -13.373 15.644) 26.463 4.346 ( 10.019 -6.023 -2.010) 11.862 4.829 ( 13.147 0.982 5.878) 14.435 5.580 ( 1.452 4.092 -7.993) 9.096 5.724 ( -2.857 -1.648 -1.482) 3.616 6.778 ( -1.238 -1.385 9.767) 9.942 6.793 ( -3.945 3.181 -4.448) 6.743 6.991 ( 1.492 2.936 -0.306) 3.308 7.179 ( -1.867 -0.440 8.246) 8.466 7.189 ( -1.279 -4.735 -2.089) 5.331 7.284 ( -0.676 -2.511 7.891) 8.309 7.625 ( -2.106 -2.369 4.306) 5.347 8.012 ( -5.174 4.610 -3.846) 7.926 8.967 ( 0.335 3.645 -7.321) 8.185 10.121 ( -1.790 6.190 1.165) 6.548 10.278 ( -4.148 -8.848 13.014) 16.274 11.543 ( 2.626 -0.050 -20.747) 20.913 11.668 ( -4.255 -1.681 65.119) 65.280 12.311 ( -0.924 -0.494 4.455) 4.576 12.597 ( -1.690 -0.184 16.793) 16.879 13.967 ( -4.376 -0.007 5.955) 7.390 15.217 ( 4.448 0.463 2.158) 4.966 18.213 ( -2.077 0.236 -2.435) 3.209 18.549 ( -10.700 -2.403 -6.876) 12.944 19.796 ( -7.199 10.913 -7.038) 14.847 20.062 ( 1.742 -2.798 -4.309) 5.425 23.375 ( 11.481 -6.275 0.824) 13.110 24.099 ( 11.216 1.947 -4.370) 12.194 ======================= Grid point 129 (53/251) ======================= q-point: (-0.60 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 6.082 -4.375 11.780) 13.960 2.497 ( 8.592 1.830 8.806) 12.438 2.644 ( -13.706 -2.117 -6.549) 15.337 2.935 ( -0.943 9.798 -4.845) 10.971 3.078 ( -6.440 13.590 12.774) 19.732 3.455 ( 5.436 -4.365 -7.064) 9.925 3.533 ( 4.667 -1.571 0.251) 4.931 3.640 ( -9.284 1.619 7.910) 12.304 3.955 ( -4.042 -9.238 9.383) 13.774 4.441 ( -7.075 -6.919 2.456) 10.196 5.037 ( 11.730 3.479 1.664) 12.347 5.508 ( -1.111 7.621 -5.202) 9.294 5.752 ( 3.166 -3.184 0.627) 4.534 6.680 ( -4.191 4.290 -0.994) 6.080 6.757 ( -4.195 -1.980 4.217) 6.269 6.897 ( -5.654 1.055 -3.185) 6.575 7.152 ( -5.181 -0.295 5.950) 7.895 7.228 ( 0.451 -4.382 -1.360) 4.611 7.352 ( 0.846 -6.844 6.869) 9.733 7.632 ( -2.893 -4.701 7.447) 9.270 7.936 ( 4.217 7.028 -3.046) 8.744 8.907 ( -1.092 4.959 -2.864) 5.830 10.033 ( -4.431 1.145 -5.506) 7.159 10.304 ( -3.809 -5.893 14.654) 16.248 11.536 ( 1.562 -0.018 -19.792) 19.853 11.786 ( -1.757 -4.472 65.040) 65.217 12.325 ( 0.387 -1.276 4.598) 4.787 12.598 ( -3.686 -1.294 21.748) 22.097 13.832 ( -12.060 -0.558 5.140) 13.121 15.280 ( 2.447 0.944 2.724) 3.782 18.223 ( 3.345 0.553 -3.685) 5.007 18.348 ( -13.570 -5.074 -8.523) 16.809 19.575 ( -5.756 9.397 -6.527) 12.808 20.119 ( 4.570 -0.061 -4.242) 6.236 23.634 ( 11.993 -4.672 -0.814) 12.897 24.279 ( 14.248 5.090 -4.584) 15.809 ======================= Grid point 130 (54/251) ======================= q-point: (-0.50 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( -13.104 4.437 0.724) 13.854 2.470 ( -0.026 16.506 1.952) 16.621 2.612 ( -1.863 -11.801 6.282) 13.498 2.861 ( 1.470 12.828 3.886) 13.484 2.882 ( -6.335 1.617 15.099) 16.453 3.438 ( -10.400 3.047 4.063) 11.574 3.576 ( 5.390 0.228 -3.392) 6.373 3.711 ( 8.394 -9.184 -5.849) 13.749 3.978 ( -3.930 -6.792 9.746) 12.512 4.224 ( -19.439 4.365 9.348) 22.007 5.154 ( 7.599 8.221 -5.071) 12.289 5.452 ( 1.706 1.205 -1.386) 2.507 5.864 ( 5.690 -2.250 4.436) 7.557 6.564 ( -4.236 5.076 -1.980) 6.902 6.704 ( -4.853 -3.148 1.486) 5.972 6.829 ( -0.973 -0.876 -4.168) 4.368 7.067 ( -5.667 -1.067 4.178) 7.121 7.242 ( -3.124 -3.209 3.432) 5.642 7.417 ( -3.199 -8.814 1.891) 9.565 7.636 ( -3.224 -5.265 8.321) 10.361 8.019 ( 10.691 3.764 -4.390) 12.155 8.837 ( -1.412 4.602 0.568) 4.847 9.917 ( -8.182 -3.066 -8.218) 11.995 10.323 ( -1.940 -2.063 15.082) 15.346 11.509 ( 0.211 0.002 -18.621) 18.623 11.968 ( -0.776 -8.897 65.621) 66.226 12.361 ( 0.539 -2.081 4.768) 5.230 12.595 ( -6.121 -4.345 31.499) 32.381 13.619 ( -13.875 -1.636 5.366) 14.966 15.292 ( -0.164 1.060 0.596) 1.227 18.068 ( -16.999 -4.591 -11.398) 20.975 18.358 ( 7.979 -1.015 -3.202) 8.657 19.398 ( -4.553 7.314 -5.051) 9.987 20.202 ( 6.333 1.083 -3.715) 7.421 23.854 ( 10.765 -0.393 -2.585) 11.078 24.479 ( 17.229 7.970 -5.874) 19.871 ======================= Grid point 131 (55/251) ======================= q-point: (-0.40 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -18.925 8.124 8.786) 22.391 2.220 ( -7.349 22.853 7.822) 25.248 2.611 ( -6.383 1.657 8.878) 11.059 2.805 ( 1.223 2.071 7.979) 8.334 2.878 ( -1.247 0.410 1.867) 2.282 3.276 ( -6.928 -2.323 7.764) 10.661 3.568 ( -7.069 11.711 2.031) 13.829 3.841 ( -2.096 2.954 -1.193) 3.813 3.945 ( 1.792 -5.722 -1.712) 6.236 4.003 ( -2.761 -5.355 11.341) 12.842 5.142 ( 4.117 11.328 -8.740) 14.888 5.527 ( 4.069 -3.700 2.560) 6.066 5.992 ( 5.394 -1.451 5.646) 7.942 6.436 ( -3.990 4.498 -6.333) 8.733 6.660 ( -4.349 -3.603 3.088) 6.437 6.829 ( -0.599 -1.258 -2.352) 2.734 7.016 ( -2.702 -2.420 2.099) 4.191 7.204 ( -4.691 -2.523 4.177) 6.769 7.426 ( -3.312 -7.211 -0.455) 7.948 7.661 ( -2.481 -7.006 7.973) 10.900 8.167 ( 8.804 0.593 -6.418) 10.911 8.786 ( -0.599 3.280 2.328) 4.066 9.780 ( -9.478 -5.206 -8.374) 13.678 10.338 ( -0.809 0.851 15.407) 15.451 11.467 ( -0.620 -0.351 -17.108) 17.123 12.194 ( -0.866 -13.223 56.037) 57.583 12.394 ( -0.470 -2.554 4.938) 5.580 12.617 ( -10.302 -12.583 54.298) 56.681 13.444 ( -10.073 -4.245 8.180) 13.652 15.267 ( -1.339 0.837 -2.080) 2.612 17.779 ( -16.660 -3.234 -12.744) 21.224 18.507 ( 8.312 -0.675 -2.304) 8.652 19.260 ( -3.515 5.705 -3.719) 7.663 20.296 ( 6.470 1.393 -2.907) 7.228 23.989 ( 7.288 3.898 -4.132) 9.241 24.711 ( 20.468 9.151 -9.626) 24.399 ======================= Grid point 132 (56/251) ======================= q-point: (-0.30 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -27.102 13.714 10.996) 32.303 1.918 ( -4.370 25.360 20.313) 32.785 2.506 ( -0.888 12.296 11.305) 16.727 2.686 ( -9.450 13.873 9.249) 19.165 2.866 ( 1.033 2.900 6.007) 6.750 3.217 ( -9.698 12.898 4.850) 16.850 3.325 ( 0.032 -10.121 8.519) 13.229 3.884 ( 4.489 -2.700 -3.407) 6.249 4.027 ( -2.572 -5.662 9.084) 11.008 4.065 ( 4.609 -3.570 -10.498) 12.008 5.076 ( 3.054 12.084 -7.443) 14.517 5.631 ( 2.298 -3.922 4.796) 6.608 6.083 ( 2.071 -0.945 3.622) 4.278 6.334 ( -2.298 1.550 -9.238) 9.645 6.635 ( -3.899 -4.414 7.076) 9.206 6.821 ( -0.606 -1.172 2.243) 2.603 7.002 ( -1.614 -0.638 0.470) 1.798 7.157 ( -3.652 -2.294 1.032) 4.435 7.447 ( -1.240 -6.048 -2.873) 6.809 7.713 ( -1.031 -7.580 6.334) 9.932 8.255 ( 3.773 1.246 -6.021) 7.214 8.768 ( 0.560 1.889 0.791) 2.123 9.669 ( -6.520 -6.334 -7.118) 11.546 10.347 ( -0.431 2.358 16.662) 16.834 11.428 ( -0.058 -0.834 -15.733) 15.755 12.364 ( -3.743 -10.409 24.475) 26.859 12.415 ( 0.032 -1.338 5.425) 5.588 12.732 ( -17.691 -31.355 88.658) 95.689 13.410 ( -7.064 -13.583 23.917) 28.397 15.229 ( -1.397 0.513 -4.200) 4.456 17.540 ( -7.001 1.038 -7.622) 10.402 18.629 ( 5.152 -0.682 -1.699) 5.468 19.158 ( -1.903 4.662 -2.894) 5.808 20.379 ( 4.743 1.051 -1.921) 5.224 24.020 ( 3.093 6.248 -5.197) 8.696 24.959 ( 19.186 8.304 -18.242) 27.746 ======================= Grid point 133 (57/251) ======================= q-point: (-0.20 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -4.221 21.672 13.224) 25.737 1.684 ( -1.896 26.508 26.065) 37.224 2.297 ( -7.370 36.377 33.121) 49.746 2.431 ( 1.901 15.919 0.378) 16.037 2.900 ( 2.495 -2.027 10.302) 10.792 3.079 ( 0.918 2.481 -2.954) 3.966 3.475 ( -0.369 -15.579 9.659) 18.334 3.961 ( 0.200 -3.608 -0.779) 3.697 4.034 ( 4.134 7.161 -8.713) 12.012 4.118 ( -2.632 -7.662 -4.206) 9.129 5.016 ( 3.746 10.305 -3.539) 11.522 5.689 ( -0.889 -4.573 4.904) 6.764 6.082 ( -3.557 -0.435 1.695) 3.964 6.283 ( -0.609 1.670 -6.726) 6.957 6.638 ( -3.894 -7.560 9.312) 12.611 6.862 ( 3.380 -0.830 5.320) 6.357 6.974 ( -1.002 0.982 -0.694) 1.565 7.132 ( -1.656 -2.308 -0.885) 2.976 7.459 ( -1.540 -2.855 -4.285) 5.375 7.763 ( -1.319 -2.891 2.898) 4.300 8.286 ( 3.912 0.541 -3.446) 5.241 8.756 ( -0.816 0.445 -2.524) 2.690 9.663 ( 0.620 -6.813 -5.721) 8.918 10.356 ( -0.125 2.584 18.444) 18.624 11.418 ( 1.943 -1.030 -15.628) 15.781 12.379 ( -8.409 -9.728 16.385) 20.828 12.448 ( 0.648 -0.224 7.647) 7.678 12.884 ( -25.171 -38.172 82.738) 94.532 13.479 ( -18.567 -26.103 43.105) 53.704 15.193 ( -1.105 0.271 -5.622) 5.736 17.632 ( 18.887 -7.462 11.108) 23.147 18.684 ( 0.707 -0.911 -1.038) 1.551 19.097 ( 0.207 4.092 -2.626) 4.867 20.426 ( 1.405 0.003 -0.855) 1.645 23.974 ( -0.041 6.128 -5.908) 8.512 25.030 ( 0.781 11.912 -31.226) 33.430 ======================= Grid point 134 (58/251) ======================= q-point: (-0.10 0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 31.229 13.764 9.719) 35.484 1.504 ( 11.009 29.150 16.505) 35.261 1.943 ( -6.145 30.022 48.835) 57.653 2.396 ( 11.967 17.774 0.367) 21.430 2.998 ( 2.798 -2.497 1.431) 4.014 3.168 ( 8.964 -2.856 3.408) 10.006 3.608 ( -2.368 -13.713 6.965) 15.562 3.910 ( -6.547 -0.007 -4.236) 7.798 3.995 ( 2.486 8.918 -16.349) 18.788 4.130 ( -1.940 -5.180 8.266) 9.946 4.989 ( 0.966 6.922 -1.470) 7.142 5.737 ( 0.063 -6.679 4.884) 8.275 5.989 ( -8.135 -1.959 0.653) 8.393 6.242 ( 1.968 6.597 -1.458) 7.037 6.690 ( -0.958 -9.117 8.122) 12.247 6.941 ( 1.188 -0.334 1.183) 1.710 6.980 ( 4.893 0.456 3.744) 6.178 7.127 ( -1.040 -1.629 -2.623) 3.258 7.422 ( -2.083 2.150 -2.205) 3.718 7.732 ( -1.475 2.924 3.608) 4.872 8.394 ( 7.612 -2.343 -8.060) 11.331 8.732 ( -2.267 -4.285 -3.666) 6.078 9.772 ( 5.909 -5.849 -5.338) 9.880 10.378 ( 0.363 2.456 19.392) 19.551 11.444 ( 3.996 -0.869 -17.433) 17.906 12.331 ( -16.263 -13.888 30.792) 37.490 12.474 ( -0.126 -0.391 10.400) 10.408 12.803 ( -43.978 -29.268 85.593) 100.582 13.421 ( -5.069 -5.293 12.749) 14.706 15.161 ( -0.801 0.135 -6.390) 6.441 18.376 ( 28.230 -40.283 20.045) 53.117 18.669 ( -3.491 -2.515 1.257) 4.482 19.093 ( 4.282 0.928 -0.763) 4.447 20.421 ( -2.801 -1.772 0.062) 3.315 23.897 ( -1.388 4.560 -6.662) 8.191 24.502 ( -26.538 37.058 -29.276) 54.173 ======================= Grid point 138 (59/251) ======================= q-point: ( 0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 6.078 0.000 20.186) 21.081 2.457 ( 5.800 0.000 4.180) 7.150 2.662 ( -8.724 -0.000 -7.962) 11.811 3.101 ( -0.797 -0.000 -5.010) 5.073 3.208 ( 9.324 0.000 -6.181) 11.187 3.431 ( -5.524 -0.000 -1.195) 5.652 3.476 ( -6.538 -0.000 7.727) 10.122 3.603 ( -12.054 -0.000 16.609) 20.522 3.917 ( 7.858 0.000 3.636) 8.658 4.340 ( -6.837 -0.000 1.521) 7.004 5.066 ( 11.990 0.000 2.387) 12.226 5.648 ( -3.039 -0.000 -2.890) 4.194 5.665 ( 5.383 0.000 -2.319) 5.861 6.730 ( -3.839 -0.000 -2.559) 4.614 6.731 ( -5.152 -0.000 9.644) 10.934 6.912 ( -7.337 -0.000 -1.202) 7.435 7.108 ( -3.777 -0.000 -3.888) 5.421 7.246 ( 2.156 0.000 10.378) 10.599 7.261 ( -2.304 -0.000 4.003) 4.619 7.584 ( -2.287 -0.000 4.910) 5.416 8.009 ( 3.464 0.000 -4.764) 5.890 8.956 ( -1.716 -0.000 -3.876) 4.239 10.047 ( -9.003 -0.000 -4.371) 10.008 10.242 ( 0.722 0.000 14.777) 14.795 11.536 ( 1.618 0.000 -19.613) 19.679 11.743 ( -2.687 -0.000 64.516) 64.572 12.314 ( 0.345 0.000 4.197) 4.211 12.588 ( -3.908 -0.000 19.689) 20.073 13.826 ( -12.395 -0.000 5.230) 13.453 15.289 ( 2.378 0.000 2.978) 3.811 18.231 ( 4.646 0.000 -3.270) 5.681 18.300 ( -14.632 -0.000 -8.249) 16.797 19.668 ( -8.988 -0.000 -7.392) 11.637 20.117 ( 5.570 0.000 -3.670) 6.671 23.587 ( 14.724 0.000 0.128) 14.725 24.324 ( 14.371 0.000 -4.606) 15.091 ======================= Grid point 139 (60/251) ======================= q-point: (-0.60 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -11.481 1.744 -2.798) 11.946 2.420 ( 0.265 -7.384 10.323) 12.694 2.684 ( 5.200 3.995 1.433) 6.712 2.972 ( -7.126 10.697 7.700) 14.983 3.172 ( -4.803 15.762 10.277) 19.420 3.393 ( -10.054 -8.832 6.249) 14.769 3.477 ( 6.928 -11.027 -7.719) 15.138 3.575 ( 1.914 -1.967 0.482) 2.787 3.996 ( 2.829 7.559 5.924) 10.012 4.190 ( -12.325 -6.994 6.851) 15.740 5.237 ( 8.495 1.778 -2.843) 9.133 5.560 ( -0.539 7.697 -2.610) 8.146 5.793 ( 5.286 -4.925 3.133) 7.874 6.640 ( -4.849 2.746 3.674) 6.675 6.667 ( -4.696 -0.817 3.881) 6.147 6.818 ( -2.636 -0.545 -1.811) 3.244 7.037 ( -5.208 -1.947 -0.821) 5.620 7.205 ( -2.480 0.323 0.789) 2.622 7.275 ( -4.805 -5.752 6.773) 10.102 7.564 ( -2.640 -2.174 5.632) 6.589 8.099 ( 9.276 3.195 -6.981) 12.041 8.905 ( -2.170 2.153 -0.926) 3.194 9.861 ( -11.603 -2.185 -5.153) 12.883 10.303 ( 1.922 -0.354 12.960) 13.107 11.511 ( 0.284 0.093 -18.450) 18.452 11.849 ( -3.739 -3.581 67.628) 67.826 12.337 ( 0.794 -0.630 4.012) 4.138 12.552 ( -5.795 -0.944 22.180) 22.944 13.596 ( -14.757 -0.689 5.183) 15.656 15.306 ( -0.436 0.416 0.880) 1.066 18.017 ( -15.985 -1.258 -9.626) 18.702 18.347 ( 8.659 -0.268 -3.002) 9.169 19.496 ( -7.196 2.986 -5.714) 9.661 20.215 ( 6.532 0.360 -3.265) 7.311 23.846 ( 14.340 -0.308 -1.712) 14.445 24.563 ( 15.407 1.952 -5.455) 16.460 ======================= Grid point 140 (61/251) ======================= q-point: (-0.50 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -13.305 4.465 0.893) 14.063 2.474 ( -6.439 -7.898 7.174) 12.462 2.615 ( -3.271 18.443 11.560) 22.011 2.846 ( -2.319 0.894 11.605) 11.868 3.008 ( -0.954 7.499 2.485) 7.958 3.280 ( -7.494 2.527 6.396) 10.171 3.587 ( -0.508 -9.410 -2.382) 9.720 3.687 ( 1.338 -6.974 -1.023) 7.174 3.948 ( -6.782 -0.923 9.751) 11.913 4.100 ( 3.443 10.473 3.895) 11.692 5.304 ( 4.270 5.678 -7.579) 10.388 5.523 ( 3.633 3.774 0.699) 5.285 5.935 ( 4.494 -4.804 5.053) 8.295 6.521 ( -5.616 4.116 -0.534) 6.983 6.606 ( -4.358 -1.450 3.972) 6.073 6.818 ( 1.228 -0.606 -1.797) 2.259 6.969 ( -3.913 -2.237 1.313) 4.695 7.166 ( -3.689 -1.503 2.687) 4.805 7.254 ( -5.947 -9.876 3.158) 11.953 7.559 ( -2.251 -3.807 5.363) 6.952 8.214 ( 9.091 3.567 -9.015) 13.290 8.849 ( -1.199 2.962 0.689) 3.269 9.680 ( -11.297 -4.984 -5.858) 13.667 10.361 ( 1.929 1.355 13.014) 13.226 11.466 ( -0.735 0.189 -16.659) 16.676 11.966 ( -7.663 -9.419 73.753) 74.746 12.365 ( 0.545 -1.038 3.753) 3.932 12.508 ( -6.435 -2.339 23.043) 24.038 13.384 ( -11.800 -2.305 5.164) 13.086 15.280 ( -1.706 0.535 -1.890) 2.602 17.747 ( -13.192 -0.759 -9.502) 16.276 18.498 ( 8.449 -0.366 -2.368) 8.782 19.347 ( -5.154 3.624 -4.208) 7.576 20.315 ( 6.092 0.679 -2.709) 6.701 24.052 ( 10.674 2.744 -3.825) 11.666 24.796 ( 14.904 1.587 -7.448) 16.737 ======================= Grid point 141 (62/251) ======================= q-point: (-0.40 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -16.636 14.438 9.259) 23.895 2.352 ( -4.110 18.978 11.595) 22.617 2.456 ( -5.994 -4.765 16.030) 17.765 2.862 ( 0.890 -0.099 5.734) 5.804 3.015 ( 5.354 7.327 1.112) 9.143 3.153 ( -5.475 0.094 10.346) 11.706 3.594 ( -4.934 16.891 3.481) 17.938 3.698 ( -4.493 -14.465 9.069) 17.654 3.867 ( -2.302 -5.601 1.006) 6.139 4.143 ( 7.907 7.301 -3.916) 11.452 5.271 ( 2.343 8.887 -7.901) 12.120 5.598 ( 4.723 0.240 4.345) 6.422 6.039 ( 1.182 -4.142 3.460) 5.525 6.387 ( -4.045 3.811 -5.958) 8.148 6.560 ( -4.445 -3.005 4.539) 7.028 6.828 ( 0.744 0.957 0.962) 1.547 6.967 ( -0.541 -3.352 0.427) 3.422 7.120 ( -3.515 -1.340 2.738) 4.652 7.277 ( -3.107 -11.894 1.105) 12.343 7.583 ( -1.167 -5.353 5.666) 7.881 8.295 ( 5.647 3.040 -8.983) 11.037 8.819 ( 0.659 2.841 -0.125) 2.919 9.550 ( -7.569 -6.312 -5.934) 11.504 10.399 ( 1.339 3.016 14.231) 14.609 11.419 ( -0.328 -0.077 -14.455) 14.459 12.054 ( -15.669 -16.212 79.675) 82.803 12.397 ( 1.305 -1.266 4.776) 5.111 12.480 ( -5.453 -3.861 22.122) 23.109 13.269 ( -6.613 -4.882 6.056) 10.210 15.238 ( -1.698 0.431 -4.126) 4.482 17.561 ( -5.193 1.040 -6.036) 8.030 18.618 ( 5.102 -0.521 -1.973) 5.495 19.237 ( -2.641 3.797 -3.300) 5.682 20.393 ( 4.012 0.568 -2.143) 4.584 24.136 ( 4.910 6.139 -5.418) 9.547 25.007 ( 11.355 -1.011 -11.536) 16.219 ======================= Grid point 142 (63/251) ======================= q-point: (-0.30 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -1.544 21.905 12.718) 25.376 2.141 ( -1.450 24.584 25.158) 35.205 2.521 ( 2.857 -5.568 8.273) 10.373 2.826 ( -0.546 12.898 8.049) 15.214 3.000 ( 3.874 12.029 3.298) 13.060 3.177 ( -3.619 -5.688 15.274) 16.696 3.304 ( -2.392 16.512 3.795) 17.111 3.806 ( -1.848 -14.327 6.059) 15.665 3.918 ( -1.222 -7.982 1.458) 8.206 4.173 ( 3.582 5.102 -11.232) 12.846 5.207 ( 2.035 9.761 -5.790) 11.530 5.653 ( 0.313 0.507 5.734) 5.765 6.053 ( -4.227 -3.007 1.026) 5.288 6.318 ( 1.335 2.269 -5.902) 6.462 6.530 ( -3.541 -4.246 3.406) 6.494 6.862 ( 3.303 0.195 4.793) 5.824 6.977 ( -1.084 -1.588 -0.260) 1.940 7.084 ( -2.472 -2.061 -0.596) 3.273 7.359 ( 0.554 -8.977 -1.172) 9.070 7.641 ( -0.343 -7.249 6.576) 9.793 8.317 ( 2.701 3.033 -6.754) 7.881 8.800 ( -0.328 3.075 -3.295) 4.519 9.534 ( 0.770 -7.005 -5.622) 9.015 10.417 ( 0.706 3.835 16.261) 16.722 11.402 ( 1.495 -0.605 -12.988) 13.088 12.053 ( -22.863 -19.710 78.349) 83.963 12.445 ( 0.932 -0.131 7.382) 7.442 12.496 ( -4.528 -7.785 25.040) 26.610 13.261 ( -2.525 -6.667 6.978) 9.976 15.198 ( -1.256 0.283 -5.664) 5.808 17.570 ( 8.391 -1.086 1.903) 8.673 18.669 ( 0.500 -0.794 -1.700) 1.942 19.174 ( 0.251 4.100 -2.956) 5.060 20.427 ( 0.626 0.128 -1.668) 1.787 24.098 ( -0.244 7.243 -6.229) 9.556 25.103 ( 0.013 -1.188 -17.394) 17.435 ======================= Grid point 143 (64/251) ======================= q-point: (-0.20 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( 24.500 17.081 10.899) 31.792 1.980 ( 4.068 24.675 24.500) 35.009 2.506 ( -3.171 22.434 15.631) 27.526 2.745 ( 7.993 17.762 4.495) 19.989 2.976 ( 4.450 3.578 13.876) 15.005 3.153 ( 3.752 1.643 -0.145) 4.098 3.356 ( 0.537 -10.662 9.628) 14.376 3.870 ( -4.219 -4.590 1.871) 6.509 3.959 ( -3.299 -10.673 2.790) 11.515 4.130 ( -0.048 4.009 -11.638) 12.310 5.142 ( 0.981 8.979 -3.913) 9.844 5.654 ( -0.918 -2.165 5.303) 5.801 5.957 ( -8.357 -1.713 -1.411) 8.647 6.340 ( 3.807 4.065 -0.903) 5.642 6.554 ( 1.110 -5.775 2.190) 6.275 6.940 ( 2.744 0.073 3.357) 4.336 6.975 ( 0.987 -1.794 0.151) 2.053 7.075 ( -0.889 -3.238 -2.344) 4.095 7.427 ( 1.819 -1.733 -0.735) 2.618 7.711 ( -0.902 -5.635 6.362) 8.547 8.345 ( 4.141 -0.829 -5.158) 6.666 8.722 ( -4.489 2.321 -4.555) 6.804 9.666 ( 7.994 -5.865 -7.112) 12.201 10.432 ( 0.754 3.475 18.285) 18.627 11.424 ( 3.287 -1.151 -13.134) 13.587 11.976 ( -25.737 -18.801 78.747) 84.953 12.466 ( -0.990 -0.594 12.161) 12.215 12.534 ( -5.663 -6.421 20.837) 22.528 13.328 ( 2.959 -5.011 5.627) 8.095 15.164 ( -0.884 0.179 -6.567) 6.629 17.910 ( 20.713 -14.239 9.941) 27.030 18.644 ( -3.866 -1.154 -1.170) 4.201 19.155 ( 2.673 4.471 -2.988) 6.005 20.404 ( -3.069 -0.487 -1.459) 3.433 23.991 ( -3.031 5.775 -6.475) 9.190 24.884 ( -17.240 9.309 -20.197) 28.139 ======================= Grid point 144 (65/251) ======================= q-point: (-0.10 0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 9.043 19.295 13.892) 25.437 2.102 ( 20.239 16.022 23.327) 34.792 2.293 ( 10.042 22.988 18.377) 31.096 2.757 ( 9.089 11.228 -0.203) 14.447 3.077 ( 6.592 4.618 -0.655) 8.075 3.281 ( 6.582 -3.542 4.572) 8.762 3.490 ( 1.545 -10.693 10.914) 15.358 3.758 ( -8.196 0.360 -3.505) 8.921 3.960 ( -4.551 -2.022 -5.512) 7.429 4.126 ( 2.614 -3.294 5.009) 6.540 5.026 ( -4.636 9.489 -2.228) 10.794 5.690 ( -1.542 -4.482 1.990) 5.141 5.832 ( -6.261 -2.600 0.260) 6.784 6.374 ( 6.288 4.577 -1.955) 8.019 6.666 ( 3.757 -5.259 5.733) 8.639 6.951 ( 0.194 -0.999 -4.867) 4.972 7.036 ( 0.058 -3.774 0.471) 3.804 7.120 ( 4.748 -0.731 1.777) 5.122 7.453 ( 2.186 4.054 2.512) 5.246 7.730 ( -1.337 -0.495 6.067) 6.232 8.415 ( -1.158 -3.115 -6.378) 7.192 8.638 ( -1.649 -5.081 -4.193) 6.791 9.840 ( 8.005 -3.660 -7.193) 11.367 10.461 ( 1.199 3.273 18.359) 18.687 11.470 ( 3.846 -1.369 -14.704) 15.260 11.852 ( -24.374 -12.044 80.371) 84.844 12.459 ( -5.402 -1.053 15.833) 16.762 12.520 ( -1.384 -0.648 8.921) 9.051 13.492 ( 10.146 -2.995 6.030) 12.177 15.136 ( -0.543 0.038 -6.648) 6.670 18.489 ( 17.568 -25.995 7.576) 32.277 18.557 ( -7.108 -1.536 -0.197) 7.274 19.181 ( 5.004 0.689 -1.805) 5.364 20.330 ( -5.508 -1.047 -1.814) 5.893 23.880 ( -3.178 3.229 -6.644) 8.042 24.305 ( -22.306 26.355 -14.234) 37.346 ======================= Grid point 149 (66/251) ======================= q-point: (-0.60 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.089 ( -9.616 -0.000 -1.306) 9.705 2.394 ( -5.394 -0.000 9.411) 10.848 2.787 ( 4.454 0.000 0.982) 4.561 2.896 ( -11.144 -0.000 28.528) 30.628 3.087 ( -9.939 -0.000 0.413) 9.948 3.249 ( -4.435 -0.000 2.525) 5.104 3.553 ( 5.915 0.000 -6.206) 8.573 3.566 ( -0.910 -0.000 1.335) 1.616 3.940 ( -8.552 -0.000 10.398) 13.463 4.203 ( 9.462 0.000 3.519) 10.095 5.349 ( 4.819 0.000 -6.686) 8.242 5.597 ( 1.282 0.000 -1.276) 1.809 5.864 ( 4.420 0.000 4.992) 6.668 6.554 ( -6.912 -0.000 6.870) 9.745 6.610 ( -3.562 -0.000 0.678) 3.626 6.807 ( 1.946 0.000 -0.001) 1.946 6.948 ( -3.816 -0.000 -2.666) 4.655 7.146 ( -7.227 -0.000 5.271) 8.945 7.154 ( -3.529 -0.000 2.734) 4.463 7.525 ( -1.875 -0.000 4.180) 4.581 8.254 ( 8.581 0.000 -9.996) 13.174 8.878 ( -1.616 -0.000 -0.364) 1.656 9.629 ( -11.704 -0.000 -4.714) 12.618 10.375 ( 2.823 0.000 12.361) 12.679 11.469 ( -0.572 -0.000 -17.275) 17.284 11.879 ( -8.920 -0.000 74.732) 75.262 12.355 ( 0.574 0.000 3.557) 3.603 12.490 ( -5.531 -0.000 18.382) 19.196 13.363 ( -12.319 -0.000 4.631) 13.160 15.285 ( -1.851 -0.000 -1.816) 2.593 17.741 ( -12.220 -0.000 -8.609) 14.948 18.494 ( 8.476 0.000 -2.398) 8.809 19.382 ( -5.835 -0.000 -4.416) 7.317 20.321 ( 5.955 0.000 -2.660) 6.522 24.078 ( 12.279 0.000 -3.740) 12.836 24.805 ( 12.770 0.000 -6.676) 14.409 ======================= Grid point 151 (67/251) ======================= q-point: (-0.50 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -5.990 8.931 5.540) 12.097 2.277 ( -9.847 -6.597 12.749) 17.408 2.757 ( -2.405 15.495 17.636) 23.599 2.839 ( -1.410 -0.202 7.371) 7.507 2.964 ( -2.860 -2.731 8.575) 9.442 3.239 ( -2.456 -6.031 3.498) 7.392 3.500 ( -1.286 3.047 1.277) 3.545 3.665 ( 1.767 -7.793 -1.384) 8.109 3.864 ( -3.787 2.512 6.904) 8.266 4.322 ( 6.965 8.574 1.493) 11.147 5.380 ( 2.179 2.803 -8.371) 9.093 5.632 ( 4.686 2.582 3.278) 6.274 5.946 ( 0.805 -4.542 3.388) 5.723 6.448 ( -5.238 2.038 1.597) 5.843 6.535 ( -4.401 -0.041 -0.882) 4.488 6.846 ( 1.017 0.975 0.206) 1.424 6.902 ( -1.410 -2.770 -1.682) 3.534 7.080 ( -4.358 -6.694 5.279) 9.574 7.112 ( -2.531 -0.528 4.807) 5.458 7.524 ( 0.086 -1.434 4.166) 4.407 8.345 ( 5.617 1.809 -10.818) 12.323 8.855 ( -0.070 1.010 -1.465) 1.781 9.462 ( -7.393 -2.823 -5.009) 9.366 10.442 ( 2.214 1.379 13.404) 13.656 11.423 ( -0.113 0.305 -15.498) 15.502 11.861 ( -15.595 -5.196 81.878) 83.511 12.373 ( 0.307 -0.950 3.491) 3.631 12.452 ( -2.886 -0.368 12.985) 13.308 13.210 ( -6.957 -1.657 3.769) 8.084 15.244 ( -1.892 0.167 -4.076) 4.497 17.574 ( -4.636 0.414 -5.527) 7.226 18.611 ( 5.060 -0.195 -2.120) 5.490 19.287 ( -3.113 1.465 -3.575) 4.961 20.400 ( 3.686 0.184 -2.289) 4.343 24.223 ( 6.522 2.843 -5.834) 9.201 24.974 ( 7.697 -1.571 -8.522) 11.591 ======================= Grid point 152 (68/251) ======================= q-point: (-0.40 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.764 19.618 12.259) 23.146 2.347 ( 4.097 -11.521 13.185) 17.982 2.579 ( -1.166 22.697 20.778) 30.793 2.854 ( -1.089 -3.293 4.993) 6.079 3.008 ( -1.894 -7.120 12.067) 14.138 3.234 ( 1.886 7.737 1.520) 8.107 3.523 ( -1.401 -11.984 3.525) 12.570 3.720 ( -2.029 15.844 7.389) 17.600 3.776 ( -0.049 -7.899 0.535) 7.917 4.300 ( 1.020 9.899 -2.103) 10.171 5.348 ( 0.942 5.418 -7.750) 9.503 5.695 ( 2.288 3.384 7.604) 8.632 5.972 ( -3.634 -5.399 0.498) 6.528 6.365 ( -0.120 2.742 -4.023) 4.870 6.477 ( -2.915 -1.896 -1.061) 3.635 6.854 ( 1.078 -1.350 2.364) 2.928 6.908 ( -2.192 -4.684 -2.268) 5.647 7.075 ( -2.025 0.353 2.326) 3.104 7.160 ( 1.771 -9.961 5.282) 11.413 7.567 ( 1.629 -1.490 6.154) 6.538 8.375 ( 3.050 2.761 -9.292) 10.162 8.844 ( 0.092 1.651 -3.881) 4.218 9.422 ( 0.671 -4.892 -5.351) 7.281 10.483 ( 1.153 2.933 15.231) 15.554 11.400 ( 1.531 0.403 -12.934) 13.031 11.796 ( -19.367 -8.837 81.876) 84.598 12.403 ( -0.245 -3.040 6.052) 6.777 12.449 ( -0.521 0.068 9.858) 9.872 13.171 ( -1.125 -3.334 3.512) 4.971 15.203 ( -1.387 0.178 -5.690) 5.859 17.564 ( 4.989 0.059 -0.900) 5.070 18.657 ( 0.347 -0.476 -2.069) 2.151 19.237 ( 0.324 2.553 -3.258) 4.152 20.429 ( 0.284 0.081 -2.166) 2.186 24.221 ( -0.418 5.652 -6.981) 8.992 25.048 ( -0.244 -3.643 -11.268) 11.845 ======================= Grid point 153 (69/251) ======================= q-point: (-0.30 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 17.466 18.534 11.881) 28.102 2.411 ( 1.081 20.905 20.407) 29.234 2.612 ( 9.913 -3.353 13.052) 16.729 2.873 ( 1.636 -1.843 1.585) 2.930 3.060 ( -3.776 -8.277 11.651) 14.782 3.179 ( 1.263 12.280 11.065) 16.578 3.515 ( 1.400 19.253 0.613) 19.313 3.661 ( -0.434 -14.859 7.199) 16.517 3.859 ( 1.297 -2.381 1.702) 3.201 4.190 ( -4.547 4.634 -4.169) 7.715 5.287 ( -0.106 6.472 -6.377) 9.087 5.664 ( -2.729 3.129 7.069) 8.198 5.917 ( -6.814 -2.971 -2.698) 7.908 6.387 ( 3.179 1.075 -0.868) 3.466 6.481 ( 3.061 -2.232 -1.713) 4.158 6.893 ( -2.709 -6.166 -1.724) 6.952 6.932 ( 2.965 -1.559 2.994) 4.493 7.048 ( -0.339 -0.051 -0.936) 0.997 7.318 ( 4.070 -9.916 3.367) 11.236 7.624 ( 1.444 -1.599 7.798) 8.091 8.375 ( 2.587 3.024 -7.238) 8.260 8.781 ( -3.860 3.699 -4.914) 7.261 9.554 ( 9.334 -6.350 -6.797) 13.177 10.499 ( 0.344 3.624 17.462) 17.837 11.412 ( 2.549 -0.031 -8.937) 9.294 11.723 ( -18.013 -9.525 75.185) 77.897 12.429 ( -2.473 -3.429 10.572) 11.386 12.475 ( 0.740 -0.608 7.695) 7.754 13.246 ( 5.076 -3.809 4.089) 7.550 15.168 ( -0.944 0.155 -6.740) 6.807 17.754 ( 14.141 -4.647 3.627) 15.321 18.625 ( -4.047 -0.878 -1.856) 4.538 19.234 ( 3.275 3.828 -3.504) 6.136 20.398 ( -3.295 -0.187 -2.366) 4.060 24.098 ( -5.282 5.621 -7.083) 10.472 24.948 ( -10.987 -0.295 -13.489) 17.400 ======================= Grid point 154 (70/251) ======================= q-point: (-0.20 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 15.017 16.278 11.143) 24.792 2.377 ( 13.458 15.226 13.300) 24.286 2.651 ( -3.023 9.315 13.244) 16.471 2.892 ( 0.046 7.411 1.107) 7.494 3.110 ( -4.632 -4.053 15.187) 16.387 3.264 ( 17.545 -0.732 13.955) 22.429 3.450 ( 5.253 9.452 -3.035) 11.231 3.785 ( -0.527 -5.298 2.691) 5.966 3.836 ( -2.896 0.045 -0.931) 3.042 4.093 ( -2.763 -1.748 1.394) 3.555 5.183 ( -3.825 7.344 -4.890) 9.616 5.632 ( -1.319 -1.305 5.956) 6.239 5.800 ( -6.734 -1.120 -4.789) 8.339 6.418 ( 2.582 -0.022 -2.909) 3.890 6.611 ( 7.945 -0.864 4.398) 9.122 6.890 ( -2.828 -5.854 -5.315) 8.397 6.986 ( 1.343 -0.877 0.338) 1.639 7.097 ( 4.707 -1.824 2.144) 5.484 7.467 ( 4.134 -4.539 2.839) 6.764 7.678 ( 0.384 -2.619 8.682) 9.076 8.387 ( 1.390 0.832 -5.393) 5.631 8.635 ( -6.346 3.871 -3.862) 8.376 9.774 ( 10.883 -4.224 -9.144) 14.829 10.515 ( 0.575 2.839 19.101) 19.319 11.444 ( 2.156 -1.036 -3.749) 4.448 11.680 ( -13.497 -7.211 65.205) 66.976 12.426 ( -3.788 -2.466 10.932) 11.829 12.507 ( 0.230 -0.612 8.343) 8.369 13.432 ( 11.186 -3.285 5.829) 13.034 15.137 ( -0.650 0.086 -7.063) 7.093 18.134 ( 18.015 -13.145 5.230) 22.906 18.533 ( -7.068 -1.286 -1.415) 7.322 19.253 ( 4.200 5.205 -4.331) 7.968 20.316 ( -5.643 -0.618 -2.963) 6.404 23.935 ( -6.596 2.850 -6.579) 9.743 24.616 ( -18.170 9.530 -12.671) 24.114 ======================= Grid point 155 (71/251) ======================= q-point: (-0.10 0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 7.144 19.186 7.043) 21.650 2.468 ( -1.234 16.834 27.710) 32.446 2.691 ( 16.991 0.573 3.241) 17.307 2.869 ( 2.845 1.355 1.046) 3.320 3.077 ( -5.432 -4.271 10.167) 12.293 3.423 ( -2.641 4.311 -3.663) 6.243 3.535 ( 4.285 -0.090 5.284) 6.804 3.732 ( -0.681 7.929 -2.956) 8.490 3.911 ( 12.647 -5.264 1.728) 13.807 4.171 ( 6.111 -4.289 8.800) 11.540 4.991 ( -8.706 9.129 -2.125) 12.792 5.610 ( -3.826 -0.618 -3.938) 5.525 5.740 ( -1.768 -3.609 1.546) 4.306 6.492 ( 5.849 -2.342 -3.912) 7.416 6.745 ( 5.578 1.322 7.727) 9.621 6.880 ( -2.133 -4.563 -7.275) 8.849 7.035 ( 3.228 -2.331 -0.443) 4.006 7.211 ( 4.974 -1.604 3.680) 6.392 7.545 ( 2.673 2.227 3.596) 5.004 7.715 ( -0.535 -1.259 8.799) 8.905 8.264 ( -13.275 2.344 -0.398) 13.486 8.607 ( 4.143 -4.638 -5.825) 8.521 9.933 ( 6.745 -0.974 -8.067) 10.561 10.546 ( 0.636 2.631 17.867) 18.070 11.486 ( 2.203 -1.474 -3.885) 4.704 11.666 ( -9.213 -3.121 59.285) 60.078 12.393 ( -3.865 -0.640 8.561) 9.415 12.538 ( 0.539 -0.378 10.842) 10.862 13.693 ( 13.073 -2.448 7.630) 15.333 15.117 ( 0.136 -0.184 -6.009) 6.013 18.405 ( -8.205 -1.571 -0.599) 8.376 18.572 ( 13.222 -16.214 1.849) 21.003 19.261 ( 2.908 3.125 -5.080) 6.635 20.216 ( -5.447 -1.129 -3.958) 6.827 23.812 ( -4.620 -0.443 -6.082) 7.651 24.161 ( -14.689 17.548 -8.467) 24.401 ======================= Grid point 161 (72/251) ======================= q-point: ( 0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( 4.860 -0.000 8.823) 10.073 2.154 ( 0.424 0.000 17.987) 17.992 2.790 ( -3.097 0.000 14.495) 14.822 2.902 ( 0.738 0.000 0.998) 1.241 2.951 ( 0.161 -0.000 24.474) 24.474 3.141 ( -2.118 -0.000 2.674) 3.411 3.521 ( -1.726 0.000 -1.529) 2.306 3.654 ( 4.279 0.000 1.253) 4.459 3.851 ( -2.556 0.000 5.069) 5.676 4.432 ( 0.006 -0.000 0.604) 0.604 5.397 ( 0.562 0.000 -8.542) 8.561 5.735 ( 3.751 0.000 8.466) 9.260 5.908 ( -3.171 0.000 0.477) 3.207 6.399 ( -2.156 0.000 1.130) 2.434 6.456 ( -2.202 0.000 -6.611) 6.968 6.829 ( -3.330 0.000 -0.125) 3.332 6.857 ( -0.524 0.000 -2.595) 2.647 7.064 ( 3.453 0.000 7.687) 8.427 7.083 ( -2.047 0.000 3.687) 4.217 7.558 ( 2.778 0.000 6.765) 7.313 8.402 ( 3.094 0.000 -10.508) 10.954 8.859 ( 0.601 0.000 -4.125) 4.168 9.374 ( 0.328 0.000 -5.210) 5.221 10.511 ( 1.305 0.000 15.112) 15.168 11.407 ( 2.004 0.000 -15.467) 15.596 11.717 ( -18.330 0.000 83.310) 85.303 12.375 ( -0.208 0.000 3.182) 3.188 12.451 ( -0.352 0.000 9.648) 9.654 13.140 ( -0.860 0.000 2.904) 3.028 15.204 ( -1.438 0.000 -5.700) 5.878 17.566 ( 4.135 0.000 -1.592) 4.431 18.652 ( 0.288 0.000 -2.193) 2.212 19.261 ( 0.353 0.000 -3.382) 3.400 20.430 ( 0.179 0.000 -2.330) 2.336 24.278 ( -0.498 0.000 -7.482) 7.498 25.008 ( -0.295 0.000 -9.344) 9.349 ======================= Grid point 163 (73/251) ======================= q-point: (-0.40 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 12.618 15.792 12.294) 23.659 2.413 ( 11.953 -11.013 16.637) 23.259 2.749 ( -4.365 2.912 14.745) 15.651 2.872 ( 1.081 4.717 2.577) 5.483 2.973 ( 2.401 6.408 14.922) 16.416 3.259 ( 3.583 -12.543 8.983) 15.838 3.464 ( -1.582 1.454 -1.777) 2.788 3.733 ( -1.549 4.209 3.867) 5.922 3.818 ( 2.653 -2.472 5.046) 6.213 4.331 ( -6.758 7.572 0.384) 10.156 5.365 ( -1.095 2.072 -7.742) 8.089 5.748 ( -2.626 4.885 8.226) 9.921 5.852 ( -4.725 -3.699 -1.817) 6.270 6.383 ( -0.052 -0.815 -1.241) 1.486 6.469 ( 5.614 0.336 -3.841) 6.810 6.797 ( -2.351 -3.525 0.100) 4.239 6.874 ( 1.740 -3.417 -1.617) 4.162 7.055 ( -1.059 0.460 -0.543) 1.276 7.174 ( 4.550 -4.038 6.883) 9.186 7.627 ( 2.961 0.662 9.256) 9.741 8.420 ( 2.495 1.442 -9.224) 9.664 8.841 ( -1.201 2.226 -5.344) 5.912 9.456 ( 8.527 -3.518 -5.668) 10.826 10.551 ( 0.075 1.649 17.307) 17.385 11.421 ( 3.431 0.739 -13.588) 14.034 11.608 ( -15.879 -3.374 78.007) 79.678 12.380 ( -1.036 -1.552 4.048) 4.457 12.472 ( 0.324 -0.024 9.078) 9.084 13.197 ( 5.884 -1.413 3.701) 7.093 15.170 ( -0.973 0.061 -6.844) 6.913 17.706 ( 11.446 -1.077 1.260) 11.565 18.614 ( -4.177 -0.331 -2.200) 4.733 19.284 ( 3.820 1.488 -3.752) 5.557 20.396 ( -3.408 -0.054 -2.812) 4.419 24.178 ( -7.176 2.570 -7.805) 10.910 24.924 ( -7.844 -1.272 -10.275) 12.989 ======================= Grid point 164 (74/251) ======================= q-point: (-0.30 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 16.355 14.064 10.023) 23.785 2.611 ( 4.427 7.890 10.289) 13.701 2.680 ( -5.715 -0.940 12.805) 14.054 2.898 ( -3.194 -6.034 7.649) 10.253 3.107 ( 16.301 1.168 8.157) 18.265 3.319 ( 0.410 9.114 10.071) 13.588 3.560 ( 1.826 -12.151 8.309) 14.833 3.631 ( 2.010 7.201 -2.319) 7.828 3.925 ( 2.731 -1.884 4.778) 5.817 4.117 ( -7.948 7.467 2.060) 11.098 5.282 ( -4.188 3.470 -6.318) 8.337 5.659 ( -2.556 4.096 5.919) 7.639 5.780 ( -5.367 -1.351 -4.781) 7.313 6.393 ( 0.477 -1.898 -3.096) 3.662 6.611 ( 9.756 0.329 3.311) 10.308 6.793 ( -1.507 -3.520 -2.329) 4.481 6.957 ( 2.094 -4.129 -0.120) 4.632 7.059 ( 2.598 -1.468 -1.699) 3.433 7.318 ( 4.105 -7.905 4.971) 10.201 7.681 ( 2.127 1.494 9.912) 10.247 8.425 ( 1.822 2.320 -7.707) 8.252 8.739 ( -4.614 6.317 -4.103) 8.833 9.679 ( 12.527 -5.669 -7.131) 15.489 10.564 ( -0.733 2.337 19.529) 19.682 11.443 ( 1.590 0.942 0.427) 1.896 11.576 ( -9.281 -4.463 59.178) 60.068 12.380 ( -2.199 -2.207 5.415) 6.247 12.499 ( 0.380 -0.227 9.192) 9.203 13.382 ( 12.037 -2.066 5.774) 13.510 15.139 ( -0.706 0.073 -7.389) 7.423 17.978 ( 15.883 -4.859 2.589) 16.810 18.513 ( -7.197 -0.795 -1.963) 7.502 19.338 ( 5.699 3.665 -4.991) 8.416 20.307 ( -5.908 -0.302 -3.698) 6.976 23.979 ( -10.482 1.902 -7.011) 12.753 24.710 ( -13.755 2.072 -10.415) 17.377 ======================= Grid point 165 (75/251) ======================= q-point: (-0.20 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.321 ( 6.709 18.020 3.328) 19.515 2.575 ( -8.947 -1.564 14.219) 16.872 2.712 ( 10.601 2.322 5.054) 11.972 2.886 ( -2.130 -2.909 6.093) 7.079 3.182 ( 0.568 15.500 20.596) 25.783 3.408 ( 0.599 -3.789 -1.400) 4.084 3.638 ( 8.851 1.726 8.871) 12.650 3.662 ( -5.697 -4.336 -4.733) 8.582 3.949 ( 2.635 3.402 2.665) 5.062 4.105 ( 10.704 -2.251 6.484) 12.716 5.121 ( -8.639 5.117 -4.076) 10.837 5.623 ( -0.849 2.442 3.320) 4.208 5.699 ( -2.489 -0.949 -5.111) 5.764 6.429 ( 1.853 -3.843 -4.680) 6.333 6.776 ( 7.307 0.843 7.813) 10.731 6.802 ( 0.589 -2.635 -4.325) 5.099 7.004 ( 2.356 -1.385 -2.661) 3.814 7.162 ( 4.751 -3.780 1.891) 6.359 7.464 ( 2.208 -8.903 3.523) 9.826 7.720 ( 1.402 1.628 10.421) 10.640 8.353 ( -7.330 5.687 -2.632) 9.644 8.615 ( 0.750 5.092 -4.740) 6.997 9.904 ( 9.738 -2.761 -8.653) 13.316 10.578 ( -0.625 1.258 20.446) 20.494 11.470 ( 1.401 -0.003 5.681) 5.851 11.609 ( -4.953 -3.197 49.461) 49.812 12.370 ( -2.363 -1.659 6.184) 6.824 12.531 ( 0.635 -0.290 10.940) 10.962 13.650 ( 13.953 -2.093 7.598) 16.025 15.115 ( -0.117 -0.075 -6.703) 6.705 18.328 ( 14.647 -8.911 2.537) 17.331 18.385 ( -6.960 -1.695 -2.106) 7.466 19.370 ( 4.280 6.887 -7.245) 10.874 20.196 ( -5.988 -1.009 -4.767) 7.720 23.785 ( -9.431 -1.928 -5.808) 11.242 24.388 ( -14.664 7.881 -8.898) 18.876 ======================= Grid point 166 (76/251) ======================= q-point: (-0.10 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.223 ( 0.430 12.545 -2.454) 12.790 2.478 ( -6.904 -0.977 17.831) 19.146 2.786 ( -3.278 -2.618 5.027) 6.547 3.027 ( 11.402 -0.360 3.631) 11.972 3.102 ( 0.890 12.555 19.232) 22.985 3.339 ( -5.756 1.848 -1.510) 6.231 3.522 ( -5.224 1.458 -4.476) 7.032 3.710 ( -2.995 1.632 2.746) 4.379 4.144 ( 12.128 -10.723 7.876) 18.003 4.375 ( 14.422 0.482 2.904) 14.719 4.883 ( -11.224 6.400 -1.996) 13.073 5.565 ( -1.365 4.124 -4.396) 6.180 5.702 ( 0.310 -2.239 -0.175) 2.267 6.502 ( 1.635 -6.994 -5.422) 8.999 6.811 ( 0.263 -1.692 -4.119) 4.461 6.895 ( 5.897 3.291 6.128) 9.119 7.079 ( 4.078 -2.730 0.073) 4.908 7.267 ( 2.876 -2.589 2.453) 4.582 7.554 ( -0.320 -5.616 2.391) 6.112 7.744 ( 0.194 1.277 10.862) 10.939 8.084 ( -12.395 10.891 4.184) 17.022 8.650 ( 4.924 -0.948 -6.024) 7.838 10.013 ( 4.264 0.971 -7.233) 8.452 10.596 ( -1.680 1.206 18.010) 18.128 11.510 ( 2.976 -0.586 -9.047) 9.541 11.676 ( -3.093 -0.826 59.934) 60.020 12.359 ( -1.269 -0.159 6.383) 6.510 12.576 ( 1.012 0.008 15.530) 15.563 13.888 ( 8.312 -1.494 7.489) 11.288 15.119 ( 1.914 -0.597 -3.799) 4.296 18.260 ( -6.231 -1.152 -2.038) 6.656 18.664 ( 10.504 -9.593 0.179) 14.227 19.316 ( -0.172 7.476 -9.539) 12.120 20.115 ( -3.339 -1.752 -5.790) 6.910 23.690 ( -4.282 -6.503 -4.983) 9.244 24.067 ( -9.320 10.416 -6.058) 15.233 ======================= Grid point 173 (77/251) ======================= q-point: ( 0.60 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.404 ( 12.310 0.000 11.653) 16.951 2.643 ( 14.548 0.000 10.767) 18.099 2.673 ( -8.135 -0.000 17.557) 19.350 2.819 ( -4.241 -0.000 2.221) 4.787 3.166 ( 2.468 0.000 0.744) 2.577 3.389 ( 18.908 0.000 19.370) 27.069 3.429 ( -2.039 -0.000 -1.988) 2.848 3.749 ( -2.473 -0.000 5.262) 5.815 3.837 ( 1.246 0.000 5.957) 6.085 4.213 ( -9.878 -0.000 2.152) 10.109 5.313 ( -4.354 -0.000 -6.505) 7.827 5.737 ( -4.260 -0.000 -4.105) 5.916 5.743 ( -3.119 -0.000 5.443) 6.273 6.372 ( 0.079 0.000 -2.927) 2.928 6.615 ( 9.823 0.000 2.279) 10.084 6.773 ( 0.789 0.000 1.537) 1.727 6.879 ( 2.104 0.000 -4.190) 4.689 7.051 ( 1.204 0.000 -2.844) 3.089 7.248 ( 4.091 0.000 6.496) 7.677 7.698 ( 2.114 0.000 10.515) 10.725 8.448 ( 1.975 0.000 -8.988) 9.202 8.809 ( -2.932 -0.000 -4.334) 5.233 9.615 ( 12.766 0.000 -5.598) 13.939 10.588 ( -1.244 -0.000 19.720) 19.760 11.463 ( 4.438 0.000 -17.775) 18.320 11.525 ( -11.242 -0.000 77.031) 77.847 12.358 ( -1.557 -0.000 3.078) 3.450 12.497 ( 0.326 0.000 9.511) 9.517 13.362 ( 12.340 0.000 5.791) 13.632 15.140 ( -0.721 -0.000 -7.512) 7.546 17.936 ( 15.066 0.000 1.755) 15.168 18.506 ( -7.253 -0.000 -2.167) 7.570 19.373 ( 6.465 0.000 -5.175) 8.281 20.305 ( -6.021 -0.000 -3.952) 7.203 23.998 ( -12.271 -0.000 -7.257) 14.257 24.724 ( -11.989 -0.000 -9.527) 15.313 ======================= Grid point 175 (78/251) ======================= q-point: (-0.30 0.60 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( -9.679 0.976 14.646) 17.583 2.565 ( 2.008 4.025 9.812) 10.794 2.790 ( 6.852 3.448 3.258) 8.334 2.846 ( 4.336 2.682 3.768) 6.340 3.270 ( 5.184 -10.394 -0.064) 11.615 3.369 ( -2.618 1.363 -1.566) 3.341 3.603 ( -0.735 9.610 25.012) 26.805 3.810 ( 2.223 4.112 -1.113) 4.806 3.884 ( 7.876 -5.035 8.438) 12.593 4.084 ( -1.445 -2.066 2.174) 3.329 5.181 ( -8.699 1.606 -4.521) 9.934 5.673 ( -0.657 1.133 -1.521) 2.008 5.706 ( -1.469 1.848 -0.419) 2.397 6.372 ( -0.043 -1.886 -4.512) 4.890 6.782 ( 5.988 1.343 5.441) 8.201 6.801 ( 5.419 1.310 0.792) 5.631 6.945 ( 2.755 -5.544 -3.713) 7.219 7.096 ( 3.885 -1.921 -2.115) 4.822 7.337 ( 2.583 -3.561 5.726) 7.221 7.745 ( 1.212 0.831 10.404) 10.507 8.425 ( -2.594 1.998 -7.668) 8.338 8.730 ( -1.420 4.961 -2.538) 5.751 9.843 ( 12.318 -2.779 -6.353) 14.135 10.598 ( -2.263 0.710 21.834) 21.963 11.487 ( 2.384 1.485 -4.064) 4.940 11.554 ( -4.797 -2.537 59.814) 60.060 12.344 ( -1.263 -0.898 3.494) 3.822 12.528 ( 0.685 -0.099 11.058) 11.080 13.622 ( 14.469 -0.817 7.639) 16.382 15.114 ( -0.249 -0.012 -7.119) 7.124 18.223 ( 15.683 -2.744 1.612) 16.002 18.367 ( -8.041 -0.485 -2.216) 8.355 19.468 ( 7.051 3.129 -7.982) 11.100 20.182 ( -6.692 -0.432 -5.253) 8.519 23.755 ( -13.552 -1.011 -5.811) 14.780 24.473 ( -13.378 2.037 -8.526) 15.995 ======================= Grid point 176 (79/251) ======================= q-point: (-0.20 0.60 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -14.285 1.370 10.755) 17.933 2.493 ( -7.531 0.900 11.092) 13.437 2.818 ( 2.657 8.609 -0.807) 9.045 3.006 ( 12.625 -0.773 4.622) 13.467 3.299 ( -3.524 2.977 0.325) 4.625 3.394 ( 0.051 -1.871 2.146) 2.847 3.525 ( -3.638 5.486 9.071) 11.207 3.773 ( -2.246 6.946 5.247) 8.990 3.956 ( 3.028 -9.211 9.541) 13.603 4.315 ( 11.976 -6.723 1.988) 13.877 4.969 ( -12.092 3.125 -2.338) 12.706 5.660 ( 0.103 3.358 -5.050) 6.065 5.680 ( 1.869 1.506 1.334) 2.746 6.386 ( -0.632 -5.147 -6.193) 8.077 6.819 ( 3.645 3.120 -1.525) 5.034 6.935 ( 6.204 0.849 6.827) 9.263 7.033 ( 3.777 -2.907 -2.087) 5.203 7.197 ( 3.655 -4.473 -0.075) 5.777 7.419 ( -0.215 -6.775 5.944) 9.015 7.769 ( 0.041 1.363 10.070) 10.161 8.274 ( -7.209 7.815 -2.468) 10.915 8.697 ( 3.632 4.977 -4.083) 7.391 10.020 ( 7.129 -0.449 -7.174) 10.124 10.599 ( -2.900 -0.364 21.892) 22.087 11.508 ( 3.003 0.354 -12.304) 12.670 11.652 ( -1.676 -1.465 65.856) 65.894 12.349 ( 0.013 -0.747 4.771) 4.829 12.577 ( 1.657 0.032 16.276) 16.360 13.864 ( 9.144 -1.012 7.519) 11.882 15.110 ( 1.520 -0.297 -4.656) 4.907 18.242 ( -5.898 -0.766 -2.664) 6.517 18.519 ( 13.183 -5.523 0.999) 14.328 19.490 ( 3.435 9.310 -11.933) 15.519 20.079 ( -4.414 -1.983 -6.306) 7.949 23.561 ( -10.396 -6.373 -4.331) 12.940 24.206 ( -11.202 4.808 -6.847) 13.982 ======================= Grid point 177 (80/251) ======================= q-point: (-0.10 -0.40 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -14.883 -2.786 6.822) 16.607 2.388 ( -10.205 -5.637 16.955) 20.577 2.780 ( 1.752 8.025 -0.946) 8.268 3.147 ( -4.750 4.639 -1.654) 6.842 3.205 ( 1.433 1.804 2.404) 3.329 3.399 ( 5.455 11.641 13.952) 18.972 3.453 ( -1.146 -1.275 -2.981) 3.439 3.657 ( -4.581 0.685 3.282) 5.676 4.211 ( 6.387 -14.693 1.433) 16.085 4.498 ( 1.688 -5.058 8.526) 10.056 4.714 ( -12.352 2.811 -1.597) 12.768 5.614 ( 1.137 6.708 -4.771) 8.310 5.714 ( 2.514 -0.139 0.002) 2.518 6.417 ( -1.214 -7.907 -6.825) 10.515 6.848 ( 3.655 3.741 -3.008) 6.033 7.004 ( 1.341 2.520 4.166) 5.050 7.110 ( 1.686 -2.375 0.490) 2.953 7.279 ( 1.593 -3.321 0.447) 3.711 7.475 ( -2.105 -6.886 6.747) 9.868 7.772 ( -0.136 1.001 10.213) 10.263 8.083 ( -2.555 13.542 2.212) 13.957 8.726 ( 4.150 2.545 -4.757) 6.806 10.065 ( 1.570 2.449 -6.279) 6.920 10.583 ( -4.977 -0.121 18.757) 19.407 11.527 ( 2.915 -0.390 -18.853) 19.081 11.805 ( 1.878 0.842 67.977) 68.008 12.375 ( 1.318 0.443 6.069) 6.226 12.656 ( 2.560 1.680 28.449) 28.614 13.952 ( -1.788 -0.544 5.491) 5.800 15.158 ( 3.695 -0.926 -0.657) 3.866 18.180 ( -0.836 -0.676 -3.558) 3.717 18.755 ( 7.224 -4.381 -0.570) 8.468 19.351 ( -3.384 12.830 -14.726) 19.822 20.048 ( -0.268 -2.931 -7.131) 7.714 23.527 ( -2.578 -14.104 -3.867) 14.850 23.995 ( -5.849 4.934 -4.715) 8.988 ======================= Grid point 185 (81/251) ======================= q-point: (-0.30 -0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -13.994 -0.000 22.870) 26.812 2.472 ( -13.265 -0.000 5.970) 14.547 2.983 ( 11.226 0.000 3.590) 11.786 3.013 ( 6.153 0.000 -9.031) 10.928 3.240 ( 1.459 0.000 1.475) 2.075 3.315 ( -2.821 -0.000 -4.977) 5.721 3.721 ( -2.084 -0.000 7.481) 7.766 3.757 ( 4.149 0.000 22.452) 22.833 3.918 ( -11.497 -0.000 4.133) 12.217 4.210 ( 14.101 0.000 1.972) 14.238 4.998 ( -12.162 -0.000 -2.262) 12.371 5.663 ( 0.781 0.000 -4.235) 4.307 5.729 ( 1.473 0.000 0.357) 1.516 6.336 ( -1.562 -0.000 -6.302) 6.493 6.911 ( 6.395 0.000 3.591) 7.334 6.918 ( 4.847 0.000 3.553) 6.010 6.967 ( 4.974 0.000 -2.472) 5.554 7.150 ( 3.820 0.000 -2.004) 4.314 7.356 ( -0.406 -0.000 6.952) 6.963 7.783 ( 0.217 0.000 10.241) 10.244 8.344 ( -5.113 -0.000 -7.456) 9.041 8.759 ( 2.311 0.000 -2.010) 3.063 10.010 ( 9.141 0.000 -6.330) 11.119 10.595 ( -3.981 -0.000 23.615) 23.948 11.514 ( 3.174 0.000 -19.682) 19.937 11.636 ( -1.490 -0.000 74.509) 74.524 12.341 ( 0.570 0.000 3.756) 3.799 12.577 ( 1.916 0.000 16.445) 16.556 13.854 ( 9.446 0.000 7.550) 12.093 15.108 ( 1.378 0.000 -4.975) 5.162 18.234 ( -5.791 -0.000 -2.933) 6.491 18.469 ( 13.527 0.000 1.123) 13.574 19.587 ( 6.838 0.000 -12.847) 14.554 20.056 ( -5.750 -0.000 -6.384) 8.591 23.497 ( -13.582 -0.000 -4.050) 14.173 24.249 ( -11.469 -0.000 -6.970) 13.420 ======================= Grid point 186 (82/251) ======================= q-point: (-0.20 -0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( -18.250 4.529 17.170) 25.463 2.248 ( -17.358 -8.592 17.310) 25.976 2.979 ( 3.036 11.888 -5.920) 13.623 3.170 ( 4.333 -4.753 -2.091) 6.763 3.229 ( -3.498 3.606 -3.976) 6.407 3.341 ( 2.223 -6.460 0.486) 6.849 3.661 ( -2.597 8.450 5.687) 10.512 3.713 ( -4.165 7.178 8.955) 12.209 3.959 ( 5.517 -11.666 2.998) 13.248 4.375 ( 0.439 -5.869 9.039) 10.786 4.763 ( -13.229 1.617 0.512) 13.337 5.678 ( 1.998 0.602 -4.661) 5.107 5.745 ( 1.824 2.441 -0.401) 3.073 6.308 ( -1.406 -3.397 -6.607) 7.561 6.946 ( 4.842 6.442 -1.263) 8.157 7.033 ( 2.747 0.099 3.959) 4.820 7.063 ( 2.782 -3.014 0.697) 4.160 7.216 ( 2.653 -2.495 -1.811) 4.067 7.362 ( -2.191 -4.231 10.466) 11.500 7.795 ( -0.835 1.000 9.828) 9.914 8.252 ( -0.523 4.641 -7.178) 8.564 8.791 ( 3.470 2.991 -2.769) 5.353 10.102 ( 3.257 1.219 -6.802) 7.639 10.568 ( -5.512 -0.885 23.162) 23.825 11.523 ( 2.824 -0.085 -19.947) 20.146 11.812 ( 3.210 0.108 71.752) 71.824 12.377 ( 2.238 -0.072 5.232) 5.691 12.679 ( 4.562 0.698 31.910) 32.242 13.944 ( -1.247 -0.251 5.413) 5.561 15.146 ( 3.491 -0.322 -1.302) 3.740 18.171 ( -0.456 -0.288 -3.929) 3.966 18.686 ( 9.826 -2.228 0.532) 10.090 19.598 ( 2.035 10.497 -18.473) 21.344 19.981 ( -2.274 -3.738 -7.100) 8.340 23.307 ( -10.054 -7.589 -2.537) 12.849 24.057 ( -7.875 1.713 -5.372) 9.685 ======================= Grid point 187 (83/251) ======================= q-point: (-0.10 -0.30 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -19.333 -3.576 13.149) 23.652 2.101 ( -16.427 -12.025 26.112) 33.110 2.893 ( -1.453 10.944 -3.931) 11.719 3.022 ( -11.975 4.863 -0.774) 12.948 3.258 ( 3.549 0.292 -2.445) 4.320 3.347 ( -6.950 -6.624 -2.978) 10.052 3.651 ( 2.033 10.809 7.198) 13.145 3.670 ( 8.505 3.605 6.592) 11.348 4.003 ( -16.307 -11.755 -5.856) 20.938 4.466 ( 0.880 -13.525 1.281) 13.614 4.557 ( -6.508 4.599 10.851) 13.464 5.683 ( 2.100 5.216 -3.036) 6.391 5.773 ( 3.562 -0.019 0.754) 3.641 6.324 ( 0.059 -5.377 -6.497) 8.434 6.958 ( 1.482 4.422 -3.038) 5.566 6.994 ( -3.348 4.553 -0.545) 5.677 7.105 ( -0.166 -1.236 2.860) 3.120 7.273 ( 1.257 -3.181 -1.203) 3.626 7.418 ( -0.411 -5.157 11.916) 12.991 7.795 ( -0.731 -0.335 10.297) 10.328 8.206 ( 3.970 9.839 -6.550) 12.469 8.809 ( 2.810 3.841 -3.277) 5.778 10.077 ( -1.660 2.779 -6.769) 7.503 10.512 ( -7.334 -0.471 20.373) 21.658 11.526 ( 2.378 -0.221 -20.531) 20.670 12.034 ( 6.408 1.841 56.425) 56.818 12.431 ( 2.543 0.811 6.575) 7.096 12.873 ( 9.168 6.355 66.312) 67.243 13.852 ( -9.812 -0.089 3.938) 10.573 15.211 ( 2.885 -0.773 0.608) 3.048 18.209 ( 5.475 -0.089 -4.398) 7.023 18.828 ( 3.797 0.184 -2.156) 4.370 19.367 ( -6.860 18.517 -20.570) 28.514 20.014 ( 2.359 -5.633 -8.015) 10.077 23.327 ( -1.001 -21.579 -2.796) 21.783 23.935 ( -3.180 1.201 -3.854) 5.139 ======================= Grid point 196 (84/251) ======================= q-point: (-0.20 -0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -25.359 -0.000 11.337) 27.778 1.955 ( -15.974 -0.000 34.521) 38.038 3.022 ( -4.314 -0.000 -3.883) 5.804 3.117 ( -10.784 -0.000 -0.168) 10.786 3.186 ( -2.936 -0.000 -6.059) 6.733 3.289 ( -0.537 -0.000 -2.141) 2.207 3.649 ( 5.397 0.000 4.603) 7.093 3.865 ( 5.504 0.000 6.737) 8.700 3.873 ( -12.041 -0.000 -7.392) 14.129 4.296 ( -4.397 -0.000 4.426) 6.238 4.600 ( -6.460 -0.000 10.249) 12.115 5.731 ( 4.787 0.000 -1.812) 5.118 5.775 ( 0.798 0.000 -1.091) 1.352 6.273 ( 0.891 0.000 -5.593) 5.664 6.998 ( -5.447 -0.000 -4.198) 6.877 7.056 ( 3.235 0.000 -0.742) 3.319 7.097 ( 1.349 0.000 4.408) 4.610 7.239 ( 1.724 0.000 -2.234) 2.822 7.348 ( 0.019 0.000 15.674) 15.674 7.796 ( -1.896 -0.000 8.921) 9.120 8.298 ( 4.790 0.000 -12.162) 13.072 8.852 ( 2.636 0.000 -2.741) 3.803 10.107 ( -1.705 -0.000 -7.616) 7.804 10.503 ( -7.051 -0.000 23.287) 24.331 11.524 ( 2.487 0.000 -20.621) 20.771 12.051 ( 6.962 0.000 55.473) 55.908 12.438 ( 2.957 0.000 6.433) 7.080 12.936 ( 13.514 0.000 74.153) 75.375 13.850 ( -9.745 -0.000 3.593) 10.386 15.204 ( 2.914 0.000 0.370) 2.938 18.209 ( 5.824 0.000 -4.507) 7.364 18.817 ( 6.460 0.000 -0.575) 6.486 19.631 ( -0.747 -0.000 -27.806) 27.816 19.909 ( -0.968 -0.000 -5.598) 5.681 23.096 ( -8.518 -0.000 -0.770) 8.553 23.947 ( -4.352 -0.000 -4.219) 6.062 ======================= Grid point 197 (85/251) ======================= q-point: (-0.10 -0.20 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -23.359 -6.654 15.581) 28.856 1.793 ( -16.301 -6.804 39.053) 42.862 2.754 ( -21.864 6.863 0.825) 22.930 2.867 ( -13.958 -1.311 3.226) 14.386 3.154 ( -4.837 -6.068 -3.556) 8.537 3.339 ( 2.833 2.439 -2.984) 4.783 3.498 ( -24.282 -4.184 -4.472) 25.042 3.779 ( 6.453 1.217 1.852) 6.823 3.906 ( 5.652 10.601 4.719) 12.908 4.315 ( -2.149 -11.060 -7.877) 13.747 4.583 ( 1.696 -0.344 11.270) 11.402 5.763 ( 1.292 4.170 0.314) 4.377 5.851 ( 6.787 -1.434 3.619) 7.824 6.305 ( 2.899 -1.680 -6.050) 6.916 6.854 ( -7.985 0.858 -7.364) 10.897 7.073 ( -0.170 1.592 2.392) 2.878 7.115 ( 1.781 4.493 2.339) 5.370 7.258 ( -0.135 -1.528 -1.350) 2.043 7.404 ( -0.246 -3.990 14.989) 15.513 7.780 ( -2.166 -1.273 7.670) 8.071 8.326 ( 3.495 4.750 -14.159) 15.338 8.870 ( 1.538 2.603 -3.051) 4.296 10.021 ( -4.909 1.310 -8.026) 9.499 10.427 ( -7.281 0.144 21.798) 22.982 11.516 ( 1.579 0.030 -20.437) 20.498 12.250 ( 5.710 0.779 26.284) 26.908 12.493 ( 1.702 0.679 7.056) 7.290 13.503 ( 28.558 14.588 125.428) 129.463 13.672 ( -7.450 -1.377 14.163) 16.062 15.238 ( 0.840 -0.349 -0.546) 1.061 18.334 ( 9.168 0.553 -4.319) 10.150 18.885 ( 1.611 4.048 -5.375) 6.919 19.352 ( -11.074 23.226 -29.565) 39.194 19.975 ( 3.447 -11.357 -6.937) 13.747 23.091 ( -1.299 -24.264 -1.192) 24.328 23.893 ( -1.085 -0.465 -3.425) 3.622 ======================= Grid point 207 (86/251) ======================= q-point: (-0.10 -0.10 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -22.016 -0.000 22.007) 31.129 1.566 ( -18.401 -0.000 41.635) 45.520 2.338 ( -42.650 -0.000 23.668) 48.776 2.412 ( -21.137 -0.000 -0.301) 21.139 3.060 ( -3.740 -0.000 -3.564) 5.166 3.133 ( -10.370 -0.000 -5.593) 11.782 3.458 ( 6.202 0.000 -4.399) 7.603 3.897 ( 5.016 0.000 1.763) 5.317 4.057 ( 3.385 0.000 3.642) 4.972 4.185 ( -3.384 -0.000 -7.515) 8.241 4.644 ( 3.715 0.000 4.210) 5.615 5.799 ( 0.967 0.000 2.735) 2.901 5.988 ( 7.052 0.000 6.932) 9.888 6.353 ( 4.523 0.000 -7.540) 8.793 6.709 ( -6.547 -0.000 -7.634) 10.057 7.049 ( -2.581 -0.000 1.733) 3.109 7.206 ( 2.904 0.000 2.822) 4.049 7.236 ( -0.868 -0.000 -1.290) 1.554 7.397 ( -1.880 -0.000 15.724) 15.836 7.742 ( -2.621 -0.000 4.004) 4.785 8.325 ( -2.298 -0.000 -15.999) 16.163 8.893 ( 0.477 0.000 -3.343) 3.376 9.915 ( -5.331 -0.000 -8.072) 9.673 10.362 ( -5.786 -0.000 21.667) 22.427 11.490 ( 0.525 0.000 -19.546) 19.553 12.365 ( 3.059 0.000 11.130) 11.543 12.523 ( -0.411 -0.000 6.583) 6.596 13.476 ( -9.093 -0.000 2.337) 9.388 14.958 ( 85.542 0.000 193.021) 211.127 15.235 ( -0.503 -0.000 -2.545) 2.594 18.494 ( 9.128 0.000 -3.568) 9.800 18.912 ( -1.945 -0.000 -16.508) 16.622 19.198 ( -15.132 -0.000 -37.484) 40.423 19.927 ( 2.285 0.000 -0.845) 2.436 22.897 ( -3.367 -0.000 1.289) 3.605 23.876 ( 0.242 0.000 -3.348) 3.356 ======================= Grid point 208 (87/251) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -11.061 -0.000 18.783) 21.798 1.299 ( -7.168 -0.000 31.880) 32.676 1.953 ( 1.363 0.000 -2.416) 2.774 2.845 ( -0.592 -0.000 25.800) 25.807 2.972 ( -3.891 -0.000 13.496) 14.046 3.271 ( 2.507 0.000 19.917) 20.074 3.422 ( 0.609 0.000 -8.219) 8.242 3.999 ( -0.906 -0.000 0.651) 1.116 4.075 ( -4.295 -0.000 -0.713) 4.354 4.389 ( 1.744 0.000 23.778) 23.842 4.776 ( 6.653 0.000 -9.160) 11.321 5.975 ( 1.425 0.000 -2.042) 2.490 6.118 ( 3.864 0.000 12.408) 12.996 6.189 ( -6.266 -0.000 3.434) 7.146 6.842 ( -3.771 -0.000 -6.984) 7.937 7.008 ( 8.670 0.000 12.730) 15.402 7.125 ( -2.394 -0.000 -3.274) 4.056 7.407 ( -2.434 -0.000 4.597) 5.201 7.426 ( -12.600 -0.000 14.252) 19.023 7.672 ( -0.579 -0.000 1.567) 1.671 8.147 ( 3.114 0.000 -4.289) 5.300 8.831 ( -2.512 -0.000 1.100) 2.742 9.637 ( 4.289 0.000 -10.312) 11.168 10.846 ( -2.505 -0.000 27.897) 28.010 10.935 ( 3.091 0.000 -29.973) 30.132 12.553 ( -1.794 -0.000 0.969) 2.039 12.660 ( 0.778 0.000 12.005) 12.030 13.436 ( 1.237 0.000 7.115) 7.221 15.007 ( -0.672 -0.000 -11.755) 11.774 15.943 ( -60.921 -0.000 -17.947) 63.509 18.620 ( 2.223 0.000 -3.097) 3.812 18.916 ( -1.829 -0.000 -5.319) 5.625 20.106 ( 0.828 0.000 5.720) 5.779 20.568 ( 28.847 0.000 -2.190) 28.930 22.917 ( -0.003 -0.000 4.518) 4.518 23.755 ( -0.773 -0.000 -7.313) 7.354 ======================= Grid point 209 (88/251) ======================= q-point: ( 0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 34.872 -4.042 14.217) 37.875 1.365 ( 3.112 -15.707 25.048) 29.729 2.134 ( 14.632 -6.738 -2.070) 16.241 2.888 ( -4.317 -1.927 41.927) 42.193 2.950 ( -1.406 -2.106 3.660) 4.450 3.367 ( 1.957 2.290 3.112) 4.331 3.440 ( 3.733 -5.725 -1.280) 6.954 3.914 ( -8.196 0.269 -2.504) 8.574 4.004 ( -1.807 4.048 2.453) 5.067 4.455 ( -0.096 -0.915 23.235) 23.253 4.839 ( 2.370 0.451 -10.481) 10.755 6.015 ( -6.649 5.793 6.885) 11.188 6.069 ( 2.736 2.726 7.277) 8.239 6.195 ( 0.242 -7.285 9.044) 11.615 6.821 ( 3.385 1.221 -4.907) 6.085 7.058 ( -3.431 1.445 -5.726) 6.830 7.118 ( -1.408 1.858 9.126) 9.419 7.236 ( -0.670 8.969 13.680) 16.372 7.388 ( -3.253 -4.386 4.078) 6.815 7.723 ( 1.446 -4.879 4.454) 6.763 8.217 ( 4.523 -1.660 -6.712) 8.262 8.776 ( -3.073 1.983 0.458) 3.686 9.714 ( 8.060 2.672 -9.298) 12.592 10.867 ( -2.037 0.291 26.699) 26.778 10.934 ( 3.925 -0.738 -29.184) 29.456 12.517 ( -2.135 1.286 0.893) 2.647 12.704 ( 1.097 0.171 11.466) 11.519 13.523 ( 7.491 1.393 9.455) 12.143 14.820 ( -59.617 9.895 26.628) 66.039 14.980 ( 0.399 0.004 -11.031) 11.038 18.615 ( -1.325 1.113 -2.767) 3.264 18.863 ( -3.296 -0.514 -5.779) 6.673 19.959 ( 0.062 32.259 8.227) 33.292 20.562 ( -5.652 18.120 -3.116) 19.235 23.138 ( -2.265 -38.023 -3.687) 38.269 23.735 ( -1.159 -3.156 -7.644) 8.351 ======================= Grid point 210 (89/251) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 6.565 -15.396 19.077) 25.379 2.089 ( 41.913 -7.198 5.103) 42.832 2.493 ( 17.230 -8.104 -1.849) 19.130 2.926 ( -5.144 -5.419 41.019) 41.694 2.974 ( 0.287 -4.263 1.483) 4.523 3.323 ( -4.671 -2.142 -5.736) 7.701 3.601 ( 6.700 -2.143 1.331) 7.159 3.752 ( -7.278 -1.301 -2.778) 7.898 3.924 ( -3.655 5.534 4.755) 8.161 4.518 ( 2.315 1.351 20.911) 21.082 4.818 ( -1.982 -1.553 -8.483) 8.849 5.782 ( -13.922 2.765 5.464) 15.209 6.037 ( -6.669 1.059 6.844) 9.615 6.405 ( 14.461 0.570 12.208) 18.934 6.861 ( 0.913 2.622 -2.503) 3.738 6.985 ( 1.079 6.494 1.578) 6.769 7.023 ( -2.141 2.651 0.517) 3.447 7.273 ( 3.907 1.863 9.452) 10.396 7.437 ( 1.683 -5.580 5.814) 8.232 7.798 ( 0.070 -5.571 6.343) 8.442 8.271 ( 1.228 -1.002 -7.197) 7.369 8.694 ( -2.732 4.399 -0.615) 5.214 9.808 ( 8.850 5.577 -8.076) 13.216 10.883 ( -1.506 -0.115 17.747) 17.811 10.958 ( 3.581 -2.089 -21.557) 21.952 12.457 ( -2.877 2.483 0.824) 3.889 12.725 ( -1.522 0.895 9.253) 9.420 13.703 ( 11.409 2.593 13.746) 18.051 13.973 ( -37.521 6.201 60.714) 71.641 14.975 ( 1.894 0.303 -8.875) 9.080 18.543 ( -5.113 1.400 -2.176) 5.731 18.787 ( -3.977 0.184 -5.292) 6.623 19.647 ( 0.892 36.468 6.365) 37.030 20.309 ( -9.719 4.559 -4.783) 11.753 23.378 ( -5.488 -31.372 -6.409) 32.487 23.739 ( -0.614 -4.710 -7.411) 8.802 ======================= Grid point 211 (90/251) ======================= q-point: ( 0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 8.178 -12.069 13.750) 20.040 2.696 ( 18.766 0.616 -1.805) 18.863 2.829 ( 13.780 -5.689 9.265) 17.552 2.934 ( -1.218 3.535 7.689) 8.550 3.116 ( 1.999 -16.439 18.032) 24.482 3.244 ( -5.439 -4.857 -6.532) 9.790 3.564 ( -5.850 -2.616 -2.422) 6.851 3.792 ( -3.745 7.011 7.819) 11.150 3.887 ( 12.355 -5.989 0.406) 13.736 4.596 ( 4.756 5.093 17.221) 18.578 4.785 ( -3.684 -5.428 -5.297) 8.432 5.548 ( -11.416 0.979 4.991) 12.498 5.905 ( -7.627 1.350 2.371) 8.100 6.621 ( 8.990 7.508 8.041) 14.208 6.811 ( 0.256 2.926 -2.825) 4.076 6.926 ( -0.768 3.225 7.901) 8.568 7.098 ( 8.275 1.362 1.456) 8.511 7.344 ( 2.791 1.243 7.732) 8.314 7.535 ( 1.013 -6.613 4.732) 8.194 7.860 ( -0.267 -5.814 8.901) 10.635 8.223 ( -5.974 0.540 -2.270) 6.413 8.619 ( 0.811 5.954 -3.703) 7.058 9.874 ( 6.795 6.372 -6.648) 11.444 10.900 ( -0.742 -1.540 9.529) 9.681 10.993 ( 2.261 -3.087 -15.576) 16.039 12.388 ( -2.358 2.471 1.493) 3.728 12.667 ( -5.587 1.297 8.911) 10.597 13.635 ( -14.730 -0.161 77.542) 78.929 13.943 ( 11.226 1.486 11.529) 16.160 15.009 ( 4.739 1.075 -4.457) 6.594 18.403 ( -8.631 1.690 -2.017) 9.023 18.716 ( -2.867 -0.645 -5.170) 5.947 19.392 ( 1.490 25.831 -0.995) 25.893 20.115 ( -7.994 1.153 -8.144) 11.469 23.507 ( -4.216 -19.318 -5.720) 20.583 23.765 ( 0.398 -4.547 -6.703) 8.109 ======================= Grid point 212 (91/251) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.111 ( 6.242 -6.026 9.740) 13.044 2.794 ( -6.354 4.371 4.251) 8.807 2.835 ( 0.059 1.546 -1.095) 1.895 3.072 ( 4.126 -1.108 2.247) 4.827 3.224 ( 1.101 -10.515 3.298) 11.075 3.327 ( 1.698 -8.805 13.272) 16.018 3.478 ( -7.897 -1.070 -0.381) 7.978 3.729 ( 0.594 2.182 6.333) 6.725 4.236 ( 18.169 -4.871 -0.909) 18.832 4.651 ( 3.672 4.775 8.492) 10.411 4.747 ( -5.729 -4.296 -0.384) 7.171 5.423 ( -4.220 -1.982 5.426) 7.154 5.780 ( -4.578 2.242 0.297) 5.107 6.615 ( 0.330 6.987 -0.808) 7.041 6.760 ( -1.224 6.049 -2.835) 6.792 7.014 ( 5.555 -2.201 13.634) 14.885 7.224 ( 6.621 2.734 4.556) 8.490 7.352 ( -2.220 0.980 4.424) 5.046 7.593 ( -1.168 -4.909 2.706) 5.726 7.932 ( -0.455 -3.997 10.524) 11.267 8.087 ( -7.624 -1.094 6.536) 10.102 8.607 ( 4.352 4.570 -5.094) 8.110 9.902 ( 3.720 4.186 -6.161) 8.325 10.923 ( -1.017 -2.609 6.218) 6.820 11.018 ( 1.013 -3.195 -14.496) 14.878 12.350 ( -0.319 1.087 1.819) 2.143 12.586 ( -4.612 0.384 11.583) 12.473 13.704 ( -1.825 -5.384 83.177) 83.371 14.093 ( 3.961 0.856 7.720) 8.719 15.104 ( 7.801 2.194 1.787) 8.298 18.229 ( -8.092 1.565 -3.204) 8.843 18.669 ( -4.428 -4.393 -6.860) 9.271 19.211 ( 1.380 17.883 -6.659) 19.133 19.982 ( -3.861 0.937 -9.665) 10.449 23.570 ( -1.231 -8.007 -5.300) 9.681 23.802 ( 1.484 -2.748 -5.784) 6.573 ======================= Grid point 213 (92/251) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 1.212 0.122 8.400) 8.488 2.630 ( -8.005 1.172 3.412) 8.781 2.780 ( -4.169 2.011 -1.364) 4.826 3.094 ( -1.462 -2.908 0.833) 3.360 3.307 ( -6.587 1.534 -1.348) 6.897 3.401 ( 2.993 -7.805 13.243) 15.661 3.486 ( 3.692 -7.235 8.905) 12.053 3.723 ( -2.224 0.582 4.764) 5.289 4.415 ( 3.116 9.937 -3.672) 11.042 4.646 ( -7.856 -2.673 2.435) 8.649 4.730 ( 4.904 0.009 0.726) 4.958 5.451 ( 1.342 -4.637 6.534) 8.124 5.737 ( 2.449 1.761 1.318) 3.292 6.521 ( -2.808 9.553 0.105) 9.958 6.722 ( 1.409 -2.196 -4.060) 4.826 7.068 ( -6.827 -0.854 9.437) 11.679 7.263 ( -0.641 1.478 7.741) 7.907 7.325 ( 1.961 3.266 -1.416) 4.064 7.620 ( -0.189 -2.970 3.250) 4.407 7.933 ( -1.192 -1.901 9.312) 9.578 8.078 ( -2.176 -5.028 12.482) 13.632 8.658 ( 5.184 1.189 -2.129) 5.729 9.901 ( 0.628 1.252 -7.132) 7.268 10.930 ( -3.339 -3.191 9.371) 10.448 11.023 ( 0.934 -2.103 -18.502) 18.645 12.367 ( 1.876 -0.706 1.487) 2.496 12.558 ( -1.909 -0.538 13.170) 13.318 14.004 ( 4.231 -9.946 76.152) 76.915 14.106 ( -1.341 -1.755 19.521) 19.646 15.214 ( 5.634 2.733 4.595) 7.766 18.114 ( -2.144 0.996 -4.233) 4.849 18.580 ( -11.302 -9.072 -12.725) 19.286 19.094 ( 3.258 12.831 -8.043) 15.490 19.925 ( 1.001 1.738 -8.849) 9.073 23.590 ( 2.026 2.437 -5.517) 6.363 23.836 ( 2.373 0.300 -5.050) 5.588 ======================= Grid point 214 (93/251) ======================= q-point: (-0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -6.757 6.678 13.651) 16.632 2.506 ( -9.045 -0.780 1.685) 9.234 2.707 ( -2.457 -1.989 -0.199) 3.167 3.073 ( -6.381 -3.370 6.289) 9.572 3.221 ( 1.820 3.702 -4.848) 6.365 3.463 ( -5.619 -1.889 16.316) 17.360 3.631 ( 0.205 -6.527 6.219) 9.018 3.712 ( 3.054 -2.964 0.248) 4.263 4.217 ( -10.347 15.384 -0.902) 18.562 4.528 ( -3.545 6.079 -1.380) 7.171 4.753 ( -3.061 -0.666 1.980) 3.705 5.553 ( 3.267 -6.258 2.609) 7.527 5.843 ( 9.446 1.880 7.266) 12.065 6.376 ( -3.699 7.483 -0.736) 8.379 6.821 ( 3.375 -8.571 -1.380) 9.314 6.898 ( -11.618 -1.161 2.051) 11.855 7.237 ( -3.398 0.691 7.866) 8.597 7.309 ( 1.010 5.331 -2.568) 6.003 7.643 ( -0.930 -1.545 6.535) 6.779 8.019 ( 3.506 -5.879 6.400) 9.371 8.088 ( -3.006 -0.821 11.514) 11.928 8.743 ( 3.788 -2.050 1.801) 4.669 9.865 ( -2.535 -0.635 -9.093) 9.461 10.906 ( -5.958 -3.522 16.273) 17.684 11.013 ( 1.980 -0.631 -24.441) 24.529 12.427 ( 2.891 -2.259 1.409) 3.930 12.577 ( -0.488 -1.042 13.575) 13.624 13.948 ( -11.076 -0.453 5.978) 12.594 14.628 ( 20.027 -23.363 99.658) 104.300 15.247 ( 0.025 2.269 1.316) 2.623 18.119 ( 2.922 -0.079 -4.717) 5.549 18.388 ( -16.238 -11.888 -20.748) 28.905 19.046 ( 3.679 8.467 -6.633) 11.368 19.942 ( 5.235 3.129 -6.577) 8.970 23.572 ( 5.151 12.631 -6.229) 14.996 23.854 ( 2.861 3.565 -4.761) 6.600 ======================= Grid point 215 (94/251) ======================= q-point: (-0.30 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -11.064 11.273 18.640) 24.432 2.315 ( -14.509 -0.409 5.530) 15.532 2.674 ( -7.095 -2.506 1.648) 7.703 2.978 ( -5.343 0.962 1.975) 5.777 3.253 ( 2.639 2.020 -2.048) 3.903 3.369 ( -5.977 0.438 11.355) 12.839 3.617 ( -12.967 -2.690 5.380) 14.294 3.749 ( -4.811 3.888 4.787) 7.822 3.955 ( 3.192 5.544 5.337) 8.331 4.417 ( 0.101 10.609 -2.384) 10.874 4.700 ( -3.846 -2.029 1.872) 4.734 5.682 ( 4.813 -5.653 0.630) 7.451 6.009 ( 8.478 2.369 8.449) 12.201 6.281 ( -1.881 2.259 2.276) 3.718 6.711 ( -8.426 -1.306 -3.246) 9.124 6.995 ( 4.339 -10.047 2.241) 11.171 7.177 ( -4.628 0.148 6.701) 8.145 7.260 ( -0.559 4.240 -3.490) 5.520 7.648 ( -2.522 -2.935 8.262) 9.123 8.032 ( -5.333 0.848 8.294) 9.897 8.137 ( 3.347 -1.855 3.553) 5.222 8.821 ( 1.411 -3.205 3.927) 5.261 9.786 ( -4.988 -1.355 -11.124) 12.266 10.869 ( -6.341 -3.133 21.593) 22.721 10.998 ( 2.535 0.102 -27.691) 27.807 12.503 ( 2.308 -3.111 1.825) 4.282 12.607 ( -0.683 -0.856 12.729) 12.776 13.749 ( -13.197 -0.648 6.362) 14.665 15.196 ( -2.926 1.336 -4.360) 5.418 15.636 ( 36.913 -43.101 107.317) 121.397 17.989 ( -22.949 -12.794 -27.253) 37.856 18.331 ( 7.029 -1.826 -6.037) 9.444 19.021 ( 1.846 5.267 -5.438) 7.792 20.013 ( 8.271 5.173 -3.686) 10.429 23.508 ( 7.838 23.392 -7.302) 25.728 23.849 ( 2.814 5.831 -4.964) 8.158 ======================= Grid point 216 (95/251) ======================= q-point: (-0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -13.287 13.171 22.912) 29.580 1.991 ( -26.263 0.926 7.664) 27.374 2.461 ( -15.725 5.884 1.843) 16.890 2.894 ( -4.557 1.420 1.065) 4.891 3.127 ( -11.810 1.325 5.600) 13.137 3.329 ( -9.458 7.481 27.937) 30.428 3.389 ( 5.525 3.601 -4.762) 8.134 3.799 ( 2.742 -9.003 5.582) 10.942 4.052 ( 4.444 -1.146 3.847) 5.988 4.334 ( 2.762 12.047 0.456) 12.368 4.677 ( -1.634 -2.759 0.880) 3.325 5.821 ( 5.505 -4.317 2.479) 7.422 6.081 ( 0.753 0.535 -4.498) 4.592 6.274 ( -0.999 0.046 10.280) 10.329 6.658 ( 3.278 0.013 1.399) 3.564 7.075 ( -5.266 -0.562 0.069) 5.296 7.180 ( 2.310 -8.390 6.542) 10.887 7.208 ( -1.346 0.637 -1.711) 2.268 7.643 ( -4.096 -3.992 8.442) 10.197 7.922 ( -6.377 4.588 6.758) 10.362 8.174 ( -0.153 0.597 -0.258) 0.668 8.861 ( -0.724 -2.337 3.902) 4.606 9.685 ( -4.641 -1.624 -12.024) 12.990 10.843 ( -5.199 -2.119 25.110) 25.730 10.978 ( 2.496 0.331 -29.178) 29.287 12.562 ( 0.692 -2.790 1.644) 3.312 12.620 ( -1.389 -0.313 11.979) 12.063 13.559 ( -10.540 -0.993 6.622) 12.487 15.120 ( -2.875 0.590 -8.768) 9.246 17.173 ( 54.620 -69.214 95.126) 129.703 17.549 ( -33.768 -14.573 -37.904) 52.815 18.491 ( 10.473 0.133 -0.550) 10.488 18.989 ( 0.209 3.029 -4.660) 5.562 20.108 ( 10.114 8.519 -0.515) 13.234 23.374 ( 8.724 34.986 -8.051) 36.945 23.825 ( 2.065 6.071 -5.605) 8.517 ======================= Grid point 217 (96/251) ======================= q-point: (-0.10 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -31.949 -0.392 13.992) 34.881 1.474 ( -17.227 14.456 25.204) 33.778 2.112 ( -13.754 7.257 -1.675) 15.641 2.824 ( -2.758 0.732 15.387) 15.649 3.013 ( -3.159 1.666 9.178) 9.848 3.242 ( -4.466 1.405 28.396) 28.780 3.421 ( 3.479 3.367 -7.764) 9.149 3.949 ( 2.810 -6.966 3.117) 8.132 4.111 ( -1.008 -2.837 2.978) 4.234 4.314 ( 5.076 8.595 11.626) 15.324 4.698 ( 2.427 -1.484 -3.356) 4.400 5.951 ( 2.088 -6.187 2.014) 6.834 6.051 ( 1.458 3.863 -2.983) 5.094 6.254 ( -3.186 -0.325 6.018) 6.817 6.808 ( 10.474 0.070 10.529) 14.851 6.957 ( -6.827 0.615 -3.419) 7.660 7.165 ( -1.839 -0.133 -2.550) 3.147 7.331 ( 1.224 -10.201 8.267) 13.187 7.595 ( -7.787 -1.910 9.347) 12.315 7.766 ( -6.314 6.383 3.913) 9.794 8.143 ( -0.492 1.893 -2.428) 3.117 8.860 ( -1.904 -1.247 2.430) 3.329 9.623 ( -0.822 -1.411 -11.438) 11.554 10.836 ( -3.728 -0.864 27.124) 27.393 10.953 ( 2.520 0.277 -29.761) 29.869 12.576 ( -1.377 -1.268 0.425) 1.919 12.630 ( -0.496 -0.182 12.621) 12.632 13.448 ( -4.840 -0.967 6.398) 8.081 15.054 ( -1.812 0.178 -11.093) 11.242 16.894 ( -47.229 -12.147 -39.524) 62.771 18.523 ( 9.226 -9.502 1.028) 13.284 18.955 ( -0.730 1.371 -4.699) 4.949 19.178 ( 54.226 -69.527 46.933) 99.886 20.198 ( 13.391 16.085 2.747) 21.109 23.126 ( 4.267 40.032 -4.479) 40.507 23.790 ( 0.599 3.764 -6.518) 7.551 ======================= Grid point 219 (97/251) ======================= q-point: ( 0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 8.652 0.000 24.371) 25.861 2.023 ( 46.646 0.000 4.121) 46.828 2.419 ( 20.355 0.000 -2.073) 20.460 2.843 ( -8.697 -0.000 48.010) 48.791 2.967 ( 2.117 0.000 -1.810) 2.786 3.303 ( -5.199 -0.000 -8.585) 10.037 3.576 ( 9.477 0.000 4.420) 10.457 3.740 ( -10.537 -0.000 -4.257) 11.364 3.982 ( -3.314 -0.000 2.372) 4.075 4.520 ( 2.886 0.000 19.562) 19.774 4.812 ( -3.147 -0.000 -4.807) 5.746 5.812 ( -14.765 -0.000 4.357) 15.394 6.036 ( -8.684 -0.000 4.110) 9.607 6.416 ( 19.053 0.000 17.158) 25.640 6.884 ( 0.224 0.000 -2.973) 2.981 7.012 ( 1.760 0.000 -5.958) 6.213 7.099 ( -3.257 -0.000 7.947) 8.588 7.321 ( -0.156 -0.000 2.389) 2.394 7.349 ( 2.455 0.000 15.019) 15.218 7.732 ( 0.628 0.000 4.709) 4.751 8.259 ( 2.101 0.000 -7.418) 7.710 8.739 ( -1.926 -0.000 -2.034) 2.801 9.864 ( 9.463 0.000 -8.961) 13.033 10.881 ( -3.619 -0.000 27.973) 28.206 10.939 ( 4.690 0.000 -31.156) 31.507 12.481 ( -2.893 -0.000 0.472) 2.931 12.733 ( -1.329 -0.000 9.761) 9.851 13.727 ( 12.192 0.000 11.340) 16.651 14.033 ( -43.769 -0.000 58.856) 73.347 14.978 ( 2.087 0.000 -8.721) 8.967 18.556 ( -5.344 -0.000 -1.969) 5.695 18.781 ( -4.327 -0.000 -6.860) 8.111 20.030 ( -4.819 -0.000 -0.710) 4.871 20.412 ( -17.378 -0.000 -6.425) 18.528 22.988 ( 3.234 0.000 4.794) 5.783 23.706 ( 1.082 0.000 -7.935) 8.009 ======================= Grid point 220 (98/251) ======================= q-point: ( 0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 14.591 -5.565 18.751) 24.402 2.731 ( 23.252 2.511 -2.324) 23.502 2.750 ( 13.593 -2.219 16.234) 21.289 2.870 ( 7.821 -7.721 23.424) 25.874 2.992 ( 1.452 0.763 -1.235) 2.053 3.182 ( -7.267 -1.724 -7.952) 10.910 3.553 ( -8.040 0.578 -3.329) 8.722 3.773 ( 11.084 -4.299 0.555) 11.902 3.903 ( -4.587 3.519 4.254) 7.178 4.635 ( 5.470 -0.641 12.181) 13.368 4.734 ( -5.322 -0.021 5.689) 7.790 5.574 ( -11.978 1.261 3.033) 12.420 5.894 ( -8.328 -1.299 -0.648) 8.453 6.752 ( 11.869 5.972 15.167) 20.164 6.828 ( 0.838 -1.035 -0.783) 1.545 7.027 ( -2.305 6.050 3.667) 7.441 7.098 ( 5.173 -1.599 1.410) 5.595 7.357 ( 2.979 0.065 6.493) 7.144 7.423 ( 0.033 -4.047 9.486) 10.313 7.757 ( -1.075 -4.019 5.608) 6.983 8.234 ( -3.657 0.411 -3.502) 5.080 8.707 ( 0.913 2.828 -5.680) 6.411 9.978 ( 7.181 3.760 -8.201) 11.531 10.864 ( -5.581 -1.597 26.405) 27.036 10.959 ( 4.904 -0.776 -30.390) 30.793 12.424 ( -2.985 1.148 0.392) 3.222 12.681 ( -6.620 0.328 9.771) 11.807 13.630 ( -19.886 -0.266 76.009) 78.568 13.961 ( 10.970 0.522 10.789) 15.395 15.024 ( 5.293 0.438 -3.726) 6.488 18.425 ( -8.770 0.648 -1.762) 8.969 18.688 ( -5.142 -1.217 -7.311) 9.021 19.852 ( -4.454 18.770 -4.135) 19.730 20.118 ( -12.166 -1.285 -8.374) 14.825 23.143 ( 3.567 -14.374 2.628) 15.041 23.734 ( 3.835 -0.483 -7.860) 8.759 ======================= Grid point 221 (99/251) ======================= q-point: ( 0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 14.395 -2.166 13.788) 20.050 2.834 ( -2.759 -4.460 22.263) 22.872 2.869 ( -2.477 4.019 -0.025) 4.721 3.003 ( -1.477 -2.894 2.058) 3.846 3.070 ( -1.458 -4.662 -7.148) 8.658 3.255 ( 12.988 -1.078 0.911) 13.064 3.468 ( -1.610 0.794 -1.600) 2.405 3.806 ( -2.066 4.724 6.875) 8.594 4.089 ( 17.873 -9.023 -1.718) 20.095 4.629 ( -9.535 -4.276 8.340) 13.370 4.775 ( 7.210 3.838 9.062) 12.200 5.421 ( -4.210 1.426 2.386) 5.045 5.780 ( -5.924 -2.001 -2.498) 6.733 6.706 ( -1.969 3.505 -5.719) 6.991 6.918 ( -2.282 9.081 0.490) 9.376 7.004 ( 6.680 1.745 18.170) 19.438 7.229 ( 5.347 -2.782 3.974) 7.220 7.372 ( -2.605 1.548 7.136) 7.752 7.482 ( -0.643 -5.459 6.503) 8.515 7.810 ( -0.148 -7.819 8.419) 11.490 8.120 ( -7.028 2.911 3.799) 8.503 8.698 ( 3.556 4.338 -8.178) 9.917 10.001 ( 2.676 5.827 -6.691) 9.268 10.844 ( -6.406 -4.951 24.253) 25.568 10.986 ( 4.858 -0.768 -30.357) 30.753 12.372 ( -1.615 1.083 0.947) 2.163 12.584 ( -6.353 -0.452 13.426) 14.860 13.616 ( -5.482 -3.801 79.912) 80.189 14.105 ( 3.198 0.449 6.949) 7.663 15.138 ( 8.379 1.439 3.174) 9.075 18.253 ( -8.735 0.948 -3.006) 9.286 18.589 ( -7.272 -3.480 -8.216) 11.511 19.581 ( -3.417 20.129 -7.337) 21.696 19.977 ( -4.435 -1.987 -9.691) 10.842 23.342 ( 4.058 -13.108 0.339) 13.726 23.807 ( 6.660 1.131 -7.617) 10.181 ======================= Grid point 222 (100/251) ======================= q-point: ( 0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 10.067 3.999 9.979) 14.728 2.673 ( -11.482 3.082 1.412) 11.972 2.834 ( -2.286 3.537 -3.729) 5.625 3.012 ( -4.938 -7.672 11.324) 14.542 3.163 ( 3.614 -10.541 5.336) 12.355 3.388 ( -2.366 5.253 2.196) 6.166 3.427 ( 5.973 -1.582 -0.581) 6.206 3.777 ( -0.158 4.679 7.086) 8.493 4.440 ( 7.421 -6.070 -1.745) 9.745 4.516 ( -7.399 -8.117 11.061) 15.588 4.838 ( 5.084 7.811 -3.550) 9.973 5.411 ( 1.703 0.737 6.808) 7.056 5.739 ( 0.638 -2.071 -0.341) 2.193 6.644 ( -0.800 3.321 -2.673) 4.337 6.782 ( -3.457 8.300 -3.034) 9.489 7.054 ( -6.661 -0.545 11.312) 13.139 7.277 ( -0.562 -1.036 5.610) 5.732 7.350 ( -0.147 -0.160 1.987) 1.999 7.523 ( -0.434 -4.562 6.782) 8.185 7.920 ( 1.582 -5.965 11.308) 12.882 7.991 ( -6.088 1.327 10.850) 12.512 8.715 ( 4.567 3.930 -6.667) 8.986 9.953 ( -0.996 4.117 -6.359) 7.641 10.834 ( -6.907 -6.530 22.364) 24.300 11.006 ( 4.454 -0.206 -30.541) 30.864 12.359 ( 0.442 -0.145 1.141) 1.232 12.541 ( -3.214 -1.298 14.509) 14.917 13.817 ( 0.782 -9.043 84.157) 84.645 14.096 ( -4.919 -0.207 5.418) 7.321 15.262 ( 5.542 2.340 6.025) 8.514 18.130 ( -2.790 0.674 -4.307) 5.176 18.443 ( -12.495 -5.685 -11.231) 17.736 19.362 ( -1.075 15.264 -8.574) 17.541 19.943 ( 1.570 0.094 -8.861) 8.999 23.516 ( 5.295 -7.567 -1.646) 9.381 23.903 ( 9.064 4.586 -7.547) 12.655 ======================= Grid point 223 (101/251) ======================= q-point: (-0.50 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 2.783 11.540 8.501) 14.601 2.475 ( -9.727 -1.557 1.265) 9.932 2.730 ( -3.567 3.587 -1.855) 5.388 3.009 ( -4.260 -4.445 7.506) 9.708 3.300 ( 1.381 4.898 -3.611) 6.240 3.329 ( -1.429 -8.570 16.727) 18.849 3.579 ( 7.693 -4.496 -1.091) 8.977 3.699 ( -5.228 4.386 6.628) 9.513 4.338 ( -11.149 -1.766 4.175) 12.036 4.609 ( -2.295 -0.458 8.739) 9.047 4.811 ( 3.170 8.747 -10.975) 14.388 5.458 ( 1.608 -2.999 5.787) 6.713 5.857 ( 9.373 -0.748 7.585) 12.081 6.544 ( -4.573 9.812 -0.418) 10.833 6.711 ( 0.681 -2.605 -4.921) 5.610 6.884 ( -11.537 -0.392 3.296) 12.005 7.260 ( -3.753 2.189 7.944) 9.054 7.357 ( -0.960 -2.337 -1.081) 2.748 7.582 ( -0.272 -4.719 4.688) 6.658 7.926 ( -2.099 -1.363 11.136) 11.414 8.029 ( 0.023 -5.828 12.946) 14.197 8.752 ( 3.982 2.292 -2.219) 5.102 9.872 ( -3.764 1.252 -7.696) 8.658 10.818 ( -6.950 -5.854 21.937) 23.744 11.010 ( 3.694 0.246 -30.225) 30.451 12.391 ( 1.797 -1.662 0.991) 2.641 12.550 ( -1.255 -1.805 14.226) 14.394 13.935 ( -11.231 -1.024 10.800) 15.615 14.227 ( 6.397 -19.169 87.151) 89.463 15.291 ( -0.677 2.419 2.338) 3.432 18.115 ( -2.677 -0.447 -6.637) 7.171 18.228 ( -10.031 -5.879 -13.164) 17.563 19.225 ( 0.422 10.500 -7.656) 13.002 19.984 ( 5.863 1.604 -6.766) 9.096 23.652 ( 6.383 -1.253 -3.758) 7.513 23.998 ( 11.053 9.448 -8.010) 16.601 ======================= Grid point 224 (102/251) ======================= q-point: (-0.40 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -3.406 14.430 12.149) 19.168 2.304 ( -13.275 1.418 1.632) 13.450 2.678 ( -0.608 1.988 1.284) 2.443 2.976 ( -3.966 -1.064 4.535) 6.118 3.303 ( -5.412 -4.793 14.183) 15.919 3.326 ( -0.153 4.878 -0.736) 4.935 3.587 ( -3.818 0.907 4.927) 6.299 3.752 ( 4.485 -4.140 -0.578) 6.131 4.123 ( -10.558 7.825 4.871) 14.015 4.521 ( -7.090 1.357 17.116) 18.576 4.753 ( 2.383 8.714 -12.316) 15.274 5.565 ( 4.296 -6.511 3.271) 8.458 6.046 ( 8.342 1.192 12.451) 15.035 6.368 ( -4.786 7.445 -1.933) 9.059 6.688 ( -5.826 -1.317 -3.638) 6.993 6.834 ( 2.815 -6.646 0.287) 7.224 7.181 ( -5.230 0.284 6.631) 8.450 7.323 ( -2.996 1.452 -1.657) 3.719 7.591 ( -3.769 -3.606 5.192) 7.360 7.947 ( -4.071 -6.907 8.480) 11.670 8.113 ( 2.734 -2.660 8.833) 9.621 8.795 ( 2.298 0.457 2.125) 3.163 9.765 ( -6.050 -0.840 -9.517) 11.309 10.800 ( -5.856 -4.266 22.986) 24.101 11.000 ( 3.032 0.278 -29.588) 29.744 12.447 ( 1.849 -2.857 0.894) 3.518 12.581 ( -0.909 -1.852 13.464) 13.621 13.735 ( -13.959 -0.896 7.767) 15.999 14.849 ( 11.218 -39.549 97.884) 106.166 15.226 ( -3.651 1.757 -3.699) 5.487 17.844 ( -20.156 -4.160 -18.512) 27.682 18.308 ( 9.508 -1.026 -2.927) 10.001 19.137 ( -0.027 7.068 -6.339) 9.494 20.079 ( 8.381 2.480 -4.405) 9.787 23.740 ( 6.454 4.271 -6.071) 9.836 24.075 ( 13.190 15.562 -9.597) 22.544 ======================= Grid point 225 (103/251) ======================= q-point: (-0.30 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -19.410 11.515 6.037) 23.362 2.063 ( -7.803 10.935 14.561) 19.811 2.597 ( -5.772 8.363 3.539) 10.760 2.913 ( -4.473 0.499 1.726) 4.820 3.134 ( -10.977 -0.250 9.296) 14.387 3.429 ( 8.063 0.722 -1.423) 8.219 3.496 ( -6.259 6.800 9.688) 13.389 3.730 ( -3.576 3.650 12.381) 13.394 4.031 ( 1.653 -1.429 3.414) 4.053 4.457 ( -4.627 -0.799 17.295) 17.921 4.698 ( 3.613 7.943 -12.246) 15.037 5.719 ( 4.939 -6.424 3.972) 9.025 6.107 ( -0.462 2.440 -0.762) 2.598 6.286 ( -1.513 1.580 8.048) 8.340 6.662 ( 4.260 0.315 -0.617) 4.316 6.959 ( 1.105 -9.562 1.687) 9.773 7.110 ( -4.432 -0.382 6.601) 7.960 7.235 ( -4.540 1.228 -2.931) 5.541 7.565 ( -4.475 -4.678 4.743) 8.025 7.925 ( -5.595 -3.595 6.297) 9.158 8.186 ( 1.733 -0.425 3.378) 3.821 8.827 ( 0.234 -0.718 4.652) 4.712 9.648 ( -6.130 -2.397 -10.866) 12.704 10.797 ( -4.210 -2.777 24.803) 25.311 10.982 ( 2.624 0.266 -29.093) 29.213 12.503 ( 0.861 -3.457 0.556) 3.606 12.604 ( -1.292 -1.274 12.830) 12.958 13.534 ( -11.677 -1.628 7.936) 14.212 15.135 ( -3.342 0.938 -8.671) 9.340 15.733 ( 4.556 -72.216 87.465) 113.517 17.519 ( -10.874 1.213 -9.599) 14.555 18.482 ( 9.342 -0.877 -0.925) 9.428 19.063 ( -0.744 4.839 -5.313) 7.225 20.201 ( 9.051 2.746 -2.217) 9.715 23.768 ( 5.206 8.240 -8.449) 12.899 24.122 ( 14.962 23.134 -13.302) 30.594 ======================= Grid point 226 (104/251) ======================= q-point: (-0.20 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -29.634 9.381 9.376) 32.467 1.833 ( -5.457 23.006 20.370) 31.209 2.334 ( -10.083 15.490 -0.576) 18.492 2.843 ( -2.485 1.104 9.103) 9.500 3.049 ( -1.293 1.228 5.438) 5.723 3.318 ( -7.370 7.517 29.122) 30.966 3.528 ( 6.085 7.713 -10.199) 14.161 3.782 ( 2.439 -9.152 12.979) 16.067 4.071 ( -1.130 -2.371 2.143) 3.390 4.436 ( -2.409 1.100 18.138) 18.330 4.697 ( 5.957 4.251 -11.369) 13.521 5.833 ( 0.213 -6.024 2.746) 6.623 6.102 ( 4.195 1.730 -1.671) 4.835 6.248 ( -3.946 -0.166 5.782) 7.003 6.809 ( 10.127 -0.178 8.938) 13.508 6.962 ( -6.734 -1.467 -2.559) 7.352 7.115 ( -2.910 -9.572 10.205) 14.291 7.158 ( -2.707 -1.089 -3.045) 4.217 7.538 ( -4.825 -4.300 3.290) 7.252 7.855 ( -4.561 1.909 4.385) 6.609 8.193 ( 0.465 2.404 -0.549) 2.509 8.831 ( -1.935 -1.100 4.724) 5.222 9.574 ( -2.236 -3.779 -10.982) 11.827 10.811 ( -2.898 -1.629 26.446) 26.654 10.961 ( 2.639 0.502 -28.972) 29.096 12.534 ( -0.988 -3.151 0.115) 3.305 12.623 ( -0.423 -0.570 12.674) 12.694 13.415 ( -5.831 -2.443 7.554) 9.851 15.060 ( -2.022 0.460 -11.096) 11.288 16.220 ( -45.230 -64.804 10.521) 79.725 17.827 ( 32.637 -32.805 48.297) 66.888 18.641 ( 7.550 -3.923 3.547) 9.218 19.001 ( -0.765 3.471 -4.917) 6.067 20.325 ( 7.934 2.014 -0.464) 8.199 23.732 ( 3.762 12.474 -11.424) 17.328 24.082 ( 11.393 31.023 -18.185) 37.721 ======================= Grid point 227 (105/251) ======================= q-point: (-0.10 0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -6.774 12.368 17.661) 22.600 1.558 ( -5.911 24.592 24.466) 35.189 2.093 ( 1.153 14.209 -2.841) 14.536 2.853 ( 0.486 0.660 17.355) 17.374 3.019 ( -2.924 4.929 15.304) 16.342 3.270 ( 0.249 0.485 22.619) 22.625 3.496 ( 1.691 7.485 -9.911) 12.535 3.933 ( 1.801 -7.428 6.484) 10.023 4.035 ( -5.526 -2.240 0.496) 5.983 4.432 ( -1.362 1.916 22.144) 22.269 4.771 ( 7.276 0.763 -11.401) 13.546 5.889 ( 1.060 -6.592 2.612) 7.170 6.153 ( -2.602 0.863 6.277) 6.849 6.207 ( 1.601 2.495 5.112) 5.909 6.841 ( -5.199 -0.718 -6.168) 8.099 7.007 ( 8.646 -0.153 12.221) 14.971 7.108 ( -3.095 -2.850 -2.070) 4.689 7.182 ( -5.684 -12.317 9.949) 16.822 7.479 ( -5.496 -0.800 2.707) 6.178 7.766 ( -1.473 6.639 4.130) 7.956 8.185 ( 2.665 3.138 -3.792) 5.597 8.808 ( -3.095 -1.941 2.745) 4.569 9.600 ( 3.609 -3.962 -10.047) 11.387 10.838 ( -2.105 -0.823 26.917) 27.012 10.942 ( 3.206 0.773 -28.888) 29.076 12.533 ( -1.832 -2.231 0.784) 2.991 12.658 ( 0.850 -0.260 11.953) 11.986 13.412 ( 0.928 -2.469 7.782) 8.217 15.008 ( -0.762 0.159 -11.775) 11.801 15.677 ( -60.118 -29.816 -0.903) 67.112 18.567 ( 5.399 -8.958 0.553) 10.474 18.924 ( -2.288 -2.007 -2.194) 3.752 19.243 ( 22.246 -60.700 33.288) 72.715 20.440 ( 5.199 -3.232 0.201) 6.124 23.573 ( 1.754 33.576 -17.393) 37.855 23.870 ( -0.774 21.060 -12.011) 24.257 ======================= Grid point 230 (106/251) ======================= q-point: ( 0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 18.963 0.000 15.377) 24.414 2.759 ( -5.773 -0.000 36.411) 36.866 2.927 ( 1.871 0.000 -7.883) 8.102 3.003 ( 1.033 0.000 -3.276) 3.435 3.006 ( -8.202 -0.000 -7.191) 10.908 3.250 ( 16.613 0.000 -1.900) 16.722 3.487 ( 1.390 0.000 0.013) 1.390 3.857 ( -2.851 -0.000 4.514) 5.339 3.989 ( 16.555 0.000 -2.468) 16.738 4.583 ( -10.094 -0.000 12.465) 16.040 4.811 ( 7.248 0.000 11.756) 13.811 5.444 ( -3.112 -0.000 0.258) 3.123 5.749 ( -6.790 -0.000 -4.363) 8.071 6.739 ( -2.589 -0.000 -7.763) 8.183 6.994 ( -0.781 -0.000 15.234) 15.254 7.090 ( -0.648 -0.000 -3.815) 3.870 7.146 ( 7.212 0.000 15.068) 16.704 7.399 ( -1.728 -0.000 10.010) 10.158 7.429 ( 2.581 0.000 8.469) 8.853 7.721 ( -1.690 -0.000 4.451) 4.761 8.150 ( -5.717 -0.000 2.426) 6.210 8.740 ( 3.101 0.000 -9.018) 9.537 10.065 ( 2.472 0.000 -8.587) 8.936 10.790 ( -8.043 -0.000 27.752) 28.894 10.979 ( 5.417 0.000 -31.458) 31.921 12.383 ( -2.119 -0.000 0.107) 2.122 12.578 ( -7.162 -0.000 14.803) 16.445 13.580 ( -6.633 -0.000 78.674) 78.953 14.109 ( 2.899 0.000 6.664) 7.267 15.152 ( 8.596 0.000 3.709) 9.363 18.261 ( -8.996 -0.000 -2.932) 9.461 18.556 ( -7.688 -0.000 -8.170) 11.219 19.841 ( -12.489 -0.000 -11.522) 16.992 19.902 ( 0.202 0.000 -7.568) 7.570 23.204 ( 8.350 0.000 3.570) 9.081 23.818 ( 7.897 0.000 -8.163) 11.357 ======================= Grid point 231 (107/251) ======================= q-point: ( 0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 16.142 4.261 12.245) 20.704 2.721 ( -11.879 1.996 1.747) 12.171 2.799 ( -4.701 -8.367 19.378) 21.625 2.936 ( -1.588 3.879 -4.420) 6.091 3.041 ( 2.798 -4.928 -5.981) 8.240 3.413 ( 5.055 -0.120 -2.206) 5.517 3.496 ( -0.883 4.718 2.279) 5.313 3.863 ( 3.753 3.683 5.705) 7.758 4.281 ( 11.732 -7.361 -4.123) 14.451 4.415 ( -14.313 -3.165 21.226) 25.796 4.937 ( 6.386 2.677 -0.017) 6.924 5.471 ( 6.030 4.654 3.753) 8.492 5.664 ( -2.509 -4.970 -4.318) 7.046 6.689 ( -0.755 1.624 -5.255) 5.552 6.927 ( -4.440 6.299 2.979) 8.263 7.048 ( -5.569 -0.273 4.371) 7.085 7.167 ( -6.981 -7.004 3.713) 10.563 7.419 ( -1.214 5.793 11.695) 13.107 7.494 ( 3.934 -0.086 13.015) 13.597 7.755 ( 0.113 -8.266 7.953) 11.471 8.057 ( -4.592 2.673 7.276) 9.010 8.772 ( 3.737 1.826 -8.996) 9.911 10.024 ( -3.129 2.732 -8.156) 9.153 10.732 ( -7.038 -3.561 25.792) 26.971 11.004 ( 5.073 -0.036 -31.020) 31.432 12.359 ( -0.510 0.029 0.206) 0.551 12.519 ( -3.982 -0.776 16.551) 17.041 13.701 ( -1.838 -3.310 81.634) 81.722 14.093 ( -5.577 -0.080 4.190) 6.976 15.293 ( 5.473 0.920 6.939) 8.886 18.138 ( -3.171 0.242 -4.420) 5.445 18.375 ( -12.304 -1.841 -9.864) 15.877 19.590 ( -7.556 7.933 -11.435) 15.836 19.930 ( 3.435 -1.103 -8.107) 8.874 23.397 ( 10.029 -4.111 1.540) 10.948 23.961 ( 11.237 1.637 -8.613) 14.252 ======================= Grid point 232 (108/251) ======================= q-point: (-0.60 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -11.559 0.922 1.049) 11.643 2.536 ( 7.810 8.494 6.793) 13.390 2.833 ( -2.182 8.347 -3.893) 9.465 2.879 ( -3.422 -9.479 17.319) 20.038 3.197 ( 8.435 -7.458 -1.912) 11.421 3.393 ( -3.370 4.887 3.060) 6.678 3.500 ( 3.878 -2.599 -2.589) 5.339 3.843 ( -2.805 10.558 8.920) 14.104 4.249 ( -11.730 -6.590 15.405) 20.453 4.496 ( 1.723 -9.562 4.103) 10.547 4.978 ( 4.812 6.899 -9.820) 12.930 5.474 ( 0.067 4.587 2.167) 5.074 5.803 ( 10.030 -5.072 7.266) 13.384 6.657 ( -0.211 2.813 -1.024) 3.001 6.771 ( -5.915 7.467 -2.560) 9.863 6.886 ( -10.394 0.903 3.380) 10.967 7.187 ( -4.244 -13.143 -1.230) 13.866 7.328 ( -4.168 5.008 9.411) 11.446 7.554 ( 0.206 1.074 10.334) 10.391 7.845 ( -4.336 -9.447 12.835) 16.516 8.002 ( 1.151 3.581 8.351) 9.159 8.798 ( 3.246 2.181 -5.758) 6.961 9.898 ( -6.667 1.260 -8.100) 10.566 10.718 ( -5.201 -4.389 23.555) 24.519 11.016 ( 4.062 0.302 -30.397) 30.669 12.367 ( 0.882 -0.939 0.096) 1.292 12.518 ( -1.715 -1.491 15.894) 16.056 13.894 ( -5.984 -4.678 57.364) 57.864 13.984 ( -6.246 -6.040 34.759) 35.829 15.328 ( -1.286 1.554 3.218) 3.798 18.103 ( -12.456 -0.822 -10.161) 16.096 18.163 ( 1.178 -1.743 -6.267) 6.611 19.397 ( -4.051 7.526 -9.694) 12.923 20.004 ( 6.576 0.601 -6.698) 9.406 23.608 ( 10.304 -2.569 -1.220) 10.689 24.129 ( 13.468 4.690 -9.512) 17.143 ======================= Grid point 233 (109/251) ======================= q-point: (-0.50 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -10.990 -0.400 2.172) 11.210 2.562 ( 2.751 16.646 7.270) 18.372 2.714 ( -2.001 2.456 1.209) 3.391 2.932 ( -1.135 -4.107 8.294) 9.325 3.269 ( -5.219 2.718 13.352) 14.591 3.400 ( 5.959 0.227 -7.297) 9.424 3.597 ( -3.185 -4.444 -0.463) 5.487 3.680 ( -0.400 2.702 9.226) 9.621 4.168 ( -6.372 -1.076 7.431) 9.848 4.518 ( -8.066 -2.706 17.957) 19.870 4.945 ( 4.059 10.413 -14.470) 18.284 5.482 ( 2.874 -1.609 2.865) 4.366 6.036 ( 8.622 -2.472 14.337) 16.911 6.534 ( -6.871 9.845 -1.647) 12.118 6.665 ( -2.124 -0.355 -3.013) 3.704 6.774 ( -0.937 -0.402 -0.946) 1.391 7.161 ( -7.859 -5.286 2.461) 9.786 7.288 ( -2.194 -2.667 3.345) 4.808 7.534 ( -4.733 -1.744 7.648) 9.162 7.836 ( -5.817 -6.271 10.978) 13.917 8.065 ( 3.876 -0.822 7.348) 8.348 8.819 ( 2.025 1.581 -1.259) 2.861 9.747 ( -8.582 -1.409 -8.737) 12.328 10.728 ( -3.456 -3.138 22.844) 23.316 11.008 ( 3.082 0.506 -29.525) 29.690 12.401 ( 1.289 -2.124 -0.293) 2.502 12.546 ( -0.847 -1.749 14.911) 15.037 13.721 ( -14.523 -0.371 9.671) 17.452 14.268 ( -1.963 -23.902 89.038) 92.212 15.257 ( -4.509 1.497 -3.309) 5.790 17.803 ( -16.540 -0.958 -12.863) 20.975 18.292 ( 9.839 -0.694 -2.532) 10.184 19.261 ( -2.690 6.097 -7.719) 10.198 20.112 ( 8.161 1.279 -4.867) 9.587 23.779 ( 8.992 1.057 -4.045) 9.917 24.295 ( 14.952 8.159 -11.363) 20.476 ======================= Grid point 234 (110/251) ======================= q-point: (-0.40 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -15.233 4.072 5.642) 16.747 2.384 ( -1.536 19.433 8.065) 21.096 2.714 ( 0.246 3.000 3.875) 4.906 2.935 ( -1.441 2.569 5.158) 5.940 3.136 ( -9.983 1.589 12.598) 16.152 3.429 ( 1.848 0.268 4.498) 4.870 3.545 ( -0.126 -0.866 -2.489) 2.638 3.811 ( 5.050 -1.375 2.724) 5.901 4.040 ( -6.713 5.241 6.027) 10.434 4.417 ( -8.967 -1.072 28.983) 30.358 4.888 ( 4.658 10.873 -15.526) 19.518 5.609 ( 6.272 -5.040 4.364) 9.153 6.151 ( -0.411 1.200 8.272) 8.369 6.348 ( -4.516 5.779 1.270) 7.443 6.658 ( 2.645 -1.069 -1.644) 3.293 6.826 ( 2.537 -4.080 0.582) 4.839 7.084 ( -6.015 -3.717 3.467) 7.875 7.244 ( -4.951 0.107 0.785) 5.014 7.477 ( -6.039 -4.692 4.777) 9.017 7.828 ( -4.473 -6.579 8.362) 11.542 8.154 ( 3.008 -1.954 3.877) 5.282 8.833 ( 0.687 0.853 2.528) 2.755 9.597 ( -8.582 -3.301 -9.472) 13.201 10.753 ( -2.062 -1.664 23.258) 23.408 10.989 ( 2.665 0.465 -28.359) 28.488 12.442 ( 0.614 -3.069 -0.620) 3.191 12.579 ( -0.693 -1.378 14.003) 14.088 13.506 ( -12.846 -1.302 9.675) 16.135 14.680 ( -9.436 -43.467 86.977) 97.691 15.155 ( -4.020 0.974 -8.087) 9.083 17.546 ( -8.466 1.493 -6.108) 10.546 18.465 ( 9.060 -0.871 -1.240) 9.186 19.154 ( -2.148 4.854 -6.225) 8.181 20.233 ( 7.829 1.107 -3.289) 8.564 23.873 ( 5.963 4.604 -6.386) 9.876 24.443 ( 15.485 11.542 -15.153) 24.548 ======================= Grid point 235 (111/251) ======================= q-point: (-0.30 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -20.831 14.489 9.828) 27.211 2.243 ( 1.753 20.832 13.445) 24.857 2.607 ( -5.237 12.148 2.182) 13.408 2.878 ( -1.414 4.480 5.872) 7.520 3.047 ( -1.283 -1.051 6.579) 6.785 3.453 ( -4.249 2.836 9.555) 10.835 3.598 ( 7.250 -2.573 2.947) 8.238 3.766 ( -2.177 12.105 10.708) 16.308 4.002 ( -1.356 -5.648 0.641) 5.844 4.377 ( -5.890 -4.067 28.510) 29.395 4.848 ( 5.705 9.971 -14.820) 18.751 5.751 ( 2.713 -2.902 5.558) 6.832 6.125 ( 2.765 1.223 -1.602) 3.422 6.254 ( -5.249 0.944 4.846) 7.206 6.758 ( 1.727 -6.832 6.099) 9.319 6.895 ( 1.937 -1.754 2.823) 3.847 7.035 ( -4.201 -3.017 2.965) 5.962 7.145 ( -4.749 0.701 -0.780) 4.863 7.445 ( -3.951 -5.661 2.056) 7.203 7.832 ( -2.513 -4.207 5.863) 7.641 8.205 ( 0.991 -0.591 0.311) 1.195 8.833 ( -1.106 0.883 4.907) 5.107 9.492 ( -4.728 -5.121 -9.963) 12.159 10.786 ( -1.321 -0.812 23.613) 23.664 10.972 ( 2.887 0.668 -26.831) 26.994 12.470 ( -0.836 -3.560 -0.330) 3.672 12.611 ( -0.023 -0.752 12.916) 12.938 13.367 ( -7.203 -2.632 9.493) 12.204 15.006 ( -26.965 -54.307 59.864) 85.206 15.074 ( -4.345 -2.926 -4.972) 7.222 17.560 ( 10.424 -4.897 16.007) 19.720 18.600 ( 5.398 -1.484 -0.411) 5.613 19.072 ( -1.187 4.098 -5.339) 6.835 20.339 ( 5.477 0.143 -2.165) 5.891 23.877 ( 2.416 6.655 -7.944) 10.641 24.527 ( 11.888 15.861 -21.322) 29.112 ======================= Grid point 236 (112/251) ======================= q-point: (-0.20 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -2.457 20.144 16.020) 25.855 2.054 ( -2.648 27.346 16.065) 31.826 2.409 ( 1.539 18.606 -2.790) 18.877 2.863 ( 0.684 0.713 7.853) 7.915 3.102 ( 4.132 2.003 8.048) 9.266 3.331 ( -5.540 7.202 23.915) 25.583 3.661 ( 0.459 9.730 -4.636) 10.787 3.777 ( 3.580 -8.340 9.969) 13.481 3.991 ( -4.770 -3.095 -0.015) 5.686 4.397 ( -3.676 -4.699 26.391) 27.057 4.845 ( 6.174 6.854 -13.674) 16.495 5.793 ( 0.432 -3.074 5.094) 5.965 6.149 ( -7.078 -0.751 4.305) 8.318 6.248 ( 8.420 1.218 4.215) 9.495 6.762 ( -8.987 -8.953 0.843) 12.713 6.987 ( 1.084 -2.333 4.366) 5.067 7.014 ( 2.417 -1.307 7.409) 7.902 7.090 ( -2.752 -2.186 -0.748) 3.594 7.441 ( -1.796 -2.928 1.482) 3.741 7.838 ( -0.355 0.517 4.511) 4.554 8.218 ( 1.371 0.191 -3.018) 3.320 8.792 ( -3.786 0.689 4.925) 6.250 9.502 ( 2.235 -6.444 -9.472) 11.672 10.823 ( -0.991 -0.620 21.932) 21.963 10.962 ( 3.463 1.359 -24.221) 24.505 12.478 ( -1.866 -3.498 0.543) 4.002 12.651 ( 0.858 -0.541 11.717) 11.761 13.354 ( 0.181 -3.596 9.619) 10.271 14.936 ( -45.986 -45.221 40.824) 76.330 15.013 ( -1.774 -0.353 -10.403) 10.559 18.077 ( 20.715 -29.436 30.544) 47.207 18.684 ( 1.453 -5.019 2.996) 6.023 19.020 ( 0.898 3.334 -4.758) 5.879 20.402 ( 1.263 -1.556 -1.723) 2.643 23.812 ( -0.179 7.080 -9.073) 11.510 24.416 ( 0.469 23.954 -25.660) 35.106 ======================= Grid point 237 (113/251) ======================= q-point: (-0.10 0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 27.695 13.235 14.219) 33.828 1.794 ( 1.993 27.771 15.648) 31.938 2.355 ( 11.461 16.365 -2.507) 20.136 2.903 ( 1.109 -0.491 10.389) 10.459 3.077 ( -3.736 11.568 26.293) 28.967 3.337 ( 2.834 -1.282 10.490) 10.941 3.572 ( 1.109 8.038 -6.838) 10.611 3.876 ( -5.265 -6.813 5.155) 10.035 3.915 ( -3.261 -1.784 0.241) 3.724 4.443 ( -1.395 -3.079 24.230) 24.464 4.856 ( 2.880 3.195 -12.971) 13.666 5.885 ( 0.012 -6.742 10.093) 12.138 6.039 ( -5.481 -1.694 5.546) 7.979 6.318 ( 1.140 5.898 6.940) 9.179 6.753 ( 1.812 -7.243 -2.003) 7.730 6.975 ( -4.526 -6.395 1.196) 7.926 7.054 ( -3.438 -2.747 -1.615) 4.688 7.152 ( 5.453 -1.468 11.920) 13.190 7.440 ( 0.641 1.964 2.833) 3.506 7.826 ( 0.498 4.598 5.561) 7.233 8.248 ( 3.371 0.584 -6.405) 7.262 8.728 ( -4.756 -2.064 3.038) 6.009 9.628 ( 7.261 -6.297 -8.584) 12.887 10.858 ( -0.642 -0.580 17.856) 17.877 10.960 ( 3.638 2.070 -20.634) 21.054 12.474 ( -2.344 -3.234 0.973) 4.111 12.697 ( 0.790 -0.684 10.792) 10.842 13.477 ( 7.415 -3.422 10.958) 13.666 14.495 ( -48.796 -23.796 44.809) 70.392 14.979 ( 0.193 -0.017 -11.093) 11.095 18.555 ( 2.373 -8.183 -0.053) 8.520 18.812 ( -2.628 -13.011 5.713) 14.451 19.165 ( 10.547 -27.726 12.267) 32.100 20.397 ( -4.206 -3.782 -2.412) 6.150 23.703 ( -1.936 10.523 -11.300) 15.562 24.007 ( -9.729 30.341 -17.285) 36.249 ======================= Grid point 241 (114/251) ======================= q-point: ( 0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.484 ( -13.829 -0.000 -2.927) 14.135 2.646 ( 9.468 0.000 7.940) 12.357 2.739 ( -3.301 -0.000 24.739) 24.959 3.014 ( 0.926 0.000 -3.899) 4.008 3.030 ( 9.421 0.000 -9.030) 13.049 3.454 ( 1.381 0.000 -3.400) 3.669 3.475 ( -3.976 -0.000 4.089) 5.704 4.014 ( 7.660 0.000 5.556) 9.463 4.132 ( -18.815 -0.000 20.695) 27.970 4.379 ( 1.988 0.000 5.993) 6.314 5.039 ( 4.967 0.000 -7.746) 9.202 5.556 ( -2.661 -0.000 -6.535) 7.056 5.722 ( 13.367 0.000 11.475) 17.617 6.689 ( 0.465 0.000 -2.032) 2.085 6.847 ( -9.544 -0.000 4.891) 10.724 6.969 ( -3.936 -0.000 -8.222) 9.116 6.974 ( -8.041 -0.000 5.520) 9.753 7.394 ( -5.654 -0.000 8.559) 10.258 7.584 ( -2.001 -0.000 19.958) 20.058 7.715 ( -1.128 -0.000 6.376) 6.475 8.044 ( 0.048 0.000 7.209) 7.209 8.819 ( 2.819 0.000 -7.051) 7.593 9.910 ( -8.651 -0.000 -8.815) 12.351 10.676 ( -3.818 -0.000 24.545) 24.841 11.019 ( 4.178 0.000 -30.310) 30.597 12.358 ( 0.493 0.000 -0.336) 0.597 12.503 ( -1.813 -0.000 16.827) 16.924 13.831 ( -2.714 -0.000 85.126) 85.169 13.948 ( -11.656 -0.000 4.817) 12.612 15.343 ( -1.529 -0.000 3.564) 3.878 18.094 ( -16.031 -0.000 -11.289) 19.607 18.149 ( 5.323 0.000 -4.103) 6.721 19.470 ( -6.350 -0.000 -10.762) 12.496 20.009 ( 7.064 0.000 -6.573) 9.649 23.582 ( 12.290 0.000 -0.204) 12.292 24.170 ( 13.888 0.000 -9.825) 17.012 ======================= Grid point 242 (115/251) ======================= q-point: (-0.60 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -10.460 0.111 1.386) 10.552 2.708 ( 0.934 3.031 12.574) 12.968 2.792 ( -1.252 -3.108 11.347) 11.832 2.949 ( 3.143 12.067 -2.709) 12.761 3.273 ( 8.841 -10.964 -7.009) 15.732 3.378 ( -3.313 6.906 4.442) 8.854 3.496 ( 0.433 -5.374 -2.185) 5.818 3.803 ( -16.536 6.132 17.671) 24.966 4.153 ( 3.742 0.248 8.376) 9.177 4.421 ( -3.274 -5.862 15.927) 17.284 5.075 ( 3.718 3.449 -13.259) 14.195 5.508 ( 0.980 2.795 -3.409) 4.516 5.973 ( 8.732 -3.228 16.525) 18.967 6.673 ( -2.593 3.475 1.561) 4.608 6.697 ( -4.916 3.233 -2.048) 6.230 6.807 ( -3.260 4.922 -1.496) 6.090 6.973 ( -5.645 -11.817 -2.578) 13.347 7.305 ( -4.185 2.321 8.117) 9.423 7.519 ( -8.354 -0.478 15.028) 17.200 7.716 ( -4.446 -5.118 8.390) 10.786 8.085 ( 3.503 1.547 4.637) 6.014 8.841 ( 1.465 0.668 -3.680) 4.017 9.719 ( -11.052 -1.198 -8.564) 14.033 10.693 ( -1.037 -0.820 22.785) 22.824 11.015 ( 3.025 0.202 -29.415) 29.571 12.374 ( 0.926 -0.821 -0.852) 1.503 12.523 ( -0.667 -0.730 15.993) 16.024 13.725 ( -14.535 0.638 8.465) 16.833 13.975 ( -6.992 -8.399 86.334) 87.023 15.276 ( -5.054 0.583 -3.020) 5.916 17.795 ( -14.897 -0.132 -10.577) 18.270 18.283 ( 9.876 -0.251 -2.537) 10.200 19.342 ( -4.685 2.422 -8.711) 10.183 20.127 ( 8.035 0.424 -5.123) 9.538 23.790 ( 11.598 0.250 -3.123) 12.013 24.384 ( 14.333 2.191 -11.378) 18.431 ======================= Grid point 243 (116/251) ======================= q-point: (-0.50 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( -7.337 2.517 6.425) 10.072 2.655 ( -7.553 5.353 7.307) 11.793 2.770 ( 3.528 7.772 8.088) 11.759 2.973 ( 4.899 2.502 5.023) 7.449 3.226 ( -8.267 6.917 8.132) 13.502 3.427 ( -2.391 -3.333 0.535) 4.136 3.480 ( -2.293 -3.184 1.336) 4.145 3.698 ( 2.199 -7.717 3.423) 8.724 4.184 ( 2.438 8.473 5.044) 10.158 4.412 ( -7.283 -0.899 29.376) 30.278 5.054 ( 3.242 6.585 -16.210) 17.794 5.558 ( 6.746 -0.289 1.715) 6.967 6.124 ( 0.745 -3.601 14.792) 15.242 6.489 ( -7.595 8.885 -2.068) 11.871 6.644 ( -1.536 0.314 -0.716) 1.723 6.802 ( 4.210 0.304 -0.127) 4.223 6.957 ( -6.376 -9.200 -2.073) 11.384 7.259 ( -2.005 1.520 7.030) 7.467 7.404 ( -9.176 -3.340 10.093) 14.044 7.702 ( -4.412 -6.300 8.145) 11.203 8.144 ( 3.631 0.731 1.535) 4.009 8.846 ( 0.294 0.417 -0.472) 0.695 9.531 ( -10.524 -3.439 -8.408) 13.902 10.741 ( 0.332 0.175 21.942) 21.945 10.996 ( 2.455 0.226 -28.070) 28.178 12.398 ( 0.609 -1.711 -1.205) 2.179 12.557 ( -0.242 -0.977 14.898) 14.932 13.494 ( -13.374 0.056 9.959) 16.675 14.113 ( -13.907 -20.039 85.091) 88.518 15.171 ( -4.558 0.646 -8.229) 9.430 17.568 ( -7.845 0.918 -5.070) 9.386 18.452 ( 8.966 -0.515 -1.481) 9.103 19.229 ( -3.431 3.043 -7.022) 8.387 20.247 ( 7.144 0.490 -3.969) 8.187 23.942 ( 8.296 2.891 -5.980) 10.627 24.570 ( 12.937 3.410 -13.730) 19.171 ======================= Grid point 244 (117/251) ======================= q-point: (-0.40 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( -10.317 13.656 11.121) 20.411 2.534 ( 1.737 8.520 8.895) 12.439 2.749 ( -2.128 7.660 10.114) 12.865 3.026 ( 2.149 2.148 6.415) 7.098 3.054 ( -3.144 9.624 3.817) 10.820 3.391 ( -3.210 -5.533 11.781) 13.405 3.544 ( 2.079 -5.316 -5.522) 7.942 3.837 ( 2.201 -9.519 -0.140) 9.771 4.087 ( -0.914 17.540 4.669) 18.174 4.352 ( -6.660 1.125 37.886) 38.484 5.013 ( 3.718 7.497 -16.658) 18.642 5.722 ( 8.371 -0.460 6.566) 10.649 6.136 ( -2.024 -1.071 4.281) 4.855 6.295 ( -6.874 4.412 -0.279) 8.173 6.628 ( -4.078 -5.733 2.277) 7.395 6.896 ( 5.658 0.507 4.468) 7.227 6.934 ( -3.954 -7.356 -2.912) 8.845 7.194 ( -4.474 3.729 5.041) 7.702 7.340 ( -4.306 -5.719 4.942) 8.699 7.725 ( -1.718 -6.340 7.782) 10.183 8.198 ( 2.555 -0.025 -0.795) 2.676 8.844 ( -0.625 0.071 2.068) 2.162 9.396 ( -6.682 -5.010 -8.682) 12.047 10.790 ( 0.546 1.195 20.499) 20.541 10.981 ( 2.849 0.193 -25.176) 25.337 12.416 ( -0.417 -2.191 -0.725) 2.346 12.595 ( 0.118 -0.946 13.281) 13.316 13.330 ( -8.217 -1.216 10.890) 13.697 14.210 ( -22.781 -31.039 77.157) 86.230 15.080 ( -2.821 0.461 -10.876) 11.245 17.521 ( 3.320 -0.604 6.343) 7.185 18.579 ( 4.999 -0.914 -1.229) 5.228 19.141 ( -1.682 3.258 -5.902) 6.948 20.339 ( 4.438 -0.020 -3.354) 5.563 23.990 ( 3.508 5.646 -7.817) 10.261 24.696 ( 8.816 4.203 -17.423) 19.974 ======================= Grid point 245 (118/251) ======================= q-point: (-0.30 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -0.067 21.585 15.470) 26.557 2.502 ( 0.830 21.475 12.713) 24.970 2.666 ( 3.215 6.450 4.462) 8.476 2.923 ( -2.718 6.721 1.928) 7.502 3.101 ( 6.053 0.681 7.079) 9.339 3.417 ( -2.313 -2.002 7.002) 7.641 3.628 ( 0.676 -6.783 8.335) 10.768 3.907 ( -0.430 14.343 1.517) 14.429 3.913 ( -2.415 -2.724 2.091) 4.198 4.336 ( -4.209 -0.718 35.823) 36.077 4.979 ( 4.015 6.975 -15.709) 17.651 5.793 ( 0.283 3.038 6.639) 7.307 6.127 ( -8.286 -2.085 5.314) 10.062 6.248 ( 9.482 -0.660 0.154) 9.506 6.588 ( -8.573 -8.457 2.453) 12.289 6.925 ( -3.379 -5.331 -5.107) 8.119 7.006 ( 5.233 -0.701 8.895) 10.344 7.091 ( -4.194 2.467 3.202) 5.825 7.373 ( 1.370 -4.570 2.123) 5.222 7.784 ( 0.468 -5.023 7.257) 8.838 8.222 ( 1.258 0.772 -2.686) 3.065 8.815 ( -3.376 1.029 3.565) 5.016 9.380 ( 1.331 -6.553 -8.879) 11.115 10.825 ( 0.351 1.142 15.192) 15.239 10.985 ( 3.592 0.871 -18.693) 19.055 12.419 ( -1.592 -2.566 0.440) 3.052 12.637 ( 0.463 -1.094 11.340) 11.402 13.294 ( -0.610 -2.754 11.811) 12.143 14.199 ( -30.497 -32.877 66.580) 80.274 15.017 ( -1.288 0.253 -11.702) 11.775 17.741 ( 13.092 -10.219 18.082) 24.552 18.634 ( 0.354 -1.726 -1.004) 2.029 19.087 ( 0.466 3.613 -5.449) 6.555 20.379 ( 0.296 -0.943 -3.362) 3.504 23.937 ( -0.684 6.684 -8.502) 10.837 24.687 ( 0.131 7.662 -21.091) 22.440 ======================= Grid point 246 (119/251) ======================= q-point: (-0.20 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 19.846 17.916 14.203) 30.275 2.281 ( -0.995 24.461 9.923) 26.415 2.678 ( 8.741 17.529 -1.155) 19.621 2.888 ( 0.336 -0.651 5.486) 5.535 3.250 ( 7.765 0.249 10.464) 13.033 3.363 ( -2.323 7.329 12.236) 14.451 3.683 ( -3.545 -1.201 20.313) 20.655 3.777 ( -1.904 3.868 -9.908) 10.805 3.891 ( -3.227 -1.494 -0.295) 3.568 4.372 ( -2.016 -3.097 30.009) 30.236 4.948 ( 2.604 6.025 -14.551) 15.963 5.798 ( -0.878 -2.214 8.571) 8.896 6.000 ( -8.425 -2.679 5.851) 10.601 6.399 ( 1.449 2.674 5.177) 6.004 6.584 ( 3.793 -9.426 0.890) 10.199 6.889 ( -4.069 -4.131 -4.936) 7.616 7.024 ( -2.586 -0.198 -0.153) 2.598 7.127 ( 4.503 -1.775 10.775) 11.812 7.457 ( 4.359 -0.608 2.587) 5.105 7.850 ( 1.060 -2.145 7.142) 7.532 8.237 ( 2.191 -0.452 -5.089) 5.560 8.724 ( -6.305 1.244 3.709) 7.420 9.507 ( 7.565 -6.599 -8.422) 13.103 10.853 ( 0.826 0.304 7.958) 8.006 11.001 ( 3.446 2.141 -11.502) 12.197 12.412 ( -2.358 -3.125 1.289) 4.122 12.677 ( 0.025 -1.559 9.667) 9.792 13.410 ( 7.172 -3.603 13.741) 15.914 14.047 ( -32.064 -23.316 62.450) 73.971 14.979 ( -0.109 -0.002 -11.258) 11.259 18.189 ( 14.302 -22.302 18.260) 32.177 18.625 ( -3.790 -3.705 0.509) 5.325 19.069 ( 2.506 2.836 -5.164) 6.402 20.349 ( -4.288 -1.917 -4.109) 6.241 23.827 ( -2.809 5.820 -8.630) 10.781 24.446 ( -10.079 16.020 -20.326) 27.774 ======================= Grid point 247 (120/251) ======================= q-point: (-0.10 0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( 7.841 16.132 12.005) 21.583 2.278 ( 25.377 13.051 5.927) 29.145 2.696 ( 10.754 13.084 -0.802) 16.955 2.917 ( -0.518 -1.986 6.914) 7.213 3.226 ( -0.846 17.619 24.006) 29.790 3.370 ( -1.150 2.452 1.211) 2.967 3.643 ( 0.714 3.297 -1.923) 3.883 3.744 ( -2.472 -4.557 9.298) 10.645 3.843 ( -2.793 -1.162 -1.730) 3.485 4.455 ( 1.045 -4.623 23.388) 23.864 4.887 ( -0.224 5.552 -12.159) 13.369 5.731 ( -11.435 -2.356 6.117) 13.181 5.972 ( -4.350 -5.790 10.483) 12.741 6.407 ( 5.782 0.207 3.533) 6.779 6.787 ( 5.675 -4.881 2.840) 8.006 6.859 ( -1.472 -5.018 -0.120) 5.231 7.002 ( 0.425 -0.937 -2.002) 2.251 7.243 ( 4.459 -1.778 9.281) 10.448 7.527 ( 4.038 3.660 3.974) 6.745 7.879 ( 0.379 2.356 8.211) 8.551 8.273 ( 1.180 -1.103 -7.098) 7.279 8.620 ( -5.667 -2.320 2.591) 6.650 9.694 ( 8.805 -6.137 -7.616) 13.160 10.883 ( 1.300 0.017 3.063) 3.328 11.008 ( 2.466 3.154 -7.825) 8.790 12.401 ( -2.604 -3.275 1.597) 4.478 12.699 ( -2.053 -2.023 8.175) 8.668 13.640 ( 8.618 -4.050 22.806) 24.714 13.831 ( -22.317 -8.667 60.307) 64.886 14.968 ( 1.426 -0.435 -9.295) 9.414 18.501 ( -2.490 -4.119 -1.861) 5.160 18.666 ( 0.919 -15.989 7.100) 17.519 19.141 ( 4.612 -10.708 -0.892) 11.693 20.253 ( -7.591 -2.329 -5.744) 9.800 23.708 ( -3.005 5.585 -9.069) 11.066 24.018 ( -11.748 22.270 -12.456) 28.092 ======================= Grid point 252 (121/251) ======================= q-point: (-0.60 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -4.508 -0.000 6.439) 7.861 2.677 ( -7.130 -0.000 15.431) 16.998 2.846 ( 4.067 0.000 4.575) 6.121 3.067 ( 3.034 0.000 1.238) 3.277 3.266 ( -0.104 -0.000 -0.319) 0.335 3.356 ( -10.136 -0.000 6.309) 11.939 3.484 ( 4.933 0.000 -0.264) 4.940 3.605 ( -8.582 -0.000 8.617) 12.162 4.294 ( 6.974 0.000 4.604) 8.356 4.376 ( -4.112 -0.000 28.490) 28.785 5.113 ( 2.675 0.000 -16.020) 16.242 5.569 ( 5.981 0.000 -2.013) 6.311 6.076 ( 0.666 0.000 17.167) 17.180 6.620 ( -6.810 -0.000 0.175) 6.812 6.635 ( -5.701 -0.000 -0.582) 5.731 6.823 ( 1.942 0.000 3.255) 3.790 6.824 ( -1.433 -0.000 -8.328) 8.451 7.281 ( -1.806 -0.000 8.748) 8.933 7.365 ( -11.004 -0.000 14.972) 18.581 7.639 ( -3.476 -0.000 6.036) 6.966 8.156 ( 3.151 0.000 0.043) 3.151 8.849 ( -0.025 -0.000 -1.697) 1.697 9.495 ( -11.081 -0.000 -8.027) 13.683 10.746 ( 1.326 0.000 21.796) 21.836 10.998 ( 2.295 0.000 -28.389) 28.481 12.382 ( 0.768 0.000 -1.451) 1.642 12.547 ( -0.171 -0.000 15.378) 15.379 13.499 ( -13.256 -0.000 7.896) 15.430 13.930 ( -15.187 -0.000 86.180) 87.508 15.177 ( -4.772 -0.000 -8.224) 9.509 17.577 ( -7.693 -0.000 -4.808) 9.072 18.447 ( 8.943 0.000 -1.573) 9.080 19.257 ( -3.952 -0.000 -7.338) 8.335 20.252 ( 6.916 0.000 -4.195) 8.089 23.970 ( 9.408 0.000 -5.944) 11.129 24.596 ( 11.736 0.000 -12.982) 17.500 ======================= Grid point 254 (122/251) ======================= q-point: (-0.50 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -0.004 6.362 11.187) 12.869 2.571 ( -6.229 -0.852 14.622) 15.916 2.899 ( 2.685 5.003 5.961) 8.233 3.104 ( 1.112 7.629 4.606) 8.981 3.162 ( -3.688 1.106 12.185) 12.779 3.313 ( -3.943 -7.385 4.683) 9.592 3.474 ( -0.240 4.174 -2.026) 4.646 3.648 ( 2.785 -10.498 -0.186) 10.863 4.342 ( 2.376 8.004 7.216) 11.035 4.385 ( -3.892 1.789 30.873) 31.169 5.106 ( 2.373 2.605 -17.685) 18.033 5.725 ( 11.662 0.448 4.623) 12.553 6.086 ( -4.119 -2.875 10.227) 11.394 6.416 ( -8.894 7.700 -2.729) 12.077 6.548 ( -7.397 -4.466 0.575) 8.660 6.808 ( -1.580 -4.569 -6.561) 8.150 6.903 ( 3.934 -0.004 6.213) 7.354 7.244 ( -6.004 -0.002 8.783) 10.639 7.258 ( -3.788 -1.349 9.678) 10.480 7.644 ( 1.410 -2.138 6.968) 7.423 8.199 ( 2.433 -0.025 -3.174) 3.999 8.840 ( -0.789 -0.252 -0.267) 0.870 9.326 ( -7.128 -2.258 -7.807) 10.810 10.818 ( 1.871 1.256 21.016) 21.136 10.978 ( 2.491 -0.306 -26.821) 26.939 12.392 ( 0.418 -0.503 -1.559) 1.691 12.579 ( -0.250 -0.617 14.158) 14.174 13.324 ( -8.375 0.263 9.144) 12.403 13.842 ( -20.821 -10.078 81.138) 84.371 15.086 ( -3.051 0.177 -10.952) 11.371 17.518 ( 1.124 0.024 3.492) 3.668 18.567 ( 4.861 -0.321 -1.516) 5.102 19.183 ( -2.021 1.245 -6.301) 6.733 20.339 ( 3.997 -0.007 -3.911) 5.592 24.068 ( 4.522 2.422 -8.268) 9.730 24.728 ( 6.842 0.297 -14.627) 16.151 ======================= Grid point 255 (123/251) ======================= q-point: (-0.40 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 2.764 18.558 15.038) 24.046 2.645 ( 6.531 -5.658 14.885) 17.211 2.847 ( -0.417 14.410 8.222) 16.596 2.991 ( -4.266 3.029 5.685) 7.726 3.227 ( 4.832 8.142 -0.299) 9.473 3.301 ( -3.263 -7.381 14.034) 16.188 3.488 ( 0.287 -7.600 -3.550) 8.394 3.788 ( 2.816 -7.484 0.597) 8.018 4.246 ( -1.318 16.608 0.330) 16.664 4.361 ( -4.868 2.353 41.844) 42.192 5.080 ( 2.574 3.876 -17.645) 18.248 5.884 ( 3.061 5.945 8.986) 11.202 6.058 ( -5.890 -5.011 7.820) 10.998 6.257 ( 2.458 2.175 -5.547) 6.446 6.467 ( -7.114 -5.301 0.055) 8.872 6.819 ( -1.359 -5.420 -6.255) 8.388 6.966 ( 0.695 -3.477 9.684) 10.313 7.144 ( -5.593 2.626 4.838) 7.848 7.286 ( 1.918 -4.349 6.364) 7.943 7.725 ( 3.583 -0.665 8.483) 9.233 8.231 ( 1.938 -0.233 -4.337) 4.757 8.821 ( -2.064 -0.058 0.944) 2.271 9.277 ( 0.647 -4.403 -8.254) 9.377 10.865 ( 1.407 2.987 12.800) 13.219 10.985 ( 3.413 -0.930 -17.700) 18.049 12.393 ( -0.632 -0.354 -0.660) 0.980 12.611 ( -0.535 -1.586 11.871) 11.988 13.263 ( -1.031 -0.609 11.867) 11.927 13.757 ( -22.183 -16.117 74.930) 79.790 15.021 ( -1.488 0.154 -11.783) 11.877 17.631 ( 8.457 -3.064 10.877) 14.115 18.611 ( 0.048 -0.832 -1.767) 1.953 19.142 ( 0.552 2.216 -5.859) 6.289 20.367 ( -0.122 -0.420 -4.301) 4.323 24.045 ( -1.020 4.685 -9.096) 10.282 24.752 ( -0.059 0.801 -16.441) 16.460 ======================= Grid point 256 (124/251) ======================= q-point: (-0.30 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 13.637 19.030 14.228) 27.396 2.652 ( -3.519 14.923 6.705) 16.734 2.895 ( 4.671 4.050 9.703) 11.506 2.928 ( 5.648 5.620 3.245) 8.603 3.203 ( 1.365 -1.072 6.231) 6.468 3.391 ( 1.890 -4.337 6.132) 7.745 3.568 ( -0.206 -8.019 2.920) 8.536 3.860 ( 0.202 -1.374 2.408) 2.780 4.039 ( -3.876 18.368 3.664) 19.127 4.357 ( -3.497 1.023 36.961) 37.140 5.047 ( 2.119 4.486 -16.202) 16.944 5.816 ( -3.807 4.077 6.740) 8.749 5.943 ( -10.405 -3.352 5.546) 12.258 6.398 ( -4.194 -3.043 -0.380) 5.196 6.461 ( 13.627 -3.506 1.913) 14.200 6.811 ( -2.821 -3.904 -5.030) 6.964 7.044 ( -3.312 1.725 1.659) 4.086 7.066 ( 2.450 -5.604 10.087) 11.796 7.402 ( 4.648 -4.932 4.318) 8.036 7.806 ( 3.074 -0.555 9.160) 9.678 8.247 ( 1.610 0.810 -4.935) 5.253 8.755 ( -5.059 2.002 1.823) 5.738 9.393 ( 8.534 -5.888 -8.574) 13.454 10.878 ( 1.732 2.556 0.877) 3.210 11.025 ( 3.203 0.185 -5.484) 6.354 12.375 ( -1.858 -0.737 0.761) 2.139 12.639 ( -1.223 -2.615 9.250) 9.690 13.357 ( 6.777 -1.969 16.458) 17.907 13.694 ( -19.662 -15.078 70.272) 74.512 14.979 ( -0.379 0.010 -11.431) 11.437 17.904 ( 12.675 -9.829 13.807) 21.163 18.582 ( -4.086 -1.596 -1.727) 4.715 19.131 ( 2.361 3.260 -6.369) 7.534 20.323 ( -4.418 -1.019 -5.324) 6.993 23.926 ( -4.799 4.850 -8.655) 11.021 24.623 ( -7.970 4.773 -16.898) 19.283 ======================= Grid point 257 (125/251) ======================= q-point: (-0.20 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 11.017 15.210 9.664) 21.121 2.530 ( 7.929 13.609 4.826) 16.473 2.857 ( -1.543 0.679 2.863) 3.322 2.956 ( 1.985 9.445 3.064) 10.126 3.386 ( 8.515 -1.132 9.961) 13.153 3.437 ( 1.457 1.859 3.808) 4.481 3.626 ( -1.990 -6.583 9.907) 12.060 3.816 ( -1.502 14.736 1.122) 14.855 3.850 ( -1.906 3.378 5.000) 6.328 4.392 ( -0.723 -1.881 27.651) 27.724 4.991 ( 0.158 5.315 -13.806) 14.795 5.710 ( -8.653 0.436 4.170) 9.615 5.857 ( -5.854 -6.053 9.524) 12.713 6.384 ( 1.072 -2.759 -1.265) 3.219 6.716 ( 8.234 -3.008 2.268) 9.055 6.799 ( 1.749 -1.970 0.436) 2.670 6.994 ( -0.989 0.397 1.026) 1.479 7.194 ( 4.119 -4.160 8.311) 10.166 7.535 ( 4.524 -3.524 3.414) 6.674 7.881 ( 2.192 -0.783 10.094) 10.359 8.258 ( 1.378 0.126 -6.325) 6.474 8.629 ( -6.681 3.034 3.000) 7.927 9.597 ( 10.417 -4.810 -8.525) 14.294 10.892 ( 2.486 1.267 -4.966) 5.696 11.057 ( 2.099 1.802 -0.317) 2.785 12.354 ( -2.005 -1.642 1.687) 3.093 12.651 ( -2.727 -3.182 7.713) 8.778 13.564 ( 2.139 -4.225 44.521) 44.773 13.683 ( -4.262 -6.982 45.782) 46.507 14.961 ( 0.909 -0.370 -9.822) 9.871 18.275 ( 12.398 -15.409 10.319) 22.308 18.499 ( -6.968 -2.815 -0.888) 7.567 19.125 ( 1.966 3.478 -7.887) 8.841 20.217 ( -7.264 -1.581 -6.814) 10.084 23.777 ( -5.569 2.889 -7.848) 10.047 24.329 ( -12.466 11.533 -14.097) 22.071 ======================= Grid point 258 (126/251) ======================= q-point: (-0.10 0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 2.384 14.524 8.558) 17.026 2.713 ( 13.590 2.339 -0.269) 13.793 2.857 ( -2.962 -4.104 5.301) 7.330 2.932 ( 5.618 4.850 3.843) 8.358 3.345 ( -3.835 5.765 -5.511) 8.849 3.424 ( -1.845 14.814 22.368) 26.892 3.635 ( -8.003 -3.984 4.778) 10.137 3.702 ( 1.714 7.218 0.834) 7.466 3.957 ( 15.021 0.924 3.600) 15.474 4.495 ( 3.377 -4.762 17.887) 18.816 4.894 ( -2.876 5.840 -8.829) 10.970 5.550 ( -9.134 1.280 4.962) 10.473 5.833 ( -5.939 -5.810 4.851) 9.621 6.491 ( 4.993 -6.791 2.158) 8.700 6.748 ( -1.237 -2.964 -4.389) 5.439 6.928 ( 4.853 2.539 10.606) 11.936 7.053 ( 7.231 -3.422 1.352) 8.113 7.309 ( 3.104 -2.753 7.128) 8.248 7.611 ( 1.654 0.751 2.937) 3.454 7.931 ( 1.036 1.502 11.032) 11.182 8.224 ( -5.176 0.811 -3.207) 6.142 8.541 ( -0.817 -1.034 0.506) 1.412 9.780 ( 7.897 -3.768 -7.497) 11.523 10.916 ( 2.579 0.625 -7.202) 7.675 11.058 ( 0.497 3.331 0.358) 3.387 12.346 ( -1.257 -1.889 2.002) 3.026 12.632 ( -4.412 -2.465 8.501) 9.890 13.630 ( -7.843 -0.805 80.445) 80.830 13.910 ( 12.033 -2.046 12.570) 17.521 14.988 ( 3.891 -1.191 -5.613) 6.933 18.367 ( -8.390 -2.100 -2.386) 8.972 18.621 ( 6.767 -11.993 3.927) 14.320 19.110 ( 0.104 -3.079 -8.733) 9.261 20.087 ( -7.057 -1.749 -8.494) 11.181 23.663 ( -3.611 1.010 -7.445) 8.336 23.978 ( -9.209 14.641 -8.636) 19.333 ======================= Grid point 264 (127/251) ======================= q-point: ( 0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 7.309 -0.000 13.379) 15.246 2.537 ( 1.186 0.000 18.768) 18.805 2.963 ( 0.187 0.000 4.904) 4.908 3.120 ( -3.976 0.000 11.926) 12.571 3.207 ( -2.157 0.000 4.050) 4.589 3.218 ( 3.434 -0.000 6.804) 7.621 3.467 ( -3.181 0.000 -3.749) 4.917 3.689 ( 7.782 0.000 1.946) 8.022 4.386 ( -4.738 0.000 41.185) 41.456 4.415 ( -1.300 -0.000 -2.706) 3.002 5.115 ( 2.059 0.000 -18.299) 18.414 5.960 ( 9.978 -0.000 12.272) 15.816 5.989 ( -7.250 0.000 6.856) 9.978 6.307 ( -4.926 0.000 -7.656) 9.103 6.395 ( -5.433 0.000 -1.073) 5.538 6.763 ( 0.117 0.000 -6.477) 6.478 6.922 ( -2.829 0.000 10.831) 11.195 7.174 ( -6.619 0.000 5.327) 8.496 7.239 ( 2.816 0.000 8.814) 9.253 7.731 ( 5.797 0.000 9.090) 10.781 8.223 ( 2.002 0.000 -6.102) 6.421 8.821 ( -1.090 0.000 -0.238) 1.116 9.234 ( 0.120 0.000 -7.918) 7.918 10.907 ( 1.907 0.000 21.940) 22.023 10.964 ( 3.175 -0.000 -27.437) 27.620 12.394 ( 0.203 0.000 -2.165) 2.175 12.593 ( -1.368 0.000 13.128) 13.199 13.262 ( -0.855 0.000 9.089) 9.129 13.609 ( -20.132 0.000 79.588) 82.095 15.023 ( -1.563 0.000 -11.815) 11.917 17.605 ( 7.127 0.000 8.881) 11.387 18.603 ( -0.051 0.000 -1.943) 1.943 19.162 ( 0.603 0.000 -6.031) 6.061 20.363 ( -0.249 0.000 -4.584) 4.591 24.090 ( -1.163 0.000 -9.578) 9.648 24.754 ( -0.094 0.000 -14.623) 14.624 ======================= Grid point 266 (128/251) ======================= q-point: (-0.40 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 10.274 15.019 13.576) 22.703 2.711 ( 4.732 -7.369 11.944) 14.810 2.937 ( -2.830 1.448 5.090) 6.001 3.060 ( 4.766 9.794 11.271) 15.674 3.200 ( -4.379 -1.646 9.099) 10.231 3.323 ( 4.164 -3.815 0.620) 5.681 3.428 ( -0.142 -4.330 -0.749) 4.396 3.841 ( 6.605 -0.605 3.663) 7.577 4.307 ( -4.971 8.668 -2.406) 10.278 4.381 ( -5.526 0.905 41.416) 41.793 5.103 ( 1.751 1.526 -17.305) 17.460 5.869 ( -8.228 -1.077 6.195) 10.355 5.941 ( -8.905 4.433 5.808) 11.519 6.338 ( -2.683 -2.476 -3.258) 4.893 6.420 ( 15.016 -1.435 0.416) 15.090 6.767 ( 0.388 -0.671 -4.677) 4.741 6.930 ( -0.724 -6.640 10.683) 12.599 7.075 ( -4.692 0.971 3.216) 5.771 7.332 ( 3.886 -1.981 8.015) 9.125 7.832 ( 4.093 1.876 9.706) 10.699 8.249 ( 2.167 -0.441 -6.795) 7.146 8.791 ( -2.059 1.530 0.345) 2.588 9.304 ( 8.286 -3.125 -8.607) 12.349 10.939 ( 2.594 3.779 -6.907) 8.290 11.003 ( 2.534 -2.470 1.479) 3.836 12.380 ( -0.990 0.719 -2.042) 2.380 12.592 ( -2.581 -1.888 11.460) 11.898 13.342 ( 7.170 0.111 13.858) 15.603 13.503 ( -14.670 -5.721 76.790) 78.388 14.979 ( -0.530 0.005 -11.542) 11.555 17.797 ( 11.088 -2.605 10.590) 15.552 18.562 ( -4.257 -0.538 -2.185) 4.815 19.174 ( 2.785 1.292 -6.762) 7.426 20.311 ( -4.510 -0.314 -5.873) 7.412 23.991 ( -6.340 2.028 -9.171) 11.332 24.663 ( -6.430 0.608 -14.274) 15.667 ======================= Grid point 267 (129/251) ======================= q-point: (-0.30 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( 10.660 14.950 9.128) 20.505 2.730 ( 0.419 6.916 3.620) 7.818 2.868 ( -4.340 1.244 5.689) 7.263 3.074 ( -6.077 2.030 4.229) 7.677 3.307 ( 11.566 -7.283 11.118) 17.619 3.409 ( 2.968 -1.382 3.683) 4.928 3.527 ( 5.012 -3.601 1.269) 6.301 3.897 ( -0.088 4.009 6.405) 7.557 4.120 ( -3.673 12.716 1.702) 13.345 4.376 ( -3.458 -0.353 33.768) 33.947 5.066 ( 0.073 2.777 -14.815) 15.073 5.751 ( -9.113 2.094 2.301) 9.629 5.773 ( -5.718 -1.454 6.065) 8.461 6.329 ( -0.072 -2.745 -3.171) 4.194 6.679 ( 9.930 -0.717 1.788) 10.115 6.774 ( 3.238 -0.485 1.235) 3.499 7.009 ( -1.891 -0.413 5.516) 5.846 7.072 ( 4.212 -8.040 5.915) 10.834 7.441 ( 3.560 -4.558 6.565) 8.749 7.891 ( 2.529 1.602 9.601) 10.057 8.265 ( 1.135 0.241 -7.026) 7.121 8.713 ( -3.561 5.289 1.867) 6.644 9.509 ( 12.100 -4.689 -9.218) 15.918 10.934 ( 3.062 3.185 -12.309) 13.078 11.065 ( 1.513 -0.967 6.676) 6.913 12.346 ( -1.448 0.643 -0.563) 1.681 12.589 ( -3.252 -3.294 9.665) 10.716 13.493 ( -5.650 -3.201 73.395) 73.682 13.591 ( 10.271 -3.103 21.009) 23.590 14.955 ( 0.539 -0.202 -10.244) 10.260 18.075 ( 13.163 -6.769 9.217) 17.437 18.465 ( -7.191 -1.257 -2.147) 7.609 19.191 ( 2.899 3.071 -9.059) 9.995 20.196 ( -7.342 -0.786 -7.446) 10.486 23.818 ( -8.807 1.612 -7.673) 11.792 24.461 ( -10.825 3.859 -12.913) 17.286 ======================= Grid point 268 (130/251) ======================= q-point: (-0.20 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 0.297 16.030 4.963) 16.783 2.767 ( 4.571 2.630 2.293) 5.750 2.811 ( -1.353 -0.056 5.709) 5.867 2.984 ( -1.181 0.714 2.602) 2.945 3.409 ( -2.216 -0.379 -1.253) 2.574 3.500 ( -3.564 -7.537 6.938) 10.846 3.642 ( 5.075 9.141 10.173) 14.588 3.856 ( -0.377 2.668 7.642) 8.103 4.006 ( 4.346 8.471 2.846) 9.937 4.439 ( 2.980 -1.901 21.607) 21.894 4.983 ( -3.150 3.813 -10.509) 11.615 5.594 ( -6.340 3.356 2.010) 7.450 5.732 ( -4.110 -4.455 3.760) 7.133 6.378 ( 1.726 -5.463 -0.579) 5.758 6.726 ( 0.779 0.948 -1.866) 2.234 6.955 ( 9.850 -2.569 6.596) 12.130 7.011 ( 1.953 1.393 4.884) 5.441 7.232 ( 3.749 -6.177 7.071) 10.110 7.558 ( 2.456 -5.479 5.226) 7.960 7.936 ( 0.995 0.176 9.567) 9.620 8.241 ( -2.362 0.526 -6.068) 6.533 8.606 ( -1.425 7.334 3.426) 8.219 9.724 ( 10.098 -2.950 -9.233) 13.997 10.937 ( 3.199 1.925 -13.676) 14.176 11.097 ( 0.120 0.725 7.222) 7.259 12.327 ( -0.338 -0.099 0.648) 0.737 12.581 ( -3.415 -3.016 9.655) 10.676 13.608 ( -2.569 -1.445 83.944) 83.996 13.874 ( 13.146 -1.734 13.268) 18.758 14.969 ( 3.110 -0.857 -6.745) 7.476 18.331 ( -7.599 -1.840 -2.578) 8.233 18.400 ( 11.490 -9.858 6.164) 16.347 19.159 ( -0.098 5.110 -12.866) 13.844 20.057 ( -7.183 -1.461 -8.771) 11.430 23.653 ( -7.694 -1.360 -6.239) 9.998 24.185 ( -11.008 7.886 -10.072) 16.876 ======================= Grid point 269 (131/251) ======================= q-point: (-0.10 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -1.020 11.069 6.313) 12.783 2.725 ( -6.508 -2.640 5.954) 9.207 2.823 ( -1.119 0.076 -1.371) 1.771 3.072 ( 6.249 -0.607 0.949) 6.350 3.347 ( 1.168 4.345 -2.218) 5.016 3.447 ( -9.531 -3.494 4.640) 11.161 3.569 ( -1.789 13.291 20.214) 24.258 3.775 ( -2.335 6.473 3.307) 7.635 4.194 ( 10.383 -8.852 -0.388) 13.649 4.590 ( 7.679 -1.301 9.301) 12.131 4.839 ( -7.270 4.750 -3.547) 9.380 5.487 ( -2.254 4.642 3.703) 6.352 5.716 ( -2.481 -3.907 0.460) 4.651 6.463 ( -0.050 -8.528 0.726) 8.559 6.725 ( 1.055 1.563 -2.711) 3.302 7.063 ( 3.738 2.503 10.203) 11.151 7.149 ( 6.674 -4.877 4.614) 9.466 7.320 ( -0.521 -2.916 4.635) 5.501 7.622 ( 0.034 -1.466 3.779) 4.053 7.953 ( -1.682 -0.483 8.483) 8.661 8.152 ( -4.150 3.654 3.412) 6.498 8.583 ( 3.853 3.204 0.482) 5.034 9.857 ( 5.345 -1.135 -8.134) 9.799 10.947 ( 2.495 0.908 -12.397) 12.678 11.081 ( -1.759 2.690 4.343) 5.403 12.338 ( 1.121 -0.141 1.287) 1.713 12.569 ( -2.849 -1.426 11.347) 11.786 13.794 ( 3.558 4.129 87.567) 87.737 14.075 ( 4.842 -0.980 8.716) 10.019 15.064 ( 7.082 -2.018 0.084) 7.364 18.199 ( -7.415 -1.672 -3.437) 8.342 18.669 ( 6.640 -5.760 1.120) 8.861 19.048 ( -3.371 1.483 -15.639) 16.067 19.954 ( -3.832 -1.950 -9.455) 10.387 23.571 ( -3.271 -4.931 -5.781) 8.273 23.933 ( -6.273 8.445 -6.579) 12.408 ======================= Grid point 276 (132/251) ======================= q-point: ( 0.60 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( 9.571 0.000 9.986) 13.832 2.742 ( 1.305 0.000 2.053) 2.433 2.893 ( -3.781 -0.000 4.924) 6.208 3.074 ( -7.175 -0.000 13.291) 15.104 3.223 ( 1.505 0.000 5.017) 5.238 3.390 ( -0.173 -0.000 3.057) 3.062 3.504 ( 16.789 0.000 2.068) 16.916 3.943 ( 1.913 0.000 4.168) 4.586 4.239 ( -5.858 -0.000 0.343) 5.868 4.372 ( -5.053 -0.000 37.183) 37.525 5.091 ( 0.032 0.000 -15.274) 15.274 5.733 ( -7.439 -0.000 5.951) 9.526 5.811 ( -8.062 -0.000 -0.491) 8.077 6.300 ( -0.224 -0.000 -3.637) 3.644 6.679 ( 13.297 0.000 3.360) 13.715 6.795 ( 2.896 0.000 -3.632) 4.645 6.910 ( 0.812 0.000 13.843) 13.867 7.042 ( 0.210 0.000 2.930) 2.937 7.401 ( 3.040 0.000 7.988) 8.547 7.911 ( 1.752 0.000 9.475) 9.636 8.266 ( 1.385 0.000 -8.072) 8.190 8.772 ( -1.585 -0.000 1.471) 2.162 9.457 ( 12.697 0.000 -9.472) 15.841 10.980 ( 4.517 0.000 -28.892) 29.243 11.041 ( -0.036 -0.000 23.080) 23.080 12.358 ( -1.170 -0.000 -3.501) 3.691 12.553 ( -3.495 -0.000 12.539) 13.017 13.462 ( -7.354 -0.000 82.192) 82.521 13.564 ( 14.022 0.000 13.475) 19.447 14.954 ( 0.408 0.000 -10.404) 10.412 18.016 ( 13.084 0.000 8.385) 15.541 18.453 ( -7.255 -0.000 -2.347) 7.625 19.221 ( 3.512 0.000 -9.370) 10.006 20.188 ( -7.416 -0.000 -7.637) 10.645 23.833 ( -10.246 -0.000 -7.712) 12.824 24.493 ( -9.979 -0.000 -12.236) 15.789 ======================= Grid point 278 (133/251) ======================= q-point: (-0.30 0.60 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.669 ( 0.544 11.840 2.086) 12.035 2.777 ( -2.924 -1.271 3.848) 4.997 2.864 ( 3.092 4.135 4.633) 6.937 2.967 ( -5.253 -1.974 5.818) 8.083 3.305 ( 1.075 -8.368 3.088) 8.984 3.394 ( -2.265 -2.647 8.506) 9.192 3.768 ( 11.753 4.005 0.302) 12.421 3.903 ( -4.175 2.582 6.620) 8.242 4.137 ( -4.921 3.829 3.532) 7.166 4.410 ( 1.797 -1.170 28.441) 28.521 5.029 ( -3.326 1.240 -11.472) 12.009 5.637 ( -5.201 0.359 3.348) 6.195 5.698 ( -3.265 0.730 -3.095) 4.558 6.303 ( 0.029 -2.329 -1.577) 2.813 6.789 ( 3.386 5.177 -0.219) 6.190 6.900 ( 7.998 -1.934 1.395) 8.346 7.015 ( 3.054 -3.833 12.308) 13.248 7.114 ( 5.187 -3.460 6.528) 9.028 7.476 ( 2.490 -2.497 7.454) 8.246 7.947 ( 0.766 0.701 8.619) 8.682 8.242 ( -2.401 -0.207 -8.490) 8.826 8.739 ( -0.037 5.086 3.688) 6.282 9.671 ( 12.189 -2.213 -10.296) 16.108 10.982 ( 3.885 2.387 -23.811) 24.244 11.087 ( -0.872 -1.298 17.793) 17.861 12.335 ( 0.035 0.599 -2.604) 2.672 12.534 ( -2.726 -1.661 12.635) 13.032 13.586 ( 0.012 -0.744 86.323) 86.326 13.851 ( 13.844 -0.655 13.586) 19.408 14.958 ( 2.665 -0.304 -7.432) 7.901 18.279 ( 13.212 -2.945 5.395) 14.572 18.311 ( -8.173 -0.839 -2.452) 8.574 19.236 ( 1.866 2.549 -14.097) 14.447 20.038 ( -7.646 -0.582 -8.859) 11.717 23.630 ( -11.168 -0.810 -5.559) 12.501 24.275 ( -10.863 2.256 -10.117) 15.015 ======================= Grid point 279 (134/251) ======================= q-point: (-0.20 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -6.844 13.312 6.684) 16.393 2.706 ( -4.697 0.390 3.970) 6.162 2.830 ( -3.065 0.771 0.981) 3.309 3.050 ( 6.771 -2.067 0.415) 7.091 3.357 ( -2.385 -4.283 -1.996) 5.293 3.386 ( -2.889 -1.742 11.249) 11.744 3.780 ( -2.188 9.185 10.916) 14.433 3.879 ( -1.451 2.624 5.437) 6.209 4.036 ( -2.919 -4.745 -0.278) 5.578 4.561 ( 6.182 -2.216 13.336) 14.866 4.906 ( -6.412 2.535 -5.042) 8.542 5.566 ( -1.183 3.006 0.787) 3.325 5.666 ( -0.453 -1.166 -3.236) 3.469 6.333 ( -0.765 -5.214 0.949) 5.354 6.801 ( 4.041 6.261 0.893) 7.505 7.043 ( 5.197 -3.847 -0.429) 6.480 7.114 ( 3.535 0.232 11.427) 11.963 7.246 ( 1.827 -4.815 7.270) 8.909 7.562 ( 1.787 -4.112 7.811) 9.007 7.956 ( -0.811 1.309 6.940) 7.108 8.172 ( -3.367 -1.019 -4.278) 5.538 8.707 ( 2.580 8.138 4.472) 9.637 9.840 ( 7.586 -1.074 -10.381) 12.903 10.974 ( 3.009 2.075 -19.595) 19.933 11.101 ( -2.381 -0.342 12.819) 13.042 12.345 ( 2.125 0.656 -0.960) 2.422 12.540 ( -1.548 -1.490 13.061) 13.236 13.848 ( 8.281 1.812 91.550) 91.942 14.060 ( 5.473 -0.644 9.539) 11.016 15.034 ( 6.511 -1.154 -1.306) 6.740 18.172 ( -6.989 -1.108 -3.601) 7.940 18.550 ( 11.488 -5.233 3.148) 13.010 19.153 ( -2.808 6.784 -20.239) 21.529 19.918 ( -4.656 -1.837 -9.053) 10.344 23.468 ( -8.518 -5.136 -3.959) 10.706 24.051 ( -8.681 4.285 -7.738) 12.393 ======================= Grid point 280 (135/251) ======================= q-point: (-0.10 -0.40 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -9.180 5.679 11.447) 15.734 2.626 ( -5.617 0.110 3.119) 6.426 2.772 ( -2.669 1.563 -0.243) 3.103 3.134 ( 2.249 0.885 -2.709) 3.631 3.277 ( -8.961 -0.772 5.231) 10.405 3.436 ( 4.166 -1.266 5.211) 6.791 3.676 ( -1.332 8.663 10.526) 13.697 3.770 ( -4.601 6.106 7.778) 10.906 4.145 ( 0.179 -16.632 -3.946) 17.095 4.614 ( -6.702 -4.018 -2.875) 8.326 4.794 ( -1.391 3.640 5.391) 6.652 5.549 ( 2.582 5.158 2.330) 6.221 5.697 ( 3.695 -2.112 -0.335) 4.269 6.364 ( -2.414 -6.794 0.928) 7.269 6.816 ( 4.623 7.364 0.494) 8.709 7.082 ( -5.828 0.533 5.569) 8.079 7.202 ( 2.953 -4.751 4.113) 6.943 7.275 ( -1.830 -1.969 2.586) 3.730 7.629 ( 0.927 -1.068 7.455) 7.588 7.963 ( 1.823 0.378 7.709) 7.931 8.134 ( -2.085 0.767 4.060) 4.628 8.706 ( 3.996 6.250 3.019) 8.009 9.901 ( 1.876 0.659 -9.563) 9.767 10.962 ( 0.989 1.338 -11.169) 11.292 11.063 ( -3.212 1.383 3.137) 4.698 12.385 ( 3.324 1.275 0.478) 3.592 12.560 ( -0.683 -0.325 13.751) 13.772 14.077 ( -4.305 0.400 8.776) 9.784 14.230 ( 16.362 8.867 93.373) 95.209 15.169 ( 5.712 -2.067 3.204) 6.868 18.095 ( -1.474 -0.997 -4.271) 4.627 18.717 ( -0.530 2.653 -4.783) 5.495 18.967 ( -2.317 1.836 -19.633) 19.855 19.882 ( 0.269 -2.958 -8.402) 8.912 23.437 ( -2.291 -11.401 -4.135) 12.342 23.886 ( -3.930 3.566 -5.535) 7.668 ======================= Grid point 288 (136/251) ======================= q-point: (-0.30 -0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( -10.924 -0.000 10.548) 15.185 2.716 ( -4.663 -0.000 2.568) 5.324 2.858 ( -1.981 -0.000 -2.276) 3.017 3.005 ( 5.826 0.000 -0.173) 5.829 3.296 ( 2.241 0.000 3.309) 3.997 3.359 ( -3.057 -0.000 12.372) 12.744 3.873 ( -1.680 -0.000 7.725) 7.906 3.880 ( 0.453 0.000 -3.559) 3.587 4.022 ( -10.420 -0.000 5.337) 11.707 4.533 ( 4.719 0.000 17.057) 17.698 4.929 ( -6.096 -0.000 -5.767) 8.392 5.586 ( -1.394 -0.000 1.500) 2.047 5.665 ( 0.290 0.000 -7.509) 7.514 6.285 ( -0.728 -0.000 1.620) 1.776 6.890 ( 4.818 0.000 0.118) 4.819 7.005 ( 5.875 0.000 -2.545) 6.403 7.092 ( 3.235 0.000 14.699) 15.050 7.195 ( 3.278 0.000 8.649) 9.250 7.518 ( 1.837 0.000 8.873) 9.061 7.978 ( 0.199 0.000 8.059) 8.062 8.153 ( -4.316 -0.000 -8.405) 9.448 8.795 ( 2.095 0.000 5.160) 5.569 9.826 ( 8.955 0.000 -11.429) 14.519 11.002 ( 3.898 0.000 -29.745) 30.000 11.089 ( -3.487 -0.000 23.614) 23.870 12.353 ( 2.476 0.000 -2.857) 3.781 12.525 ( -1.066 -0.000 14.739) 14.778 13.863 ( 10.123 0.000 93.196) 93.744 14.054 ( 5.682 0.000 9.842) 11.364 15.024 ( 6.299 0.000 -1.842) 6.563 18.162 ( -6.861 -0.000 -3.652) 7.773 18.502 ( 12.197 0.000 3.142) 12.595 19.224 ( -0.769 -0.000 -21.689) 21.702 19.898 ( -5.433 -0.000 -8.712) 10.267 23.417 ( -11.140 -0.000 -3.082) 11.558 24.089 ( -9.214 -0.000 -8.017) 12.213 ======================= Grid point 289 (137/251) ======================= q-point: (-0.20 -0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -16.459 5.428 14.756) 22.762 2.612 ( -8.258 -1.460 7.638) 11.343 2.841 ( 2.578 4.870 -6.370) 8.422 3.100 ( 3.327 -3.722 -3.540) 6.120 3.302 ( -4.111 3.241 8.883) 10.311 3.379 ( 0.304 -4.550 7.217) 8.537 3.769 ( -6.789 3.735 5.353) 9.417 3.878 ( -6.045 -4.069 -1.017) 7.357 3.923 ( 2.100 0.348 5.130) 5.554 4.536 ( -9.495 -3.350 -0.112) 10.069 4.838 ( -2.681 1.214 2.821) 4.077 5.612 ( 4.306 1.442 3.096) 5.496 5.672 ( 2.731 -0.428 -6.435) 7.004 6.285 ( -1.230 -2.040 3.599) 4.316 6.954 ( 5.570 6.117 2.419) 8.620 7.084 ( 0.004 0.154 0.469) 0.493 7.126 ( -1.384 -3.432 3.108) 4.833 7.245 ( -0.489 -1.065 7.907) 7.993 7.590 ( 2.632 -2.273 11.861) 12.360 7.979 ( -0.254 1.685 7.091) 7.293 8.110 ( -0.161 -2.277 -3.669) 4.321 8.823 ( 2.268 4.504 5.328) 7.336 9.909 ( 3.292 0.185 -11.839) 12.290 10.992 ( 2.676 1.666 -23.869) 24.076 11.064 ( -4.952 -0.840 17.222) 17.939 12.406 ( 4.392 0.766 -1.631) 4.747 12.552 ( -0.138 -0.360 15.745) 15.750 14.078 ( -4.326 -0.030 5.718) 7.170 14.347 ( 23.066 3.444 100.656) 103.322 15.143 ( 5.757 -0.753 2.332) 6.257 18.082 ( -1.047 -0.429 -4.338) 4.483 18.696 ( 7.857 -1.677 1.157) 8.117 19.090 ( -5.256 6.258 -29.971) 31.065 19.829 ( -1.323 -2.198 -7.243) 7.684 23.262 ( -8.269 -5.953 -1.374) 10.281 23.932 ( -6.073 1.326 -6.331) 8.873 ======================= Grid point 290 (138/251) ======================= q-point: (-0.10 -0.30 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -16.149 0.026 18.402) 24.483 2.492 ( -9.543 -1.656 7.509) 12.255 2.805 ( 0.031 7.580 -3.974) 8.558 3.122 ( -10.739 -0.171 3.289) 11.232 3.184 ( 2.906 1.843 -1.989) 3.975 3.406 ( -4.852 -5.779 12.188) 14.335 3.742 ( 1.928 0.710 3.473) 4.035 3.823 ( 1.906 7.828 4.742) 9.349 3.916 ( -11.473 -10.873 0.077) 15.807 4.385 ( -8.858 -9.617 -5.155) 14.054 4.784 ( -3.620 1.904 3.601) 5.449 5.655 ( 3.951 4.527 -1.900) 6.302 5.800 ( 9.462 -2.529 6.131) 11.555 6.287 ( -1.772 -2.517 2.705) 4.098 6.924 ( -11.867 1.574 0.665) 11.990 6.991 ( 4.996 8.986 2.142) 10.502 7.198 ( 1.630 -4.509 -0.569) 4.828 7.237 ( -2.408 -0.885 4.287) 4.996 7.661 ( 0.651 0.334 10.762) 10.786 8.011 ( 0.500 -3.691 10.060) 10.728 8.126 ( 1.049 1.588 -0.310) 1.929 8.822 ( 1.928 5.362 4.437) 7.222 9.886 ( -2.010 1.182 -11.453) 11.688 10.954 ( -3.104 2.279 4.261) 5.743 11.020 ( -0.803 -0.366 -11.279) 11.314 12.469 ( 4.090 2.109 0.303) 4.612 12.586 ( -0.102 0.003 14.859) 14.860 13.953 ( -10.720 0.146 4.994) 11.827 15.006 ( 35.413 16.194 106.806) 113.683 15.213 ( 0.570 -1.313 0.587) 1.547 18.119 ( 5.520 -0.046 -3.976) 6.803 18.635 ( -13.276 12.840 -23.943) 30.239 18.944 ( 3.081 -1.880 -11.737) 12.280 19.868 ( 3.772 -4.801 -5.633) 8.307 23.268 ( -1.552 -16.681 -2.230) 16.901 23.839 ( -2.058 0.292 -5.156) 5.559 ======================= Grid point 299 (139/251) ======================= q-point: (-0.20 -0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -20.858 -0.000 19.877) 28.812 2.472 ( -9.318 -0.000 11.242) 14.602 2.905 ( 2.685 0.000 -7.740) 8.192 3.092 ( -6.327 -0.000 -2.073) 6.658 3.250 ( -5.654 -0.000 -1.243) 5.789 3.311 ( -3.550 -0.000 19.092) 19.419 3.736 ( -8.178 -0.000 -3.627) 8.946 3.745 ( 2.657 0.000 4.622) 5.331 4.009 ( 3.664 0.000 7.015) 7.914 4.248 ( -16.793 -0.000 -6.666) 18.068 4.803 ( -3.220 -0.000 2.769) 4.247 5.704 ( 3.459 0.000 -6.614) 7.464 5.768 ( 10.236 0.000 8.301) 13.179 6.268 ( -0.996 -0.000 4.939) 5.039 6.943 ( -12.239 -0.000 0.321) 12.243 7.087 ( 5.397 0.000 2.857) 6.107 7.149 ( 3.181 0.000 -3.966) 5.084 7.231 ( -2.664 -0.000 7.235) 7.710 7.657 ( 2.242 0.000 14.352) 14.526 7.972 ( -2.899 -0.000 7.455) 7.999 8.134 ( 3.799 0.000 -2.579) 4.592 8.881 ( 0.733 0.000 5.208) 5.259 9.898 ( -1.670 -0.000 -12.735) 12.844 10.995 ( -7.282 -0.000 24.018) 25.098 10.996 ( 3.456 0.000 -30.402) 30.597 12.491 ( 4.937 0.000 -1.508) 5.163 12.584 ( -0.336 -0.000 16.801) 16.804 13.954 ( -10.587 -0.000 4.807) 11.628 15.161 ( 42.310 0.000 109.098) 117.015 15.201 ( 0.764 0.000 0.243) 0.802 18.119 ( 6.354 0.000 -3.768) 7.387 18.748 ( -3.542 -0.000 -13.120) 13.590 18.965 ( -2.393 -0.000 -28.217) 28.319 19.808 ( 1.852 0.000 -3.787) 4.216 23.094 ( -6.879 -0.000 0.914) 6.939 23.843 ( -3.252 -0.000 -5.556) 6.438 ======================= Grid point 300 (140/251) ======================= q-point: (-0.10 -0.20 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -18.979 -3.596 24.299) 31.041 2.313 ( -13.390 -0.281 10.351) 16.927 2.763 ( -17.470 5.629 -0.340) 18.358 2.937 ( -3.248 -3.175 -3.177) 5.542 3.256 ( 2.243 1.913 -0.030) 2.948 3.312 ( -2.486 -3.916 11.927) 12.798 3.502 ( -23.636 -7.667 11.293) 27.294 3.818 ( 3.340 4.531 1.874) 5.933 3.972 ( 4.076 7.671 0.386) 8.695 4.189 ( 0.175 -13.350 -2.863) 13.655 4.742 ( -3.500 1.552 3.002) 4.865 5.755 ( 4.911 2.131 -2.491) 5.905 5.976 ( 9.717 -1.000 6.714) 11.853 6.265 ( -0.746 -0.108 5.930) 5.978 6.732 ( -9.587 0.824 -2.828) 10.030 7.143 ( 0.864 2.952 0.504) 3.117 7.180 ( 0.690 1.901 5.207) 5.586 7.205 ( -0.087 -1.040 -0.340) 1.098 7.697 ( -0.948 1.939 12.884) 13.063 7.945 ( -4.349 -5.046 7.654) 10.147 8.177 ( 1.531 1.263 -1.361) 2.406 8.882 ( -0.167 2.350 4.277) 4.883 9.807 ( -4.691 0.740 -12.649) 13.511 10.913 ( -6.707 1.622 22.915) 23.932 10.991 ( 2.788 -0.570 -28.541) 28.683 12.552 ( 2.913 1.955 0.375) 3.528 12.610 ( -0.809 -0.375 14.458) 14.485 13.757 ( -12.709 0.208 5.733) 13.944 15.179 ( -2.481 -0.489 -4.632) 5.277 16.226 ( 59.210 17.615 109.172) 125.437 18.233 ( 3.144 7.163 -9.820) 12.555 18.422 ( -13.268 9.565 -34.619) 38.288 18.957 ( 2.163 -1.531 -6.507) 7.027 19.894 ( 5.719 -6.354 -1.266) 8.642 23.079 ( -2.011 -16.723 0.493) 16.851 23.801 ( -0.617 -0.949 -5.291) 5.411 ======================= Grid point 310 (141/251) ======================= q-point: (-0.10 -0.10 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -16.437 -0.000 29.842) 34.069 1.987 ( -28.860 -0.000 7.067) 29.713 2.404 ( -21.727 -0.000 -0.676) 21.738 2.878 ( -4.546 -0.000 1.494) 4.785 3.103 ( -13.302 -0.000 9.593) 16.400 3.267 ( -6.342 -0.000 29.637) 30.308 3.349 ( 4.802 0.000 -5.771) 7.507 3.927 ( 4.161 0.000 1.078) 4.299 4.111 ( 7.312 0.000 0.540) 7.332 4.131 ( 1.168 0.000 3.564) 3.750 4.708 ( -1.849 -0.000 2.132) 2.822 5.862 ( 6.478 0.000 1.905) 6.753 6.078 ( 0.957 0.000 -5.626) 5.706 6.275 ( -0.991 -0.000 10.591) 10.637 6.659 ( 2.542 0.000 2.560) 3.608 7.072 ( -6.034 -0.000 -0.137) 6.036 7.191 ( -0.473 -0.000 -2.958) 2.996 7.294 ( 4.794 0.000 6.635) 8.185 7.700 ( -4.371 -0.000 14.510) 15.154 7.834 ( -6.311 -0.000 4.333) 7.655 8.172 ( -1.883 -0.000 -2.307) 2.977 8.886 ( -1.189 -0.000 3.127) 3.345 9.701 ( -4.214 -0.000 -12.487) 13.179 10.865 ( -5.682 -0.000 26.140) 26.750 10.973 ( 2.708 0.000 -30.246) 30.367 12.593 ( 0.463 0.000 -0.411) 0.619 12.618 ( -1.282 -0.000 14.174) 14.231 13.568 ( -10.073 -0.000 6.164) 11.809 15.115 ( -2.705 -0.000 -8.814) 9.220 17.443 ( 15.988 0.000 24.288) 29.078 18.319 ( 36.208 0.000 11.480) 37.984 18.428 ( 9.209 0.000 -2.483) 9.537 18.961 ( 0.503 0.000 -4.475) 4.503 19.953 ( 5.412 0.000 3.379) 6.380 22.944 ( -2.672 -0.000 3.331) 4.270 23.781 ( 0.272 0.000 -5.759) 5.766 ======================= Grid point 311 (142/251) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -3.995 -0.000 15.123) 15.642 1.848 ( -4.039 -0.000 -1.382) 4.269 1.968 ( -3.686 -0.000 26.412) 26.668 2.843 ( 1.734 0.000 -2.446) 2.999 3.257 ( -0.692 -0.000 -7.120) 7.153 3.347 ( 5.591 0.000 10.874) 12.227 3.717 ( -0.069 -0.000 12.761) 12.762 3.994 ( -4.065 -0.000 -1.563) 4.355 4.064 ( -2.970 -0.000 -0.003) 2.970 4.412 ( 7.921 0.000 -19.818) 21.343 5.098 ( -5.368 -0.000 37.471) 37.854 6.060 ( 10.732 0.000 8.935) 13.964 6.313 ( 10.411 0.000 4.422) 11.311 6.335 ( -5.924 -0.000 10.338) 11.915 6.657 ( -7.967 -0.000 -10.698) 13.339 7.009 ( -4.940 -0.000 -7.874) 9.296 7.370 ( 9.216 0.000 21.650) 23.530 7.495 ( -5.976 -0.000 4.047) 7.218 7.701 ( -13.392 -0.000 13.532) 19.039 7.759 ( 1.957 0.000 6.713) 6.992 8.073 ( 0.525 0.000 -2.734) 2.783 8.922 ( -4.448 -0.000 7.770) 8.953 9.392 ( 5.681 0.000 -13.917) 15.032 10.246 ( 3.991 0.000 -36.083) 36.303 11.415 ( -2.063 -0.000 26.547) 26.627 12.494 ( -0.455 -0.000 -6.867) 6.882 12.931 ( -1.335 -0.000 14.158) 14.221 13.595 ( 3.703 0.000 5.761) 6.848 14.753 ( -0.130 -0.000 -10.159) 10.160 15.528 ( -29.296 -0.000 -21.767) 36.497 18.575 ( 1.800 0.000 -0.816) 1.976 18.795 ( -2.217 -0.000 -6.143) 6.531 20.233 ( -1.405 -0.000 6.361) 6.514 20.516 ( 13.998 0.000 -2.822) 14.280 23.035 ( 0.197 0.000 6.897) 6.900 23.582 ( -1.015 -0.000 -9.217) 9.273 ======================= Grid point 312 (143/251) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 28.648 -5.187 12.803) 31.804 1.873 ( 0.567 -7.240 17.319) 18.780 2.102 ( 11.094 -6.695 4.972) 13.879 2.876 ( 1.963 -1.177 -1.995) 3.036 3.218 ( -3.027 -2.109 -8.349) 9.128 3.476 ( 5.827 -0.223 11.585) 12.970 3.718 ( -2.780 0.383 13.997) 14.276 3.848 ( -9.881 -0.673 -3.722) 10.580 4.051 ( -0.584 0.597 2.193) 2.347 4.487 ( 6.294 1.246 -20.533) 21.512 5.042 ( -9.424 -1.422 29.659) 31.153 6.212 ( -8.658 3.260 11.231) 14.551 6.277 ( -4.446 -0.073 5.873) 7.366 6.383 ( 12.171 -0.967 12.507) 17.478 6.705 ( 13.132 0.266 -7.494) 15.122 6.879 ( -6.559 1.587 -9.535) 11.682 7.390 ( -5.306 4.919 7.003) 10.069 7.467 ( -7.638 1.627 20.272) 21.724 7.560 ( 3.883 2.119 12.542) 13.299 7.848 ( 2.003 -5.364 7.156) 9.164 8.102 ( 2.445 -1.233 -4.711) 5.449 8.857 ( -4.899 0.491 7.460) 8.938 9.483 ( 8.910 1.808 -13.899) 16.608 10.246 ( 4.529 -0.647 -35.293) 35.588 11.433 ( -2.242 0.400 26.245) 26.344 12.458 ( -1.353 1.322 -6.738) 6.999 12.934 ( -1.720 0.487 11.094) 11.237 13.721 ( 9.340 0.749 6.556) 11.436 14.763 ( 3.692 0.374 -6.440) 7.433 15.057 ( -19.904 2.213 0.630) 20.037 18.576 ( -1.131 0.785 -0.439) 1.445 18.739 ( -3.640 -1.742 -5.989) 7.222 20.094 ( -6.715 15.926 5.197) 18.048 20.481 ( -7.197 11.410 -4.210) 14.131 23.149 ( 0.362 -17.594 3.852) 18.014 23.562 ( -0.858 -3.642 -8.906) 9.660 ======================= Grid point 313 (144/251) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 8.192 -5.552 18.757) 21.207 2.214 ( 29.622 -8.211 6.362) 31.391 2.437 ( 17.183 -9.640 -1.444) 19.755 2.921 ( 1.854 -1.754 -0.827) 2.683 3.153 ( -5.368 -3.601 -8.959) 11.048 3.572 ( -1.942 -1.473 14.420) 14.625 3.645 ( -5.404 -0.256 -0.538) 5.436 3.761 ( -0.097 -4.250 5.704) 7.114 4.024 ( -2.130 1.909 4.963) 5.728 4.518 ( 4.456 2.860 -17.946) 18.711 4.948 ( -8.846 -1.841 18.677) 20.748 6.001 ( -11.942 3.198 3.711) 12.908 6.145 ( -11.898 -3.280 13.081) 17.984 6.673 ( 9.101 7.478 5.022) 12.805 6.771 ( 4.830 0.749 -1.066) 5.002 6.911 ( 10.845 0.759 -2.999) 11.278 7.255 ( -2.657 9.718 16.563) 19.386 7.425 ( -0.844 -2.844 5.583) 6.322 7.647 ( 2.005 0.132 15.930) 16.056 7.949 ( 1.322 -7.010 8.306) 10.949 8.141 ( 2.328 -0.054 -5.615) 6.079 8.770 ( -5.742 2.184 7.859) 9.975 9.595 ( 9.880 3.417 -13.524) 17.093 10.257 ( 4.791 -0.649 -34.720) 35.055 11.442 ( -3.185 -0.230 25.213) 25.415 12.397 ( -1.911 2.293 -6.618) 7.260 12.902 ( -3.421 1.261 8.976) 9.688 13.908 ( 10.765 0.783 3.034) 11.212 14.809 ( -3.204 1.979 17.215) 17.622 14.879 ( 4.583 -0.295 8.673) 9.814 18.517 ( -4.829 1.376 0.217) 5.026 18.674 ( -5.010 -3.174 -5.506) 8.093 19.771 ( -8.880 24.508 5.809) 26.706 20.187 ( -13.319 7.004 -6.688) 16.467 23.320 ( -0.869 -17.970 0.502) 17.998 23.580 ( -0.214 -6.109 -7.809) 9.917 ======================= Grid point 314 (145/251) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 6.747 -5.189 17.123) 19.122 2.634 ( 13.335 -0.374 -4.110) 13.959 2.865 ( 16.080 -7.625 -0.360) 17.800 2.953 ( 1.336 0.825 1.318) 2.050 3.075 ( -3.763 -5.667 -7.670) 10.252 3.491 ( -5.474 -3.380 -1.654) 6.642 3.642 ( -3.352 -5.972 15.933) 17.343 3.911 ( 7.600 -6.375 1.904) 10.101 3.979 ( -0.248 1.422 9.182) 9.294 4.516 ( 3.284 3.771 -16.886) 17.611 4.856 ( -6.744 -1.071 8.364) 10.798 5.789 ( -9.782 2.432 -0.015) 10.080 6.003 ( -10.594 -2.049 18.998) 21.849 6.620 ( -1.759 2.118 -3.438) 4.404 6.850 ( 0.861 9.021 1.396) 9.169 7.092 ( 12.060 2.218 0.355) 12.267 7.257 ( 5.341 5.376 20.038) 21.423 7.491 ( 3.665 -2.422 3.193) 5.431 7.676 ( -2.765 -0.358 12.412) 12.722 8.063 ( 1.546 -7.613 10.798) 13.302 8.161 ( 1.778 0.337 -3.181) 3.659 8.662 ( -4.991 3.522 7.926) 10.007 9.692 ( 8.169 4.204 -11.970) 15.090 10.269 ( 4.844 -0.363 -35.115) 35.449 11.437 ( -4.593 -1.958 23.498) 24.023 12.331 ( -1.254 2.451 -6.499) 7.058 12.848 ( -3.296 1.230 10.238) 10.826 14.055 ( 6.127 0.077 -4.319) 7.496 14.865 ( 3.368 -2.821 38.529) 38.779 15.076 ( 13.789 2.245 15.665) 20.989 18.375 ( -9.803 1.970 -0.225) 10.002 18.600 ( -6.351 -4.613 -6.347) 10.094 19.425 ( -6.715 22.846 5.231) 24.381 19.909 ( -10.476 2.627 -11.948) 16.106 23.436 ( -0.748 -10.999 -0.990) 11.069 23.628 ( 0.470 -6.951 -6.331) 9.414 ======================= Grid point 315 (146/251) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.371 ( 5.359 -1.485 14.772) 15.784 2.751 ( 2.229 0.611 -4.753) 5.285 2.825 ( -8.055 1.274 -0.265) 8.159 3.022 ( -0.172 -3.988 -4.429) 5.963 3.215 ( 9.452 -1.494 -0.007) 9.569 3.442 ( -5.162 -3.975 -2.487) 6.974 3.714 ( -0.940 -9.926 13.384) 16.690 3.918 ( -2.260 1.772 12.503) 12.829 4.227 ( 13.793 -4.788 -0.377) 14.606 4.497 ( 2.591 1.367 -16.293) 16.554 4.767 ( -5.520 0.213 2.389) 6.018 5.625 ( -6.141 2.348 -2.907) 7.189 5.924 ( -4.281 -0.657 21.356) 21.791 6.600 ( 0.556 -0.864 0.974) 1.416 6.724 ( -4.501 8.920 -1.551) 10.111 7.226 ( 6.962 4.513 -2.771) 8.747 7.371 ( 5.276 0.464 15.192) 16.089 7.533 ( -5.961 0.678 12.959) 14.280 7.639 ( -1.211 -1.903 3.282) 3.983 8.136 ( 0.828 0.975 7.752) 7.856 8.217 ( 1.527 -4.134 7.040) 8.306 8.610 ( 0.432 0.154 6.907) 6.922 9.742 ( 4.522 3.782 -10.014) 11.620 10.280 ( 5.014 -0.248 -36.323) 36.668 11.422 ( -5.892 -3.838 21.652) 22.765 12.291 ( 0.671 1.692 -6.628) 6.874 12.825 ( -1.292 0.434 13.339) 13.408 14.095 ( 0.322 -0.358 -9.233) 9.246 15.132 ( 10.661 -7.503 47.870) 49.614 15.333 ( 12.192 3.173 23.798) 26.927 18.168 ( -10.261 1.727 -2.563) 10.717 18.488 ( -10.795 -5.558 -10.707) 16.188 19.163 ( -3.059 17.579 3.909) 18.267 19.749 ( -2.868 0.757 -13.199) 13.528 23.494 ( 0.476 -3.158 -1.821) 3.676 23.686 ( 1.091 -5.271 -5.204) 7.487 ======================= Grid point 316 (147/251) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( 2.760 0.680 14.337) 14.616 2.656 ( -7.790 0.851 0.450) 7.849 2.738 ( -3.738 -0.875 -2.076) 4.364 3.054 ( 2.490 -1.064 -3.063) 4.088 3.280 ( -5.268 0.187 -0.909) 5.349 3.452 ( 5.580 -5.773 -2.253) 8.339 3.790 ( -2.743 -6.326 7.127) 9.917 3.888 ( -3.981 0.247 15.160) 15.676 4.312 ( 1.175 9.134 -6.830) 11.466 4.557 ( -0.277 -0.867 -9.558) 9.601 4.714 ( 2.053 -2.615 2.558) 4.195 5.523 ( -2.007 2.324 -5.205) 6.043 5.977 ( 5.010 0.627 20.550) 21.161 6.537 ( -5.250 9.670 -0.014) 11.004 6.679 ( 2.287 -8.101 1.425) 8.538 7.250 ( 2.850 6.069 -5.122) 8.437 7.334 ( -15.894 0.344 11.603) 19.682 7.468 ( 0.063 -0.478 14.677) 14.685 7.678 ( 1.003 -3.035 1.867) 3.702 8.159 ( 1.407 1.706 12.076) 12.277 8.270 ( 0.239 -1.070 6.646) 6.735 8.701 ( 4.384 -4.834 6.795) 9.421 9.735 ( 0.400 2.751 -9.249) 9.658 10.289 ( 5.069 -0.095 -37.193) 37.537 11.398 ( -6.581 -4.804 20.740) 22.283 12.299 ( 2.928 0.232 -6.983) 7.576 12.851 ( 0.282 -0.547 16.089) 16.101 14.044 ( -3.789 -0.376 -10.297) 10.978 15.434 ( 2.999 3.696 20.364) 20.913 15.629 ( 15.381 -15.424 55.618) 59.731 18.036 ( -1.709 0.741 -3.078) 3.597 18.255 ( -17.700 -4.344 -16.787) 24.778 19.022 ( 0.733 11.187 2.126) 11.411 19.730 ( 4.018 0.782 -10.426) 11.200 23.506 ( 1.899 4.038 -2.289) 5.016 23.731 ( 1.602 -1.686 -4.937) 5.457 ======================= Grid point 317 (148/251) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.480 ( -5.750 2.122 12.314) 13.756 2.533 ( -7.453 -1.568 4.645) 8.921 2.709 ( 0.783 -1.187 1.406) 2.000 3.112 ( 4.613 0.774 -3.111) 5.617 3.134 ( -9.886 0.055 -0.285) 9.890 3.621 ( 6.340 -5.572 -6.151) 10.444 3.730 ( -6.120 4.648 2.354) 8.037 3.839 ( -7.334 -4.034 13.532) 15.911 4.195 ( -3.342 7.752 -1.693) 8.610 4.441 ( -3.902 6.345 -5.480) 9.247 4.806 ( 3.485 1.030 6.029) 7.040 5.510 ( 3.871 0.368 -7.117) 8.110 6.135 ( 8.076 4.769 16.357) 18.855 6.394 ( -2.197 2.326 2.438) 4.022 6.827 ( 2.043 -11.783 2.374) 12.192 7.068 ( -16.223 -0.570 13.419) 21.061 7.213 ( 1.077 5.839 -5.864) 8.346 7.449 ( -4.627 1.099 12.174) 13.070 7.726 ( -0.372 -4.874 1.429) 5.092 8.196 ( -0.221 -0.360 9.840) 9.849 8.286 ( 0.098 1.408 8.690) 8.804 8.839 ( 3.374 -6.292 6.733) 9.814 9.666 ( -3.306 2.203 -9.959) 10.722 10.294 ( 4.949 0.177 -37.292) 37.620 11.375 ( -6.220 -4.735 21.332) 22.720 12.352 ( 4.117 -1.332 -7.487) 8.648 12.902 ( 0.040 -1.145 17.719) 17.756 13.934 ( -6.645 -0.274 -8.658) 10.917 15.356 ( -9.616 3.751 10.589) 14.787 16.296 ( 22.897 -29.234 53.763) 65.341 17.889 ( -20.165 -1.110 -16.163) 25.867 18.107 ( 8.147 -0.063 -2.097) 8.413 18.968 ( 1.463 6.604 -0.163) 6.766 19.813 ( 8.406 1.444 -6.669) 10.827 23.476 ( 3.128 10.881 -2.570) 11.610 23.748 ( 1.799 2.101 -5.361) 6.033 ======================= Grid point 318 (149/251) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( -13.543 1.501 9.938) 16.865 2.421 ( -9.788 -0.734 9.266) 13.499 2.737 ( -2.657 0.262 6.436) 6.968 2.946 ( -7.594 4.445 -2.505) 9.148 3.190 ( 5.319 0.583 -2.873) 6.074 3.509 ( -12.975 7.003 2.914) 15.029 3.621 ( -6.808 -2.016 -6.613) 9.703 3.867 ( 5.714 -1.447 1.546) 6.094 4.106 ( -1.028 2.558 6.800) 7.337 4.335 ( -0.018 7.253 -3.403) 8.012 4.859 ( 3.228 3.150 15.123) 15.781 5.614 ( 9.068 -1.358 -7.294) 11.716 6.122 ( -3.148 5.820 3.823) 7.641 6.531 ( 11.590 -3.151 14.958) 19.184 6.765 ( -15.390 -2.404 11.011) 19.075 7.036 ( 1.634 -8.958 2.029) 9.329 7.164 ( 0.038 4.767 -5.633) 7.380 7.380 ( -5.025 -1.187 12.625) 13.640 7.754 ( -2.784 -6.592 1.805) 7.380 8.173 ( -4.295 0.855 6.965) 8.227 8.282 ( -1.053 2.879 8.863) 9.379 8.949 ( 1.060 -5.735 7.235) 9.293 9.544 ( -5.492 1.936 -11.591) 12.972 10.294 ( 4.642 0.556 -37.043) 37.337 11.365 ( -4.991 -3.882 22.982) 23.836 12.422 ( 3.739 -2.352 -7.916) 9.065 12.938 ( -1.686 -0.912 18.176) 18.277 13.791 ( -8.183 -0.273 -4.946) 9.566 15.142 ( -12.060 2.037 1.309) 12.300 16.995 ( -4.951 -39.502 -7.001) 40.422 17.672 ( 11.342 -3.000 30.059) 32.268 18.298 ( 13.122 0.454 2.045) 13.288 18.939 ( 0.677 3.707 -1.172) 3.947 19.955 ( 10.822 2.183 -2.792) 11.387 23.403 ( 3.726 17.220 -2.493) 17.794 23.733 ( 1.558 4.838 -6.247) 8.053 ======================= Grid point 319 (150/251) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -24.613 -1.512 6.383) 25.472 2.223 ( -12.550 5.362 14.685) 20.047 2.516 ( -17.556 10.509 7.707) 21.865 2.845 ( -0.531 2.975 -2.454) 3.893 3.239 ( -0.633 0.578 1.493) 1.722 3.293 ( -2.662 2.918 0.710) 4.013 3.577 ( 2.553 -0.716 -4.336) 5.082 3.956 ( 3.430 0.962 1.423) 3.836 4.136 ( 1.654 -2.946 3.572) 4.916 4.285 ( 1.838 5.569 -3.784) 6.979 4.943 ( 4.243 2.638 25.791) 26.271 5.801 ( 11.545 -2.304 -4.618) 12.646 6.027 ( -3.319 2.157 1.621) 4.277 6.561 ( -11.995 -1.100 11.221) 16.463 6.817 ( 13.374 -2.448 15.908) 20.927 7.058 ( -6.069 0.508 -0.834) 6.147 7.111 ( -0.360 -0.095 -5.595) 5.607 7.407 ( 0.547 -6.967 12.612) 14.419 7.758 ( -5.201 -8.054 2.529) 9.916 8.073 ( -6.523 3.576 7.804) 10.781 8.221 ( -4.262 3.546 4.890) 7.393 9.001 ( -1.734 -2.730 8.872) 9.443 9.414 ( -4.032 0.537 -13.788) 14.376 10.283 ( 4.097 0.859 -36.830) 37.067 11.372 ( -3.591 -2.514 24.791) 25.176 12.480 ( 2.219 -2.329 -7.944) 8.571 12.940 ( -2.953 -0.331 17.651) 17.899 13.651 ( -7.016 -0.451 -0.485) 7.047 14.941 ( -8.557 0.779 -5.938) 10.444 16.698 ( -32.996 -14.106 -41.185) 54.625 18.328 ( 14.894 -11.285 12.865) 22.687 18.703 ( 29.195 -15.794 18.020) 37.769 18.955 ( 7.426 -6.572 12.437) 15.906 20.122 ( 11.273 3.613 1.025) 11.882 23.280 ( 2.954 21.753 -1.187) 21.985 23.690 ( 0.762 5.535 -7.430) 9.297 ======================= Grid point 320 (151/251) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -29.514 1.091 7.764) 30.538 2.005 ( -9.297 5.488 5.942) 12.323 2.125 ( -16.101 9.215 19.805) 27.137 2.829 ( 1.084 1.258 -2.215) 2.768 3.248 ( 1.905 -0.907 7.515) 7.806 3.278 ( 1.413 2.395 -3.709) 4.636 3.658 ( 3.981 -1.010 4.589) 6.158 3.994 ( 1.823 0.514 0.687) 2.015 4.147 ( -4.199 -1.158 0.641) 4.402 4.314 ( 7.187 1.243 -12.182) 14.199 5.052 ( 1.843 1.629 35.985) 36.068 5.947 ( 0.500 -3.113 3.733) 4.887 6.077 ( 14.012 1.868 -1.606) 14.227 6.423 ( -7.681 -0.867 9.222) 12.033 6.863 ( -10.657 0.804 -5.056) 11.823 7.081 ( -2.269 -1.164 -5.206) 5.797 7.127 ( 12.687 -0.122 18.820) 22.697 7.514 ( 0.275 -5.730 8.997) 10.670 7.728 ( -6.521 -7.495 4.314) 10.831 7.921 ( -8.930 5.244 10.625) 14.838 8.116 ( -3.575 3.237 0.172) 4.826 8.979 ( -4.055 -0.076 9.088) 9.952 9.358 ( 0.980 -0.937 -14.494) 14.557 10.262 ( 3.744 0.699 -36.590) 36.788 11.392 ( -2.547 -1.078 26.072) 26.218 12.504 ( 0.568 -1.326 -7.404) 7.543 12.929 ( -2.463 -0.081 16.319) 16.504 13.573 ( -2.518 -0.514 3.179) 4.088 14.811 ( -4.049 0.179 -9.856) 10.657 16.118 ( -33.420 -5.829 -36.166) 49.587 18.514 ( 5.047 -1.154 0.137) 5.179 18.839 ( -0.405 1.259 -6.261) 6.399 19.818 ( 30.332 -36.741 19.930) 51.644 20.269 ( 11.392 8.047 3.354) 14.345 23.119 ( 0.690 19.003 2.894) 19.235 23.632 ( -0.356 3.646 -8.600) 9.348 ======================= Grid point 322 (152/251) ======================= q-point: ( 0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 5.232 0.000 25.709) 26.236 2.122 ( 37.648 0.000 4.867) 37.961 2.355 ( 19.259 0.000 -3.355) 19.549 2.901 ( 1.991 0.000 -1.338) 2.399 3.120 ( -4.941 -0.000 -8.691) 9.998 3.563 ( -0.411 -0.000 17.715) 17.720 3.647 ( -10.714 -0.000 -4.796) 11.739 3.715 ( 0.564 0.000 8.225) 8.244 4.038 ( -1.985 -0.000 2.976) 3.577 4.551 ( 4.974 0.000 -16.233) 16.978 4.931 ( -8.058 -0.000 17.494) 19.260 6.028 ( -13.859 -0.000 -5.268) 14.826 6.112 ( -10.786 -0.000 22.861) 25.278 6.743 ( -5.927 -0.000 -11.975) 13.362 6.779 ( 21.811 0.000 13.488) 25.644 6.920 ( 10.368 0.000 -2.191) 10.597 7.376 ( 0.077 0.000 2.701) 2.702 7.385 ( -5.777 -0.000 21.973) 22.720 7.652 ( 1.332 0.000 15.792) 15.848 7.862 ( 0.477 0.000 7.321) 7.337 8.137 ( 2.801 0.000 -4.717) 5.486 8.794 ( -4.696 -0.000 7.227) 8.619 9.628 ( 10.070 0.000 -15.047) 18.106 10.250 ( 4.988 0.000 -34.478) 34.837 11.440 ( -3.806 -0.000 25.755) 26.034 12.419 ( -2.108 -0.000 -6.589) 6.918 12.914 ( -3.429 -0.000 8.829) 9.472 13.915 ( 10.400 0.000 2.267) 10.645 14.832 ( -9.440 -0.000 21.776) 23.734 14.872 ( 9.495 0.000 3.255) 10.037 18.531 ( -4.788 -0.000 0.161) 4.791 18.643 ( -4.960 -0.000 -6.280) 8.003 19.993 ( -10.972 -0.000 -3.101) 11.402 20.296 ( -17.749 -0.000 -4.137) 18.225 23.113 ( 2.732 0.000 7.282) 7.778 23.530 ( 1.220 0.000 -8.911) 8.995 ======================= Grid point 323 (153/251) ======================= q-point: ( 0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( 9.842 -1.814 22.863) 24.958 2.647 ( 14.822 1.305 -5.025) 15.705 2.740 ( 24.669 -4.661 -2.899) 25.273 2.956 ( 5.499 -0.681 1.281) 5.687 3.011 ( -5.845 -1.255 -7.678) 9.731 3.479 ( -5.407 1.232 -0.095) 5.547 3.554 ( -6.183 -3.426 20.117) 21.323 3.803 ( 6.653 -3.808 0.412) 7.676 3.997 ( -3.228 0.383 4.934) 5.908 4.589 ( 4.482 2.814 -12.008) 13.122 4.844 ( -5.127 -0.193 5.398) 7.447 5.796 ( -11.350 -0.875 -7.248) 13.495 5.975 ( -11.125 -0.528 28.332) 30.443 6.633 ( -3.641 -0.101 -9.420) 10.099 6.994 ( 1.633 5.748 -1.793) 6.239 7.108 ( 10.707 -0.830 1.581) 10.855 7.393 ( 5.473 7.253 27.481) 28.944 7.448 ( 6.481 -1.670 2.629) 7.190 7.671 ( -3.562 -0.132 15.587) 15.989 7.903 ( -0.987 -7.498 8.615) 11.464 8.168 ( 1.980 0.171 -3.411) 3.948 8.723 ( -4.029 2.232 7.379) 8.698 9.750 ( 8.338 1.824 -15.095) 17.341 10.263 ( 4.965 -0.230 -34.482) 34.838 11.412 ( -6.107 -0.713 24.878) 25.627 12.363 ( -1.955 0.942 -6.216) 6.584 12.863 ( -3.955 0.424 9.805) 10.581 14.055 ( 5.704 0.009 -5.337) 7.812 14.825 ( -0.000 -1.297 38.714) 38.736 15.108 ( 15.078 1.022 15.876) 21.919 18.401 ( -9.840 0.825 0.032) 9.874 18.539 ( -6.418 -1.799 -6.958) 9.635 19.757 ( -8.939 10.652 -5.480) 14.947 19.952 ( -16.379 1.903 -6.485) 17.718 23.229 ( 3.564 -7.982 5.642) 10.404 23.562 ( 3.746 -1.452 -8.607) 9.499 ======================= Grid point 324 (154/251) ======================= q-point: ( 0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 10.593 0.840 18.099) 20.988 2.758 ( 1.518 0.048 -6.107) 6.293 2.856 ( -8.425 1.829 -4.352) 9.657 2.940 ( 2.608 -3.974 -4.322) 6.424 3.198 ( 11.205 -0.571 1.552) 11.327 3.446 ( 1.809 3.581 -0.750) 4.082 3.541 ( -5.063 -7.620 20.918) 22.832 3.947 ( -1.121 0.964 6.841) 6.999 4.056 ( 13.052 -11.036 -2.228) 17.237 4.595 ( 3.704 6.722 -11.444) 13.779 4.772 ( -3.865 0.473 -0.798) 3.975 5.627 ( -7.833 -1.987 -7.147) 10.788 5.892 ( -5.706 -1.829 27.981) 28.615 6.583 ( -0.883 -0.877 -5.631) 5.767 6.890 ( -3.849 8.513 -2.844) 9.766 7.223 ( 1.767 -4.462 -0.348) 4.812 7.483 ( 7.302 11.010 16.302) 20.983 7.554 ( -4.077 2.023 9.786) 10.793 7.609 ( -1.831 -1.238 10.412) 10.644 8.027 ( 2.050 -11.632 13.925) 18.259 8.194 ( 1.828 0.875 0.997) 2.259 8.658 ( -1.466 3.611 6.309) 7.416 9.806 ( 3.927 2.842 -13.053) 13.924 10.276 ( 5.129 -0.212 -35.972) 36.336 11.359 ( -7.592 -2.707 23.530) 24.873 12.316 ( -0.649 1.014 -5.917) 6.038 12.829 ( -2.296 0.079 13.144) 13.343 14.089 ( 0.268 -0.246 -9.923) 9.930 15.007 ( 6.072 -5.327 49.418) 50.074 15.393 ( 12.864 2.712 23.246) 26.706 18.195 ( -11.277 1.124 -2.381) 11.580 18.409 ( -9.846 -3.035 -9.085) 13.737 19.472 ( -8.239 15.063 -1.804) 17.263 19.749 ( -4.214 -1.082 -12.539) 13.272 23.378 ( 4.018 -7.349 3.246) 8.983 23.641 ( 5.995 -0.767 -8.242) 10.221 ======================= Grid point 325 (155/251) ======================= q-point: ( 0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 6.617 4.596 14.423) 16.521 2.667 ( -9.173 0.560 0.401) 9.198 2.740 ( -2.075 1.147 -5.011) 5.543 3.013 ( 3.003 -3.196 -2.906) 5.261 3.310 ( 1.176 0.650 1.195) 1.798 3.410 ( 1.572 3.363 -0.648) 3.769 3.607 ( -3.334 -10.492 16.180) 19.570 3.936 ( -0.557 2.586 8.388) 8.795 4.388 ( 10.291 -7.892 -2.999) 13.311 4.541 ( 1.740 6.879 -12.692) 14.540 4.699 ( -2.583 0.914 0.074) 2.741 5.528 ( -4.145 -1.971 -5.526) 7.183 5.957 ( 4.371 -2.588 23.424) 23.968 6.588 ( 0.871 -2.188 -2.948) 3.773 6.721 ( -5.189 9.677 -2.479) 11.257 7.274 ( -0.856 -5.014 -2.996) 5.903 7.352 ( -16.128 1.313 13.240) 20.908 7.501 ( 1.312 6.960 12.535) 14.398 7.649 ( 1.033 -0.077 5.038) 5.143 8.182 ( 1.685 -5.628 14.882) 16.000 8.210 ( -0.566 0.578 7.510) 7.554 8.664 ( 3.387 0.489 4.073) 5.320 9.781 ( -0.937 2.179 -10.646) 10.907 10.289 ( 5.430 -0.002 -37.473) 37.864 11.310 ( -7.485 -4.520 22.265) 23.921 12.302 ( 1.165 0.121 -5.989) 6.103 12.840 ( -0.626 -0.613 16.318) 16.342 14.037 ( -3.698 -0.356 -10.740) 11.364 15.335 ( 9.564 -11.699 53.903) 55.981 15.540 ( 0.563 3.429 23.021) 23.282 18.047 ( -2.650 0.391 -3.504) 4.410 18.193 ( -15.458 -2.496 -11.935) 19.688 19.236 ( -4.133 11.439 -2.100) 12.342 19.738 ( 4.437 0.007 -11.418) 12.250 23.506 ( 4.683 -3.060 0.884) 5.663 23.737 ( 7.487 1.764 -8.129) 11.192 ======================= Grid point 326 (156/251) ======================= q-point: (-0.50 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( -8.622 -1.725 3.465) 9.451 2.582 ( -0.958 8.506 8.860) 12.319 2.709 ( 1.879 1.160 2.907) 3.650 3.075 ( 0.866 -1.964 -0.506) 2.205 3.231 ( -1.567 7.360 -0.348) 7.533 3.500 ( 3.633 -5.963 -5.332) 8.785 3.668 ( -3.194 -9.070 12.449) 15.731 3.887 ( -3.492 5.668 10.558) 12.482 4.340 ( -6.056 7.929 -4.054) 10.770 4.532 ( 0.356 3.806 -12.799) 13.358 4.779 ( 6.528 -4.101 7.297) 10.615 5.499 ( 0.314 -1.961 -3.839) 4.323 6.169 ( 11.927 -0.830 19.547) 22.914 6.514 ( -6.429 8.960 -3.933) 11.708 6.658 ( 2.051 -5.187 1.165) 5.698 7.069 ( -17.362 0.797 14.455) 22.606 7.265 ( -2.743 -1.677 -5.950) 6.763 7.474 ( -3.211 1.833 11.264) 11.856 7.664 ( -0.534 -0.793 2.732) 2.894 8.191 ( -3.256 -0.010 12.727) 13.137 8.261 ( -0.084 -3.416 10.427) 10.972 8.760 ( 4.628 -2.483 3.776) 6.468 9.696 ( -4.566 0.974 -9.473) 10.561 10.299 ( 5.327 0.261 -37.735) 38.110 11.282 ( -6.241 -5.100 22.041) 23.469 12.327 ( 2.398 -1.349 -6.443) 7.006 12.880 ( -0.318 -1.154 18.274) 18.313 13.928 ( -6.606 -0.359 -8.900) 11.090 15.429 ( -11.078 4.031 12.455) 17.149 15.797 ( 9.265 -24.009 53.119) 59.025 17.884 ( -16.718 0.258 -9.546) 19.254 18.101 ( 8.239 -0.472 -1.201) 8.340 19.103 ( -1.228 7.705 -3.034) 8.372 19.831 ( 8.746 0.645 -8.841) 12.453 23.595 ( 5.193 2.268 -1.358) 5.827 23.823 ( 8.200 5.665 -8.526) 13.116 ======================= Grid point 327 (157/251) ======================= q-point: (-0.40 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -11.734 0.935 3.898) 12.400 2.459 ( -4.576 7.277 8.470) 12.068 2.762 ( 2.636 2.262 8.549) 9.228 3.021 ( -4.745 3.910 0.877) 6.210 3.227 ( 6.457 3.675 -3.299) 8.129 3.500 ( -10.127 -4.628 0.046) 11.135 3.679 ( -4.716 2.715 3.732) 6.599 3.836 ( 3.487 -0.375 6.922) 7.760 4.168 ( -5.131 4.474 -0.930) 6.870 4.463 ( 0.860 6.673 -11.453) 13.283 4.908 ( 4.083 1.202 17.035) 17.558 5.572 ( 6.316 -3.373 -3.335) 7.899 6.272 ( -5.708 10.378 3.346) 12.307 6.483 ( 12.928 -2.294 13.736) 19.002 6.704 ( -8.176 -4.097 5.469) 10.655 6.885 ( -4.121 -5.856 7.784) 10.577 7.207 ( -3.480 -1.003 -5.638) 6.701 7.397 ( -5.610 2.539 10.498) 12.171 7.657 ( -3.129 -3.476 1.043) 4.792 8.151 ( -5.792 -2.391 10.875) 12.551 8.298 ( -0.846 -1.395 9.073) 9.219 8.863 ( 3.027 -3.475 3.892) 6.032 9.568 ( -6.905 0.480 -9.315) 11.605 10.304 ( 4.993 0.470 -37.173) 37.510 11.283 ( -4.434 -4.725 23.000) 23.896 12.375 ( 2.483 -2.728 -7.032) 7.941 12.918 ( -1.367 -1.113 18.868) 18.951 13.784 ( -8.398 -0.413 -4.960) 9.762 15.186 ( -13.578 2.653 2.361) 14.035 16.256 ( -3.812 -37.681 25.501) 45.659 17.670 ( -2.034 1.195 12.731) 12.948 18.294 ( 12.003 -0.643 1.916) 12.172 19.023 ( -0.803 5.143 -3.578) 6.317 19.978 ( 10.507 0.564 -6.410) 12.321 23.635 ( 5.001 7.378 -3.434) 9.552 23.875 ( 8.339 10.352 -9.511) 16.345 ======================= Grid point 328 (158/251) ======================= q-point: (-0.30 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -20.095 5.945 5.126) 21.574 2.343 ( -4.431 8.060 9.624) 13.312 2.716 ( -7.104 10.076 10.498) 16.192 2.914 ( -1.945 4.691 -0.734) 5.131 3.262 ( -5.007 1.634 2.716) 5.926 3.346 ( 1.107 2.726 -2.003) 3.559 3.593 ( -0.465 2.548 1.322) 2.908 3.948 ( 3.948 -2.294 1.681) 4.865 4.094 ( -1.996 -1.283 2.168) 3.215 4.399 ( 1.937 6.864 -11.771) 13.763 5.003 ( 4.106 3.399 28.909) 29.397 5.746 ( 9.458 -3.738 -1.670) 10.306 6.093 ( -4.980 5.399 2.064) 7.630 6.540 ( -11.304 -0.816 8.636) 14.249 6.781 ( 14.380 -1.413 15.167) 20.948 6.962 ( -1.096 -8.933 0.476) 9.012 7.136 ( -4.499 -0.455 -6.046) 7.550 7.318 ( -3.804 -1.075 12.053) 12.685 7.630 ( -4.734 -5.697 1.484) 7.554 8.079 ( -7.213 -1.739 9.207) 11.825 8.281 ( -3.119 1.613 5.336) 6.388 8.944 ( 1.368 -3.273 5.339) 6.410 9.421 ( -6.708 -0.077 -10.261) 12.259 10.300 ( 4.405 0.831 -36.570) 36.843 11.312 ( -2.783 -3.782 24.488) 24.934 12.425 ( 1.671 -3.494 -7.411) 8.362 12.932 ( -2.578 -0.555 18.248) 18.437 13.640 ( -7.607 -0.759 -0.233) 7.649 14.961 ( -9.437 1.273 -5.533) 11.013 16.283 ( -28.020 -30.002 -19.145) 45.297 18.000 ( 20.749 -17.174 41.617) 49.572 18.524 ( 12.567 -3.905 6.855) 14.838 18.961 ( -1.137 3.127 -2.825) 4.365 20.147 ( 10.194 -0.278 -4.085) 10.986 23.617 ( 4.045 11.998 -5.298) 13.725 23.875 ( 7.229 14.953 -10.827) 19.826 ======================= Grid point 329 (159/251) ======================= q-point: (-0.20 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( -21.790 9.364 9.247) 25.456 2.183 ( -4.226 13.207 4.741) 14.655 2.390 ( -14.601 17.872 14.476) 27.242 2.868 ( 0.398 2.820 -0.885) 2.982 3.233 ( 1.848 -0.756 8.769) 8.994 3.348 ( 1.953 5.068 -5.906) 8.023 3.636 ( 4.088 -0.873 3.987) 5.776 3.995 ( -0.007 -0.879 3.149) 3.269 4.100 ( -2.383 -3.893 0.563) 4.600 4.367 ( 4.590 4.748 -15.711) 17.042 5.105 ( 1.914 3.851 38.684) 38.922 5.880 ( 1.530 -3.300 4.088) 5.471 6.110 ( 11.320 1.164 -0.807) 11.408 6.397 ( -8.354 -1.675 7.572) 11.399 6.882 ( -8.474 0.616 -4.081) 9.426 7.040 ( -2.073 -3.010 -4.264) 5.616 7.108 ( 9.527 -2.814 15.016) 18.005 7.358 ( -1.373 -8.513 12.474) 15.164 7.605 ( -5.097 -5.822 3.617) 8.541 7.978 ( -6.719 1.152 8.327) 10.762 8.194 ( -3.881 3.835 0.349) 5.467 8.975 ( -2.092 -0.500 8.618) 8.882 9.327 ( -1.427 -2.314 -12.831) 13.115 10.282 ( 3.872 1.219 -36.229) 36.456 11.357 ( -1.841 -2.525 25.731) 25.920 12.459 ( 0.513 -3.344 -7.302) 8.048 12.927 ( -2.495 -0.216 16.605) 16.793 13.555 ( -3.151 -1.308 3.640) 4.989 14.817 ( -4.424 0.440 -9.858) 10.814 15.904 ( -31.793 -17.443 -26.390) 44.850 18.457 ( 7.372 -6.475 8.157) 12.760 18.874 ( 2.521 1.138 -5.896) 6.513 19.076 ( 17.894 -35.015 34.777) 52.494 20.306 ( 7.608 -1.641 -2.255) 8.103 23.531 ( 2.830 17.654 -6.585) 19.054 23.799 ( 3.309 16.599 -11.092) 20.237 ======================= Grid point 330 (160/251) ======================= q-point: (-0.10 0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -1.491 11.302 15.172) 18.977 1.987 ( -3.361 14.144 -4.611) 15.251 2.102 ( -4.137 13.777 24.866) 28.727 2.863 ( 1.608 1.926 -1.672) 3.015 3.291 ( 0.170 3.425 -6.489) 7.340 3.346 ( 5.268 0.243 9.792) 11.122 3.708 ( 0.647 -0.750 10.822) 10.868 3.986 ( -3.969 -1.030 -1.293) 4.300 4.060 ( -3.236 -1.109 1.809) 3.870 4.409 ( 6.874 0.392 -20.349) 21.483 5.128 ( -5.641 3.214 38.662) 39.204 6.015 ( 10.252 -4.367 9.781) 14.827 6.282 ( -2.538 -1.846 5.595) 6.415 6.361 ( 8.172 1.048 6.652) 10.590 6.674 ( -9.348 1.673 -9.237) 13.247 6.980 ( -5.223 -3.135 -8.540) 10.490 7.352 ( 7.823 -3.998 17.324) 19.424 7.417 ( -4.124 -7.377 13.288) 15.747 7.567 ( -6.600 -4.940 7.717) 11.292 7.879 ( -2.222 5.571 7.096) 9.291 8.113 ( -0.691 3.174 -3.327) 4.650 8.925 ( -4.864 0.523 8.658) 9.944 9.363 ( 5.246 -3.140 -13.379) 14.710 10.259 ( 3.935 1.206 -35.917) 36.152 11.401 ( -1.676 -1.313 26.310) 26.396 12.471 ( -0.454 -2.500 -6.913) 7.365 12.927 ( -1.567 -0.374 14.135) 14.226 13.581 ( 3.501 -1.423 6.168) 7.233 14.752 ( -0.339 -0.032 -10.352) 10.357 15.448 ( -27.871 -8.585 -17.294) 33.906 18.561 ( 1.799 -1.544 0.444) 2.412 18.822 ( -2.034 2.741 -5.962) 6.869 19.797 ( 8.592 -41.737 20.635) 47.345 20.424 ( 3.029 -5.415 -2.180) 6.577 23.356 ( 0.791 24.769 -4.297) 25.151 23.664 ( -0.956 10.456 -9.390) 14.086 ======================= Grid point 333 (161/251) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 13.200 0.000 19.216) 23.313 2.757 ( -0.123 -0.000 -7.994) 7.995 2.879 ( -6.914 -0.000 -5.083) 8.581 2.899 ( 2.883 0.000 -3.381) 4.444 3.192 ( 12.279 0.000 1.645) 12.388 3.466 ( -6.541 -0.000 23.320) 24.220 3.505 ( 6.173 0.000 1.845) 6.443 3.925 ( 11.161 0.000 -4.945) 12.207 3.957 ( -1.990 -0.000 5.274) 5.637 4.666 ( 4.587 0.000 -5.431) 7.109 4.780 ( -2.589 -0.000 -5.140) 5.755 5.595 ( -8.505 -0.000 -10.688) 13.660 5.876 ( -6.910 -0.000 32.118) 32.853 6.572 ( -0.673 -0.000 -8.627) 8.654 6.997 ( -3.128 -0.000 -5.535) 6.358 7.148 ( -1.561 -0.000 2.761) 3.171 7.570 ( 6.844 0.000 4.064) 7.960 7.579 ( -10.862 -0.000 15.220) 18.698 7.702 ( 12.616 0.000 27.241) 30.021 7.829 ( -3.589 -0.000 6.328) 7.275 8.203 ( 2.422 0.000 0.539) 2.482 8.697 ( -1.977 -0.000 6.619) 6.908 9.834 ( 3.674 0.000 -14.984) 15.428 10.273 ( 5.178 0.000 -35.810) 36.183 11.333 ( -8.361 -0.000 24.472) 25.861 12.326 ( -1.163 -0.000 -5.689) 5.806 12.830 ( -2.695 -0.000 13.118) 13.392 14.087 ( 0.253 0.000 -10.196) 10.199 14.956 ( 4.500 0.000 49.415) 49.620 15.419 ( 13.092 0.000 23.817) 27.178 18.205 ( -11.714 -0.000 -2.246) 11.928 18.381 ( -9.400 -0.000 -8.646) 12.771 19.652 ( -15.257 -0.000 -5.377) 16.177 19.706 ( -0.559 -0.000 -11.558) 11.571 23.301 ( 6.509 0.000 5.818) 8.730 23.635 ( 7.383 0.000 -9.364) 11.925 ======================= Grid point 334 (162/251) ======================= q-point: ( 0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 0.801 0.685 3.889) 4.029 2.699 ( 1.249 2.082 6.521) 6.959 2.780 ( -0.684 3.169 -4.620) 5.643 2.947 ( 2.692 -3.624 -2.700) 5.260 3.283 ( -1.281 -2.015 9.733) 10.021 3.444 ( -3.383 -3.220 11.673) 12.573 3.567 ( 2.008 6.513 4.954) 8.426 3.977 ( 3.330 2.386 5.259) 6.667 4.178 ( 12.103 -10.714 -5.782) 17.167 4.676 ( -2.568 3.535 5.101) 6.717 4.736 ( 1.879 3.388 -14.314) 14.829 5.468 ( -5.050 -3.206 -10.681) 12.242 5.911 ( 3.340 -1.644 27.085) 27.339 6.571 ( 1.928 -0.286 -6.516) 6.802 6.876 ( -4.899 6.712 -5.427) 9.925 7.140 ( -3.768 -6.972 1.822) 8.131 7.370 ( -16.291 0.503 15.563) 22.536 7.642 ( -2.269 1.501 9.237) 9.630 7.714 ( 3.309 11.641 6.707) 13.836 7.994 ( 2.704 -12.129 15.384) 19.776 8.247 ( 1.446 1.312 9.146) 9.352 8.691 ( 1.194 1.448 4.022) 4.438 9.808 ( -2.409 0.725 -13.291) 13.527 10.288 ( 5.681 -0.037 -37.700) 38.126 11.249 ( -7.873 -1.830 23.713) 25.052 12.303 ( 0.077 0.019 -5.462) 5.463 12.831 ( -1.115 -0.299 16.617) 16.657 14.032 ( -3.642 -0.148 -11.097) 11.681 15.182 ( 5.768 -4.449 54.899) 55.380 15.592 ( 0.266 1.612 23.182) 23.239 18.051 ( -3.417 0.119 -3.758) 5.081 18.163 ( -13.911 -0.812 -9.865) 17.073 19.398 ( -8.900 5.219 -5.659) 11.768 19.733 ( 5.482 -0.362 -11.422) 12.675 23.449 ( 7.679 -2.104 3.751) 8.801 23.764 ( 10.080 0.839 -10.146) 14.327 ======================= Grid point 335 (163/251) ======================= q-point: (-0.60 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -8.604 -1.244 2.025) 8.927 2.725 ( 0.216 3.213 -4.945) 5.901 2.782 ( 5.608 9.708 12.132) 16.519 3.041 ( 3.765 -2.111 -0.129) 4.318 3.310 ( -1.164 -2.841 9.424) 9.911 3.429 ( -1.900 -2.467 -0.697) 3.191 3.543 ( -0.745 0.021 10.251) 10.278 3.989 ( 0.396 6.696 5.662) 8.778 4.387 ( -2.243 -6.296 0.334) 6.692 4.610 ( 2.418 5.060 -2.189) 6.020 4.720 ( 3.712 0.609 -6.254) 7.298 5.432 ( -1.187 -5.004 -7.143) 8.802 6.128 ( 12.332 -2.784 20.045) 23.699 6.595 ( 1.709 1.095 -6.316) 6.634 6.709 ( -4.726 7.865 -2.053) 9.403 7.087 ( -17.280 0.084 16.387) 23.815 7.148 ( -5.745 -8.281 -2.385) 10.357 7.541 ( -5.324 4.598 10.836) 12.919 7.707 ( 0.847 5.383 4.425) 7.020 8.108 ( -3.839 -9.056 10.166) 14.145 8.255 ( -1.230 2.354 16.316) 16.530 8.740 ( 4.151 -0.031 1.880) 4.557 9.698 ( -6.525 -0.569 -11.505) 13.239 10.303 ( 5.515 0.136 -38.336) 38.731 11.205 ( -5.587 -3.057 22.974) 23.841 12.306 ( 1.082 -0.883 -5.755) 5.922 12.862 ( -0.528 -0.751 18.944) 18.966 13.922 ( -6.556 -0.260 -9.238) 11.331 15.457 ( 2.609 -11.805 51.501) 52.901 15.494 ( -12.610 1.803 16.336) 20.716 17.890 ( -14.532 0.270 -6.682) 15.997 18.093 ( 7.938 -0.389 -1.122) 8.027 19.227 ( -4.329 5.298 -5.615) 8.851 19.839 ( 8.995 0.263 -10.047) 13.488 23.603 ( 7.654 -0.504 1.081) 7.747 23.912 ( 11.509 3.430 -11.155) 16.391 ======================= Grid point 336 (164/251) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -7.258 -0.271 6.343) 9.643 2.641 ( -1.729 10.651 -0.890) 10.827 2.821 ( 3.833 4.513 9.732) 11.391 3.082 ( 0.355 2.622 4.535) 5.251 3.311 ( 2.809 3.983 0.671) 4.920 3.413 ( -5.282 -4.301 -0.376) 6.821 3.618 ( 1.854 -6.579 6.973) 9.764 3.897 ( -4.595 5.909 9.075) 11.763 4.266 ( -7.242 5.223 1.855) 9.120 4.584 ( 2.868 7.021 -16.608) 18.257 4.871 ( 6.428 -5.283 12.648) 15.140 5.491 ( 4.095 -5.448 -2.812) 7.373 6.434 ( 13.155 -3.073 12.882) 18.667 6.471 ( -5.664 10.510 0.897) 11.972 6.656 ( -0.519 -0.037 1.044) 1.167 6.835 ( -12.504 -0.571 11.819) 17.215 7.117 ( -6.482 -8.254 -4.783) 11.534 7.449 ( -4.411 2.988 10.308) 11.603 7.652 ( -3.477 2.978 3.486) 5.755 8.086 ( -7.908 -5.580 11.936) 15.367 8.262 ( -0.911 -1.173 11.980) 12.072 8.820 ( 3.302 -1.497 1.779) 4.038 9.554 ( -8.543 -1.952 -10.015) 13.308 10.309 ( 5.019 0.173 -37.816) 38.148 11.209 ( -3.146 -3.176 22.993) 23.423 12.329 ( 1.409 -2.166 -6.377) 6.880 12.900 ( -1.062 -0.863 19.757) 19.804 13.777 ( -8.559 -0.381 -5.084) 9.962 15.232 ( -15.235 2.250 3.501) 15.793 15.696 ( -7.534 -23.269 38.365) 45.498 17.694 ( -5.049 1.194 8.296) 9.784 18.280 ( 11.565 -0.730 1.859) 11.736 19.113 ( -2.588 4.451 -5.525) 7.553 19.983 ( 9.963 0.149 -8.726) 13.245 23.716 ( 6.383 2.621 -1.464) 7.054 24.043 ( 11.830 6.978 -12.619) 18.652 ======================= Grid point 337 (165/251) ======================= q-point: (-0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -12.013 7.577 7.163) 15.907 2.518 ( 0.173 10.999 4.184) 11.769 2.855 ( 1.382 5.491 9.792) 11.311 3.029 ( -1.500 7.806 3.130) 8.543 3.283 ( -8.625 0.282 2.978) 9.129 3.387 ( 5.569 1.399 -1.325) 5.893 3.641 ( -3.060 1.535 6.916) 7.717 3.878 ( 1.928 -4.546 2.807) 5.680 4.116 ( -4.771 4.463 0.954) 6.602 4.529 ( 2.705 7.310 -17.000) 18.702 5.035 ( 4.724 -0.720 25.640) 26.082 5.662 ( 9.639 -5.438 0.148) 11.068 6.227 ( -8.594 9.083 1.699) 12.619 6.544 ( -10.101 1.404 6.161) 11.914 6.742 ( 10.666 -4.894 18.508) 21.915 6.810 ( 2.972 -4.912 -2.303) 6.185 7.059 ( -6.651 -6.824 -4.997) 10.760 7.360 ( -4.648 4.215 9.624) 11.489 7.568 ( -5.324 -0.849 3.604) 6.485 8.022 ( -7.271 -4.622 10.808) 13.822 8.275 ( -2.149 -1.552 7.470) 7.927 8.889 ( 2.226 -2.665 2.385) 4.213 9.401 ( -8.707 -2.326 -9.086) 12.798 10.309 ( 4.434 0.178 -36.903) 37.169 11.249 ( -1.301 -2.783 23.764) 23.962 12.362 ( 1.099 -3.226 -6.940) 7.732 12.921 ( -2.120 -0.521 19.095) 19.219 13.626 ( -8.246 -0.759 0.031) 8.281 14.985 ( -10.612 1.306 -4.992) 11.800 15.730 ( -21.883 -27.681 10.386) 36.783 17.801 ( 10.150 -5.941 32.915) 34.953 18.481 ( 9.408 -1.500 3.319) 10.088 19.026 ( -1.980 3.617 -5.177) 6.618 20.133 ( 8.785 -0.871 -7.658) 11.686 23.763 ( 3.979 5.784 -3.437) 7.817 24.130 ( 10.776 11.047 -14.745) 21.344 ======================= Grid point 338 (166/251) ======================= q-point: (-0.30 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -13.157 16.161 10.287) 23.240 2.445 ( 2.212 14.425 3.243) 14.950 2.715 ( -9.461 16.560 10.835) 21.935 2.934 ( -1.237 5.017 0.704) 5.215 3.219 ( 1.362 -0.859 9.628) 9.762 3.442 ( 2.685 4.192 -5.666) 7.542 3.633 ( 2.743 0.331 5.228) 5.913 3.953 ( -0.104 -4.228 0.744) 4.294 4.034 ( -3.417 -1.407 2.340) 4.374 4.477 ( 3.265 6.820 -17.999) 19.523 5.166 ( 2.548 2.053 38.046) 38.186 5.847 ( 3.979 -0.519 4.554) 6.070 6.118 ( 5.489 0.330 0.404) 5.514 6.378 ( -9.263 -0.085 4.934) 10.495 6.831 ( -5.264 -6.919 -2.412) 9.022 6.974 ( -6.772 -8.240 -5.246) 11.886 7.036 ( 9.978 0.419 13.246) 16.589 7.288 ( -2.020 0.489 11.502) 11.688 7.517 ( -3.979 -3.526 5.637) 7.749 7.970 ( -4.572 -2.135 8.316) 9.727 8.235 ( -4.019 0.801 2.153) 4.629 8.952 ( 0.654 -2.214 5.802) 6.244 9.277 ( -4.994 -3.252 -10.283) 11.885 10.298 ( 3.880 0.446 -36.238) 36.448 11.311 ( -0.422 -2.152 24.725) 24.822 12.392 ( 0.404 -3.778 -7.157) 8.103 12.922 ( -2.588 -0.277 17.116) 17.313 13.529 ( -4.050 -1.516 4.321) 6.113 14.826 ( -5.067 0.499 -9.816) 11.058 15.525 ( -26.857 -22.329 -5.527) 35.361 18.223 ( 13.295 -16.538 36.024) 41.809 18.666 ( 7.620 -8.010 10.081) 14.962 18.954 ( -1.651 3.245 -4.870) 6.080 20.260 ( 5.436 -2.728 -6.718) 9.063 23.736 ( 1.304 8.079 -4.735) 9.455 24.133 ( 6.994 15.825 -16.828) 24.136 ======================= Grid point 339 (167/251) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 1.448 19.505 14.918) 24.598 2.308 ( -1.152 19.722 -6.959) 20.945 2.417 ( -4.321 19.368 18.952) 27.440 2.904 ( 0.977 2.484 0.414) 2.701 3.332 ( 6.939 0.381 9.599) 11.850 3.396 ( -0.396 5.037 -5.261) 7.295 3.700 ( 1.965 -0.019 5.917) 6.234 3.953 ( -3.168 -2.602 -0.325) 4.113 4.010 ( -3.403 -3.705 3.491) 6.123 4.449 ( 4.311 4.112 -20.003) 20.871 5.203 ( -5.733 4.474 40.739) 41.383 5.932 ( 7.176 -3.728 8.932) 12.048 6.252 ( -7.145 -1.568 5.032) 8.879 6.352 ( 14.756 -2.244 2.679) 15.164 6.695 ( -11.499 -0.438 -5.120) 12.595 6.901 ( -5.701 -5.567 -8.866) 11.921 7.185 ( -1.591 -8.069 10.887) 13.644 7.368 ( 6.012 -0.939 19.694) 20.613 7.504 ( -3.022 -3.109 6.299) 7.647 7.945 ( -0.347 1.616 6.563) 6.768 8.156 ( -2.707 1.567 -3.309) 4.553 8.938 ( -4.990 0.459 9.012) 10.311 9.284 ( 4.067 -5.276 -11.972) 13.700 10.280 ( 3.783 0.834 -35.853) 36.061 11.375 ( -0.529 -1.347 25.339) 25.380 12.411 ( -0.440 -3.802 -7.027) 8.001 12.918 ( -2.239 -0.685 14.180) 14.372 13.547 ( 3.020 -2.129 7.143) 8.042 14.751 ( -0.892 -0.108 -10.755) 10.793 15.235 ( -23.343 -14.001 -4.467) 27.584 18.510 ( 2.943 -4.954 7.671) 9.594 18.881 ( -2.522 2.855 -3.627) 5.260 19.060 ( 9.532 -32.686 28.681) 44.518 20.330 ( -0.017 -4.881 -6.142) 7.845 23.648 ( -0.618 9.636 -5.680) 11.203 23.995 ( 0.433 20.628 -15.977) 26.095 ======================= Grid point 340 (168/251) ======================= q-point: (-0.10 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 22.708 13.579 13.470) 29.690 2.101 ( 0.356 16.525 7.372) 18.098 2.328 ( 8.566 16.988 6.415) 20.078 2.909 ( 1.748 2.060 -0.521) 2.751 3.289 ( -3.124 5.299 -8.635) 10.602 3.491 ( 7.377 1.634 11.349) 13.634 3.708 ( -2.929 -0.416 9.182) 9.647 3.866 ( -6.747 1.096 -1.698) 7.043 4.016 ( -1.337 -3.573 4.519) 5.914 4.466 ( 4.692 -0.094 -20.741) 21.265 5.091 ( -10.310 3.840 30.979) 32.875 6.116 ( -6.400 -7.054 9.897) 13.736 6.249 ( 8.895 -2.815 13.784) 16.644 6.430 ( -6.245 3.541 2.836) 7.719 6.680 ( 13.214 -2.989 -4.092) 14.152 6.831 ( -4.881 -3.338 -9.687) 11.349 7.217 ( -6.029 -10.328 11.874) 16.853 7.463 ( -3.273 0.252 14.059) 14.437 7.542 ( 5.557 -0.531 12.360) 13.562 7.951 ( 2.290 4.805 6.861) 8.683 8.122 ( 1.014 0.363 -6.176) 6.269 8.849 ( -6.509 -0.207 8.534) 10.735 9.422 ( 8.646 -4.689 -12.036) 15.543 10.262 ( 4.240 0.955 -35.403) 35.669 11.423 ( -1.385 -0.537 25.448) 25.491 12.414 ( -1.273 -3.341 -6.824) 7.704 12.917 ( -2.308 -1.330 11.023) 11.340 13.696 ( 9.542 -1.878 7.644) 12.369 14.750 ( 2.615 -0.998 -7.146) 7.675 14.982 ( -15.689 -5.666 6.869) 18.040 18.552 ( -1.235 -1.755 0.994) 2.365 18.791 ( -3.624 3.457 -4.562) 6.775 19.541 ( -0.040 -37.192 20.175) 42.312 20.312 ( -6.776 -6.755 -6.317) 11.466 23.513 ( -1.591 14.082 -5.700) 15.275 23.742 ( -3.513 18.245 -10.123) 21.159 ======================= Grid point 344 (169/251) ======================= q-point: (-0.70 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( -8.355 -0.000 1.390) 8.470 2.751 ( 2.406 0.000 -3.501) 4.248 2.941 ( 0.518 0.000 -2.968) 3.013 2.983 ( 12.648 0.000 9.429) 15.776 3.231 ( -4.782 -0.000 19.804) 20.373 3.398 ( -2.315 -0.000 -0.121) 2.318 3.587 ( -3.447 -0.000 7.200) 7.983 4.138 ( 8.406 0.000 6.387) 10.557 4.213 ( -0.682 -0.000 -3.656) 3.719 4.649 ( -0.988 -0.000 11.176) 11.220 4.770 ( 1.790 0.000 -15.815) 15.916 5.369 ( -1.246 -0.000 -11.737) 11.803 6.099 ( 12.521 0.000 20.615) 24.120 6.609 ( 3.690 0.000 -6.817) 7.751 6.808 ( -5.179 -0.000 -6.598) 8.388 7.016 ( -7.351 -0.000 5.829) 9.381 7.111 ( -16.613 -0.000 14.097) 21.788 7.586 ( -6.424 -0.000 9.383) 11.371 7.817 ( 0.534 0.000 3.363) 3.405 7.964 ( -3.202 -0.000 14.579) 14.926 8.282 ( -1.614 -0.000 15.652) 15.735 8.744 ( 3.339 0.000 1.771) 3.779 9.689 ( -7.657 -0.000 -12.844) 14.953 10.304 ( 5.606 0.000 -38.635) 39.039 11.177 ( -5.136 -0.000 23.366) 23.924 12.297 ( 0.592 0.000 -5.516) 5.547 12.855 ( -0.577 -0.000 19.267) 19.276 13.920 ( -6.531 -0.000 -9.410) 11.455 15.344 ( 0.778 0.000 53.936) 53.941 15.518 ( -13.278 -0.000 14.884) 19.946 17.893 ( -13.798 -0.000 -5.900) 15.006 18.089 ( 7.792 0.000 -1.170) 7.879 19.277 ( -5.753 -0.000 -6.695) 8.827 19.841 ( 9.133 0.000 -10.409) 13.847 23.596 ( 8.953 0.000 1.979) 9.169 23.943 ( 12.309 0.000 -11.879) 17.106 ======================= Grid point 346 (170/251) ======================= q-point: (-0.60 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( -5.058 -0.142 6.882) 8.542 2.790 ( 3.759 4.953 -2.768) 6.806 2.908 ( -0.587 2.998 1.008) 3.217 3.139 ( 4.384 5.420 11.940) 13.826 3.282 ( 1.534 -7.286 12.128) 14.231 3.361 ( -2.128 -1.480 -4.117) 4.865 3.544 ( -1.724 -0.874 6.738) 7.009 4.037 ( -9.113 8.106 6.780) 13.954 4.298 ( 0.671 -2.136 5.299) 5.752 4.707 ( 3.124 4.490 -5.607) 7.833 4.767 ( 4.904 -3.517 -0.111) 6.036 5.391 ( 4.268 -4.303 -8.004) 10.040 6.391 ( 14.289 -1.258 15.683) 21.254 6.620 ( -1.330 4.898 -8.283) 9.714 6.694 ( -2.515 3.176 -0.171) 4.055 6.827 ( -16.002 -1.229 14.543) 21.659 6.966 ( -6.157 -5.940 0.169) 8.557 7.497 ( -4.606 1.676 9.709) 10.876 7.752 ( -4.106 7.541 6.262) 10.627 7.942 ( -8.307 -9.183 12.797) 17.807 8.267 ( -2.637 0.833 13.457) 13.738 8.804 ( 2.830 -0.313 1.193) 3.087 9.514 ( -9.846 -1.710 -11.508) 15.241 10.312 ( 4.994 0.065 -38.500) 38.822 11.172 ( -1.995 -0.963 22.794) 22.901 12.301 ( 0.833 -0.831 -6.038) 6.151 12.889 ( -0.858 -0.318 20.430) 20.451 13.772 ( -8.622 -0.155 -5.255) 10.098 15.262 ( -16.220 0.943 4.183) 16.778 15.416 ( -9.351 -7.654 43.305) 44.959 17.709 ( -5.873 0.444 6.895) 9.068 18.270 ( 11.435 -0.302 1.795) 11.579 19.172 ( -3.873 1.766 -6.673) 7.915 19.985 ( 9.680 0.055 -9.813) 13.784 23.746 ( 8.085 0.775 -0.533) 8.140 24.123 ( 12.435 2.069 -13.493) 18.465 ======================= Grid point 347 (171/251) ======================= q-point: (-0.50 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( -3.178 3.979 10.408) 11.587 2.722 ( -0.588 10.623 0.409) 10.647 2.930 ( 3.520 2.287 6.022) 7.341 3.169 ( 2.460 6.690 10.215) 12.456 3.281 ( -6.130 0.738 -0.877) 6.237 3.379 ( 2.327 -2.411 3.697) 4.990 3.605 ( 1.153 -5.667 6.154) 8.445 3.836 ( -8.621 0.564 8.495) 12.117 4.252 ( -1.792 9.214 1.326) 9.480 4.656 ( 2.204 6.163 -19.447) 20.519 4.966 ( 6.684 -6.242 19.560) 21.593 5.558 ( 10.896 -5.484 -2.087) 12.376 6.402 ( -9.089 9.686 -1.983) 13.430 6.576 ( -11.250 0.754 13.509) 17.596 6.648 ( 1.986 -2.443 9.608) 10.111 6.743 ( 3.840 -5.537 -5.220) 8.523 6.945 ( -0.643 -4.082 2.080) 4.626 7.437 ( -3.020 3.631 9.242) 10.379 7.604 ( -7.255 4.789 8.446) 12.121 7.904 ( -7.663 -8.335 11.744) 16.313 8.250 ( -2.169 -0.877 8.631) 8.943 8.850 ( 1.440 -1.516 1.228) 2.425 9.343 ( -9.593 -3.379 -9.793) 14.119 10.309 ( 4.391 -0.016 -37.741) 37.995 11.216 ( 0.106 -1.009 22.709) 22.731 12.314 ( 0.820 -1.880 -6.678) 6.986 12.914 ( -1.791 -0.291 19.914) 19.997 13.614 ( -8.673 -0.457 0.127) 8.686 15.006 ( -11.567 0.962 -4.488) 12.444 15.341 ( -19.093 -14.480 25.995) 35.354 17.740 ( 4.721 -1.597 25.542) 26.023 18.461 ( 8.854 -0.726 2.781) 9.309 19.082 ( -2.736 2.303 -6.301) 7.245 20.121 ( 8.010 -0.429 -9.644) 12.544 23.844 ( 5.406 3.132 -2.690) 6.803 24.266 ( 10.681 4.298 -15.199) 19.067 ======================= Grid point 348 (172/251) ======================= q-point: (-0.40 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -5.082 15.410 11.974) 20.167 2.672 ( 5.227 9.975 3.487) 11.789 2.942 ( -0.957 7.909 8.883) 11.932 3.080 ( -5.420 10.566 -0.749) 11.899 3.204 ( 0.798 0.046 10.532) 10.563 3.461 ( 2.582 -2.330 -0.411) 3.503 3.630 ( -1.216 -0.982 10.633) 10.747 3.832 ( 0.136 -8.449 -0.377) 8.459 4.117 ( -2.668 10.286 -0.303) 10.630 4.598 ( 2.448 6.029 -20.413) 21.425 5.158 ( 3.756 -3.152 31.411) 31.792 5.826 ( 13.218 -2.473 3.024) 13.784 6.167 ( -6.408 5.801 0.935) 8.694 6.390 ( -10.626 0.883 4.915) 11.741 6.680 ( -4.217 -7.950 2.044) 9.229 6.798 ( -4.962 -9.960 -6.625) 12.951 7.078 ( 10.627 2.602 11.388) 15.792 7.334 ( -5.608 3.884 7.354) 10.031 7.493 ( -4.873 1.118 11.585) 12.618 7.897 ( -3.065 -5.669 9.296) 11.311 8.233 ( -2.789 -0.913 3.800) 4.802 8.899 ( 1.161 -3.269 2.995) 4.583 9.210 ( -6.769 -3.898 -9.073) 11.972 10.300 ( 3.916 -0.074 -36.954) 37.161 11.285 ( 1.022 -0.761 23.110) 23.145 12.331 ( 0.449 -2.676 -7.139) 7.638 12.917 ( -2.789 -0.241 17.809) 18.028 13.504 ( -4.805 -1.128 4.856) 6.924 14.835 ( -5.795 0.473 -9.467) 11.110 15.163 ( -21.420 -16.104 13.385) 29.955 17.989 ( 9.654 -8.563 37.640) 39.790 18.593 ( 4.341 -1.921 3.245) 5.750 19.010 ( -1.427 2.661 -6.077) 6.786 20.219 ( 4.439 -1.633 -9.764) 10.850 23.860 ( 1.808 5.574 -3.848) 7.011 24.335 ( 6.797 6.884 -17.009) 19.567 ======================= Grid point 349 (173/251) ======================= q-point: (-0.30 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 2.619 21.452 14.847) 26.220 2.655 ( 2.839 17.028 -4.899) 17.945 2.756 ( -4.424 16.820 11.965) 21.110 2.959 ( -0.825 3.978 1.916) 4.492 3.318 ( 7.309 -1.990 12.874) 14.937 3.465 ( -1.518 1.542 -2.124) 3.033 3.689 ( 2.505 -2.427 4.495) 5.690 3.892 ( -0.971 -4.545 -1.377) 4.847 3.997 ( -2.726 5.178 2.598) 6.403 4.543 ( 2.499 5.532 -20.710) 21.582 5.258 ( -4.034 0.611 39.196) 39.408 5.918 ( 1.758 3.008 6.429) 7.313 6.212 ( -5.178 -3.550 1.866) 6.549 6.292 ( 11.457 -3.422 1.599) 12.063 6.626 ( -10.853 -7.063 1.032) 12.990 6.781 ( -3.615 -6.750 -7.935) 11.027 7.148 ( -2.102 2.977 7.331) 8.187 7.351 ( 6.702 -0.922 14.695) 16.177 7.453 ( -3.013 -1.971 11.353) 11.910 7.933 ( 0.677 -2.468 7.319) 7.753 8.183 ( -2.605 1.293 -1.328) 3.198 8.925 ( -3.860 -2.099 6.964) 8.235 9.183 ( 2.552 -5.479 -10.359) 11.994 10.287 ( 3.784 0.069 -36.404) 36.601 11.359 ( 0.854 -0.388 23.561) 23.579 12.344 ( -0.337 -3.264 -7.316) 8.019 12.904 ( -3.200 -0.800 14.571) 14.940 13.509 ( 2.517 -1.910 8.158) 8.749 14.748 ( -1.766 -0.235 -10.474) 10.625 14.982 ( -16.984 -12.678 10.495) 23.650 18.334 ( 7.091 -13.269 32.434) 35.753 18.683 ( 0.669 -8.169 10.151) 13.047 18.957 ( 0.203 3.277 -6.906) 7.647 20.255 ( -0.630 -3.279 -10.012) 10.554 23.795 ( -1.337 6.966 -4.176) 8.231 24.285 ( 0.698 10.905 -17.618) 20.731 ======================= Grid point 350 (174/251) ======================= q-point: (-0.20 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 15.305 17.890 13.821) 27.301 2.432 ( -2.469 18.874 0.636) 19.045 2.661 ( 6.603 18.018 4.643) 19.743 2.946 ( 0.993 2.121 1.850) 2.985 3.387 ( -3.219 4.560 -5.912) 8.131 3.514 ( 9.533 -0.577 12.815) 15.982 3.717 ( -1.332 1.576 2.679) 3.381 3.874 ( -2.812 -0.806 -1.065) 3.114 3.951 ( -1.937 -0.994 6.400) 6.760 4.500 ( 2.668 3.573 -20.460) 20.940 5.167 ( -11.367 3.760 31.768) 33.950 5.982 ( -3.522 -6.509 8.087) 10.962 6.187 ( 3.530 -3.898 10.628) 11.858 6.460 ( -11.395 -2.050 0.093) 11.579 6.601 ( 14.909 -4.529 0.905) 15.608 6.762 ( -1.612 -3.634 -6.290) 7.441 7.105 ( -3.469 -1.448 8.327) 9.136 7.456 ( -1.660 -1.234 17.244) 17.368 7.522 ( 6.660 -1.724 8.110) 10.635 7.991 ( 2.486 -0.740 5.919) 6.463 8.137 ( 0.232 2.073 -4.015) 4.524 8.845 ( -7.410 -0.464 7.679) 10.681 9.324 ( 8.691 -5.800 -9.657) 14.228 10.274 ( 4.099 0.318 -35.944) 36.178 11.419 ( -0.088 0.127 23.758) 23.758 12.347 ( -1.119 -3.683 -7.198) 8.162 12.888 ( -3.252 -1.765 11.312) 11.901 13.658 ( 9.785 -2.126 9.173) 13.580 14.728 ( 0.616 -1.441 -5.836) 6.043 14.869 ( -8.729 -6.245 14.362) 17.929 18.508 ( -0.409 -3.628 6.855) 7.767 18.807 ( -4.377 -7.911 13.307) 16.087 18.997 ( 3.848 -13.948 6.854) 16.010 20.210 ( -6.148 -4.622 -10.407) 12.941 23.682 ( -2.898 7.080 -4.377) 8.814 24.085 ( -5.043 15.845 -14.749) 22.227 ======================= Grid point 351 (175/251) ======================= q-point: (-0.10 0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( 8.399 10.846 12.446) 18.523 2.381 ( 15.814 10.320 2.071) 18.997 2.682 ( 13.189 15.069 2.449) 20.175 2.947 ( 0.372 0.975 0.779) 1.302 3.245 ( -5.436 6.101 -8.632) 11.886 3.632 ( -4.702 5.043 3.745) 7.846 3.666 ( 3.450 2.421 8.096) 9.127 3.843 ( 2.550 3.504 3.263) 5.424 3.959 ( -2.339 -4.350 8.518) 9.846 4.487 ( 2.928 0.208 -19.442) 19.663 4.994 ( -10.544 2.901 20.036) 22.826 5.916 ( -9.973 -5.853 5.386) 12.756 6.190 ( -12.201 0.120 11.378) 16.683 6.511 ( 9.438 -9.047 5.927) 14.355 6.741 ( 0.964 -2.346 -0.815) 2.664 6.892 ( 11.713 -1.840 -2.769) 12.176 7.112 ( 0.022 -4.183 13.889) 14.505 7.468 ( 0.140 1.405 9.085) 9.195 7.643 ( 3.137 -0.667 10.994) 11.452 8.049 ( 2.939 2.373 7.158) 8.094 8.137 ( 1.969 0.707 -4.390) 4.863 8.735 ( -7.583 -1.197 8.390) 11.372 9.515 ( 9.761 -5.004 -10.492) 15.179 10.268 ( 4.563 0.452 -35.403) 35.699 11.452 ( -1.756 0.874 23.684) 23.765 12.342 ( -1.435 -3.502 -6.909) 7.877 12.871 ( -3.435 -2.085 9.516) 10.329 13.888 ( 11.637 -1.286 4.939) 12.707 14.772 ( 1.345 -1.918 14.840) 15.024 14.875 ( 3.269 -0.818 13.441) 13.857 18.486 ( -5.139 -1.913 0.908) 5.558 18.741 ( -4.658 3.293 -1.751) 5.968 19.256 ( -2.513 -27.316 14.123) 30.854 20.085 ( -10.188 -4.690 -11.095) 15.776 23.559 ( -2.542 7.331 -4.491) 8.966 23.803 ( -5.526 16.691 -8.654) 19.597 ======================= Grid point 356 (176/251) ======================= q-point: (-0.60 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 0.209 0.000 11.489) 11.491 2.855 ( -4.122 -0.000 1.455) 4.371 2.922 ( 6.564 0.000 1.040) 6.646 3.239 ( -1.237 -0.000 12.675) 12.736 3.325 ( 3.762 0.000 8.089) 8.921 3.328 ( 0.621 0.000 -1.530) 1.652 3.519 ( -0.157 -0.000 3.365) 3.368 3.853 ( -14.675 -0.000 11.942) 18.920 4.363 ( 2.255 0.000 1.592) 2.760 4.720 ( 0.804 0.000 -20.293) 20.309 4.884 ( 7.367 0.000 17.789) 19.254 5.498 ( 12.289 0.000 -4.989) 13.263 6.563 ( -15.731 -0.000 21.084) 26.306 6.567 ( -5.943 -0.000 -7.738) 9.757 6.590 ( 1.815 0.000 2.930) 3.447 6.669 ( -1.825 -0.000 -4.441) 4.802 6.915 ( 5.452 0.000 6.078) 8.165 7.473 ( -1.953 -0.000 9.090) 9.298 7.716 ( -12.772 -0.000 18.292) 22.310 7.757 ( -3.009 -0.000 5.343) 6.132 8.243 ( -3.129 -0.000 8.676) 9.223 8.836 ( 0.874 0.000 1.083) 1.391 9.307 ( -9.624 -0.000 -10.396) 14.167 10.309 ( 4.394 0.000 -38.220) 38.472 11.208 ( 0.636 0.000 22.201) 22.211 12.296 ( 0.773 0.000 -6.605) 6.650 12.911 ( -1.683 -0.000 20.279) 20.349 13.610 ( -8.812 -0.000 0.119) 8.813 15.016 ( -11.801 -0.000 -4.631) 12.677 15.209 ( -18.454 -0.000 30.768) 35.878 17.727 ( 3.249 0.000 23.334) 23.559 18.454 ( 8.759 0.000 2.690) 9.163 19.104 ( -3.060 -0.000 -6.680) 7.347 20.117 ( 7.775 0.000 -10.248) 12.864 23.874 ( 6.089 0.000 -2.551) 6.602 24.302 ( 10.359 0.000 -15.029) 18.253 ======================= Grid point 358 (177/251) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 2.848 6.784 13.531) 15.402 2.798 ( 1.101 3.743 6.103) 7.243 3.021 ( 3.457 1.121 4.222) 5.570 3.186 ( -5.528 2.186 2.213) 6.343 3.315 ( 0.699 8.812 6.513) 10.980 3.392 ( 2.039 -3.488 6.215) 7.413 3.596 ( 1.529 -3.102 7.573) 8.326 3.681 ( -6.206 -5.943 7.044) 11.111 4.325 ( -1.216 8.942 -3.025) 9.518 4.679 ( 1.341 2.445 -22.044) 22.220 5.072 ( 5.375 -4.599 25.260) 26.232 5.774 ( 18.017 -2.138 -0.606) 18.154 6.299 ( -12.198 6.352 5.100) 14.668 6.403 ( -11.040 1.473 3.643) 11.718 6.565 ( -7.587 -6.053 2.516) 10.026 6.643 ( -1.483 -4.790 -9.043) 10.340 7.112 ( 11.803 0.951 12.865) 17.485 7.408 ( -6.884 3.398 7.334) 10.617 7.534 ( -9.178 1.839 18.102) 20.378 7.795 ( 2.076 -3.995 7.782) 8.991 8.207 ( -3.049 -1.363 3.949) 5.171 8.851 ( 0.104 -1.547 1.676) 2.283 9.152 ( -6.474 -1.886 -9.066) 11.299 10.299 ( 4.045 -0.019 -37.841) 38.056 11.279 ( 1.776 -0.070 21.920) 21.992 12.298 ( 0.623 -0.918 -7.261) 7.345 12.914 ( -2.992 -0.098 18.417) 18.659 13.490 ( -5.209 -0.407 5.079) 7.286 14.844 ( -6.155 0.564 -9.209) 11.091 14.962 ( -18.565 -5.856 22.617) 29.841 17.895 ( 6.972 -2.313 34.360) 35.137 18.572 ( 3.857 -0.508 2.379) 4.560 19.044 ( -1.492 1.004 -6.506) 6.750 20.200 ( 4.033 -0.488 -11.136) 11.853 23.932 ( 2.340 2.131 -3.859) 4.991 24.407 ( 6.212 1.598 -15.943) 17.185 ======================= Grid point 359 (178/251) ======================= q-point: (-0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 4.099 17.516 14.448) 23.073 2.865 ( 6.237 4.896 3.976) 8.870 3.001 ( -2.478 9.309 5.809) 11.249 3.047 ( -4.158 4.620 0.460) 6.232 3.294 ( 2.394 1.437 9.631) 10.027 3.447 ( -1.324 -3.028 2.308) 4.031 3.619 ( 0.406 -3.911 14.212) 14.746 3.791 ( 4.678 -5.994 -0.613) 7.628 4.184 ( -2.100 12.255 -4.019) 13.067 4.629 ( 1.660 3.548 -22.409) 22.749 5.218 ( -1.660 -4.259 31.960) 32.285 6.034 ( 0.341 8.171 6.452) 10.417 6.133 ( 1.988 -3.702 -7.044) 8.202 6.241 ( -1.726 -2.221 7.765) 8.259 6.486 ( -8.766 -7.352 1.668) 11.561 6.665 ( 0.327 -5.843 -8.060) 9.960 7.229 ( -4.856 4.930 9.455) 11.717 7.342 ( 6.467 -0.287 13.744) 15.192 7.438 ( -5.722 -0.430 15.903) 16.906 7.892 ( 3.728 -0.899 7.511) 8.433 8.182 ( -1.912 -1.687 -0.690) 2.641 8.874 ( -1.591 -2.820 4.181) 5.289 9.098 ( 0.774 -3.565 -9.098) 9.802 10.287 ( 4.044 0.023 -37.495) 37.713 11.358 ( 1.720 0.168 21.931) 21.999 12.299 ( -0.132 -1.658 -7.869) 8.043 12.891 ( -4.083 -0.555 15.324) 15.869 13.482 ( 2.177 -1.077 8.826) 9.154 14.741 ( -4.741 -0.768 -2.038) 5.217 14.804 ( -9.907 -6.210 12.698) 17.261 18.138 ( 6.521 -7.153 37.582) 38.809 18.611 ( -0.853 -1.712 2.488) 3.138 19.006 ( 0.223 1.954 -6.882) 7.158 20.212 ( -0.840 -1.448 -12.228) 12.342 23.898 ( -1.747 4.134 -3.955) 5.982 24.410 ( 0.724 3.620 -16.227) 16.641 ======================= Grid point 360 (179/251) ======================= q-point: (-0.30 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.318 ( 9.312 18.238 13.283) 24.409 2.746 ( -5.180 14.168 0.253) 15.088 2.934 ( 1.982 10.653 0.545) 10.849 2.998 ( 1.715 4.450 2.033) 5.184 3.420 ( -0.467 -2.377 3.792) 4.500 3.447 ( 5.580 -4.596 10.144) 12.456 3.708 ( 1.741 -2.820 8.967) 9.560 3.881 ( 2.664 1.277 -0.151) 2.959 4.040 ( -1.325 10.301 -0.451) 10.396 4.574 ( 1.616 4.030 -21.505) 21.939 5.197 ( -10.826 -0.921 29.039) 31.005 5.916 ( -7.502 -0.503 2.389) 7.889 6.112 ( -0.975 -3.990 8.630) 9.558 6.356 ( -6.831 -6.948 -1.292) 9.829 6.539 ( 13.656 -2.693 3.338) 14.314 6.711 ( 1.763 -2.832 -3.921) 5.148 7.128 ( -3.324 2.721 6.737) 7.990 7.417 ( -2.203 -2.679 20.330) 20.623 7.495 ( 6.037 -0.848 9.312) 11.130 7.968 ( 2.919 -0.466 5.548) 6.286 8.169 ( 0.146 0.345 -2.175) 2.207 8.835 ( -5.304 -0.212 5.516) 7.655 9.216 ( 8.634 -6.009 -8.523) 13.539 10.278 ( 4.372 0.173 -37.024) 37.282 11.426 ( 0.862 0.515 21.942) 21.965 12.290 ( -0.963 -2.452 -8.056) 8.476 12.857 ( -4.206 -1.516 12.217) 13.009 13.624 ( 9.961 -1.546 10.478) 14.540 14.697 ( -2.038 -1.892 8.081) 8.546 14.775 ( -1.686 -3.633 8.486) 9.384 18.387 ( 3.712 -9.166 28.663) 30.321 18.603 ( -4.230 -6.102 8.304) 11.139 18.979 ( 0.736 2.589 -8.205) 8.635 20.145 ( -5.656 -2.506 -13.199) 14.577 23.791 ( -4.578 4.831 -3.359) 7.455 24.291 ( -4.777 7.194 -14.937) 17.253 ======================= Grid point 361 (180/251) ======================= q-point: (-0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( 6.352 13.245 9.644) 17.572 2.590 ( 4.434 12.120 -0.417) 12.912 2.906 ( 5.152 8.023 3.076) 10.019 2.969 ( -1.633 2.329 0.695) 2.927 3.345 ( -4.314 4.084 -5.628) 8.183 3.676 ( 8.316 -1.816 9.031) 12.410 3.748 ( -0.086 0.165 6.109) 6.112 3.850 ( -0.100 6.736 2.730) 7.269 3.979 ( 1.684 5.020 5.176) 7.405 4.525 ( 1.797 3.406 -19.125) 19.509 5.037 ( -12.033 1.245 19.232) 22.720 5.804 ( -9.095 -5.931 1.207) 10.925 6.124 ( -9.995 -6.340 14.102) 18.411 6.376 ( 5.396 -5.879 1.824) 8.186 6.712 ( 1.778 -0.233 2.055) 2.727 6.838 ( 11.112 -3.867 -1.598) 11.873 7.107 ( 1.985 2.280 10.623) 11.045 7.469 ( 0.540 -1.278 16.065) 16.125 7.614 ( 3.915 -2.392 6.687) 8.110 8.036 ( 2.920 -1.547 2.140) 3.937 8.174 ( 1.477 1.447 1.566) 2.594 8.737 ( -6.388 1.707 7.128) 9.723 9.421 ( 10.238 -5.497 -8.896) 14.635 10.275 ( 4.741 0.356 -36.379) 36.689 11.471 ( -0.497 1.065 21.845) 21.877 12.280 ( -0.958 -3.081 -7.763) 8.407 12.831 ( -3.518 -2.151 10.557) 11.334 13.864 ( 12.555 -1.238 7.113) 14.483 14.746 ( 3.762 -0.810 14.119) 14.634 14.850 ( 4.319 -1.874 17.382) 18.008 18.450 ( -5.229 -1.926 2.610) 6.153 18.692 ( -1.503 -11.717 22.404) 25.328 18.952 ( -1.058 -2.639 -6.728) 7.304 20.014 ( -8.583 -3.049 -13.782) 16.520 23.656 ( -5.083 3.983 -3.006) 7.123 24.066 ( -7.506 11.101 -11.312) 17.536 ======================= Grid point 362 (181/251) ======================= q-point: (-0.10 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 2.109 8.977 11.108) 14.437 2.668 ( 9.117 3.415 -3.962) 10.511 2.913 ( -4.374 -1.159 1.002) 4.634 2.993 ( 9.204 3.698 4.500) 10.892 3.195 ( -3.892 6.726 -7.966) 11.128 3.618 ( -5.234 9.960 -2.986) 11.641 3.752 ( 1.201 4.863 7.291) 8.846 3.910 ( -0.561 -2.354 15.367) 15.556 4.038 ( 10.969 4.447 3.035) 12.219 4.495 ( 2.121 1.777 -17.017) 17.241 4.877 ( -8.469 0.925 9.146) 12.500 5.712 ( -7.880 -5.582 0.012) 9.657 6.006 ( -10.054 -2.400 15.839) 18.914 6.541 ( 3.413 -6.687 3.192) 8.158 6.725 ( -1.643 -2.759 1.401) 3.504 7.041 ( 9.083 -3.970 -1.981) 10.108 7.217 ( 7.897 0.773 16.221) 18.058 7.518 ( 1.569 0.461 10.105) 10.236 7.677 ( -0.576 -0.431 5.912) 5.955 8.097 ( 1.468 -2.368 0.475) 2.826 8.199 ( 2.132 2.555 6.951) 7.707 8.636 ( -4.532 1.613 8.262) 9.561 9.611 ( 8.453 -4.500 -9.556) 13.529 10.276 ( 4.878 0.411 -35.939) 36.270 11.477 ( -2.775 2.209 21.662) 21.951 12.281 ( -0.225 -2.889 -7.272) 7.828 12.820 ( -2.425 -1.708 11.060) 11.451 14.053 ( 6.831 -0.160 -2.587) 7.306 14.910 ( 9.032 1.578 32.392) 33.664 15.041 ( 11.394 -1.175 21.763) 24.593 18.335 ( -9.864 -2.275 -0.393) 10.131 18.692 ( -4.806 4.670 -2.505) 7.154 19.026 ( -2.615 -18.792 7.263) 20.316 19.862 ( -7.809 -2.431 -13.870) 16.102 23.546 ( -3.044 2.472 -3.135) 5.020 23.820 ( -5.278 11.665 -6.675) 14.439 ======================= Grid point 368 (182/251) ======================= q-point: ( 0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 6.635 -0.000 13.233) 14.803 2.873 ( 3.661 0.000 11.463) 12.034 3.063 ( -0.514 0.000 3.289) 3.329 3.114 ( -3.539 0.000 -2.231) 4.184 3.347 ( -1.591 -0.000 10.789) 10.906 3.399 ( -2.684 0.000 -0.577) 2.745 3.580 ( -1.006 0.000 18.835) 18.862 3.719 ( 9.857 0.000 0.596) 9.875 4.321 ( -2.760 0.000 -6.129) 6.722 4.662 ( 1.385 0.000 -23.070) 23.111 5.162 ( -0.249 0.000 28.374) 28.375 6.082 ( 12.433 0.000 -7.409) 14.473 6.144 ( -8.967 0.000 7.058) 11.412 6.241 ( -4.810 0.000 6.974) 8.471 6.385 ( -8.319 0.000 0.672) 8.346 6.604 ( 1.412 0.000 -8.450) 8.567 7.303 ( -8.451 -0.000 6.871) 10.892 7.323 ( 5.994 0.000 22.855) 23.628 7.425 ( -5.098 0.000 14.753) 15.609 7.899 ( 6.821 0.000 6.847) 9.665 8.151 ( -2.405 0.000 -1.066) 2.631 8.845 ( -0.167 -0.000 2.833) 2.838 9.064 ( -0.270 0.000 -8.552) 8.557 10.287 ( 4.205 0.000 -38.109) 38.341 11.360 ( 1.974 0.000 21.329) 21.420 12.284 ( -0.020 0.000 -8.197) 8.197 12.886 ( -4.444 0.000 15.755) 16.370 13.472 ( 2.061 0.000 9.049) 9.281 14.722 ( -11.549 0.000 25.803) 28.270 14.760 ( -1.691 0.000 -11.583) 11.706 18.075 ( 5.877 0.000 37.053) 37.516 18.597 ( -1.062 0.000 1.720) 2.021 19.024 ( 0.304 0.000 -6.930) 6.936 20.199 ( -0.899 0.000 -12.886) 12.917 23.937 ( -1.910 0.000 -4.108) 4.530 24.440 ( 0.744 0.000 -15.357) 15.375 ======================= Grid point 370 (183/251) ======================= q-point: (-0.40 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 6.282 12.333 11.161) 17.780 2.884 ( -5.793 0.267 4.362) 7.256 3.026 ( -2.768 2.007 2.955) 4.519 3.111 ( 3.208 4.571 -5.008) 7.501 3.346 ( 3.864 -1.021 10.831) 11.545 3.389 ( -1.180 -3.744 4.473) 5.952 3.662 ( 3.182 -1.606 18.318) 18.661 3.892 ( 8.252 0.124 1.150) 8.333 4.227 ( -2.052 7.111 -4.729) 8.783 4.629 ( 1.305 1.632 -22.432) 22.529 5.154 ( -8.810 -2.404 24.611) 26.251 5.931 ( -12.744 0.841 -6.424) 14.296 6.059 ( -4.313 -1.581 10.919) 11.845 6.274 ( -3.652 -1.559 -1.712) 4.324 6.500 ( 16.334 -1.456 5.487) 17.292 6.650 ( 3.898 -2.760 -5.620) 7.375 7.179 ( -4.931 2.335 7.279) 9.097 7.368 ( -3.731 -2.255 29.401) 29.723 7.490 ( 4.731 0.064 9.159) 10.309 7.995 ( 3.899 2.783 5.428) 7.239 8.139 ( -0.006 -2.859 -3.883) 4.822 8.846 ( -1.040 1.024 4.766) 4.985 9.120 ( 7.302 -3.589 -8.988) 12.124 10.281 ( 4.728 0.146 -38.120) 38.413 11.434 ( 1.236 0.267 20.938) 20.976 12.260 ( -0.879 -0.797 -8.939) 9.018 12.837 ( -4.803 -0.592 13.158) 14.020 13.604 ( 10.055 -0.549 11.214) 15.071 14.668 ( -2.485 -1.008 28.963) 29.087 14.736 ( 1.065 -0.909 -7.962) 8.085 18.260 ( 4.556 -3.734 34.670) 35.167 18.551 ( -4.976 -1.022 1.662) 5.345 19.016 ( 0.834 1.127 -8.298) 8.415 20.116 ( -5.448 -0.741 -14.410) 15.423 23.852 ( -5.729 1.776 -3.228) 6.811 24.368 ( -4.265 1.817 -13.973) 14.722 ======================= Grid point 371 (184/251) ======================= q-point: (-0.30 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( 2.477 12.202 6.411) 14.004 2.779 ( -1.029 6.777 0.426) 6.868 2.976 ( -1.542 2.067 5.280) 5.876 3.033 ( -3.638 3.135 -4.493) 6.576 3.389 ( -1.674 0.861 -0.749) 2.027 3.556 ( 8.057 -7.396 10.259) 14.995 3.764 ( 4.122 1.597 15.103) 15.736 3.981 ( 3.660 3.192 3.155) 5.792 4.125 ( 0.202 10.326 -0.622) 10.347 4.585 ( 1.519 2.686 -19.444) 19.687 5.031 ( -11.513 -1.521 15.821) 19.626 5.721 ( -10.423 -2.987 -5.757) 12.276 6.013 ( -8.509 -4.921 13.628) 16.804 6.295 ( 3.718 -2.859 1.441) 4.906 6.728 ( 5.045 1.399 3.948) 6.556 6.759 ( 8.588 -4.236 -3.420) 10.169 7.155 ( 2.891 2.334 9.086) 9.816 7.429 ( 0.791 -2.626 26.053) 26.197 7.575 ( 2.764 -1.533 7.540) 8.176 8.033 ( 2.164 1.396 2.351) 3.487 8.162 ( 0.202 -2.503 -1.097) 2.740 8.802 ( -1.978 4.988 6.328) 8.297 9.313 ( 10.844 -6.033 -9.542) 15.654 10.282 ( 5.194 0.463 -37.534) 37.894 11.487 ( 0.082 0.646 20.618) 20.628 12.236 ( -0.688 -1.648 -8.936) 9.112 12.798 ( -3.630 -1.343 11.769) 12.390 13.846 ( 13.188 -0.707 8.755) 15.845 14.745 ( 4.984 0.695 13.059) 13.995 14.811 ( 5.409 -2.292 21.196) 21.995 18.417 ( -2.305 -1.876 11.120) 11.510 18.490 ( -1.882 -7.473 18.837) 20.353 18.980 ( -1.245 2.412 -11.114) 11.440 19.974 ( -7.865 -1.376 -15.051) 17.037 23.709 ( -7.614 1.943 -1.970) 8.101 24.206 ( -7.512 4.636 -11.642) 14.611 ======================= Grid point 372 (185/251) ======================= q-point: (-0.20 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( -1.135 9.971 5.124) 11.268 2.753 ( 3.789 5.662 -3.496) 7.657 2.900 ( -6.066 0.064 3.162) 6.841 3.025 ( 3.382 0.052 3.459) 4.838 3.303 ( -3.277 5.116 -5.641) 8.291 3.685 ( -2.945 -4.562 7.791) 9.496 3.847 ( 4.508 6.390 5.859) 9.772 3.969 ( 1.037 8.002 5.796) 9.935 4.088 ( 3.459 2.029 4.445) 5.986 4.558 ( 3.087 3.899 -14.184) 15.030 4.881 ( -9.168 -0.467 7.030) 11.562 5.603 ( -6.774 -5.834 -5.634) 10.567 5.934 ( -8.292 -4.586 14.981) 17.726 6.415 ( 3.450 -5.877 4.321) 8.069 6.750 ( 0.680 4.108 3.562) 5.479 6.939 ( 7.159 -6.750 -3.853) 10.566 7.258 ( 7.726 2.763 13.771) 16.030 7.513 ( 0.385 -0.838 19.863) 19.885 7.658 ( 2.748 -1.610 4.108) 5.198 8.053 ( -0.134 -1.604 0.886) 1.837 8.194 ( 0.573 -2.765 4.091) 4.971 8.729 ( -0.936 7.917 7.895) 11.219 9.525 ( 9.444 -5.187 -10.123) 14.785 10.286 ( 5.150 0.745 -36.724) 37.091 11.511 ( -1.603 1.384 20.347) 20.457 12.234 ( 0.655 -2.130 -8.449) 8.738 12.790 ( -1.699 -1.467 12.069) 12.276 14.050 ( 7.532 -0.127 -0.761) 7.571 14.916 ( 11.841 -0.572 15.795) 19.749 15.039 ( 11.607 0.620 39.070) 40.763 18.297 ( -9.982 -1.731 -0.462) 10.141 18.663 ( 3.024 -8.725 20.469) 22.456 18.867 ( -6.033 2.022 -14.613) 15.938 19.825 ( -6.641 -1.593 -14.366) 15.906 23.567 ( -6.723 0.182 -1.334) 6.857 23.994 ( -7.556 7.029 -8.450) 13.338 ======================= Grid point 373 (186/251) ======================= q-point: (-0.10 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( 0.951 6.385 9.576) 11.548 2.742 ( -2.156 -0.081 -4.196) 4.719 2.818 ( -4.206 0.471 3.187) 5.298 3.062 ( -0.967 0.566 -1.752) 2.079 3.256 ( 5.487 2.905 -3.054) 6.919 3.569 ( -8.042 7.497 2.211) 11.215 3.824 ( 0.246 2.678 2.625) 3.759 3.950 ( -1.626 5.972 15.038) 16.262 4.193 ( 4.600 -6.156 -0.495) 7.701 4.560 ( 4.861 5.170 -10.762) 12.891 4.762 ( -5.936 -0.471 1.157) 6.066 5.551 ( -4.082 -5.319 -5.755) 8.836 5.901 ( -2.906 -2.753 18.667) 19.091 6.510 ( -1.206 -8.205 3.433) 8.975 6.716 ( 0.827 6.518 1.847) 6.825 7.113 ( 6.014 -7.637 -3.731) 10.412 7.391 ( 5.376 1.682 13.884) 14.983 7.521 ( -6.698 -0.817 16.369) 17.706 7.678 ( 0.652 2.460 0.827) 2.676 8.089 ( 1.150 -3.415 5.478) 6.557 8.242 ( 0.766 -1.753 6.532) 6.806 8.682 ( 2.160 7.761 8.377) 11.622 9.675 ( 5.436 -3.775 -9.853) 11.869 10.287 ( 4.882 0.614 -36.560) 36.890 11.486 ( -4.261 2.968 20.230) 20.886 12.259 ( 2.225 -1.652 -7.762) 8.241 12.814 ( -0.085 -0.654 13.776) 13.792 14.101 ( 0.384 0.329 -8.402) 8.417 15.202 ( 13.405 -1.244 24.389) 27.858 15.343 ( 14.947 5.480 47.115) 49.732 18.136 ( -9.253 -1.708 -2.568) 9.754 18.603 ( -11.430 6.715 -14.098) 19.352 18.876 ( 1.397 -13.216 7.862) 15.441 19.730 ( -2.028 -1.233 -12.620) 12.841 23.487 ( -3.057 -2.722 -1.749) 4.451 23.808 ( -4.140 6.629 -5.497) 9.555 ======================= Grid point 380 (187/251) ======================= q-point: ( 0.60 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( -6.771 -0.000 0.419) 6.784 2.794 ( 4.816 0.000 5.398) 7.234 2.997 ( -2.011 -0.000 4.536) 4.962 3.074 ( -6.209 -0.000 -7.101) 9.433 3.383 ( -0.055 -0.000 10.413) 10.414 3.487 ( 8.015 0.000 3.324) 8.677 3.782 ( 6.164 0.000 20.291) 21.206 4.002 ( 2.770 0.000 1.777) 3.290 4.235 ( 0.226 0.000 -0.656) 0.694 4.611 ( 1.318 0.000 -19.849) 19.893 5.011 ( -10.369 -0.000 13.840) 17.294 5.694 ( -11.508 -0.000 -10.279) 15.430 5.965 ( -8.033 -0.000 13.091) 15.360 6.271 ( 3.037 0.000 2.585) 3.988 6.711 ( 6.285 0.000 -4.785) 7.899 6.748 ( 8.780 0.000 3.457) 9.436 7.178 ( 2.887 0.000 8.720) 9.186 7.399 ( 0.417 0.000 32.829) 32.832 7.561 ( 1.866 0.000 8.274) 8.482 8.066 ( 1.133 0.000 5.291) 5.411 8.118 ( 0.382 0.000 -6.416) 6.428 8.865 ( 0.320 0.000 7.197) 7.204 9.243 ( 11.075 0.000 -11.055) 15.648 10.287 ( 5.441 0.000 -38.145) 38.531 11.493 ( 0.204 0.000 20.246) 20.247 12.221 ( -0.617 -0.000 -9.513) 9.533 12.785 ( -3.681 -0.000 12.330) 12.867 13.840 ( 13.409 0.000 9.362) 16.354 14.764 ( 4.881 0.000 -4.700) 6.776 14.777 ( 6.268 0.000 40.026) 40.514 18.388 ( 4.367 0.000 28.980) 29.307 18.434 ( -8.161 -0.000 0.824) 8.202 19.004 ( -0.862 -0.000 -11.214) 11.247 19.962 ( -7.687 -0.000 -15.383) 17.196 23.727 ( -8.662 -0.000 -1.681) 8.824 24.246 ( -7.319 -0.000 -11.484) 13.618 ======================= Grid point 382 (188/251) ======================= q-point: (-0.30 0.60 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.645 ( -3.343 4.049 -1.927) 5.593 2.844 ( 1.437 2.838 0.351) 3.200 2.924 ( -7.050 2.570 -1.393) 7.632 3.008 ( 1.028 -1.531 4.270) 4.652 3.377 ( -1.979 2.624 4.207) 5.339 3.596 ( 1.560 -3.564 4.799) 6.178 3.909 ( 4.182 1.250 13.866) 14.536 4.027 ( -0.376 -0.774 6.241) 6.300 4.194 ( -2.821 6.406 1.804) 7.228 4.604 ( 3.109 0.975 -15.051) 15.399 4.869 ( -8.500 -0.450 4.322) 9.546 5.523 ( -6.370 -2.500 -12.072) 13.877 5.868 ( -7.020 -2.126 13.857) 15.679 6.347 ( 2.983 -1.616 6.265) 7.125 6.821 ( 5.294 0.786 1.991) 5.710 6.838 ( 4.300 -1.499 -4.497) 6.400 7.297 ( 7.222 1.315 11.374) 13.537 7.494 ( 0.124 -0.958 29.998) 30.014 7.626 ( 4.148 -1.389 7.175) 8.403 8.059 ( -1.242 2.332 -0.140) 2.646 8.124 ( -0.693 -4.287 -0.137) 4.345 8.872 ( 1.458 5.754 8.743) 10.568 9.432 ( 10.694 -3.933 -12.623) 17.005 10.299 ( 5.472 0.468 -37.450) 37.851 11.527 ( -1.177 0.427 19.828) 19.868 12.207 ( 1.119 -0.764 -9.382) 9.480 12.771 ( -1.286 -0.561 12.788) 12.865 14.048 ( 7.953 -0.036 0.407) 7.963 14.905 ( 11.291 -0.373 7.631) 13.633 15.049 ( 13.830 0.320 48.038) 49.990 18.275 ( -10.166 -0.620 -0.520) 10.198 18.539 ( 4.699 -3.625 20.790) 21.620 18.919 ( -5.025 1.959 -15.571) 16.479 19.805 ( -6.363 -0.547 -14.319) 15.679 23.564 ( -9.400 -0.207 -0.067) 9.403 24.076 ( -8.161 2.181 -9.021) 12.359 ======================= Grid point 383 (189/251) ======================= q-point: (-0.20 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -0.316 5.599 -0.039) 5.608 2.766 ( -5.696 3.184 -1.078) 6.614 2.835 ( -2.781 1.064 4.066) 5.039 3.053 ( 0.451 -1.256 1.340) 1.891 3.319 ( 0.840 4.058 -1.088) 4.285 3.615 ( -3.813 -1.679 5.137) 6.614 3.948 ( -3.190 9.329 4.552) 10.860 4.017 ( 0.743 -2.949 8.645) 9.164 4.086 ( -4.535 -0.835 6.052) 7.609 4.617 ( 0.504 0.748 -9.041) 9.086 4.749 ( -4.951 -0.797 -3.473) 6.100 5.460 ( -1.773 -3.942 -12.043) 12.795 5.845 ( -1.683 -2.951 17.000) 17.336 6.408 ( -0.166 -2.693 5.570) 6.189 6.853 ( 4.268 6.886 2.545) 8.492 6.970 ( 5.344 -6.889 -4.703) 9.906 7.416 ( 4.107 0.984 13.053) 13.720 7.504 ( -6.600 -0.886 18.735) 19.883 7.726 ( 3.387 2.232 7.473) 8.503 8.034 ( 0.803 -1.704 3.872) 4.305 8.170 ( 0.310 -5.332 3.394) 6.328 8.855 ( 2.673 9.661 9.157) 13.576 9.599 ( 6.852 -4.379 -12.784) 15.151 10.301 ( 4.810 0.849 -36.801) 37.124 11.525 ( -3.262 1.337 19.690) 20.003 12.235 ( 3.401 -0.971 -8.885) 9.563 12.804 ( 0.907 -0.430 14.234) 14.269 14.106 ( 0.405 0.207 -7.733) 7.746 15.163 ( 12.187 -1.954 16.626) 20.707 15.445 ( 20.947 4.389 55.663) 59.636 18.109 ( -8.667 -1.079 -2.445) 9.070 18.688 ( -2.682 -4.365 -6.921) 8.611 18.723 ( -4.156 2.960 -1.405) 5.292 19.708 ( -1.999 -0.995 -11.576) 11.789 23.428 ( -7.384 -3.008 0.647) 7.999 23.901 ( -6.558 3.447 -6.755) 10.026 ======================= Grid point 384 (190/251) ======================= q-point: (-0.10 -0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( -0.500 5.176 8.457) 9.928 2.648 ( -6.280 0.581 3.307) 7.121 2.760 ( -4.559 1.213 0.031) 4.718 3.059 ( 1.484 -0.053 -3.066) 3.406 3.306 ( -4.101 2.377 -0.010) 4.740 3.553 ( 1.242 2.676 -0.122) 2.953 3.807 ( -4.950 2.367 1.965) 5.828 3.982 ( -4.888 5.861 11.606) 13.890 4.138 ( -0.128 -9.820 3.093) 10.297 4.523 ( -8.608 -3.820 -5.750) 11.034 4.742 ( 2.905 -0.192 -3.271) 4.379 5.466 ( 1.337 -3.099 -10.326) 10.863 5.941 ( 4.938 -3.029 18.411) 19.301 6.414 ( -2.906 -3.055 3.193) 5.289 6.859 ( 4.653 10.451 3.115) 11.856 7.111 ( 3.853 -8.215 -4.978) 10.350 7.338 ( -15.561 0.432 12.337) 19.862 7.469 ( -1.277 -0.073 14.363) 14.419 7.745 ( 2.086 4.261 3.067) 5.649 8.128 ( 4.076 -1.977 9.346) 10.386 8.235 ( 0.402 -4.713 6.061) 7.689 8.836 ( 3.254 9.502 8.711) 13.295 9.681 ( 1.551 -3.254 -11.493) 12.045 10.294 ( 4.573 0.531 -36.936) 37.222 11.472 ( -5.518 3.064 20.084) 21.052 12.295 ( 4.686 -0.195 -8.201) 9.447 12.859 ( 1.299 0.407 16.072) 16.130 14.050 ( -3.902 0.254 -9.978) 10.717 15.362 ( 2.221 -3.480 16.658) 17.162 15.910 ( 26.503 13.800 59.775) 66.828 18.021 ( -1.062 -0.882 -2.719) 3.050 18.347 ( -18.648 5.432 -24.511) 31.274 18.855 ( 3.635 -6.757 5.714) 9.566 19.710 ( 3.519 -1.379 -8.636) 9.427 23.387 ( -2.675 -7.700 -0.263) 8.156 23.775 ( -2.974 2.366 -5.208) 6.447 ======================= Grid point 392 (191/251) ======================= q-point: (-0.30 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.615 ( -0.672 -0.000 -5.508) 5.549 2.818 ( -5.412 -0.000 -4.111) 6.796 2.845 ( -3.686 -0.000 6.013) 7.053 3.035 ( 1.305 0.000 4.957) 5.126 3.374 ( -1.338 -0.000 4.913) 5.092 3.582 ( -1.861 -0.000 -0.808) 2.029 3.946 ( -2.055 -0.000 15.036) 15.175 4.042 ( 0.153 0.000 8.618) 8.619 4.120 ( -9.072 -0.000 3.861) 9.860 4.612 ( -2.053 -0.000 -11.403) 11.586 4.740 ( -4.770 -0.000 -5.528) 7.302 5.423 ( -0.398 -0.000 -15.220) 15.225 5.814 ( -1.377 -0.000 16.176) 16.234 6.390 ( 0.957 0.000 7.843) 7.902 6.888 ( 4.568 0.000 -7.475) 8.760 6.935 ( 6.078 0.000 3.028) 6.791 7.426 ( 3.487 0.000 12.038) 12.533 7.495 ( -6.529 -0.000 20.304) 21.328 7.744 ( 5.790 0.000 15.763) 16.793 8.039 ( -0.907 -0.000 -1.705) 1.931 8.095 ( 0.132 0.000 3.104) 3.107 8.960 ( 2.543 0.000 10.631) 10.930 9.548 ( 7.899 0.000 -15.543) 17.435 10.311 ( 4.813 0.000 -37.002) 37.314 11.537 ( -2.964 -0.000 19.628) 19.850 12.226 ( 3.832 0.000 -9.356) 10.111 12.800 ( 1.298 0.000 14.418) 14.476 14.108 ( 0.400 0.000 -7.478) 7.489 15.144 ( 11.862 0.000 15.471) 19.495 15.486 ( 23.125 0.000 57.336) 61.824 18.099 ( -8.502 -0.000 -2.378) 8.828 18.635 ( 3.173 0.000 4.842) 5.789 18.768 ( -8.514 -0.000 -14.552) 16.859 19.698 ( -2.191 -0.000 -11.017) 11.233 23.398 ( -9.325 -0.000 1.785) 9.494 23.933 ( -7.252 -0.000 -7.176) 10.202 ======================= Grid point 393 (192/251) ======================= q-point: (-0.20 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -0.845 1.216 -3.885) 4.158 2.708 ( -6.808 5.228 9.467) 12.779 2.768 ( -4.347 -0.896 1.656) 4.738 3.061 ( 1.115 0.253 1.031) 1.540 3.348 ( -2.619 1.784 0.942) 3.306 3.530 ( -3.915 -2.657 -4.317) 6.405 3.902 ( -9.172 4.543 4.964) 11.375 3.976 ( -1.734 -5.473 16.398) 17.374 4.079 ( 0.403 3.851 7.185) 8.162 4.435 ( -14.732 -4.697 -8.696) 17.740 4.725 ( 2.098 -0.916 -7.282) 7.633 5.428 ( 3.802 -0.979 -14.706) 15.222 5.889 ( 4.418 -1.865 16.378) 17.066 6.408 ( -0.300 0.976 7.439) 7.509 6.970 ( 5.161 -2.435 -7.487) 9.414 7.028 ( 5.324 3.068 2.957) 6.819 7.343 ( -15.064 0.051 14.463) 20.883 7.472 ( -1.106 0.255 13.071) 13.120 7.827 ( 2.506 3.886 9.423) 10.496 8.094 ( 5.431 -1.166 8.812) 10.416 8.128 ( -0.318 -5.368 2.781) 6.054 8.995 ( 1.935 5.918 10.891) 12.545 9.622 ( 2.940 -2.499 -15.943) 16.403 10.305 ( 4.146 0.409 -36.859) 37.094 11.508 ( -4.850 0.948 20.087) 20.686 12.292 ( 5.771 -0.072 -9.067) 10.749 12.865 ( 1.969 0.177 16.118) 16.239 14.053 ( -3.992 0.087 -9.833) 10.613 15.318 ( 2.297 -1.268 15.390) 15.612 16.089 ( 33.638 5.255 62.088) 70.810 18.008 ( -0.724 -0.402 -2.553) 2.684 18.429 ( -16.990 2.726 -31.415) 35.819 18.780 ( 4.007 -1.806 7.809) 8.961 19.687 ( 2.734 -0.867 -6.879) 7.453 23.272 ( -7.066 -3.804 2.709) 8.470 23.805 ( -5.010 0.842 -6.041) 7.893 ======================= Grid point 394 (193/251) ======================= q-point: (-0.10 -0.30 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -9.904 3.308 11.658) 15.651 2.555 ( -7.098 0.759 7.760) 10.544 2.748 ( 1.773 2.694 -1.259) 3.462 3.072 ( -2.147 -1.269 -2.018) 3.208 3.192 ( -8.387 3.643 -0.153) 9.145 3.531 ( -2.499 -9.311 -4.541) 10.657 3.790 ( 0.813 5.455 -0.311) 5.525 3.927 ( -11.807 6.259 2.448) 13.586 4.058 ( -1.482 -6.716 12.632) 14.383 4.299 ( -5.300 -9.195 -1.880) 10.778 4.770 ( 2.430 -2.030 1.398) 3.461 5.500 ( 6.794 -0.507 -11.767) 13.597 6.039 ( 4.735 -4.313 11.826) 13.449 6.415 ( 2.449 3.083 8.960) 9.787 7.021 ( -2.888 6.710 3.327) 8.027 7.086 ( -9.680 1.962 10.797) 14.633 7.097 ( 1.934 -5.184 -5.141) 7.553 7.446 ( -4.307 0.789 13.107) 13.819 7.824 ( 0.576 5.951 4.508) 7.488 8.175 ( -0.749 -4.669 3.512) 5.890 8.220 ( 2.574 -3.267 11.973) 12.675 8.977 ( 1.055 7.749 9.631) 12.406 9.619 ( -2.194 -2.732 -13.965) 14.398 10.294 ( 4.350 0.104 -37.113) 37.368 11.443 ( -5.778 2.531 21.267) 22.182 12.372 ( 5.624 0.855 -8.556) 10.274 12.919 ( 0.327 0.744 17.439) 17.458 13.938 ( -6.668 0.123 -8.567) 10.857 15.301 ( -8.544 -2.159 9.232) 12.762 16.771 ( 40.160 20.203 58.138) 73.491 17.940 ( -22.330 4.620 -27.405) 35.651 18.099 ( 6.543 -1.125 -4.676) 8.120 18.875 ( 2.724 -3.430 2.140) 4.875 19.778 ( 7.459 -2.117 -3.749) 8.612 23.258 ( -2.330 -11.041 1.532) 11.388 23.728 ( -1.945 -0.506 -5.635) 5.982 ======================= Grid point 403 (194/251) ======================= q-point: (-0.20 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( -4.528 -0.000 -0.233) 4.534 2.560 ( -14.530 -0.000 20.530) 25.152 2.780 ( 3.356 0.000 -3.763) 5.042 3.065 ( -4.715 -0.000 1.137) 4.851 3.236 ( -8.615 -0.000 -0.363) 8.622 3.422 ( -4.184 -0.000 -8.047) 9.069 3.833 ( -0.697 -0.000 3.858) 3.921 3.989 ( -1.104 -0.000 19.443) 19.474 4.052 ( -18.821 -0.000 -11.680) 22.151 4.152 ( 2.024 0.000 6.938) 7.228 4.751 ( 2.679 0.000 -1.339) 2.995 5.495 ( 7.644 0.000 -13.502) 15.516 5.999 ( 4.623 0.000 10.784) 11.733 6.453 ( 3.048 0.000 11.507) 11.904 7.019 ( 4.357 0.000 -8.149) 9.241 7.076 ( -18.307 -0.000 13.334) 22.649 7.137 ( 3.757 0.000 1.675) 4.113 7.460 ( -3.275 -0.000 13.482) 13.874 7.912 ( 2.052 0.000 9.349) 9.572 8.078 ( -2.681 -0.000 2.506) 3.670 8.200 ( 3.891 0.000 9.719) 10.469 9.060 ( -0.412 -0.000 12.070) 12.077 9.587 ( -1.310 -0.000 -17.526) 17.575 10.296 ( 4.022 0.000 -37.088) 37.305 11.466 ( -5.548 -0.000 21.377) 22.085 12.380 ( 6.237 0.000 -9.024) 10.970 12.927 ( 0.417 0.000 17.364) 17.369 13.939 ( -6.677 -0.000 -8.553) 10.851 15.281 ( -8.165 -0.000 8.745) 11.964 16.960 ( 47.401 0.000 61.404) 77.571 18.014 ( -23.504 -0.000 -40.145) 46.519 18.071 ( 7.831 0.000 -0.622) 7.856 18.845 ( 2.979 0.000 3.120) 4.314 19.754 ( 6.509 0.000 -1.936) 6.791 23.146 ( -5.705 -0.000 4.289) 7.137 23.724 ( -3.081 -0.000 -6.071) 6.808 ======================= Grid point 404 (195/251) ======================= q-point: (-0.10 -0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -15.064 2.579 20.136) 25.280 2.423 ( -12.075 -1.006 5.718) 13.398 2.765 ( -11.139 3.495 1.802) 11.813 2.856 ( -8.179 -5.310 -2.824) 10.152 3.198 ( 2.784 1.037 -2.379) 3.805 3.371 ( -5.506 -5.590 -1.261) 7.947 3.675 ( -13.223 2.226 -10.424) 16.984 3.877 ( 4.068 -0.163 1.231) 4.254 4.083 ( 3.454 0.148 12.999) 13.451 4.217 ( 0.772 -4.734 3.928) 6.200 4.818 ( 3.570 -1.160 10.067) 10.744 5.628 ( 10.634 0.275 -9.990) 14.593 6.057 ( -1.054 -1.579 3.753) 4.206 6.586 ( 10.109 2.196 16.996) 19.896 6.793 ( -16.463 0.792 12.159) 20.482 7.077 ( 1.977 -3.212 -6.778) 7.756 7.151 ( -0.698 2.875 -0.406) 2.986 7.430 ( -1.728 2.903 13.662) 14.074 7.892 ( -1.707 8.567 5.347) 10.242 8.078 ( -3.517 -8.807 4.976) 10.710 8.247 ( -1.297 -0.583 8.502) 8.620 9.044 ( -1.922 3.506 10.966) 11.672 9.509 ( -3.948 -1.398 -16.140) 16.674 10.286 ( 4.180 -0.214 -37.193) 37.428 11.414 ( -5.048 1.398 23.119) 23.705 12.454 ( 4.622 0.954 -8.639) 9.844 12.949 ( -1.929 0.344 17.853) 17.960 13.794 ( -8.035 0.087 -4.963) 9.444 15.116 ( -11.204 -0.748 0.686) 11.250 17.433 ( -29.228 6.824 -44.981) 54.075 17.896 ( 50.211 18.147 50.802) 73.697 18.263 ( 13.459 -3.639 2.035) 14.090 18.896 ( 1.946 -1.021 1.480) 2.649 19.903 ( 9.412 -2.596 1.487) 9.876 23.122 ( -2.402 -10.095 3.832) 11.062 23.679 ( -1.093 -1.391 -6.575) 6.809 ======================= Grid point 414 (196/251) ======================= q-point: (-0.10 -0.10 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -28.409 -0.000 2.387) 28.509 2.150 ( -13.709 -0.000 24.288) 27.890 2.403 ( -22.593 -0.000 3.856) 22.920 2.815 ( 0.294 0.000 -2.889) 2.904 3.241 ( 2.502 0.000 -4.052) 4.763 3.256 ( -4.514 -0.000 7.026) 8.351 3.591 ( 2.932 0.000 -6.338) 6.983 3.941 ( 3.428 0.000 0.315) 3.442 4.195 ( 6.308 0.000 2.358) 6.734 4.201 ( -1.435 -0.000 3.142) 3.455 4.918 ( 4.343 0.000 22.989) 23.395 5.823 ( 13.656 0.000 -6.333) 15.053 6.008 ( -3.936 -0.000 2.003) 4.416 6.572 ( -12.096 -0.000 12.086) 17.100 6.848 ( 13.717 0.000 17.993) 22.625 7.026 ( -6.080 -0.000 -4.436) 7.527 7.123 ( -1.423 -0.000 -3.539) 3.815 7.486 ( 2.198 0.000 11.221) 11.434 7.899 ( -7.797 -0.000 1.841) 8.012 7.960 ( -2.523 -0.000 9.640) 9.965 8.193 ( -5.965 -0.000 5.286) 7.970 9.029 ( -3.800 -0.000 10.626) 11.285 9.409 ( -2.472 -0.000 -16.079) 16.268 10.274 ( 3.882 0.000 -37.064) 37.267 11.396 ( -3.798 -0.000 24.896) 25.184 12.502 ( 2.429 0.000 -8.200) 8.552 12.943 ( -3.091 -0.000 17.448) 17.720 13.656 ( -6.776 -0.000 -0.579) 6.800 14.934 ( -8.241 -0.000 -6.094) 10.249 16.817 ( -33.192 -0.000 -43.995) 55.111 18.405 ( 8.295 0.000 0.358) 8.303 18.809 ( 10.340 0.000 -3.935) 11.063 19.178 ( 46.132 0.000 32.312) 56.322 20.053 ( 8.421 0.000 5.812) 10.232 23.037 ( -2.079 -0.000 5.788) 6.150 23.642 ( -0.523 -0.000 -7.702) 7.720 ======================= Grid point 415 (197/251) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -0.269 -0.000 11.998) 12.001 1.700 ( -0.469 -0.000 -9.343) 9.355 2.540 ( -6.655 -0.000 23.288) 24.220 2.796 ( 2.197 0.000 -3.713) 4.314 3.178 ( -4.018 -0.000 1.609) 4.328 3.374 ( 7.594 0.000 -10.926) 13.306 3.825 ( 8.685 0.000 3.593) 9.399 3.927 ( -8.018 -0.000 -4.804) 9.347 4.077 ( -0.282 -0.000 1.161) 1.195 4.128 ( 0.832 0.000 -5.567) 5.628 5.771 ( -11.454 -0.000 26.765) 29.113 6.206 ( 17.961 0.000 -15.133) 23.486 6.273 ( 14.157 0.000 10.577) 17.672 6.461 ( -15.964 -0.000 -7.919) 17.821 6.579 ( -0.035 -0.000 12.401) 12.401 6.817 ( -5.162 -0.000 -10.583) 11.775 7.577 ( -5.824 -0.000 3.690) 6.895 7.617 ( 6.167 0.000 1.406) 6.325 7.910 ( 2.304 0.000 6.936) 7.309 8.015 ( -0.860 -0.000 -2.979) 3.101 8.243 ( -9.062 -0.000 37.849) 38.919 8.990 ( 6.218 0.000 -28.752) 29.417 9.146 ( -5.928 -0.000 14.077) 15.274 9.548 ( 5.449 0.000 -27.769) 28.298 11.910 ( -1.453 -0.000 21.268) 21.317 12.276 ( 0.694 0.000 -14.309) 14.326 13.240 ( -5.021 -0.000 15.869) 16.645 13.543 ( 6.602 0.000 -11.250) 13.044 14.740 ( 2.110 0.000 10.140) 10.358 15.082 ( -11.564 -0.000 -20.726) 23.733 18.594 ( 1.530 0.000 2.628) 3.041 18.676 ( -1.899 -0.000 -5.158) 5.497 20.355 ( -4.345 -0.000 5.365) 6.904 20.449 ( 7.804 0.000 -3.802) 8.681 23.197 ( 0.520 0.000 8.738) 8.753 23.387 ( -0.883 -0.000 -9.606) 9.647 ======================= Grid point 416 (198/251) ======================= q-point: ( 0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 22.121 -5.673 9.585) 24.766 1.858 ( 16.491 -4.391 -7.428) 18.612 2.526 ( -2.830 -4.303 23.171) 23.736 2.845 ( 3.100 -2.051 -2.235) 4.338 3.101 ( -5.703 -1.633 -1.066) 6.027 3.479 ( 6.990 -0.900 -12.214) 14.102 3.740 ( -11.029 -0.113 -5.863) 12.491 3.904 ( -0.249 0.305 5.183) 5.198 4.094 ( 0.852 -0.031 1.984) 2.159 4.179 ( 6.794 1.326 -6.112) 9.234 5.556 ( -18.031 -1.203 20.525) 27.347 6.144 ( -16.499 -0.994 -12.764) 20.884 6.414 ( 7.150 4.339 -11.347) 14.096 6.553 ( 9.960 -4.496 8.284) 13.713 6.670 ( 9.586 3.034 12.768) 16.252 6.745 ( 2.505 1.319 -4.497) 5.314 7.480 ( -5.578 0.504 2.766) 6.247 7.650 ( 0.034 4.593 2.398) 5.182 7.958 ( 0.933 1.604 4.708) 5.061 8.001 ( 1.649 -0.730 -2.583) 3.150 8.236 ( -2.660 -1.645 38.588) 38.715 9.050 ( 7.125 1.004 -26.472) 27.433 9.085 ( -3.824 -0.767 10.568) 11.265 9.597 ( 6.236 -0.486 -24.121) 24.919 11.920 ( -2.235 0.805 20.811) 20.947 12.243 ( -0.185 1.315 -14.160) 14.223 13.186 ( -4.728 0.371 13.958) 14.742 13.644 ( 7.662 0.053 -13.655) 15.657 14.884 ( 11.366 1.427 18.224) 21.525 14.950 ( 0.531 0.033 -8.848) 8.864 18.606 ( -1.422 0.220 2.447) 2.839 18.629 ( -2.995 -1.982 -3.801) 5.229 20.166 ( -13.541 7.262 1.231) 15.414 20.394 ( -6.480 10.495 -4.246) 13.044 23.271 ( 0.929 -8.355 7.604) 11.335 23.381 ( -0.320 -5.379 -8.490) 10.056 ======================= Grid point 417 (199/251) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 19.937 -2.372 -0.801) 20.093 2.253 ( 23.166 -3.959 2.066) 23.592 2.642 ( 4.952 -9.921 18.673) 21.717 2.924 ( 3.357 -3.018 0.195) 4.519 3.011 ( -6.659 -3.347 -2.689) 7.923 3.544 ( -8.613 -0.531 -7.596) 11.496 3.594 ( 6.187 -4.152 -11.109) 13.376 3.885 ( -1.955 -0.601 4.103) 4.584 4.108 ( -0.100 -0.601 2.351) 2.428 4.262 ( 6.063 4.444 -3.787) 8.418 5.293 ( -17.933 -1.910 15.797) 23.975 5.852 ( -14.836 -1.614 -12.916) 19.737 6.376 ( -1.891 4.322 -5.764) 7.448 6.651 ( -1.817 -3.808 10.374) 11.199 6.849 ( 8.317 1.405 -3.126) 8.995 6.898 ( 13.515 5.132 5.348) 15.415 7.410 ( -1.198 -0.211 -1.213) 1.718 7.597 ( 0.407 7.625 7.705) 10.848 7.916 ( -0.600 4.382 -2.470) 5.066 8.094 ( 3.612 -3.829 3.914) 6.559 8.317 ( 0.355 -2.779 33.852) 33.968 9.006 ( -5.055 2.407 13.744) 14.840 9.155 ( 9.213 -0.773 -29.294) 30.719 9.658 ( 5.771 -0.027 -20.364) 21.166 11.907 ( -3.543 0.852 19.803) 20.136 12.188 ( -0.502 2.478 -13.706) 13.937 13.139 ( -3.411 0.667 14.679) 15.085 13.734 ( 6.084 -0.370 -17.115) 18.168 15.036 ( 10.522 -0.903 0.727) 10.586 15.194 ( 19.444 3.111 26.681) 33.161 18.541 ( -5.818 -0.806 -1.944) 6.187 18.585 ( -5.161 -1.566 0.846) 5.459 19.810 ( -16.668 8.405 -6.082) 19.633 20.083 ( -13.538 14.870 -0.852) 20.128 23.379 ( 0.261 -8.578 3.592) 9.303 23.436 ( 0.304 -9.807 -4.747) 10.900 ======================= Grid point 418 (200/251) ======================= q-point: ( 0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 11.839 1.353 4.803) 12.847 2.551 ( 10.372 -0.003 -0.198) 10.374 2.890 ( 1.536 -3.527 0.016) 3.847 2.933 ( -3.910 -7.776 2.151) 8.965 3.051 ( 9.925 -4.494 5.260) 12.098 3.409 ( -5.122 -0.697 -6.165) 8.045 3.749 ( 6.300 -5.749 -7.089) 11.091 3.918 ( 4.702 -6.005 0.150) 7.629 4.114 ( -0.674 -1.732 1.442) 2.353 4.285 ( 3.358 6.635 -1.214) 7.535 5.055 ( -14.850 -2.011 11.683) 19.002 5.615 ( -10.783 -1.582 -12.295) 16.430 6.298 ( -2.332 2.832 1.502) 3.964 6.669 ( -2.588 -4.098 9.999) 11.112 6.842 ( -3.027 6.208 -0.993) 6.978 7.067 ( 9.507 4.106 -2.092) 10.565 7.451 ( 3.764 -2.341 -6.260) 7.670 7.583 ( 3.960 7.714 10.187) 13.378 7.876 ( 0.947 3.200 -2.894) 4.417 8.169 ( 0.737 -1.512 6.280) 6.501 8.449 ( 2.629 -4.669 29.061) 29.551 8.917 ( -5.253 4.207 16.222) 17.563 9.256 ( 8.910 -0.967 -31.500) 32.751 9.700 ( 3.988 0.751 -16.646) 17.133 11.871 ( -4.996 -0.214 18.518) 19.181 12.129 ( 0.254 3.120 -13.065) 13.435 13.127 ( -1.134 0.615 17.178) 17.226 13.779 ( 3.008 -0.706 -19.364) 19.609 15.310 ( 17.333 -3.679 6.687) 18.939 15.586 ( 21.629 5.672 32.204) 39.205 18.382 ( -12.705 2.026 -1.160) 12.917 18.467 ( -9.924 -2.992 -4.790) 11.419 19.495 ( -8.855 4.769 -10.132) 14.276 19.709 ( -13.751 13.104 2.055) 19.106 23.448 ( 0.121 -5.635 0.194) 5.640 23.530 ( 0.329 -9.693 -1.398) 9.799 ======================= Grid point 419 (201/251) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 6.176 2.289 3.775) 7.592 2.659 ( 3.456 1.736 -0.659) 3.923 2.818 ( -7.113 -4.478 1.169) 8.486 2.985 ( 1.220 -2.447 2.347) 3.603 3.244 ( 5.132 -1.161 2.884) 6.000 3.346 ( -2.516 -1.792 -6.878) 7.540 3.843 ( 2.283 -2.737 -0.374) 3.584 4.105 ( 1.398 -2.046 2.145) 3.278 4.188 ( 9.927 -9.533 -8.219) 16.030 4.268 ( 1.846 5.454 3.355) 6.664 4.874 ( -9.998 -1.372 7.962) 12.854 5.457 ( -5.773 -0.291 -10.016) 11.564 6.263 ( 0.193 2.107 7.941) 8.218 6.644 ( -6.595 0.224 -2.524) 7.065 6.740 ( -1.095 0.968 8.335) 8.462 7.133 ( 4.157 5.020 -5.442) 8.491 7.502 ( 1.271 -0.638 -2.387) 2.779 7.626 ( 3.775 2.588 3.647) 5.852 7.864 ( -1.220 1.088 3.785) 4.123 8.196 ( 1.316 0.053 3.546) 3.783 8.587 ( 1.217 -2.679 27.533) 27.690 8.843 ( -2.389 2.650 14.116) 14.560 9.335 ( 7.202 -0.934 -32.976) 33.766 9.708 ( 1.797 1.144 -13.246) 13.417 11.825 ( -5.760 -1.927 17.378) 18.409 12.092 ( 2.055 2.870 -12.503) 12.992 13.162 ( 0.888 0.375 19.234) 19.258 13.766 ( -0.085 -0.706 -20.234) 20.246 15.705 ( 19.253 -5.984 11.035) 22.984 15.922 ( 14.247 5.854 29.842) 33.582 18.107 ( -12.858 1.827 -4.593) 13.775 18.271 ( -13.813 -2.096 -9.061) 16.652 19.354 ( -5.986 7.482 9.175) 13.266 19.443 ( -2.662 2.606 -12.949) 13.474 23.488 ( 0.425 -1.894 0.284) 1.962 23.605 ( 0.351 -6.186 -1.815) 6.457 ======================= Grid point 420 (202/251) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( -2.176 2.637 0.699) 3.490 2.692 ( 0.816 -0.271 -0.703) 1.111 2.779 ( -1.704 -2.256 7.972) 8.459 3.037 ( 2.612 -0.158 2.525) 3.636 3.255 ( -4.916 -0.820 -2.291) 5.485 3.347 ( 3.243 -2.505 -5.756) 7.065 3.865 ( -1.430 1.297 1.426) 2.401 4.122 ( -1.084 -1.974 2.053) 3.047 4.210 ( -2.233 4.234 2.510) 5.405 4.393 ( 2.227 -2.731 -6.062) 7.012 4.811 ( 1.780 -1.480 5.111) 5.611 5.371 ( -0.985 2.612 -6.549) 7.119 6.312 ( 4.776 1.650 10.100) 11.294 6.494 ( -5.579 3.071 -3.381) 7.210 6.791 ( 0.723 -6.109 6.980) 9.304 7.118 ( 1.448 4.918 -6.316) 8.135 7.479 ( -5.259 -0.226 3.683) 6.424 7.667 ( 1.060 -2.073 -0.332) 2.352 7.815 ( -4.866 1.072 10.804) 11.897 8.237 ( 2.978 0.319 -1.254) 3.247 8.642 ( -1.925 1.269 29.189) 29.280 8.865 ( 1.171 -3.005 6.206) 6.994 9.377 ( 5.201 -0.608 -33.243) 33.653 9.685 ( -0.004 1.495 -10.896) 10.998 11.788 ( -5.345 -3.354 16.977) 18.111 12.097 ( 3.970 1.735 -12.436) 13.169 13.227 ( 1.659 -0.093 19.846) 19.916 13.706 ( -2.189 -0.455 -19.990) 20.115 15.895 ( -5.233 7.340 21.338) 23.164 16.240 ( 16.304 -13.705 4.282) 21.725 17.988 ( 1.153 -0.045 -1.916) 2.236 18.013 ( -12.135 0.591 -4.728) 13.037 19.187 ( -6.334 6.117 13.013) 15.712 19.482 ( 7.400 -1.702 -13.934) 15.868 23.496 ( 0.853 2.877 0.778) 3.100 23.644 ( 0.435 -1.978 -3.029) 3.644 ======================= Grid point 421 (203/251) ======================= q-point: (-0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.566 ( -5.075 1.330 3.421) 6.263 2.663 ( -5.780 -3.668 2.167) 7.181 2.824 ( 4.254 2.159 4.749) 6.731 3.078 ( -0.108 -1.237 -2.871) 3.128 3.153 ( -4.177 2.224 6.111) 7.729 3.413 ( 2.123 -1.904 -11.560) 11.906 3.774 ( -5.547 5.407 3.166) 8.368 4.044 ( -10.198 4.368 7.295) 13.278 4.146 ( -0.583 -0.461 -2.714) 2.814 4.352 ( -2.679 1.128 -3.561) 4.597 4.960 ( 11.006 -0.247 4.250) 11.800 5.354 ( 4.496 4.473 -3.883) 7.437 6.313 ( -3.001 5.404 1.615) 6.388 6.521 ( 8.026 -3.087 8.349) 11.986 6.881 ( 0.900 -7.631 -0.138) 7.685 7.083 ( -0.147 2.613 -3.828) 4.637 7.351 ( -10.182 -0.067 11.262) 15.182 7.703 ( -0.884 -5.628 -0.722) 5.742 7.732 ( -6.128 0.651 10.843) 12.472 8.271 ( 1.714 1.427 -1.576) 2.731 8.645 ( -3.458 1.384 26.852) 27.109 8.925 ( 0.196 -5.444 -1.823) 5.744 9.386 ( 3.177 -0.314 -28.490) 28.668 9.637 ( -0.673 2.225 -11.559) 11.790 11.778 ( -3.971 -3.997 17.584) 18.465 12.139 ( 4.934 0.184 -12.902) 13.814 13.296 ( 0.732 -0.529 19.359) 19.380 13.620 ( -3.009 -0.076 -18.677) 18.918 15.630 ( -19.156 6.019 12.839) 23.833 16.531 ( -3.495 -18.882 -22.462) 29.551 17.921 ( 6.537 -0.481 13.410) 14.926 18.136 ( 12.487 0.447 4.259) 13.201 19.090 ( -3.334 2.971 12.716) 13.478 19.637 ( 10.942 -2.993 -11.010) 15.808 23.468 ( 1.195 7.734 1.321) 7.937 23.643 ( 0.404 2.058 -4.477) 4.944 ======================= Grid point 422 (204/251) ======================= q-point: (-0.30 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( -13.293 -0.566 4.439) 14.026 2.570 ( -9.856 -2.138 2.914) 10.497 2.863 ( 1.348 3.817 0.652) 4.100 2.988 ( -6.823 1.449 4.629) 8.372 3.183 ( 6.096 3.054 3.636) 7.727 3.349 ( -4.533 3.328 -14.230) 15.301 3.578 ( -10.041 9.170 5.314) 14.599 3.900 ( -0.979 1.172 1.895) 2.434 4.144 ( -0.501 -1.406 -1.403) 2.048 4.304 ( -2.107 0.071 -0.704) 2.222 5.187 ( 13.768 0.951 9.298) 16.641 5.439 ( 10.815 3.823 -4.463) 12.309 6.219 ( -3.576 3.351 5.559) 7.410 6.714 ( 6.254 -3.070 5.238) 8.716 6.946 ( 0.826 -5.570 -5.507) 7.877 7.026 ( -5.144 0.004 0.330) 5.154 7.233 ( -5.211 0.623 14.204) 15.142 7.654 ( -5.706 -2.364 10.782) 12.426 7.742 ( -1.849 -8.503 -0.901) 8.749 8.250 ( -1.282 3.834 -0.523) 4.076 8.603 ( -6.600 1.529 24.763) 25.673 8.956 ( -0.625 -5.714 -12.194) 13.481 9.368 ( -0.408 -0.012 -12.450) 12.457 9.580 ( 0.867 2.726 -19.338) 19.549 11.799 ( -2.401 -3.686 18.853) 19.360 12.200 ( 4.591 -1.171 -13.511) 14.317 13.337 ( -1.567 -0.424 19.198) 19.267 13.531 ( -2.415 0.078 -16.893) 17.065 15.259 ( -19.996 3.176 7.641) 21.641 16.333 ( -24.254 -12.754 -38.446) 47.213 18.246 ( 15.217 -3.811 11.910) 19.696 18.413 ( 19.289 -2.311 5.648) 20.231 19.104 ( 4.038 -2.465 19.127) 19.704 19.861 ( 12.911 -4.660 -6.930) 15.376 23.404 ( 1.164 11.616 2.160) 11.872 23.603 ( 0.153 5.191 -6.027) 7.955 ======================= Grid point 423 (205/251) ======================= q-point: (-0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( -23.426 0.384 4.849) 23.926 2.317 ( -18.686 4.460 -1.669) 19.283 2.807 ( -4.816 4.570 5.032) 8.331 2.844 ( -5.616 5.757 7.875) 11.256 3.227 ( 2.744 2.374 -17.682) 18.050 3.267 ( -0.436 2.392 8.231) 8.583 3.458 ( 5.783 4.039 3.596) 7.918 3.932 ( 2.967 -0.478 -1.429) 3.328 4.146 ( -0.780 -1.901 -1.546) 2.572 4.254 ( -4.159 -0.167 -0.376) 4.179 5.457 ( 14.916 1.153 17.385) 22.936 5.635 ( 16.386 2.495 -7.981) 18.396 6.158 ( -3.549 0.534 10.422) 11.023 6.722 ( -8.498 -2.808 5.787) 10.658 6.919 ( -3.572 3.357 -7.995) 9.378 6.992 ( -4.308 -5.658 -4.501) 8.416 7.256 ( 6.564 0.441 14.484) 15.908 7.638 ( -2.726 -5.320 6.288) 8.676 7.792 ( -2.069 -9.029 3.598) 9.937 8.160 ( -3.367 5.755 -0.559) 6.691 8.499 ( -9.964 1.095 25.117) 27.044 8.960 ( 0.586 -3.796 -21.200) 21.545 9.313 ( -4.767 0.796 6.742) 8.295 9.541 ( 3.395 2.074 -29.464) 29.732 11.838 ( -1.377 -2.587 20.171) 20.383 12.253 ( 3.305 -1.692 -13.977) 14.462 13.331 ( -4.086 0.064 19.812) 20.229 13.474 ( 0.055 -0.238 -15.043) 15.045 14.948 ( -14.680 1.180 5.391) 15.683 15.879 ( -26.799 -6.995 -37.812) 46.871 18.449 ( 7.304 0.619 4.603) 8.656 18.685 ( 6.471 -0.433 -6.022) 8.850 19.493 ( 24.022 -15.771 23.423) 37.073 20.119 ( 11.881 -5.258 -1.721) 13.106 23.312 ( 0.626 13.014 3.863) 13.590 23.531 ( -0.398 6.459 -7.642) 10.014 ======================= Grid point 424 (206/251) ======================= q-point: (-0.10 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -21.736 2.862 8.059) 23.358 1.916 ( -17.047 6.214 -6.948) 19.429 2.647 ( -8.907 3.942 20.290) 22.507 2.789 ( 0.498 2.184 -3.139) 3.856 3.232 ( -2.255 1.422 4.285) 5.046 3.272 ( 6.746 0.621 -11.871) 13.668 3.628 ( 12.099 0.274 2.285) 12.316 3.976 ( 1.654 -0.232 -2.013) 2.616 4.137 ( -2.321 -1.563 -2.023) 3.453 4.157 ( -5.378 0.654 -2.088) 5.807 5.730 ( 10.260 1.223 26.150) 28.117 5.910 ( 19.258 1.226 -11.816) 22.627 6.131 ( -1.756 -1.346 11.829) 12.034 6.606 ( -7.023 -1.837 7.941) 10.759 6.741 ( -12.218 1.755 -7.175) 14.277 6.921 ( -4.930 -2.023 -10.089) 11.409 7.451 ( 10.500 -0.606 8.007) 13.219 7.643 ( -3.668 -3.424 2.895) 5.793 7.848 ( -0.184 -5.299 7.532) 9.211 8.059 ( -2.379 3.431 -1.257) 4.361 8.360 ( -11.549 0.649 29.464) 31.653 8.963 ( 3.198 -1.375 -26.099) 26.330 9.228 ( -6.389 0.893 13.605) 15.057 9.530 ( 4.526 0.983 -30.752) 31.099 11.880 ( -1.124 -1.212 21.050) 21.115 12.280 ( 1.845 -1.155 -14.233) 14.399 13.290 ( -5.054 0.057 18.449) 19.128 13.478 ( 3.499 -0.301 -12.124) 12.622 14.766 ( -6.862 0.121 5.739) 8.947 15.420 ( -21.480 -2.651 -31.225) 37.992 18.545 ( 3.907 0.633 2.839) 4.870 18.710 ( 0.152 0.873 -5.983) 6.048 20.101 ( 20.852 -15.541 8.354) 27.315 20.324 ( 6.695 -2.381 2.428) 7.509 23.222 ( 0.081 9.460 6.708) 11.597 23.447 ( -0.947 4.729 -9.095) 10.295 ======================= Grid point 426 (207/251) ======================= q-point: ( 0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 23.209 0.000 -3.086) 23.414 2.209 ( 29.542 0.000 3.609) 29.761 2.542 ( 1.303 0.000 23.172) 23.209 2.892 ( 3.910 0.000 -0.492) 3.940 2.981 ( -6.396 -0.000 -2.933) 7.036 3.542 ( -9.334 -0.000 -5.501) 10.834 3.556 ( 5.859 0.000 -14.609) 15.740 3.879 ( -2.921 -0.000 5.130) 5.903 4.102 ( -0.541 -0.000 3.161) 3.207 4.306 ( 7.209 0.000 -5.216) 8.898 5.276 ( -17.789 -0.000 16.739) 24.426 5.827 ( -15.638 -0.000 -14.120) 21.070 6.449 ( -1.018 -0.000 -15.349) 15.383 6.578 ( -2.936 -0.000 19.593) 19.812 6.864 ( 8.533 0.000 -4.028) 9.436 6.951 ( 13.633 0.000 5.408) 14.666 7.402 ( -2.588 -0.000 -1.331) 2.910 7.692 ( 1.595 0.000 5.850) 6.064 8.001 ( 1.598 0.000 -2.555) 3.013 8.002 ( 0.425 0.000 5.510) 5.526 8.289 ( -0.564 -0.000 37.044) 37.049 9.031 ( -4.470 -0.000 16.162) 16.769 9.147 ( 9.679 0.000 -32.712) 34.114 9.654 ( 6.010 0.000 -21.139) 21.977 11.915 ( -4.018 -0.000 20.232) 20.628 12.211 ( -0.582 -0.000 -13.631) 13.643 13.145 ( -3.491 -0.000 14.443) 14.859 13.730 ( 5.931 0.000 -17.296) 18.285 15.026 ( 9.523 0.000 -0.294) 9.528 15.224 ( 20.029 0.000 28.714) 35.009 18.528 ( -5.703 -0.000 -4.930) 7.539 18.575 ( -4.580 -0.000 4.122) 6.161 19.891 ( -19.267 -0.000 -7.254) 20.587 20.235 ( -15.492 -0.000 -2.533) 15.698 23.282 ( 2.236 0.000 8.928) 9.204 23.348 ( 1.499 0.000 -8.698) 8.826 ======================= Grid point 427 (208/251) ======================= q-point: ( 0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 13.880 1.313 -2.403) 14.148 2.592 ( 11.036 5.474 10.906) 16.453 2.739 ( 12.005 -9.601 9.164) 17.896 2.875 ( -5.149 -0.652 -4.297) 6.738 3.000 ( 9.179 -1.405 2.068) 9.514 3.431 ( -0.797 1.904 -2.715) 3.411 3.639 ( 6.170 -4.715 -14.068) 16.069 3.852 ( -1.387 -1.590 5.128) 5.545 4.092 ( -1.641 -0.652 4.111) 4.474 4.384 ( 4.653 3.277 -5.588) 7.976 5.031 ( -14.114 -0.466 13.289) 19.392 5.559 ( -12.662 -2.892 -14.865) 19.740 6.374 ( -1.426 4.762 -6.013) 7.802 6.566 ( -5.826 -5.765 16.583) 18.498 6.921 ( -0.913 2.327 -4.900) 5.501 7.122 ( 6.682 1.451 0.327) 6.846 7.428 ( 6.058 -0.335 -4.733) 7.696 7.729 ( 3.734 5.792 6.747) 9.645 7.950 ( -0.823 5.916 0.932) 6.046 8.095 ( 1.781 -6.891 1.347) 7.243 8.375 ( 0.469 -2.371 36.756) 36.835 8.987 ( -3.765 2.584 17.708) 18.287 9.241 ( 9.051 -0.540 -34.013) 35.201 9.700 ( 3.895 -0.287 -18.870) 19.270 11.869 ( -6.249 -0.027 19.482) 20.460 12.169 ( -0.208 1.153 -12.680) 12.734 13.135 ( -1.364 0.220 17.092) 17.147 13.769 ( 2.958 -0.293 -19.460) 19.685 15.261 ( 15.479 -1.493 6.327) 16.789 15.663 ( 22.221 2.332 35.655) 42.077 18.397 ( -8.918 -0.250 -5.506) 10.483 18.438 ( -12.547 -0.191 1.812) 12.679 19.558 ( -12.537 1.995 -14.727) 19.443 19.903 ( -17.608 6.402 0.933) 18.759 23.364 ( 2.998 -3.027 5.114) 6.656 23.393 ( 3.358 -4.162 -5.575) 7.725 ======================= Grid point 428 (209/251) ======================= q-point: ( 0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.631 ( 0.844 -1.892 -5.486) 5.864 2.728 ( 6.603 3.870 13.027) 15.109 2.774 ( -4.611 0.803 -3.238) 5.691 2.930 ( 3.421 -3.779 5.013) 7.150 3.221 ( 9.688 -0.861 1.220) 9.802 3.418 ( 3.575 8.474 -2.884) 9.639 3.772 ( 2.602 -4.868 -1.284) 5.667 3.979 ( 11.392 -11.230 -1.431) 16.060 4.082 ( -1.410 -1.301 4.554) 4.942 4.388 ( 2.483 6.058 -5.343) 8.451 4.857 ( -9.116 0.201 8.894) 12.738 5.390 ( -7.742 -5.949 -13.821) 16.922 6.313 ( -0.199 3.808 3.924) 5.471 6.559 ( -5.098 -7.076 8.593) 12.243 6.811 ( -5.051 4.529 -4.136) 7.945 7.180 ( 1.339 -0.019 -2.987) 3.274 7.541 ( 7.918 3.228 -3.945) 9.417 7.716 ( -0.663 6.812 7.127) 9.881 7.885 ( -2.829 2.240 3.033) 4.714 8.169 ( 1.213 -3.847 0.430) 4.057 8.513 ( 2.605 -4.185 32.375) 32.748 8.929 ( -3.095 5.407 17.855) 18.911 9.316 ( 7.291 -1.080 -35.149) 35.913 9.709 ( 0.991 -0.806 -16.367) 16.416 11.794 ( -7.407 -1.238 18.829) 20.271 12.135 ( 0.931 1.651 -11.711) 11.863 13.168 ( 0.604 0.265 19.771) 19.782 13.754 ( -0.102 -0.601 -20.382) 20.391 15.596 ( 17.195 -4.715 9.837) 20.363 16.036 ( 13.168 5.198 37.217) 39.818 18.139 ( -15.047 1.629 -4.251) 15.721 18.234 ( -12.076 -1.846 -7.271) 14.216 19.409 ( 0.003 0.751 -14.815) 14.834 19.562 ( -14.015 7.260 3.576) 16.184 23.451 ( 4.181 -1.803 -1.368) 4.754 23.499 ( 3.931 -4.974 -0.441) 6.355 ======================= Grid point 429 (210/251) ======================= q-point: (-0.60 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( -2.704 -4.186 -3.119) 5.879 2.670 ( -4.691 0.221 0.308) 4.706 2.822 ( 5.156 4.657 7.215) 10.016 3.024 ( 3.830 -0.580 5.559) 6.776 3.309 ( 2.240 1.134 -0.503) 2.560 3.372 ( 1.559 9.726 -2.378) 10.134 3.835 ( -0.085 -4.080 4.117) 5.796 4.083 ( -1.181 -2.005 4.018) 4.644 4.273 ( 6.924 -3.782 -6.279) 10.083 4.363 ( 3.556 4.417 -1.297) 5.817 4.767 ( -1.824 -1.960 5.692) 6.290 5.335 ( -2.177 -6.144 -10.529) 12.384 6.334 ( 4.127 1.188 7.817) 8.919 6.521 ( -5.584 -1.760 -2.715) 6.454 6.713 ( -2.579 -0.622 3.573) 4.450 7.167 ( -1.493 -0.282 -6.207) 6.390 7.558 ( -2.127 8.672 5.530) 10.503 7.660 ( -0.724 1.038 2.065) 2.422 7.821 ( -4.811 -0.097 8.453) 9.727 8.221 ( 1.803 -2.478 -1.893) 3.601 8.643 ( 0.681 -1.382 28.537) 28.579 8.872 ( -1.743 3.870 13.040) 13.714 9.358 ( 5.159 -1.407 -35.426) 35.828 9.684 ( -1.026 -1.454 -13.628) 13.744 11.729 ( -6.676 -2.882 18.438) 19.820 12.124 ( 2.261 1.188 -11.222) 11.508 13.229 ( 1.356 0.243 20.914) 20.959 13.694 ( -2.223 -0.830 -20.236) 20.374 15.933 ( 9.070 -6.075 9.298) 14.340 16.115 ( -5.462 3.001 25.551) 26.300 17.986 ( 0.605 -0.184 -2.481) 2.560 18.017 ( -10.616 -0.101 -4.256) 11.438 19.305 ( -8.841 6.222 8.201) 13.570 19.456 ( 6.801 -1.086 -16.276) 17.673 23.532 ( 4.976 1.084 -1.620) 5.344 23.602 ( 4.179 -2.442 -1.787) 5.160 ======================= Grid point 430 (211/251) ======================= q-point: (-0.50 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -5.712 -1.400 3.779) 6.990 2.618 ( -2.548 0.215 -0.406) 2.589 2.874 ( 3.684 2.558 5.008) 6.723 3.076 ( 1.367 2.211 1.259) 2.888 3.285 ( 1.924 11.308 6.852) 13.361 3.356 ( 1.664 -3.309 -7.796) 8.631 3.838 ( -2.988 0.331 4.245) 5.202 4.082 ( -2.559 -0.926 6.113) 6.692 4.215 ( -3.634 8.991 -3.029) 10.160 4.362 ( -2.730 0.453 -5.388) 6.057 4.915 ( 11.048 -5.100 4.752) 13.063 5.369 ( 2.795 -3.483 -6.043) 7.514 6.395 ( -2.662 2.948 -6.138) 7.311 6.485 ( 7.200 -1.252 8.568) 11.261 6.728 ( -1.833 -6.685 4.602) 8.320 7.118 ( -2.470 -0.465 -7.464) 7.875 7.393 ( -10.099 4.861 14.211) 18.100 7.652 ( -0.348 0.451 0.208) 0.606 7.746 ( -6.367 0.586 9.259) 11.252 8.265 ( 1.154 -2.022 -2.009) 3.075 8.669 ( -3.970 1.525 27.640) 27.966 8.868 ( 0.014 -0.854 3.688) 3.786 9.368 ( 2.863 -1.706 -32.132) 32.305 9.646 ( -1.387 -1.272 -12.909) 13.046 11.702 ( -4.670 -4.059 18.569) 19.573 12.141 ( 3.040 -0.027 -11.453) 11.850 13.292 ( 0.694 0.095 20.223) 20.235 13.612 ( -3.043 -0.782 -18.527) 18.791 15.748 ( -21.800 6.517 14.995) 27.250 16.200 ( -4.701 -16.337 -9.462) 19.456 17.919 ( 2.416 0.158 9.899) 10.191 18.136 ( 12.691 -0.399 4.650) 13.522 19.156 ( -5.312 3.986 9.046) 11.222 19.587 ( 10.101 -2.287 -15.540) 18.675 23.589 ( 5.140 5.221 -1.034) 7.399 23.674 ( 4.235 1.359 -3.992) 5.977 ======================= Grid point 431 (212/251) ======================= q-point: (-0.40 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.449 ( -10.533 3.197 4.684) 11.963 2.559 ( -4.095 1.085 2.415) 4.876 2.927 ( 3.148 2.286 3.175) 5.022 3.033 ( -1.876 4.528 0.276) 4.909 3.276 ( 4.564 6.982 9.659) 12.763 3.372 ( -1.290 -0.106 -10.526) 10.605 3.747 ( -4.803 7.119 3.367) 9.225 3.963 ( -6.573 6.542 5.665) 10.867 4.121 ( -1.239 -0.402 -1.933) 2.331 4.301 ( -2.519 -0.299 -5.700) 6.239 5.182 ( 14.078 -2.247 6.522) 15.678 5.471 ( 8.079 -0.986 -2.834) 8.619 6.294 ( -3.584 4.080 0.073) 5.431 6.670 ( 6.908 -1.747 5.568) 9.043 6.766 ( -2.484 -10.106 -0.384) 10.414 7.059 ( -3.331 -0.199 -6.756) 7.535 7.240 ( -7.024 0.864 18.671) 19.967 7.629 ( -6.547 -0.271 1.718) 6.774 7.647 ( -2.388 -1.253 7.013) 7.513 8.276 ( -1.544 -0.801 0.002) 1.739 8.624 ( -6.437 0.860 24.828) 25.663 8.879 ( -0.269 -2.429 -5.347) 5.879 9.350 ( -0.199 -2.085 -20.862) 20.967 9.607 ( 0.058 -0.085 -17.540) 17.541 11.721 ( -2.465 -4.480 19.265) 19.932 12.175 ( 2.979 -1.448 -12.197) 12.639 13.332 ( -1.062 0.001 18.928) 18.957 13.528 ( -2.738 -0.455 -15.719) 15.962 15.327 ( -22.345 4.122 8.836) 24.379 16.065 ( -21.361 -15.459 -27.333) 37.978 18.161 ( 16.312 -4.671 18.878) 25.383 18.388 ( 13.922 -0.776 6.275) 15.290 19.091 ( -1.831 0.750 13.263) 13.410 19.772 ( 11.357 -4.573 -14.323) 18.843 23.605 ( 4.474 9.505 -0.426) 10.514 23.704 ( 4.040 5.651 -6.004) 9.181 ======================= Grid point 432 (213/251) ======================= q-point: (-0.30 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.174 ( -16.865 6.804 6.484) 19.307 2.425 ( -8.906 7.195 -0.355) 11.454 2.907 ( -1.583 6.080 0.238) 6.287 2.954 ( -4.101 5.497 6.785) 9.647 3.282 ( -0.753 2.613 -7.805) 8.265 3.335 ( 3.635 5.963 8.080) 10.680 3.585 ( -0.893 9.649 1.801) 9.856 3.918 ( 1.845 -0.935 -1.026) 2.309 4.109 ( -1.512 -1.950 -0.205) 2.476 4.246 ( -3.311 -0.516 -4.820) 5.870 5.471 ( 15.602 -0.337 11.932) 19.645 5.660 ( 13.660 -0.373 -2.852) 13.960 6.200 ( -4.073 3.940 7.667) 9.534 6.656 ( -9.261 -4.360 4.078) 11.019 6.859 ( -0.879 -7.798 -4.479) 9.036 6.971 ( -4.530 1.263 -7.354) 8.729 7.251 ( 3.661 -1.509 15.742) 16.232 7.535 ( -5.729 -4.354 4.648) 8.566 7.668 ( 0.170 -3.769 5.804) 6.922 8.223 ( -4.382 1.099 0.832) 4.594 8.527 ( -9.579 1.733 23.840) 25.750 8.891 ( 1.437 -3.307 -14.967) 15.396 9.308 ( -3.561 -1.665 -3.347) 5.163 9.575 ( 2.222 1.047 -25.832) 25.949 11.775 ( -1.025 -4.095 20.155) 20.592 12.213 ( 2.330 -2.537 -13.071) 13.517 13.333 ( -3.597 0.226 19.466) 19.797 13.468 ( -0.554 -0.457 -14.136) 14.154 14.977 ( -16.195 1.905 5.824) 17.315 15.706 ( -24.735 -11.314 -31.443) 41.575 18.456 ( 9.011 -0.300 8.882) 12.656 18.657 ( 10.729 -3.004 -2.104) 11.338 19.219 ( 9.562 -11.730 27.613) 31.488 19.992 ( 10.426 -7.698 -11.552) 17.361 23.568 ( 3.108 13.097 0.105) 13.462 23.682 ( 3.104 9.675 -7.342) 12.536 ======================= Grid point 433 (214/251) ======================= q-point: (-0.20 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -15.250 10.916 9.841) 21.180 2.113 ( -12.563 14.395 -6.969) 20.338 2.770 ( -7.285 8.644 13.966) 17.968 2.859 ( -0.509 5.073 -0.436) 5.117 3.287 ( 0.743 4.354 0.704) 4.473 3.303 ( 3.091 3.588 -3.912) 6.142 3.641 ( 9.665 1.333 2.196) 10.000 3.961 ( 1.044 -1.657 -3.039) 3.615 4.100 ( -1.798 -2.349 -0.233) 2.967 4.167 ( -4.342 0.564 -4.809) 6.504 5.763 ( 12.969 1.675 19.908) 23.819 5.927 ( 17.115 -0.521 -3.254) 17.429 6.117 ( -3.948 1.186 8.606) 9.543 6.541 ( -8.607 -5.132 5.662) 11.510 6.778 ( -10.871 0.619 -5.975) 12.420 6.865 ( -4.895 -2.839 -10.316) 11.766 7.419 ( 7.824 -3.468 8.533) 12.085 7.535 ( -2.580 -7.554 3.254) 8.620 7.745 ( 2.583 -3.996 10.119) 11.182 8.120 ( -4.865 2.455 -1.956) 5.790 8.382 ( -10.983 1.723 27.438) 29.605 8.924 ( 3.965 -2.550 -22.481) 22.970 9.242 ( -5.774 -0.017 9.725) 11.310 9.555 ( 3.903 1.263 -30.083) 30.362 11.839 ( -0.711 -3.092 20.798) 21.039 12.242 ( 1.463 -2.873 -13.769) 14.142 13.292 ( -5.316 0.193 18.563) 19.310 13.468 ( 3.300 -0.724 -11.882) 12.353 14.770 ( -7.826 0.294 5.499) 9.570 15.330 ( -19.706 -6.831 -27.661) 34.643 18.565 ( 3.756 1.472 4.877) 6.330 18.736 ( 1.440 1.687 -6.683) 7.041 19.700 ( 14.646 -24.765 24.051) 37.499 20.201 ( 6.241 -9.883 -8.269) 14.318 23.478 ( 1.551 15.418 1.089) 15.534 23.603 ( 1.067 11.858 -7.775) 14.220 ======================= Grid point 434 (215/251) ======================= q-point: (-0.10 0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 1.245 11.682 12.475) 17.137 1.821 ( -1.391 12.634 -9.963) 16.149 2.612 ( -6.186 7.474 20.728) 22.886 2.831 ( 2.046 3.637 -2.731) 4.988 3.206 ( -3.883 3.277 1.225) 5.227 3.385 ( 7.626 1.565 -9.654) 12.402 3.814 ( 7.823 -1.175 4.170) 8.943 3.921 ( -7.030 -0.781 -4.723) 8.505 4.081 ( -0.882 -0.238 0.433) 1.011 4.118 ( 1.009 -0.452 -5.574) 5.683 5.800 ( -11.857 3.054 25.760) 28.522 6.205 ( 15.219 0.001 -12.407) 19.635 6.250 ( 16.474 -2.864 10.500) 19.744 6.441 ( -13.194 -2.885 -4.988) 14.397 6.590 ( -2.684 1.671 6.828) 7.525 6.784 ( -4.938 -3.148 -9.986) 11.576 7.536 ( -3.590 -5.319 5.027) 8.152 7.583 ( 3.011 -3.651 1.190) 4.880 7.866 ( 4.678 -2.506 10.901) 12.124 8.026 ( -2.817 0.686 -5.544) 6.256 8.264 ( -7.989 1.765 34.598) 35.552 8.977 ( 6.443 -1.334 -27.527) 28.302 9.157 ( -6.146 0.935 13.963) 15.284 9.560 ( 5.213 0.977 -27.998) 28.496 11.892 ( -1.210 -1.899 21.015) 21.135 12.254 ( 0.594 -2.382 -14.161) 14.372 13.237 ( -5.298 -0.294 15.907) 16.769 13.538 ( 6.699 -0.527 -10.934) 12.834 14.731 ( 1.468 -0.872 9.580) 9.731 15.056 ( -10.423 -2.725 -19.353) 22.149 18.603 ( 1.070 0.912 3.572) 3.839 18.700 ( -1.378 2.403 -5.646) 6.289 20.134 ( 2.503 -22.305 12.782) 25.830 20.334 ( 0.546 -10.679 -6.889) 12.720 23.359 ( 0.487 14.753 3.773) 15.235 23.483 ( -0.687 10.276 -7.866) 12.959 ======================= Grid point 437 (216/251) ======================= q-point: ( 0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.607 ( -1.201 -0.000 -4.714) 4.865 2.752 ( -3.143 -0.000 5.720) 6.527 2.847 ( 6.856 0.000 10.807) 12.798 2.850 ( 4.551 0.000 -1.420) 4.767 3.212 ( 11.029 0.000 0.842) 11.061 3.580 ( 12.330 0.000 6.027) 13.724 3.663 ( 3.659 0.000 -13.393) 13.884 3.855 ( 3.134 0.000 5.253) 6.117 4.071 ( -1.107 -0.000 5.605) 5.713 4.448 ( 2.765 0.000 -9.285) 9.688 4.870 ( -7.340 -0.000 10.893) 13.136 5.315 ( -9.417 -0.000 -16.398) 18.910 6.385 ( 1.312 0.000 -9.459) 9.550 6.454 ( -7.192 -0.000 22.367) 23.495 6.859 ( -4.941 -0.000 -7.893) 9.312 7.170 ( -0.468 -0.000 -0.036) 0.469 7.573 ( 9.933 0.000 -3.891) 10.668 7.786 ( -2.545 -0.000 5.531) 6.088 7.958 ( -4.215 -0.000 5.207) 6.700 8.083 ( 2.389 0.000 -1.964) 3.093 8.472 ( 3.115 0.000 35.468) 35.604 8.988 ( -2.724 -0.000 20.045) 20.229 9.304 ( 7.238 0.000 -36.560) 37.270 9.697 ( 0.605 0.000 -18.715) 18.725 11.783 ( -8.081 -0.000 19.402) 21.017 12.150 ( 0.494 0.000 -11.433) 11.444 13.170 ( 0.530 0.000 20.126) 20.133 13.748 ( -0.144 -0.000 -20.557) 20.558 15.551 ( 16.059 0.000 10.248) 19.050 16.086 ( 13.304 0.000 39.254) 41.447 18.158 ( -16.511 -0.000 -3.487) 16.876 18.214 ( -10.864 -0.000 -7.229) 13.049 19.416 ( -0.579 -0.000 -16.961) 16.971 19.635 ( -15.977 -0.000 2.689) 16.202 23.438 ( 4.835 0.000 7.348) 8.796 23.444 ( 6.426 0.000 -9.096) 11.137 ======================= Grid point 438 (217/251) ======================= q-point: ( 0.30 0.20 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -2.626 -1.998 -2.638) 4.224 2.675 ( -3.621 0.125 -0.717) 3.694 2.885 ( 2.035 1.680 0.350) 2.663 3.034 ( 8.952 1.189 13.300) 16.077 3.309 ( 1.133 -0.187 -1.217) 1.673 3.604 ( 1.736 10.909 -1.344) 11.128 3.768 ( 1.660 -1.118 9.663) 9.868 4.032 ( 4.914 -5.207 1.223) 7.263 4.139 ( 9.731 -5.814 3.662) 11.912 4.449 ( 1.936 2.380 -10.698) 11.129 4.793 ( -2.678 4.115 7.321) 8.815 5.191 ( -4.172 -7.379 -15.262) 17.458 6.369 ( 1.764 2.952 4.595) 5.740 6.445 ( -2.481 -4.965 5.274) 7.656 6.747 ( -4.050 2.158 -6.546) 7.995 7.137 ( -3.663 -1.672 -1.476) 4.289 7.678 ( -9.855 1.914 10.708) 14.678 7.709 ( 6.771 2.831 -1.423) 7.476 7.854 ( -5.135 4.960 5.543) 9.039 8.140 ( 0.825 -5.481 -1.430) 5.724 8.613 ( 3.353 -1.143 28.697) 28.915 8.962 ( -3.304 4.055 19.576) 20.263 9.331 ( 4.594 -1.191 -37.006) 37.309 9.650 ( -1.747 -1.576 -18.627) 18.775 11.692 ( -7.434 -1.114 19.387) 20.794 12.138 ( 1.209 0.398 -10.532) 10.608 13.234 ( 1.274 0.178 22.226) 22.263 13.681 ( -2.297 -0.440 -20.990) 21.119 15.826 ( 10.067 -3.476 8.628) 13.707 16.190 ( -10.410 2.773 32.020) 33.783 17.983 ( 0.038 -0.062 -2.955) 2.956 18.013 ( -9.717 -0.196 -4.114) 10.554 19.391 ( -10.979 2.726 4.556) 12.195 19.443 ( 6.571 -0.393 -17.089) 18.313 23.544 ( 6.754 0.494 0.555) 6.795 23.564 ( 7.382 -1.509 -4.407) 8.729 ======================= Grid point 439 (218/251) ======================= q-point: (-0.60 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -2.871 -1.953 3.002) 4.590 2.645 ( 0.641 1.565 -1.447) 2.226 2.898 ( 0.836 0.264 0.219) 0.903 3.163 ( 6.059 6.276 9.506) 12.902 3.307 ( -0.197 -1.890 -4.887) 5.244 3.515 ( 0.002 11.207 6.263) 12.838 3.800 ( -1.717 -2.631 10.679) 11.132 4.079 ( 0.695 1.854 3.546) 4.061 4.318 ( 2.344 -0.629 -7.535) 7.916 4.429 ( -1.407 6.022 -3.882) 7.302 4.806 ( 7.470 -3.728 6.547) 10.610 5.232 ( 2.001 -10.557 -10.400) 14.954 6.413 ( -0.767 -0.494 -10.760) 10.799 6.464 ( 4.992 -1.086 11.507) 12.590 6.677 ( -1.677 0.530 -0.893) 1.972 7.075 ( -5.070 -3.102 -4.049) 7.192 7.476 ( -13.470 2.768 16.370) 21.379 7.738 ( 0.335 8.223 2.640) 8.643 7.748 ( -3.715 0.025 4.570) 5.890 8.195 ( -0.183 -5.632 -0.638) 5.671 8.693 ( -2.203 0.741 26.609) 26.710 8.900 ( -2.307 4.244 11.396) 12.378 9.324 ( 1.208 -2.949 -32.513) 32.669 9.601 ( -1.289 -3.032 -19.347) 19.625 11.641 ( -4.959 -2.430 19.309) 20.084 12.139 ( 1.598 -0.138 -10.363) 10.486 13.298 ( 0.632 0.443 22.384) 22.398 13.595 ( -2.942 -0.889 -19.870) 20.106 15.850 ( -22.574 4.073 15.271) 27.557 15.967 ( -7.729 -8.669 0.073) 11.614 17.922 ( 0.762 0.121 7.816) 7.854 18.126 ( 12.839 -0.512 4.805) 13.718 19.222 ( -7.021 2.878 5.980) 9.661 19.557 ( 9.655 -1.048 -18.046) 20.493 23.654 ( 6.551 1.951 1.862) 7.084 23.693 ( 8.377 0.748 -7.836) 11.495 ======================= Grid point 440 (219/251) ======================= q-point: (-0.50 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -4.065 1.920 6.931) 8.261 2.620 ( 0.199 5.474 -0.493) 5.499 2.933 ( 2.825 -1.295 0.869) 3.226 3.159 ( 0.360 8.226 3.024) 8.771 3.320 ( 0.041 -1.336 -6.379) 6.517 3.467 ( 3.457 9.292 13.028) 16.371 3.800 ( -2.498 -0.654 7.510) 7.942 4.047 ( -3.788 2.201 5.953) 7.392 4.231 ( -5.284 12.231 -5.388) 14.372 4.300 ( -2.308 0.456 -8.412) 8.734 5.089 ( 13.842 -7.724 7.675) 17.611 5.386 ( 7.342 -8.493 -5.546) 12.522 6.346 ( -2.552 1.756 -6.394) 7.105 6.629 ( 6.419 -3.543 -0.448) 7.346 6.652 ( -1.606 -1.542 2.989) 3.727 7.007 ( -5.262 -4.050 -5.075) 8.358 7.269 ( -11.225 1.583 20.359) 23.302 7.655 ( -6.550 1.290 7.461) 10.011 7.683 ( -0.249 6.371 1.323) 6.512 8.225 ( -2.140 -4.704 1.394) 5.353 8.647 ( -6.981 1.836 26.161) 27.139 8.869 ( -0.615 1.264 0.240) 1.426 9.290 ( -2.099 -4.584 -22.049) 22.618 9.577 ( 0.659 -2.778 -22.854) 23.031 11.648 ( -2.249 -3.316 19.443) 19.852 12.150 ( 1.589 -1.228 -10.920) 11.103 13.338 ( -0.963 0.589 20.495) 20.526 13.515 ( -2.536 -0.900 -16.390) 16.610 15.399 ( -24.996 3.499 10.080) 27.178 15.813 ( -19.046 -11.414 -16.818) 27.854 18.094 ( 13.122 -2.670 19.727) 23.843 18.377 ( 12.696 -0.540 7.356) 14.683 19.118 ( -4.295 1.837 8.800) 9.963 19.706 ( 10.157 -2.629 -19.115) 21.805 23.732 ( 5.124 4.574 2.510) 7.313 23.799 ( 8.580 4.404 -10.205) 14.041 ======================= Grid point 441 (220/251) ======================= q-point: (-0.40 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -8.940 10.842 7.671) 16.010 2.566 ( -0.361 8.117 0.616) 8.148 2.991 ( 1.946 1.796 1.212) 2.912 3.063 ( -3.036 7.560 0.548) 8.165 3.311 ( 0.955 1.097 -1.007) 1.769 3.481 ( 3.154 8.827 11.304) 14.684 3.755 ( -2.183 6.233 3.651) 7.546 3.922 ( -5.097 2.297 2.119) 5.979 4.094 ( -2.037 1.983 -1.700) 3.312 4.243 ( -1.807 0.404 -10.418) 10.581 5.420 ( 14.798 -5.594 11.215) 19.392 5.611 ( 12.674 -5.257 -3.484) 14.156 6.271 ( -3.312 3.177 2.408) 5.183 6.580 ( -8.146 -3.216 -0.872) 8.801 6.738 ( -0.767 -5.329 -3.522) 6.433 6.942 ( -5.744 -4.175 -4.900) 8.627 7.211 ( 0.383 -1.946 17.350) 17.463 7.518 ( -7.278 2.310 3.205) 8.281 7.664 ( 1.818 3.055 7.641) 8.428 8.206 ( -4.645 -2.837 3.590) 6.520 8.554 ( -8.755 1.206 23.631) 25.229 8.853 ( 0.918 -0.626 -9.696) 9.759 9.247 ( -4.005 -5.110 -7.913) 10.236 9.568 ( 2.054 -1.766 -27.548) 27.681 11.702 ( -0.413 -3.677 19.832) 20.174 12.167 ( 1.299 -2.346 -11.912) 12.210 13.340 ( -3.295 0.563 19.628) 19.911 13.458 ( -0.852 -0.630 -13.512) 13.554 15.013 ( -18.171 1.906 6.335) 19.338 15.499 ( -22.012 -10.576 -22.920) 33.492 18.422 ( 13.011 -3.464 16.406) 21.224 18.596 ( 10.157 -2.607 4.806) 11.535 19.096 ( -0.606 -2.634 18.777) 18.970 19.867 ( 8.750 -5.596 -19.092) 21.735 23.754 ( 3.087 7.611 2.518) 8.590 23.857 ( 7.362 8.494 -11.286) 15.928 ======================= Grid point 442 (221/251) ======================= q-point: (-0.30 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -7.647 17.245 10.841) 21.758 2.403 ( -5.446 16.520 -5.720) 18.311 2.923 ( -3.413 7.427 3.161) 8.764 2.962 ( -2.239 5.938 3.342) 7.172 3.358 ( 6.370 3.499 0.660) 7.298 3.431 ( -2.102 9.412 7.303) 12.097 3.691 ( 3.701 4.620 1.569) 6.124 3.910 ( -0.315 -4.028 -2.620) 4.815 4.060 ( -2.056 -1.517 0.792) 2.675 4.182 ( -1.918 1.062 -9.931) 10.170 5.748 ( 14.087 -4.264 17.172) 22.617 5.895 ( 15.766 -2.439 -2.733) 16.186 6.173 ( -5.682 3.680 8.307) 10.716 6.439 ( -10.536 -4.880 0.433) 11.620 6.719 ( -5.037 -5.460 -6.704) 10.006 6.843 ( -7.845 -1.991 -5.994) 10.071 7.330 ( 3.699 -4.812 9.321) 11.123 7.425 ( -3.225 -3.183 2.081) 4.986 7.729 ( 5.661 1.814 11.957) 13.353 8.138 ( -5.409 -0.527 1.597) 5.665 8.419 ( -10.574 2.053 24.146) 26.440 8.880 ( 4.123 -2.065 -18.416) 18.984 9.209 ( -4.981 -3.801 5.926) 8.624 9.560 ( 3.110 -0.963 -30.700) 30.872 11.777 ( 0.087 -3.450 20.156) 20.449 12.184 ( 0.839 -3.216 -12.973) 13.392 13.298 ( -5.715 0.395 18.825) 19.677 13.454 ( 3.061 -0.768 -11.421) 11.849 14.775 ( -9.327 0.347 5.127) 10.649 15.191 ( -16.755 -7.893 -21.621) 28.469 18.592 ( 3.982 1.234 8.001) 9.022 18.755 ( 4.370 -0.180 -6.133) 7.533 19.302 ( 7.081 -17.227 33.023) 37.913 20.017 ( 4.892 -9.345 -17.660) 20.570 23.711 ( 0.833 10.312 2.544) 10.654 23.841 ( 4.499 12.519 -11.351) 17.487 ======================= Grid point 443 (222/251) ======================= q-point: (-0.20 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 3.190 19.472 12.892) 23.570 2.124 ( -2.367 19.632 -10.626) 22.448 2.783 ( -4.707 10.317 13.922) 17.956 2.912 ( 1.492 4.781 -0.567) 5.040 3.304 ( -3.972 7.591 1.637) 8.723 3.444 ( 8.144 5.063 -5.162) 10.891 3.784 ( 5.314 -1.951 4.678) 7.344 3.895 ( -4.648 -2.118 -4.440) 6.768 4.052 ( -1.061 -2.276 1.331) 2.842 4.131 ( 0.507 1.413 -8.520) 8.651 5.870 ( -12.144 3.941 23.551) 26.789 6.153 ( 13.388 -6.882 11.683) 19.055 6.218 ( 12.568 0.929 -10.568) 16.447 6.342 ( -7.017 -8.077 -4.138) 11.472 6.633 ( -4.499 2.173 0.986) 5.092 6.728 ( -4.446 -2.729 -7.050) 8.770 7.396 ( -3.549 -8.102 8.309) 12.136 7.494 ( 3.114 -5.743 -1.049) 6.617 7.859 ( 6.819 1.451 13.630) 15.310 8.039 ( -4.838 0.780 -5.645) 7.476 8.296 ( -7.297 1.752 30.007) 30.931 8.945 ( 6.366 -2.104 -24.458) 25.360 9.161 ( -5.631 -1.063 13.214) 14.403 9.567 ( 4.534 -0.625 -29.234) 29.590 11.847 ( -0.482 -2.762 20.220) 20.413 12.196 ( 0.271 -3.648 -13.771) 14.249 13.231 ( -5.994 -0.329 16.067) 17.151 13.526 ( 6.929 -0.719 -10.073) 12.247 14.711 ( -0.065 -1.280 8.173) 8.272 14.991 ( -7.556 -4.156 -15.780) 17.983 18.625 ( 0.184 1.374 5.590) 5.760 18.753 ( -0.177 3.088 -6.724) 7.402 19.677 ( 3.517 -24.875 26.704) 36.663 20.113 ( -1.416 -12.341 -15.645) 19.977 23.611 ( -1.030 12.000 2.302) 12.262 23.736 ( 0.873 15.410 -9.514) 18.131 ======================= Grid point 444 (223/251) ======================= q-point: (-0.10 0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 17.820 14.347 10.198) 25.048 2.015 ( 10.805 12.618 -9.020) 18.903 2.666 ( -1.351 10.255 17.699) 20.500 2.907 ( 2.639 4.209 -0.540) 4.997 3.163 ( -5.549 5.405 -1.361) 7.865 3.523 ( 7.824 4.424 -10.087) 13.511 3.742 ( -9.820 0.069 -4.668) 10.873 3.892 ( 0.782 -1.072 3.967) 4.184 4.084 ( 1.885 -1.662 2.682) 3.676 4.147 ( 3.739 -1.341 -6.660) 7.755 5.598 ( -18.354 3.135 18.851) 26.497 6.135 ( -15.002 -3.494 -8.806) 17.743 6.367 ( 3.929 0.267 -9.772) 10.536 6.534 ( 15.087 -8.226 8.201) 19.040 6.658 ( 6.452 2.477 7.213) 9.990 6.709 ( 2.872 -1.650 -1.810) 3.775 7.418 ( -3.799 -7.116 6.402) 10.298 7.559 ( -0.666 -3.409 1.038) 3.625 7.914 ( -2.664 -2.396 0.061) 3.584 8.025 ( 5.470 1.657 2.962) 6.437 8.273 ( -1.703 1.994 32.457) 32.562 9.019 ( 3.842 -2.370 -17.290) 17.869 9.105 ( -1.432 1.140 3.674) 4.104 9.603 ( 5.721 -0.303 -24.253) 24.921 11.894 ( -1.637 -1.869 20.087) 20.240 12.198 ( -0.265 -3.412 -14.074) 14.484 13.174 ( -4.981 -0.871 14.300) 15.167 13.642 ( 8.130 -0.102 -12.925) 15.269 14.841 ( 9.650 -3.055 16.076) 18.997 14.945 ( 2.933 -0.584 -7.136) 7.737 18.609 ( -2.246 0.454 4.163) 4.752 18.683 ( -2.644 3.710 -5.220) 6.929 19.908 ( -7.892 -20.226 13.001) 25.306 20.125 ( -7.590 -15.337 -10.753) 20.210 23.482 ( -1.446 11.799 2.102) 12.072 23.572 ( -1.056 14.818 -6.158) 16.081 ======================= Grid point 448 (224/251) ======================= q-point: (-0.70 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.521 ( -1.661 -0.000 2.925) 3.364 2.660 ( 2.467 0.000 -1.931) 3.133 2.898 ( -0.324 -0.000 -1.224) 1.266 3.239 ( 9.092 0.000 12.211) 15.224 3.289 ( -1.841 -0.000 -3.886) 4.300 3.599 ( -3.890 -0.000 5.592) 6.812 3.798 ( -3.314 -0.000 13.819) 14.211 4.142 ( 5.336 0.000 -0.984) 5.426 4.268 ( 7.997 0.000 5.892) 9.933 4.453 ( 0.643 0.000 -13.113) 13.129 4.836 ( 2.096 0.000 8.938) 9.180 5.081 ( 1.311 0.000 -15.801) 15.855 6.404 ( 1.044 0.000 -12.293) 12.337 6.452 ( 3.618 0.000 13.940) 14.401 6.693 ( -1.644 -0.000 -5.525) 5.764 7.041 ( -5.698 -0.000 -0.955) 5.778 7.497 ( -14.320 -0.000 16.200) 21.622 7.742 ( -4.308 -0.000 4.519) 6.243 7.860 ( 1.347 0.000 1.553) 2.056 8.111 ( -0.816 -0.000 0.798) 1.141 8.698 ( -0.650 -0.000 25.082) 25.090 8.961 ( -3.908 -0.000 19.034) 19.431 9.285 ( -0.382 -0.000 -33.792) 33.794 9.567 ( -0.611 -0.000 -24.572) 24.579 11.619 ( -4.987 -0.000 19.545) 20.171 12.137 ( 1.066 0.000 -9.964) 10.020 13.303 ( 0.608 0.000 23.745) 23.753 13.586 ( -2.871 -0.000 -20.909) 21.106 15.872 ( -4.852 -0.000 -0.552) 4.883 15.904 ( -26.965 -0.000 19.216) 33.111 17.923 ( 0.357 0.000 7.148) 7.157 18.121 ( 12.907 0.000 4.815) 13.776 19.249 ( -7.723 -0.000 4.798) 9.092 19.547 ( 9.530 0.000 -18.790) 21.069 23.669 ( 6.528 0.000 5.054) 8.256 23.701 ( 10.420 0.000 -11.294) 15.366 ======================= Grid point 450 (225/251) ======================= q-point: (-0.60 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( 0.273 0.444 8.401) 8.417 2.723 ( 5.522 4.539 -2.327) 7.518 2.892 ( 0.199 -2.522 -1.067) 2.746 3.244 ( -1.976 0.242 -4.592) 5.005 3.364 ( 5.368 6.086 7.053) 10.752 3.565 ( -1.198 0.165 10.807) 10.874 3.761 ( -4.183 -1.799 14.062) 14.781 4.134 ( -2.273 5.508 3.189) 6.758 4.332 ( 0.378 3.858 -6.485) 7.555 4.404 ( -4.496 2.866 -7.623) 9.303 4.963 ( 11.379 -3.164 9.669) 15.263 5.199 ( 8.900 -9.490 -9.506) 16.113 6.375 ( -0.570 1.449 -11.645) 11.748 6.572 ( 4.975 -2.618 4.030) 6.917 6.654 ( -1.913 0.953 -3.443) 4.052 6.950 ( -5.162 -1.781 -1.764) 5.739 7.285 ( -13.264 0.287 19.467) 23.559 7.669 ( -4.601 0.275 6.078) 7.628 7.832 ( -0.740 7.707 2.720) 8.206 8.117 ( -2.747 -6.036 3.730) 7.609 8.680 ( -7.105 1.193 26.449) 27.413 8.920 ( -2.139 3.484 9.367) 10.220 9.194 ( -4.527 -4.790 -24.071) 24.957 9.531 ( 2.129 -1.612 -30.227) 30.345 11.607 ( -1.951 -1.148 19.342) 19.474 12.134 ( 0.834 -0.491 -10.154) 10.200 13.349 ( -1.149 0.444 23.249) 23.282 13.501 ( -2.092 -0.534 -18.576) 18.701 15.445 ( -26.898 1.399 11.015) 29.100 15.670 ( -17.721 -4.052 -11.350) 21.430 18.063 ( 11.092 -0.810 19.007) 22.021 18.369 ( 12.541 -0.249 7.899) 14.823 19.145 ( -5.316 0.881 6.605) 8.524 19.676 ( 9.618 -0.774 -21.148) 23.245 23.784 ( 5.869 1.332 4.169) 7.321 23.853 ( 10.464 1.473 -12.293) 16.211 ======================= Grid point 451 (226/251) ======================= q-point: (-0.50 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.519 ( -0.744 7.170 10.479) 12.719 2.718 ( 3.152 8.717 -0.448) 9.281 2.978 ( 4.882 -3.135 -0.230) 5.806 3.180 ( -3.163 3.393 -4.312) 6.333 3.366 ( 2.152 6.655 4.068) 8.092 3.595 ( 1.801 2.392 14.705) 15.007 3.758 ( -2.483 -4.523 8.751) 10.159 3.998 ( -8.242 5.749 6.898) 12.189 4.226 ( -4.762 9.968 -4.253) 11.838 4.269 ( -0.825 2.580 -16.222) 16.446 5.278 ( 13.882 -8.860 11.874) 20.303 5.473 ( 14.324 -8.860 -5.736) 17.793 6.320 ( -1.494 2.797 -4.830) 5.778 6.559 ( -5.652 0.607 -5.987) 8.256 6.642 ( -3.827 -5.556 -1.109) 6.837 6.865 ( -8.044 -3.261 0.058) 8.680 7.193 ( -0.044 -0.206 15.216) 15.218 7.583 ( -5.677 3.645 4.210) 7.952 7.762 ( 1.059 7.088 7.434) 10.326 8.122 ( -4.497 -6.091 6.522) 9.993 8.576 ( -9.348 1.224 25.418) 27.110 8.872 ( -0.587 2.665 -3.624) 4.537 9.128 ( -5.165 -7.585 -10.435) 13.896 9.526 ( 2.821 -2.272 -32.610) 32.811 11.650 ( 0.201 -1.932 19.200) 19.298 12.132 ( 0.653 -1.377 -10.965) 11.070 13.352 ( -3.491 0.660 21.038) 21.336 13.446 ( -0.537 -0.567 -14.200) 14.222 15.042 ( -19.813 1.186 6.695) 20.947 15.345 ( -19.878 -5.934 -16.370) 26.426 18.356 ( 14.017 -2.992 21.551) 25.882 18.569 ( 8.002 -0.762 7.142) 10.753 19.082 ( -3.447 0.195 12.086) 12.569 19.795 ( 7.753 -2.480 -23.118) 24.509 23.856 ( 3.856 3.708 3.891) 6.615 23.970 ( 8.819 3.938 -12.988) 16.185 ======================= Grid point 452 (227/251) ======================= q-point: (-0.40 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -1.532 16.998 11.328) 20.484 2.679 ( 1.656 12.927 -2.735) 13.317 3.031 ( -0.294 3.533 -1.140) 3.724 3.061 ( -2.996 5.468 -0.075) 6.235 3.404 ( 6.264 2.062 6.673) 9.381 3.600 ( -1.295 7.370 13.790) 15.689 3.792 ( 1.006 -0.282 3.122) 3.292 3.824 ( -6.038 0.352 0.908) 6.116 4.083 ( -2.481 5.231 -2.450) 6.287 4.205 ( -0.532 1.450 -15.818) 15.893 5.618 ( 11.910 -9.281 15.107) 21.359 5.814 ( 17.654 -6.769 -4.820) 19.512 6.230 ( -6.559 3.264 5.178) 8.971 6.403 ( -10.011 0.893 -3.935) 10.793 6.606 ( -3.544 -6.963 -4.970) 9.260 6.756 ( -9.394 -6.764 -0.679) 11.596 7.289 ( 5.883 0.279 5.649) 8.161 7.438 ( -6.340 4.188 3.531) 8.378 7.791 ( 5.499 4.529 12.195) 14.124 8.100 ( -4.702 -3.647 6.181) 8.580 8.448 ( -10.380 1.017 23.246) 25.478 8.857 ( 2.751 -0.243 -13.884) 14.156 9.106 ( -4.442 -7.224 3.201) 9.064 9.525 ( 2.943 -2.545 -33.799) 34.022 11.723 ( 0.970 -2.310 19.147) 19.310 12.133 ( 0.308 -2.305 -12.150) 12.371 13.306 ( -6.148 0.516 19.243) 20.208 13.442 ( 2.974 -0.520 -10.924) 11.333 14.782 ( -10.704 0.325 4.710) 11.699 15.063 ( -13.930 -5.728 -15.740) 21.786 18.605 ( 5.839 0.057 11.750) 13.121 18.717 ( 6.739 -3.461 1.621) 7.748 19.102 ( -0.339 -5.284 27.408) 27.914 19.883 ( 4.062 -5.284 -23.902) 24.814 23.862 ( 1.050 6.287 4.240) 7.656 24.020 ( 5.619 6.938 -13.235) 15.965 ======================= Grid point 453 (228/251) ======================= q-point: (-0.30 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 3.644 21.184 12.672) 24.953 2.495 ( -1.893 20.087 -10.015) 22.525 2.950 ( -2.673 7.387 5.626) 9.662 2.996 ( 0.376 4.418 0.741) 4.495 3.473 ( -5.101 9.842 5.294) 12.284 3.542 ( 9.652 3.788 4.803) 11.427 3.763 ( 0.686 0.928 2.475) 2.731 3.844 ( -0.539 -3.305 -3.205) 4.635 4.027 ( -1.207 0.350 1.372) 1.860 4.156 ( 0.282 1.246 -13.778) 13.837 5.865 ( -4.307 -7.115 20.269) 21.909 6.079 ( 0.532 1.761 8.981) 9.168 6.151 ( 4.466 -11.122 -8.232) 14.540 6.253 ( 2.220 1.964 -6.017) 6.708 6.632 ( -2.282 -3.177 0.217) 3.917 6.662 ( -3.855 -5.303 -2.904) 7.170 7.314 ( -3.921 0.088 7.405) 8.379 7.411 ( 4.098 -2.132 -1.731) 4.933 7.901 ( 6.565 2.811 14.856) 16.483 8.046 ( -4.593 -0.343 -1.285) 4.782 8.324 ( -7.535 1.160 25.960) 27.057 8.905 ( 5.328 -2.140 -20.064) 20.869 9.108 ( -3.855 -4.736 11.827) 13.311 9.534 ( 3.912 -2.807 -32.467) 32.822 11.800 ( 0.498 -2.255 18.979) 19.119 12.131 ( -0.199 -3.271 -13.298) 13.696 13.227 ( -6.816 -0.101 16.374) 17.736 13.515 ( 7.185 -0.525 -8.927) 11.471 14.689 ( -1.634 -1.034 6.515) 6.796 14.917 ( -4.379 -3.763 -11.553) 12.915 18.648 ( -0.708 1.096 7.189) 7.307 18.797 ( 1.784 1.314 -7.448) 7.770 19.297 ( 1.577 -15.933 36.062) 39.457 19.920 ( -1.260 -8.438 -23.359) 24.869 23.797 ( -1.772 8.403 4.601) 9.743 23.975 ( 1.479 10.283 -12.280) 16.085 ======================= Grid point 454 (229/251) ======================= q-point: (-0.20 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 11.087 17.478 9.624) 22.826 2.301 ( 4.188 18.117 -9.340) 20.809 2.855 ( -0.099 9.394 9.062) 13.053 2.983 ( 1.521 3.900 1.270) 4.374 3.299 ( -5.669 9.013 0.080) 10.648 3.644 ( 8.330 8.384 -5.047) 12.851 3.747 ( -5.159 0.989 -1.428) 5.443 3.860 ( 1.877 -2.492 1.517) 3.469 4.040 ( 1.272 -2.147 4.257) 4.934 4.141 ( 1.740 0.228 -10.252) 10.401 5.651 ( -18.947 1.684 16.363) 25.091 6.021 ( -12.614 -8.220 -6.177) 16.274 6.344 ( 9.087 -7.228 3.613) 12.161 6.404 ( 4.648 -1.940 -5.470) 7.436 6.631 ( 6.056 -3.609 2.327) 7.424 6.728 ( 5.291 1.212 4.061) 6.779 7.296 ( -2.167 -4.389 8.113) 9.475 7.502 ( 3.371 -2.875 -2.245) 4.967 7.900 ( -5.947 1.096 -0.724) 6.090 8.052 ( 5.363 1.103 8.169) 9.834 8.304 ( -0.624 1.281 27.137) 27.174 8.968 ( 1.868 -3.114 -11.005) 11.589 9.111 ( 0.628 -0.796 0.914) 1.366 9.575 ( 5.222 -2.796 -26.471) 27.125 11.859 ( -0.633 -1.854 18.741) 18.843 12.128 ( -0.502 -4.013 -13.969) 14.543 13.157 ( -5.435 -0.863 14.883) 15.868 13.641 ( 8.819 -0.003 -11.665) 14.623 14.783 ( 8.043 -3.095 13.873) 16.331 14.930 ( 5.556 -0.941 -5.631) 7.966 18.616 ( -3.660 0.220 5.553) 6.654 18.753 ( -1.907 3.726 -7.013) 8.167 19.523 ( -3.815 -19.683 28.375) 34.743 19.886 ( -6.998 -10.718 -21.488) 25.012 23.676 ( -3.516 9.462 4.008) 10.861 23.839 ( -1.848 12.978 -9.256) 16.047 ======================= Grid point 455 (230/251) ======================= q-point: (-0.10 0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.304 ( 11.567 8.506 -3.407) 14.757 2.359 ( 14.034 7.744 3.994) 16.519 2.841 ( 6.432 9.994 9.374) 15.136 2.982 ( 2.027 3.048 1.940) 4.143 3.113 ( -6.563 8.041 -0.830) 10.412 3.574 ( -7.977 3.490 -7.319) 11.375 3.704 ( 7.177 7.452 -7.053) 12.521 3.902 ( 1.604 1.425 1.603) 2.678 4.112 ( 1.708 -1.067 3.954) 4.437 4.173 ( 3.288 -3.845 -4.879) 7.029 5.338 ( -18.220 2.430 14.112) 23.174 5.836 ( -12.836 -4.027 -10.195) 16.879 6.334 ( -3.643 -1.043 -2.246) 4.405 6.625 ( 5.394 -6.927 7.639) 11.638 6.788 ( 3.904 -3.962 1.038) 5.659 6.858 ( 10.663 0.232 2.522) 10.960 7.364 ( 3.704 -4.486 6.245) 8.535 7.530 ( -1.036 0.539 0.262) 1.197 7.838 ( -0.790 -3.623 -4.765) 6.037 8.135 ( 2.834 1.071 8.786) 9.294 8.371 ( 2.821 2.580 26.563) 26.837 8.955 ( -5.562 -2.990 10.852) 12.556 9.171 ( 8.372 0.760 -23.861) 25.299 9.642 ( 5.449 -2.026 -19.977) 20.805 11.889 ( -2.341 -1.042 18.582) 18.757 12.127 ( -0.355 -4.022 -13.935) 14.509 13.123 ( -3.296 -1.021 15.298) 15.682 13.743 ( 6.442 0.621 -16.624) 17.840 15.047 ( 13.677 -0.539 8.947) 16.353 15.130 ( 17.354 -2.774 15.909) 23.705 18.538 ( -7.280 -1.015 3.005) 7.941 18.641 ( -5.372 4.037 -5.545) 8.713 19.603 ( -10.651 -14.170 10.182) 20.442 19.799 ( -10.619 -13.479 -11.284) 20.537 23.539 ( -2.953 8.647 2.239) 9.408 23.662 ( -2.272 13.062 -4.840) 14.114 ======================= Grid point 460 (231/251) ======================= q-point: (-0.60 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 3.361 0.000 12.012) 12.473 2.857 ( -0.441 -0.000 -0.046) 0.443 2.894 ( 9.524 0.000 -2.298) 9.797 3.199 ( -1.856 -0.000 -5.544) 5.846 3.503 ( 3.919 0.000 4.364) 5.865 3.558 ( -0.713 -0.000 10.251) 10.276 3.698 ( -5.021 -0.000 17.173) 17.891 4.064 ( -8.915 -0.000 8.227) 12.131 4.309 ( -2.873 -0.000 -17.786) 18.017 4.339 ( -3.297 -0.000 -4.614) 5.671 5.175 ( 12.852 0.000 12.321) 17.803 5.371 ( 17.068 0.000 -6.960) 18.432 6.360 ( 0.580 0.000 -10.559) 10.575 6.561 ( -5.133 -0.000 0.696) 5.180 6.583 ( -5.775 -0.000 -5.646) 8.077 6.834 ( -9.751 -0.000 1.506) 9.867 7.193 ( 0.639 0.000 14.635) 14.649 7.620 ( -3.406 -0.000 4.471) 5.621 7.862 ( -0.467 -0.000 5.165) 5.186 8.033 ( -4.416 -0.000 9.732) 10.686 8.590 ( -10.226 -0.000 26.631) 28.527 8.927 ( -1.638 -0.000 9.360) 9.502 9.022 ( -5.448 -0.000 -21.459) 22.140 9.503 ( 3.313 0.000 -35.359) 35.514 11.632 ( 0.452 0.000 18.865) 18.871 12.119 ( 0.459 0.000 -10.606) 10.616 13.359 ( -3.803 -0.000 22.481) 22.800 13.440 ( -0.155 -0.000 -15.344) 15.345 15.053 ( -20.432 -0.000 6.797) 21.533 15.291 ( -19.115 -0.000 -14.031) 23.712 18.328 ( 13.621 0.000 22.668) 26.445 18.562 ( 7.637 0.000 7.652) 10.811 19.085 ( -3.978 -0.000 10.234) 10.980 19.773 ( 7.448 0.000 -24.268) 25.385 23.889 ( 4.247 0.000 4.184) 5.962 24.005 ( 9.110 0.000 -13.300) 16.121 ======================= Grid point 462 (232/251) ======================= q-point: (-0.50 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 3.378 8.091 12.368) 15.160 2.850 ( 3.700 5.570 0.021) 6.687 3.044 ( 4.858 -1.274 -0.997) 5.120 3.140 ( -3.086 2.245 -4.229) 5.696 3.480 ( 1.529 7.262 5.609) 9.303 3.645 ( 0.465 -9.266 2.006) 9.492 3.673 ( -2.613 0.675 18.846) 19.039 3.918 ( -6.605 3.435 10.592) 12.947 4.221 ( -3.967 6.621 -7.374) 10.675 4.230 ( -0.807 1.026 -19.843) 19.886 5.456 ( 11.500 -6.456 14.402) 19.528 5.695 ( 18.058 -4.427 -6.762) 19.784 6.315 ( -3.536 5.949 -0.659) 6.952 6.440 ( -8.232 1.926 -5.052) 9.848 6.471 ( -4.974 -7.227 -2.920) 9.246 6.643 ( -12.599 -4.310 2.480) 13.545 7.312 ( 8.254 1.182 4.782) 9.612 7.527 ( -6.534 3.787 3.816) 8.462 7.879 ( 4.063 4.600 8.586) 10.554 8.016 ( -3.384 -4.843 11.280) 12.734 8.456 ( -11.335 0.042 25.435) 27.847 8.879 ( -0.265 2.812 -10.585) 10.955 8.972 ( -2.589 -6.570 1.521) 7.223 9.486 ( 3.186 -1.284 -37.120) 37.279 11.695 ( 1.515 -0.748 18.335) 18.413 12.104 ( 0.060 -0.807 -11.639) 11.667 13.314 ( -6.475 0.257 19.619) 20.662 13.435 ( 3.028 -0.175 -10.637) 11.061 14.786 ( -11.447 0.162 4.340) 12.243 14.992 ( -12.356 -2.028 -12.299) 17.551 18.595 ( 10.158 -0.719 16.853) 19.691 18.668 ( 3.106 -1.315 6.324) 7.168 19.060 ( -2.639 -0.609 19.296) 19.485 19.822 ( 3.695 -1.555 -26.619) 26.919 23.939 ( 1.292 2.141 4.658) 5.287 24.099 ( 5.886 2.014 -13.420) 14.792 ======================= Grid point 463 (233/251) ======================= q-point: (-0.40 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 3.491 16.191 11.670) 20.262 2.811 ( 0.172 13.336 -7.332) 15.220 3.049 ( -1.584 3.731 0.741) 4.120 3.064 ( -0.986 2.694 0.121) 2.872 3.528 ( 1.491 -3.092 9.563) 10.160 3.599 ( -3.415 1.745 8.297) 9.141 3.771 ( 5.400 -1.830 2.443) 6.203 3.857 ( 0.952 5.246 6.709) 8.569 4.091 ( -1.864 6.303 -4.703) 8.082 4.175 ( 0.258 0.845 -18.861) 18.882 5.689 ( 0.169 -9.598 15.905) 18.577 5.952 ( 1.082 -9.038 -10.609) 13.979 6.174 ( -2.017 6.577 7.221) 9.973 6.301 ( 1.047 3.034 -3.131) 4.484 6.520 ( -8.067 -7.494 1.227) 11.079 6.544 ( 4.388 -7.365 -2.452) 8.917 7.373 ( -6.231 4.755 5.170) 9.389 7.427 ( 5.907 2.917 0.112) 6.589 7.955 ( 5.615 3.017 12.744) 14.249 8.024 ( -2.134 -1.792 3.533) 4.499 8.328 ( -9.224 -0.835 26.252) 27.837 8.872 ( 3.292 -1.362 -15.720) 16.118 9.010 ( -0.992 -5.065 10.503) 11.703 9.480 ( 3.704 -2.595 -37.105) 37.380 11.769 ( 1.267 -1.098 17.794) 17.872 12.084 ( -0.597 -1.792 -12.922) 13.059 13.227 ( -7.466 0.076 16.693) 18.287 13.508 ( 7.388 -0.215 -7.922) 10.835 14.675 ( -2.641 -0.454 5.134) 5.791 14.862 ( -2.177 -2.137 -8.320) 8.862 18.665 ( -1.487 0.815 7.016) 7.218 18.790 ( 4.361 -1.933 -2.116) 5.218 19.110 ( -1.113 -5.184 35.496) 35.890 19.811 ( -0.947 -3.688 -27.588) 27.850 23.913 ( -2.136 4.273 5.502) 7.286 24.107 ( 1.706 4.471 -12.750) 13.619 ======================= Grid point 464 (234/251) ======================= q-point: (-0.30 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 4.151 16.324 7.391) 18.394 2.631 ( -0.470 16.827 -8.010) 18.642 2.984 ( -0.586 4.687 2.945) 5.567 3.044 ( 0.298 2.716 1.727) 3.232 3.434 ( -6.939 4.263 1.603) 8.300 3.715 ( 5.343 -3.360 10.233) 12.023 3.836 ( 1.677 7.126 -0.809) 7.365 3.857 ( 6.552 5.945 -1.120) 8.918 4.036 ( 0.615 2.284 0.956) 2.551 4.146 ( 1.423 0.216 -15.160) 15.228 5.619 ( -17.461 -5.465 13.559) 22.772 5.861 ( -12.366 -8.828 -7.968) 17.156 6.248 ( 8.556 -1.457 6.236) 10.687 6.351 ( -2.067 -4.274 -1.945) 5.130 6.560 ( 8.417 -3.681 0.153) 9.188 6.710 ( 7.320 -3.410 3.087) 8.645 7.272 ( -2.562 1.240 5.670) 6.344 7.493 ( 5.263 2.381 -0.910) 5.848 7.943 ( -5.748 3.135 -1.035) 6.628 8.065 ( 4.514 0.502 11.709) 12.559 8.307 ( -1.189 -1.498 26.226) 26.296 8.916 ( 1.527 -2.122 -6.787) 7.273 9.074 ( 2.932 -3.034 1.427) 4.454 9.509 ( 5.106 -3.956 -32.445) 33.082 11.831 ( 0.264 -1.144 17.257) 17.297 12.063 ( -0.853 -2.960 -13.871) 14.209 13.144 ( -5.957 -0.505 15.496) 16.609 13.642 ( 9.441 0.144 -10.306) 13.978 14.735 ( 6.586 -2.047 11.425) 13.345 14.914 ( 7.903 -0.774 -3.849) 8.825 18.616 ( -5.172 -0.189 5.509) 7.559 18.804 ( -0.788 1.563 -8.462) 8.641 19.241 ( -2.776 -10.917 37.151) 38.821 19.739 ( -5.202 -5.547 -26.794) 27.852 23.816 ( -4.909 5.801 5.943) 9.647 24.023 ( -2.156 7.239 -10.903) 13.264 ======================= Grid point 465 (235/251) ======================= q-point: (-0.20 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 4.515 12.079 -6.594) 14.484 2.523 ( 4.355 9.788 4.827) 11.750 2.965 ( 0.921 3.580 2.313) 4.361 3.038 ( 2.702 3.224 3.957) 5.775 3.263 ( -6.810 7.089 -0.271) 9.834 3.711 ( -2.534 12.177 -5.468) 13.587 3.803 ( 1.075 0.551 -1.015) 1.578 3.958 ( 10.074 6.040 2.183) 11.947 4.068 ( 2.478 -1.316 6.083) 6.699 4.153 ( 2.648 0.240 -11.714) 12.012 5.355 ( -18.289 -1.294 11.958) 21.889 5.715 ( -11.566 -8.823 -8.433) 16.815 6.290 ( -5.195 -4.168 2.065) 6.973 6.477 ( 7.695 -7.194 7.086) 12.696 6.740 ( 5.469 -2.051 -2.382) 6.308 6.843 ( 5.874 -1.785 4.668) 7.713 7.310 ( 5.387 -1.371 6.096) 8.250 7.562 ( 4.277 2.670 -1.672) 5.312 7.814 ( -3.791 1.496 -3.107) 5.125 8.144 ( 1.866 0.122 10.811) 10.971 8.395 ( 3.239 -0.421 24.021) 24.242 8.911 ( -3.928 -1.289 8.337) 9.306 9.172 ( 7.958 -0.847 -18.126) 19.814 9.583 ( 5.669 -4.287 -23.478) 24.530 11.871 ( -1.064 -0.813 16.958) 17.011 12.053 ( -0.296 -3.848 -14.204) 14.719 13.104 ( -3.322 -0.921 16.082) 16.447 13.755 ( 6.804 0.718 -15.985) 17.388 14.996 ( 15.763 -3.941 20.165) 25.896 15.123 ( 16.537 1.059 1.833) 16.672 18.512 ( -9.128 -1.640 3.114) 9.783 18.711 ( -5.158 3.254 -8.876) 10.769 19.342 ( -6.613 -12.656 28.960) 32.289 19.626 ( -7.182 -6.152 -23.508) 25.339 23.677 ( -5.762 6.184 5.136) 9.890 23.869 ( -4.028 9.244 -7.753) 12.720 ======================= Grid point 466 (236/251) ======================= q-point: (-0.10 0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 5.656 3.361 3.689) 7.543 2.575 ( 6.948 2.697 -3.143) 8.089 2.931 ( -2.676 1.323 0.991) 3.146 3.063 ( -3.099 7.064 -3.878) 8.634 3.137 ( 4.813 2.854 9.516) 11.039 3.508 ( -5.446 10.982 -8.441) 14.883 3.821 ( 2.660 2.155 -1.452) 3.718 4.051 ( 8.013 7.030 -1.387) 10.749 4.156 ( 4.066 2.025 1.652) 4.833 4.178 ( 2.429 -3.055 -3.225) 5.063 5.087 ( -15.298 0.781 10.567) 18.609 5.583 ( -8.988 -5.334 -9.290) 13.984 6.254 ( -3.238 -2.869 5.584) 7.063 6.665 ( 3.328 -7.450 8.018) 11.440 6.741 ( -3.897 -0.222 -0.806) 3.986 6.996 ( 6.917 -4.052 -1.060) 8.086 7.474 ( 8.997 -1.671 2.672) 9.533 7.540 ( -0.713 5.010 -0.417) 5.077 7.821 ( 2.797 -2.654 -2.733) 4.726 8.176 ( -0.330 -0.133 9.297) 9.304 8.508 ( 3.549 1.206 24.217) 24.506 8.862 ( -5.017 -1.173 13.846) 14.774 9.270 ( 8.608 0.392 -27.971) 29.268 9.665 ( 4.423 -3.156 -16.363) 17.242 11.876 ( -3.205 0.312 16.981) 17.283 12.063 ( 0.911 -3.914 -13.762) 14.337 13.114 ( -0.809 -0.793 17.540) 17.576 13.793 ( 2.964 0.804 -19.372) 19.614 15.370 ( 19.567 1.105 13.964) 24.065 15.489 ( 21.655 -3.055 20.239) 29.798 18.336 ( -13.697 -2.741 -1.087) 14.010 18.529 ( -10.092 3.380 -9.032) 13.959 19.366 ( -7.519 -9.765 15.985) 20.185 19.518 ( -6.497 -5.946 -15.478) 17.808 23.548 ( -3.818 4.825 2.999) 6.845 23.706 ( -2.943 8.981 -4.229) 10.354 ======================= Grid point 472 (237/251) ======================= q-point: ( 0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 3.496 -0.000 10.327) 10.903 2.935 ( 2.572 0.000 -3.796) 4.585 3.086 ( 0.124 -0.000 -0.288) 0.314 3.087 ( -3.455 0.000 -0.949) 3.583 3.492 ( -5.415 0.000 8.069) 9.718 3.588 ( 0.883 0.000 4.434) 4.521 3.758 ( 6.662 0.000 10.011) 12.025 3.914 ( 1.410 0.000 11.938) 12.021 4.171 ( -2.679 0.000 -8.475) 8.889 4.184 ( 0.278 0.000 -21.247) 21.249 5.588 ( 1.128 0.000 15.321) 15.362 5.863 ( 1.502 0.000 -12.176) 12.269 6.265 ( -6.195 -0.000 5.274) 8.136 6.347 ( 5.040 0.000 0.232) 5.046 6.417 ( -10.338 0.000 1.662) 10.470 6.453 ( 5.638 0.000 -4.426) 7.168 7.427 ( -7.752 0.000 4.448) 8.937 7.463 ( 6.957 0.000 1.206) 7.061 7.988 ( 0.181 -0.000 11.388) 11.390 8.004 ( 5.350 0.000 3.263) 6.267 8.312 ( -11.321 0.000 29.595) 31.686 8.859 ( 1.741 0.000 -13.852) 13.961 8.958 ( 1.134 0.000 9.773) 9.839 9.454 ( 3.683 0.000 -39.491) 39.663 11.759 ( 1.546 0.000 17.306) 17.375 12.068 ( -0.750 0.000 -12.777) 12.799 13.228 ( -7.714 0.000 16.826) 18.510 13.506 ( 7.468 0.000 -7.518) 10.596 14.672 ( -2.977 0.000 4.553) 5.440 14.842 ( -1.418 0.000 -7.104) 7.244 18.675 ( -2.241 0.000 5.470) 5.912 18.762 ( 5.606 0.000 4.939) 7.471 19.071 ( -1.940 0.000 31.121) 31.182 19.779 ( -0.828 0.000 -28.792) 28.804 23.952 ( -2.274 0.000 5.589) 6.034 24.147 ( 1.790 0.000 -12.600) 12.727 ======================= Grid point 474 (238/251) ======================= q-point: (-0.40 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 0.842 9.232 5.588) 10.824 2.861 ( -4.510 7.019 -6.985) 10.880 3.026 ( -3.415 0.127 -0.406) 3.442 3.074 ( -0.519 0.522 1.748) 1.897 3.467 ( -1.041 0.716 4.743) 4.909 3.624 ( 1.004 -4.268 9.068) 10.072 3.913 ( 8.130 1.771 4.390) 9.408 3.987 ( 6.407 4.735 9.504) 12.401 4.117 ( 1.038 4.427 -6.133) 7.635 4.149 ( 1.168 0.148 -19.948) 19.982 5.508 ( -14.759 -4.409 11.765) 19.382 5.725 ( -12.707 -4.852 -12.199) 18.271 6.263 ( -0.290 0.374 6.931) 6.947 6.291 ( -0.733 -0.376 4.225) 4.305 6.505 ( 8.948 -2.263 -3.698) 9.943 6.636 ( 11.911 -3.077 2.640) 12.582 7.310 ( -4.682 1.748 4.269) 6.572 7.552 ( 4.765 2.502 1.566) 5.605 8.000 ( -1.675 2.352 -4.124) 5.035 8.078 ( 3.522 1.125 6.988) 7.906 8.250 ( -4.506 -3.627 36.476) 36.932 8.902 ( 4.993 0.291 -9.490) 10.727 9.018 ( 2.364 -2.446 8.494) 9.150 9.451 ( 5.146 -1.902 -39.354) 39.735 11.818 ( 0.733 -0.344 16.314) 16.334 12.026 ( -1.126 -1.054 -13.802) 13.888 13.139 ( -6.320 -0.142 15.876) 17.089 13.645 ( 9.804 0.098 -9.414) 13.593 14.710 ( 5.705 -0.677 9.762) 11.327 14.904 ( 9.271 -0.287 -2.579) 9.627 18.612 ( -6.125 -0.129 4.564) 7.640 18.811 ( 0.097 -0.297 -6.265) 6.273 19.123 ( -2.646 -2.664 38.442) 38.625 19.677 ( -4.189 -1.564 -28.663) 29.010 23.886 ( -5.676 1.895 6.521) 8.850 24.107 ( -2.148 2.203 -11.047) 11.468 ======================= Grid point 475 (239/251) ======================= q-point: (-0.30 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.688 ( -4.557 7.317 1.203) 8.703 2.711 ( 0.582 10.637 -5.722) 12.092 2.978 ( -3.545 -2.137 -0.846) 4.225 3.081 ( 1.963 1.134 4.979) 5.471 3.391 ( -3.454 8.103 0.583) 8.828 3.726 ( 0.735 -7.275 4.073) 8.370 3.957 ( 3.562 11.616 -0.362) 12.155 4.082 ( 2.255 5.012 1.836) 5.795 4.097 ( 5.916 4.341 4.346) 8.528 4.165 ( 6.666 1.484 -15.421) 16.865 5.286 ( -17.329 -5.330 9.433) 20.437 5.539 ( -12.387 -9.343 -10.662) 18.825 6.207 ( -5.484 -4.119 6.351) 9.348 6.408 ( 6.777 -0.288 7.771) 10.315 6.676 ( 7.094 -4.934 -3.615) 9.367 6.818 ( 5.109 -0.664 3.942) 6.487 7.304 ( 5.130 0.452 3.189) 6.057 7.617 ( 5.654 2.623 0.923) 6.300 7.886 ( -4.431 5.861 -2.024) 7.621 8.141 ( 1.603 -0.722 6.806) 7.030 8.344 ( 0.973 -4.654 31.524) 31.880 8.932 ( 1.066 3.762 3.026) 4.944 9.133 ( 6.979 -3.619 -7.504) 10.868 9.501 ( 6.386 -4.087 -33.072) 33.930 11.860 ( -0.288 -0.402 15.610) 15.618 11.996 ( -0.337 -2.244 -14.333) 14.512 13.091 ( -3.460 -0.504 16.729) 17.091 13.767 ( 7.040 0.530 -15.435) 16.973 14.935 ( 14.895 -2.426 18.645) 23.987 15.143 ( 18.387 0.896 1.359) 18.459 18.485 ( -10.228 -1.168 2.159) 10.519 18.748 ( -5.001 0.817 -10.474) 11.635 19.177 ( -4.884 -5.392 35.320) 36.061 19.554 ( -4.642 -2.209 -25.453) 25.967 23.760 ( -7.678 2.916 6.835) 10.685 23.992 ( -4.758 4.397 -8.917) 11.022 ======================= Grid point 476 (240/251) ======================= q-point: (-0.20 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -1.575 3.282 1.127) 3.811 2.655 ( 2.719 5.956 -4.966) 8.217 2.933 ( -3.098 -1.225 0.331) 3.348 3.144 ( 3.450 -0.627 6.607) 7.480 3.226 ( -4.700 10.591 -1.174) 11.647 3.722 ( -5.319 4.698 -6.956) 9.937 3.868 ( 1.974 8.933 -0.575) 9.166 4.123 ( 2.875 -0.537 6.872) 7.468 4.130 ( 2.015 2.292 -0.721) 3.135 4.266 ( 10.477 6.263 -8.643) 14.956 5.063 ( -15.222 -3.549 8.694) 17.886 5.430 ( -8.616 -10.831 -8.941) 16.477 6.187 ( -2.968 -4.018 9.494) 10.728 6.532 ( 2.471 -4.578 6.209) 8.100 6.760 ( 0.739 -0.250 -4.527) 4.594 6.915 ( 4.840 -3.635 3.293) 6.890 7.454 ( 9.525 -0.359 3.101) 10.023 7.672 ( 2.406 7.252 -0.949) 7.700 7.791 ( 0.215 0.451 -0.965) 1.086 8.170 ( -0.538 -0.702 7.434) 7.487 8.477 ( 1.477 -4.398 29.114) 29.482 8.899 ( -0.657 5.535 7.802) 9.589 9.261 ( 8.025 -1.721 -20.759) 22.322 9.589 ( 5.515 -4.862 -22.463) 23.635 11.880 ( -1.715 0.105 15.510) 15.605 11.997 ( 1.415 -3.044 -14.406) 14.792 13.101 ( -0.532 -0.625 18.128) 18.146 13.806 ( 2.760 0.660 -19.552) 19.757 15.318 ( 18.814 -4.302 24.455) 31.154 15.512 ( 24.889 3.204 5.672) 25.727 18.291 ( -13.571 -2.083 -1.849) 13.854 18.576 ( -10.710 1.609 -12.340) 16.418 19.203 ( -6.425 -6.810 28.114) 29.632 19.462 ( -1.868 -1.392 -20.080) 20.215 23.615 ( -7.250 2.506 5.931) 9.697 23.840 ( -5.092 5.563 -6.454) 9.925 ======================= Grid point 477 (241/251) ======================= q-point: (-0.10 0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 2.186 -2.133 3.324) 4.514 2.659 ( 1.991 1.246 -3.521) 4.232 2.887 ( -3.605 1.959 2.328) 4.717 3.050 ( -3.741 5.805 2.057) 7.206 3.246 ( 5.045 -0.040 2.072) 5.454 3.490 ( -7.370 11.624 -9.282) 16.601 3.863 ( 0.447 0.218 0.857) 0.991 4.137 ( 0.937 1.336 -1.974) 2.561 4.186 ( 0.964 -1.898 5.799) 6.178 4.355 ( 8.534 6.969 -6.983) 13.044 4.876 ( -10.181 -1.619 7.474) 12.734 5.386 ( -4.680 -8.004 -7.464) 11.903 6.220 ( 0.692 -2.753 11.332) 11.682 6.563 ( -5.275 -5.405 0.397) 7.563 6.776 ( 3.419 2.573 1.924) 4.691 7.034 ( 3.495 -5.083 -1.381) 6.321 7.571 ( -2.127 4.790 3.845) 6.500 7.617 ( 6.567 2.829 -4.472) 8.433 7.833 ( -0.354 -2.234 4.956) 5.447 8.187 ( 0.976 -0.800 4.497) 4.671 8.585 ( -0.504 -2.821 29.119) 29.259 8.865 ( 0.803 5.154 7.871) 9.443 9.344 ( 6.813 -0.192 -29.116) 29.903 9.664 ( 2.848 -3.712 -14.311) 15.057 11.858 ( -3.907 1.632 15.845) 16.401 12.037 ( 3.346 -2.994 -13.632) 14.352 13.155 ( 1.394 -0.277 19.222) 19.275 13.777 ( -0.261 0.441 -20.593) 20.599 15.706 ( 12.773 -5.415 24.736) 28.361 15.934 ( 25.549 6.718 9.234) 27.984 18.076 ( -10.779 -1.482 -4.299) 11.699 18.303 ( -15.603 1.255 -12.022) 19.737 19.204 ( -6.736 -7.160 20.104) 22.379 19.434 ( 2.750 0.390 -15.639) 15.883 23.509 ( -4.081 0.345 3.727) 5.537 23.707 ( -3.044 4.703 -4.266) 7.042 ======================= Grid point 484 (242/251) ======================= q-point: ( 0.60 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( -8.010 -0.000 -2.507) 8.393 2.855 ( 0.581 0.000 0.800) 0.989 2.910 ( -6.529 -0.000 -6.378) 9.127 3.088 ( 0.968 0.000 4.927) 5.021 3.532 ( 2.694 0.000 0.698) 2.783 3.595 ( -2.084 -0.000 7.172) 7.468 4.051 ( 4.679 0.000 4.998) 6.846 4.124 ( 0.704 0.000 -10.940) 10.962 4.162 ( 8.728 0.000 1.364) 8.834 4.198 ( 5.763 0.000 -3.431) 6.707 5.223 ( -16.913 -0.000 7.726) 18.594 5.438 ( -13.335 -0.000 -13.394) 18.900 6.166 ( -5.358 -0.000 8.221) 9.813 6.423 ( 6.091 0.000 9.546) 11.324 6.613 ( 6.560 0.000 -4.122) 7.747 6.813 ( 6.678 0.000 2.561) 7.152 7.312 ( 4.537 0.000 2.220) 5.052 7.641 ( 3.985 0.000 2.282) 4.592 7.969 ( -2.404 -0.000 -4.053) 4.713 8.120 ( 0.896 0.000 -0.158) 0.910 8.285 ( -0.293 -0.000 42.662) 42.663 9.010 ( 8.267 0.000 -12.113) 14.665 9.061 ( 1.887 0.000 12.314) 12.458 9.459 ( 6.879 0.000 -40.133) 40.719 11.857 ( -0.049 -0.000 15.163) 15.163 11.975 ( -0.382 -0.000 -14.422) 14.427 13.087 ( -3.538 -0.000 16.976) 17.341 13.772 ( 7.119 0.000 -15.215) 16.798 14.912 ( 14.472 0.000 17.707) 22.869 15.151 ( 19.172 0.000 1.621) 19.240 18.474 ( -10.551 -0.000 1.669) 10.682 18.752 ( -4.964 -0.000 -9.848) 11.028 19.132 ( -4.328 -0.000 35.867) 36.127 19.535 ( -3.858 -0.000 -25.560) 25.850 23.786 ( -8.367 -0.000 7.316) 11.114 24.032 ( -4.931 -0.000 -9.128) 10.375 ======================= Grid point 486 (243/251) ======================= q-point: (-0.30 0.60 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( -5.717 1.139 -0.970) 5.910 2.764 ( -2.593 5.109 -6.147) 8.403 2.889 ( -0.958 -3.121 -0.757) 3.351 3.130 ( 2.127 -0.548 6.055) 6.441 3.442 ( -2.834 12.259 0.221) 12.585 3.644 ( -2.455 -8.824 1.403) 9.266 4.088 ( 1.332 6.280 -10.943) 12.687 4.126 ( 2.707 0.285 4.003) 4.840 4.200 ( 0.466 8.152 1.907) 8.385 4.329 ( 7.553 -0.837 0.014) 7.599 4.982 ( -14.528 -3.750 6.315) 16.279 5.245 ( -8.725 -7.063 -13.272) 17.383 6.128 ( -2.597 -1.934 12.026) 12.454 6.512 ( 2.568 1.183 7.950) 8.437 6.704 ( 2.584 -3.869 -6.409) 7.920 6.896 ( 4.403 0.391 3.352) 5.548 7.456 ( 9.862 0.274 1.986) 10.063 7.711 ( 3.436 -0.558 1.841) 3.937 7.894 ( -1.716 7.095 -1.741) 7.505 8.139 ( -0.406 -2.673 1.176) 2.948 8.389 ( -0.180 -3.544 39.469) 39.629 9.042 ( 3.750 9.155 1.504) 10.007 9.192 ( 6.276 -6.270 -6.083) 10.757 9.512 ( 7.023 -2.676 -35.456) 36.243 11.881 ( -0.997 0.026 14.626) 14.660 11.958 ( 1.681 -1.142 -14.707) 14.847 13.093 ( -0.380 -0.229 18.574) 18.579 13.815 ( 2.551 0.269 -19.733) 19.900 15.260 ( 18.240 -1.703 23.122) 29.500 15.557 ( 27.076 1.401 4.873) 27.547 18.264 ( -13.302 -0.754 -2.283) 13.517 18.590 ( -10.934 0.160 -13.219) 17.156 19.128 ( -5.394 -1.785 30.319) 30.847 19.449 ( -0.406 -0.250 -19.257) 19.263 23.642 ( -9.242 0.664 7.527) 11.938 23.907 ( -6.081 1.812 -7.392) 9.742 ======================= Grid point 487 (244/251) ======================= q-point: (-0.20 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 452 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -1.282 -1.169 -0.191) 1.746 2.693 ( -0.549 2.014 -4.299) 4.779 2.894 ( -0.625 -0.484 0.547) 0.962 3.161 ( -2.367 3.460 7.755) 8.816 3.295 ( 0.970 7.638 -2.344) 8.048 3.617 ( -7.055 -1.368 -2.828) 7.723 3.950 ( -3.387 11.568 -4.443) 12.846 4.154 ( -0.271 0.729 -2.209) 2.342 4.177 ( 1.542 0.552 6.527) 6.729 4.427 ( 2.932 -0.235 -4.116) 5.059 4.819 ( -9.127 -3.757 6.888) 12.036 5.201 ( -3.283 -10.415 -10.081) 14.862 6.163 ( 0.593 -3.192 13.641) 14.022 6.521 ( -1.641 1.269 4.221) 4.704 6.768 ( 3.475 -4.109 -8.299) 9.891 6.987 ( 4.763 0.348 4.278) 6.412 7.604 ( 5.199 1.048 4.716) 7.097 7.736 ( -1.657 3.340 0.303) 3.741 7.812 ( 0.650 3.764 1.327) 4.044 8.160 ( 0.113 -2.604 2.378) 3.528 8.507 ( -0.264 -4.694 34.817) 35.133 9.013 ( 2.948 10.293 2.163) 10.923 9.317 ( 5.795 -3.290 -17.647) 18.863 9.583 ( 4.556 -4.479 -24.596) 25.412 11.880 ( -2.515 0.771 14.880) 15.111 11.992 ( 4.233 -1.825 -14.626) 15.335 13.152 ( 1.917 -0.105 19.636) 19.729 13.782 ( -0.582 0.175 -21.269) 21.278 15.611 ( 11.378 -4.006 23.500) 26.415 16.056 ( 31.515 5.384 5.688) 32.474 18.055 ( -9.497 -0.847 -3.854) 10.284 18.316 ( -16.566 0.270 -14.303) 21.888 19.113 ( -5.492 -2.996 23.405) 24.227 19.443 ( 3.954 0.488 -13.538) 14.112 23.505 ( -7.724 -0.555 6.675) 10.224 23.771 ( -5.309 2.321 -5.980) 8.327 ======================= Grid point 488 (245/251) ======================= q-point: (-0.10 -0.40 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( -0.094 -3.217 1.368) 3.497 2.692 ( 2.359 0.227 -0.984) 2.566 2.847 ( -4.787 3.233 3.742) 6.882 3.062 ( -0.796 4.146 3.536) 5.507 3.307 ( -1.718 2.677 0.018) 3.181 3.433 ( -4.630 5.353 -8.815) 11.305 3.828 ( -4.538 -0.097 1.435) 4.760 4.141 ( -1.823 -0.099 0.223) 1.840 4.174 ( -3.047 -0.131 3.420) 4.583 4.404 ( -4.303 -2.297 -4.501) 6.637 4.809 ( 3.878 -1.158 5.202) 6.591 5.255 ( 0.914 -8.951 -6.347) 11.011 6.255 ( 2.068 -4.593 11.201) 12.281 6.478 ( -0.892 2.431 2.744) 3.773 6.857 ( 4.841 -1.232 -6.249) 8.000 7.055 ( 2.260 0.060 2.892) 3.671 7.529 ( -9.067 4.103 6.186) 11.718 7.734 ( 3.579 3.970 -2.409) 5.863 7.790 ( -3.881 0.067 10.396) 11.097 8.212 ( 2.539 -2.681 -0.189) 3.697 8.603 ( -1.215 -3.048 30.150) 30.328 8.972 ( 1.890 8.565 0.677) 8.797 9.376 ( 4.633 -0.894 -26.612) 27.027 9.632 ( 1.266 -4.118 -14.599) 15.221 11.842 ( -3.922 2.420 15.811) 16.469 12.065 ( 5.649 -1.573 -13.826) 15.018 13.232 ( 2.139 0.390 19.822) 19.941 13.710 ( -2.278 -0.056 -20.766) 20.890 15.765 ( -5.299 -6.068 18.943) 20.584 16.500 ( 25.594 13.443 -2.405) 29.009 17.986 ( 1.606 -0.291 -1.297) 2.084 17.998 ( -14.173 -1.001 -5.811) 15.350 19.097 ( -4.684 -3.582 16.742) 17.750 19.513 ( 8.044 1.602 -10.592) 13.396 23.433 ( -3.874 -3.775 4.504) 7.038 23.670 ( -2.874 0.900 -4.976) 5.816 ======================= Grid point 496 (246/251) ======================= q-point: (-0.30 -0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -2.426 -0.000 -1.230) 2.720 2.714 ( -2.219 -0.000 -5.283) 5.730 2.887 ( 0.507 0.000 0.213) 0.549 3.181 ( 2.328 0.000 6.791) 7.179 3.453 ( -5.817 -0.000 -8.821) 10.567 3.520 ( -4.160 -0.000 8.631) 9.581 4.106 ( 0.987 0.000 -10.368) 10.415 4.158 ( -3.819 -0.000 0.177) 3.823 4.230 ( -1.805 -0.000 9.185) 9.361 4.356 ( -2.509 -0.000 -4.124) 4.827 4.782 ( -6.894 -0.000 10.031) 12.172 5.090 ( -1.510 -0.000 -15.693) 15.765 6.130 ( 0.198 0.000 14.312) 14.313 6.559 ( 0.331 0.000 7.681) 7.688 6.700 ( 2.377 0.000 -10.590) 10.853 7.000 ( 5.955 0.000 2.835) 6.595 7.618 ( 7.153 0.000 4.250) 8.320 7.730 ( -2.833 -0.000 5.174) 5.899 7.909 ( 0.288 0.000 -2.102) 2.121 8.113 ( -0.624 -0.000 -0.519) 0.811 8.457 ( 0.018 0.000 39.613) 39.613 9.187 ( 4.875 0.000 -20.076) 20.659 9.217 ( 3.563 0.000 14.116) 14.558 9.536 ( 5.982 0.000 -36.158) 36.649 11.887 ( -2.016 -0.000 14.542) 14.681 11.974 ( 4.532 0.000 -14.975) 15.645 13.151 ( 2.144 0.000 19.876) 19.992 13.784 ( -0.752 -0.000 -21.611) 21.624 15.574 ( 11.172 0.000 22.389) 25.021 16.107 ( 33.607 0.000 5.201) 34.007 18.047 ( -9.104 -0.000 -3.661) 9.813 18.318 ( -16.737 -0.000 -14.998) 22.474 19.087 ( -5.166 -0.000 24.081) 24.629 19.448 ( 4.264 0.000 -12.610) 13.312 23.499 ( -9.147 -0.000 7.840) 12.047 23.792 ( -6.097 -0.000 -6.573) 8.965 ======================= Grid point 497 (247/251) ======================= q-point: (-0.20 -0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 0.628 -1.171 -0.573) 1.447 2.697 ( 1.552 0.224 -2.059) 2.589 2.877 ( -2.176 0.489 1.402) 2.635 3.184 ( -2.567 7.337 5.736) 9.660 3.326 ( -1.539 -1.111 -6.611) 6.878 3.455 ( -9.364 -1.807 5.596) 11.057 3.936 ( -8.423 10.409 -3.921) 13.952 4.107 ( -5.263 -4.326 -5.126) 8.525 4.193 ( -4.409 2.053 1.208) 5.011 4.304 ( -3.938 -7.095 2.052) 8.370 4.795 ( 4.219 -0.133 12.461) 13.156 5.109 ( 3.960 -5.269 -13.853) 15.342 6.183 ( 0.824 -2.358 12.170) 12.424 6.560 ( 1.716 5.036 6.354) 8.287 6.768 ( 4.800 -5.717 -11.072) 13.354 7.092 ( 4.441 1.855 2.768) 5.552 7.596 ( -11.036 2.670 8.912) 14.434 7.721 ( 0.798 -2.040 8.094) 8.386 7.903 ( 2.695 7.893 -0.571) 8.360 8.133 ( 0.571 -5.435 -0.992) 5.554 8.549 ( -0.205 -1.997 33.443) 33.503 9.146 ( 1.910 9.009 -11.294) 14.573 9.332 ( 2.938 -4.200 -2.023) 5.510 9.559 ( 3.482 -2.814 -30.014) 30.346 11.872 ( -3.004 0.832 15.351) 15.664 12.044 ( 6.637 -0.626 -14.825) 16.255 13.239 ( 2.524 0.231 20.298) 20.455 13.707 ( -2.418 -0.119 -21.761) 21.895 15.689 ( -4.740 -2.192 16.946) 17.733 16.682 ( 32.024 5.578 -5.883) 33.034 17.980 ( 2.313 -0.261 -0.242) 2.340 17.983 ( -16.358 -0.457 -7.553) 18.023 19.057 ( -4.042 -1.008 18.397) 18.863 19.535 ( 8.437 0.638 -7.944) 11.606 23.377 ( -7.193 -1.823 7.324) 10.426 23.679 ( -4.820 0.188 -6.304) 7.938 ======================= Grid point 498 (248/251) ======================= q-point: (-0.10 -0.30 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.549 ( -2.261 -0.600 2.341) 3.310 2.726 ( -1.856 2.646 1.561) 3.589 2.807 ( -1.391 0.258 3.088) 3.397 3.101 ( 0.999 2.874 -2.008) 3.646 3.198 ( -13.679 4.603 4.825) 15.218 3.374 ( -1.832 -6.514 -6.224) 9.194 3.729 ( -9.416 1.577 -2.345) 9.831 3.962 ( -10.803 -4.890 1.618) 11.968 4.158 ( 0.081 0.535 -2.040) 2.111 4.318 ( -1.051 -2.216 2.654) 3.614 4.950 ( 10.021 -0.639 9.732) 13.984 5.243 ( 7.762 -6.399 -8.720) 13.313 6.226 ( -1.927 -3.549 7.201) 8.256 6.599 ( 7.161 5.303 7.448) 11.613 6.889 ( 4.997 -5.359 -10.301) 12.641 7.117 ( 0.360 4.474 2.968) 5.381 7.374 ( -13.207 1.830 12.475) 18.259 7.725 ( -3.865 -0.142 11.441) 12.077 7.846 ( 0.367 9.758 -1.307) 9.852 8.206 ( 1.018 -6.070 -0.922) 6.223 8.611 ( -2.804 -2.019 27.740) 27.954 9.056 ( -0.276 8.107 -10.965) 13.640 9.378 ( 1.783 -1.217 -12.813) 12.993 9.576 ( 1.151 -3.837 -20.007) 20.404 11.838 ( -3.231 2.346 16.943) 17.407 12.135 ( 6.579 -0.201 -14.200) 15.651 13.308 ( 0.681 0.641 19.923) 19.945 13.616 ( -2.850 -0.317 -20.121) 20.324 15.542 ( -17.193 -3.459 11.051) 20.729 16.832 ( -4.544 12.697 -36.338) 38.760 17.942 ( 14.024 1.774 17.090) 22.179 18.119 ( 11.657 -1.369 3.905) 12.369 19.053 ( -1.477 -1.085 15.525) 15.632 19.686 ( 11.795 2.099 -5.727) 13.279 23.332 ( -3.436 -6.320 5.472) 9.038 23.606 ( -2.540 -1.704 -6.223) 6.934 ======================= Grid point 507 (249/251) ======================= q-point: (-0.20 -0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 251 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.543 ( -0.543 -0.000 1.129) 1.252 2.748 ( 3.761 0.000 0.244) 3.768 2.816 ( -6.526 -0.000 3.686) 7.495 3.182 ( -3.855 -0.000 -14.921) 15.411 3.225 ( -6.444 -0.000 0.194) 6.447 3.275 ( -11.036 -0.000 18.477) 21.522 3.773 ( -19.331 -0.000 -12.737) 23.150 3.893 ( -3.009 -0.000 1.473) 3.350 4.163 ( 0.298 0.000 -1.810) 1.834 4.293 ( 0.403 0.000 6.812) 6.824 4.946 ( 8.811 0.000 17.871) 19.925 5.174 ( 9.924 0.000 -16.774) 19.489 6.194 ( -1.095 -0.000 9.039) 9.105 6.676 ( 5.929 0.000 9.871) 11.515 6.806 ( 6.039 0.000 -12.994) 14.329 7.161 ( 1.530 0.000 0.775) 1.715 7.395 ( -14.836 -0.000 13.789) 20.254 7.724 ( -2.140 -0.000 10.503) 10.719 8.011 ( 3.161 0.000 0.639) 3.225 8.078 ( -1.974 -0.000 -1.749) 2.637 8.590 ( -2.370 -0.000 28.753) 28.850 9.155 ( -0.515 -0.000 -26.456) 26.461 9.354 ( -0.502 -0.000 15.807) 15.815 9.533 ( 3.406 0.000 -34.284) 34.453 11.859 ( -2.926 -0.000 16.782) 17.036 12.133 ( 7.239 0.000 -14.744) 16.426 13.315 ( 0.629 0.000 20.512) 20.521 13.613 ( -2.754 -0.000 -21.071) 21.250 15.510 ( -16.505 -0.000 10.381) 19.498 16.952 ( -6.099 -0.000 -42.425) 42.861 17.966 ( 19.918 0.000 18.637) 27.278 18.100 ( 9.867 0.000 3.564) 10.491 19.045 ( -0.517 -0.000 16.504) 16.512 19.706 ( 12.099 0.000 -3.158) 12.504 23.270 ( -5.642 -0.000 7.575) 9.445 23.589 ( -3.689 -0.000 -7.096) 7.998 ======================= Grid point 508 (250/251) ======================= q-point: (-0.10 -0.20 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 450 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -12.373 1.644 3.135) 12.869 2.623 ( -14.955 2.791 3.072) 15.520 2.802 ( 0.017 -2.587 0.738) 2.690 2.965 ( -14.633 -0.867 8.403) 16.896 3.158 ( 5.694 -0.060 -12.951) 14.148 3.269 ( -2.195 -3.823 3.552) 5.661 3.465 ( -12.522 -2.971 -2.068) 13.035 3.893 ( 1.632 0.022 0.116) 1.636 4.165 ( 0.366 0.753 -2.204) 2.357 4.300 ( -1.589 -0.274 3.895) 4.215 5.171 ( 12.435 -0.405 18.074) 21.942 5.366 ( 13.972 -2.965 -13.264) 19.492 6.184 ( -2.532 -0.697 8.589) 8.982 6.778 ( 4.612 3.612 5.051) 7.735 6.899 ( 3.575 -4.445 -9.935) 11.456 7.123 ( -4.835 4.657 2.067) 7.024 7.212 ( -7.296 -1.454 15.420) 17.121 7.695 ( -2.855 1.504 10.143) 10.644 7.929 ( -2.172 11.366 -0.321) 11.576 8.130 ( -1.106 -9.200 -0.169) 9.268 8.579 ( -6.266 -0.766 25.392) 26.165 9.056 ( -1.422 3.998 -23.225) 23.610 9.356 ( -2.954 -0.932 9.241) 9.746 9.530 ( 3.260 -1.905 -30.763) 30.994 11.846 ( -2.269 1.379 18.607) 18.796 12.215 ( 5.711 0.460 -14.346) 15.448 13.344 ( -2.152 0.253 20.272) 20.388 13.529 ( -1.901 -0.138 -18.551) 18.648 15.218 ( -18.683 -1.174 6.906) 19.953 16.496 ( -26.226 4.657 -44.241) 51.640 18.285 ( 10.456 0.754 4.895) 11.570 18.459 ( 24.120 1.787 3.536) 24.444 19.163 ( 12.946 2.756 22.054) 25.721 19.923 ( 13.736 1.836 -0.088) 13.858 23.233 ( -2.864 -5.669 6.722) 9.248 23.531 ( -2.093 -2.242 -7.757) 8.342 ======================= Grid point 518 (251/251) ======================= q-point: (-0.10 -0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 0.00e+00 0.00e+00 2.86e-04 2.86e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -26.075 -0.000 3.334) 26.287 2.272 ( -23.663 -0.000 -2.292) 23.774 2.760 ( -11.055 -0.000 16.947) 20.234 2.784 ( -0.411 -0.000 -1.161) 1.231 3.206 ( 4.429 0.000 -21.003) 21.465 3.244 ( -1.523 -0.000 7.770) 7.918 3.425 ( 8.130 0.000 4.893) 9.489 3.936 ( 2.860 0.000 -1.068) 3.053 4.166 ( -0.243 -0.000 -3.002) 3.012 4.254 ( -4.581 -0.000 1.938) 4.974 5.445 ( 13.923 0.000 23.337) 27.175 5.605 ( 18.095 0.000 -14.305) 23.067 6.159 ( -2.880 -0.000 11.801) 12.147 6.751 ( -9.212 -0.000 6.870) 11.492 6.881 ( -1.911 -0.000 -10.261) 10.437 7.045 ( -6.723 -0.000 -4.075) 7.862 7.251 ( 8.217 0.000 15.149) 17.234 7.690 ( -1.304 -0.000 6.465) 6.595 7.925 ( -5.403 -0.000 1.930) 5.737 8.060 ( -0.513 -0.000 0.387) 0.643 8.490 ( -9.929 -0.000 25.461) 27.328 9.002 ( -0.015 -0.000 -26.222) 26.222 9.300 ( -5.871 -0.000 15.149) 16.247 9.519 ( 4.259 0.000 -33.010) 33.283 11.863 ( -1.480 -0.000 20.152) 20.206 12.269 ( 3.701 0.000 -14.312) 14.783 13.330 ( -4.312 -0.000 19.991) 20.451 13.476 ( 0.359 0.000 -15.422) 15.426 14.937 ( -14.126 -0.000 5.222) 15.061 15.944 ( -27.502 -0.000 -39.899) 48.459 18.443 ( 6.939 0.000 3.189) 7.637 18.687 ( 4.842 0.000 -6.318) 7.960 19.664 ( 31.332 0.000 15.948) 35.157 20.165 ( 11.733 0.000 4.579) 12.595 23.178 ( -1.767 -0.000 7.742) 7.941 23.469 ( -1.539 -0.000 -9.020) 9.151 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/32400 10.0 233.098 553.071 188.768 -0.000 -68.867 0.000 3/32400 20.0 109.732 131.598 115.987 -0.000 -28.946 0.000 3/32400 30.0 52.373 57.891 67.799 -0.000 -13.967 0.000 3/32400 40.0 32.358 34.814 43.410 -0.000 -8.072 0.000 3/32400 50.0 22.474 23.832 30.711 -0.000 -5.407 0.000 3/32400 60.0 16.861 17.655 23.402 -0.000 -3.992 0.000 3/32400 70.0 13.374 13.836 18.866 -0.000 -3.149 0.000 3/32400 80.0 11.051 11.304 15.879 -0.000 -2.604 0.000 3/32400 90.0 9.412 9.530 13.810 -0.000 -2.228 0.000 3/32400 100.0 8.202 8.231 12.312 -0.000 -1.955 0.000 3/32400 110.0 7.277 7.246 11.185 -0.000 -1.747 0.000 3/32400 120.0 6.549 6.477 10.306 -0.000 -1.583 0.000 3/32400 130.0 5.961 5.863 9.598 -0.000 -1.448 0.000 3/32400 140.0 5.478 5.362 9.012 -0.000 -1.336 0.000 3/32400 150.0 5.075 4.946 8.516 -0.000 -1.239 0.000 3/32400 160.0 4.732 4.597 8.087 -0.000 -1.156 0.000 3/32400 170.0 4.438 4.300 7.709 -0.000 -1.082 0.000 3/32400 180.0 4.182 4.045 7.373 -0.000 -1.016 0.000 3/32400 190.0 3.958 3.823 7.071 -0.000 -0.957 0.000 3/32400 200.0 3.760 3.628 6.795 -0.000 -0.904 0.000 3/32400 210.0 3.583 3.456 6.543 -0.000 -0.856 0.000 3/32400 220.0 3.425 3.303 6.311 -0.000 -0.813 0.000 3/32400 230.0 3.281 3.166 6.096 -0.000 -0.773 0.000 3/32400 240.0 3.151 3.042 5.896 -0.000 -0.737 0.000 3/32400 250.0 3.032 2.929 5.709 -0.000 -0.703 0.000 3/32400 260.0 2.922 2.827 5.534 -0.000 -0.673 0.000 3/32400 270.0 2.821 2.732 5.370 -0.000 -0.644 0.000 3/32400 280.0 2.728 2.645 5.215 -0.000 -0.618 0.000 3/32400 290.0 2.641 2.565 5.069 -0.000 -0.594 0.000 3/32400 300.0 2.560 2.490 4.930 -0.000 -0.572 0.000 3/32400 310.0 2.485 2.420 4.799 -0.000 -0.551 0.000 3/32400 320.0 2.414 2.355 4.675 -0.000 -0.531 0.000 3/32400 330.0 2.347 2.293 4.557 -0.000 -0.513 0.000 3/32400 340.0 2.284 2.236 4.444 -0.000 -0.496 0.000 3/32400 350.0 2.225 2.181 4.337 -0.000 -0.480 0.000 3/32400 360.0 2.168 2.129 4.234 -0.000 -0.465 0.000 3/32400 370.0 2.115 2.080 4.137 -0.000 -0.451 0.000 3/32400 380.0 2.064 2.034 4.043 -0.000 -0.437 0.000 3/32400 390.0 2.016 1.989 3.954 -0.000 -0.425 0.000 3/32400 400.0 1.970 1.947 3.868 -0.000 -0.413 0.000 3/32400 410.0 1.927 1.906 3.786 -0.000 -0.402 0.000 3/32400 420.0 1.885 1.867 3.707 -0.000 -0.391 0.000 3/32400 430.0 1.845 1.830 3.631 -0.000 -0.381 0.000 3/32400 440.0 1.806 1.795 3.558 -0.000 -0.371 0.000 3/32400 450.0 1.770 1.760 3.488 -0.000 -0.362 0.000 3/32400 460.0 1.734 1.727 3.421 -0.000 -0.354 0.000 3/32400 470.0 1.701 1.696 3.356 -0.000 -0.345 0.000 3/32400 480.0 1.668 1.665 3.293 -0.000 -0.337 0.000 3/32400 490.0 1.637 1.636 3.233 -0.000 -0.330 0.000 3/32400 500.0 1.606 1.608 3.174 -0.000 -0.323 0.000 3/32400 510.0 1.577 1.580 3.118 -0.000 -0.316 0.000 3/32400 520.0 1.549 1.554 3.064 -0.000 -0.309 0.000 3/32400 530.0 1.522 1.528 3.011 -0.000 -0.303 0.000 3/32400 540.0 1.496 1.503 2.960 -0.000 -0.297 0.000 3/32400 550.0 1.471 1.479 2.911 -0.000 -0.291 0.000 3/32400 560.0 1.446 1.456 2.863 -0.000 -0.285 0.000 3/32400 570.0 1.423 1.433 2.817 -0.000 -0.280 0.000 3/32400 580.0 1.400 1.412 2.772 -0.000 -0.275 0.000 3/32400 590.0 1.378 1.390 2.729 -0.000 -0.270 0.000 3/32400 600.0 1.356 1.370 2.687 -0.000 -0.265 0.000 3/32400 610.0 1.336 1.350 2.646 -0.000 -0.260 0.000 3/32400 620.0 1.315 1.330 2.607 -0.000 -0.256 0.000 3/32400 630.0 1.296 1.312 2.568 -0.000 -0.251 0.000 3/32400 640.0 1.277 1.293 2.531 -0.000 -0.247 0.000 3/32400 650.0 1.258 1.275 2.494 -0.000 -0.243 0.000 3/32400 660.0 1.240 1.258 2.459 -0.000 -0.239 0.000 3/32400 670.0 1.223 1.241 2.424 -0.000 -0.236 0.000 3/32400 680.0 1.206 1.225 2.391 -0.000 -0.232 0.000 3/32400 690.0 1.189 1.208 2.358 -0.000 -0.228 0.000 3/32400 700.0 1.173 1.193 2.327 -0.000 -0.225 0.000 3/32400 710.0 1.158 1.178 2.296 -0.000 -0.222 0.000 3/32400 720.0 1.142 1.163 2.266 -0.000 -0.218 0.000 3/32400 730.0 1.128 1.148 2.236 -0.000 -0.215 0.000 3/32400 740.0 1.113 1.134 2.208 -0.000 -0.212 0.000 3/32400 750.0 1.099 1.120 2.180 -0.000 -0.209 0.000 3/32400 760.0 1.085 1.107 2.153 -0.000 -0.206 0.000 3/32400 770.0 1.072 1.093 2.126 -0.000 -0.203 0.000 3/32400 780.0 1.059 1.081 2.100 -0.000 -0.201 0.000 3/32400 790.0 1.046 1.068 2.075 -0.000 -0.198 0.000 3/32400 800.0 1.034 1.056 2.050 -0.000 -0.195 0.000 3/32400 810.0 1.021 1.044 2.026 -0.000 -0.193 0.000 3/32400 820.0 1.009 1.032 2.002 -0.000 -0.190 0.000 3/32400 830.0 0.998 1.020 1.979 -0.000 -0.188 0.000 3/32400 840.0 0.986 1.009 1.957 -0.000 -0.186 0.000 3/32400 850.0 0.975 0.998 1.935 -0.000 -0.183 0.000 3/32400 860.0 0.964 0.987 1.913 -0.000 -0.181 0.000 3/32400 870.0 0.954 0.977 1.892 -0.000 -0.179 0.000 3/32400 880.0 0.943 0.966 1.871 -0.000 -0.177 0.000 3/32400 890.0 0.933 0.956 1.851 -0.000 -0.175 0.000 3/32400 900.0 0.923 0.946 1.831 -0.000 -0.173 0.000 3/32400 910.0 0.913 0.937 1.812 -0.000 -0.171 0.000 3/32400 920.0 0.904 0.927 1.793 -0.000 -0.169 0.000 3/32400 930.0 0.895 0.918 1.775 -0.000 -0.167 0.000 3/32400 940.0 0.885 0.909 1.756 -0.000 -0.165 0.000 3/32400 950.0 0.876 0.900 1.739 -0.000 -0.164 0.000 3/32400 960.0 0.868 0.891 1.721 -0.000 -0.162 0.000 3/32400 970.0 0.859 0.882 1.704 -0.000 -0.160 0.000 3/32400 980.0 0.850 0.874 1.687 -0.000 -0.158 0.000 3/32400 990.0 0.842 0.865 1.671 -0.000 -0.157 0.000 3/32400 1000.0 0.834 0.857 1.654 -0.000 -0.155 0.000 3/32400 Thermal conductivity related properties were written into "kappa-m10109.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:21:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|