----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:33:03]------------------------- Compiled with OpenMP support (max 48 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.759047490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.509215760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.643696860000000 Atomic positions (fractional): *1 H 0.47414488621184 0.25000000000000 0.68168125066318 1.008 2 H 0.52585511378816 0.75000000000000 0.31831874933682 1.008 3 H 0.97414488621184 0.25000000000000 0.81831874933682 1.008 4 H 0.02585511378816 0.75000000000000 0.18168125066318 1.008 *5 H 0.64630919075166 0.75000000000000 0.92799518161821 1.008 6 H 0.35369080924834 0.25000000000000 0.07200481838179 1.008 7 H 0.14630919075166 0.75000000000000 0.57200481838179 1.008 8 H 0.85369080924834 0.25000000000000 0.42799518161821 1.008 *9 Ca 0.73974774068299 0.25000000000000 0.11075849731028 40.078 10 Ca 0.26025225931701 0.75000000000000 0.88924150268972 40.078 11 Ca 0.23974774068299 0.25000000000000 0.38924150268972 40.078 12 Ca 0.76025225931701 0.75000000000000 0.61075849731028 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.759047490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.509215760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.643696860000000 Atomic positions (fractional): *1 H 0.47414488621184 0.25000000000000 0.68168125066318 1.008 > 1 2 H 0.52585511378816 0.75000000000000 0.31831874933682 1.008 > 2 3 H 0.97414488621184 0.25000000000000 0.81831874933682 1.008 > 3 4 H 0.02585511378816 0.75000000000000 0.18168125066318 1.008 > 4 *5 H 0.64630919075166 0.75000000000000 0.92799518161821 1.008 > 5 6 H 0.35369080924834 0.25000000000000 0.07200481838179 1.008 > 6 7 H 0.14630919075166 0.75000000000000 0.57200481838179 1.008 > 7 8 H 0.85369080924834 0.25000000000000 0.42799518161821 1.008 > 8 *9 Ca 0.73974774068299 0.25000000000000 0.11075849731028 40.078 > 9 10 Ca 0.26025225931701 0.75000000000000 0.88924150268972 40.078 > 10 11 Ca 0.23974774068299 0.25000000000000 0.38924150268972 40.078 > 11 12 Ca 0.76025225931701 0.75000000000000 0.61075849731028 40.078 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.518094980000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.527647280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.287393720000001 Atomic positions (fractional): *1 H 0.23707244310592 0.08333333333333 0.34084062533159 1.008 > 1 2 H 0.73707244310592 0.08333333333333 0.34084062533159 1.008 > 1 3 H 0.23707244310592 0.41666666666667 0.34084062533159 1.008 > 1 4 H 0.73707244310592 0.41666666666667 0.34084062533159 1.008 > 1 5 H 0.23707244310592 0.75000000000000 0.34084062533159 1.008 > 1 6 H 0.73707244310592 0.75000000000000 0.34084062533159 1.008 > 1 7 H 0.23707244310592 0.08333333333333 0.84084062533159 1.008 > 1 8 H 0.73707244310592 0.08333333333333 0.84084062533159 1.008 > 1 9 H 0.23707244310592 0.41666666666667 0.84084062533159 1.008 > 1 10 H 0.73707244310592 0.41666666666667 0.84084062533159 1.008 > 1 11 H 0.23707244310592 0.75000000000000 0.84084062533159 1.008 > 1 12 H 0.73707244310592 0.75000000000000 0.84084062533159 1.008 > 1 13 H 0.26292755689408 0.25000000000000 0.15915937466841 1.008 > 2 14 H 0.76292755689408 0.25000000000000 0.15915937466841 1.008 > 2 15 H 0.26292755689408 0.58333333333333 0.15915937466841 1.008 > 2 16 H 0.76292755689408 0.58333333333333 0.15915937466841 1.008 > 2 17 H 0.26292755689408 0.91666666666667 0.15915937466841 1.008 > 2 18 H 0.76292755689408 0.91666666666667 0.15915937466841 1.008 > 2 19 H 0.26292755689408 0.25000000000000 0.65915937466841 1.008 > 2 20 H 0.76292755689408 0.25000000000000 0.65915937466841 1.008 > 2 21 H 0.26292755689408 0.58333333333333 0.65915937466841 1.008 > 2 22 H 0.76292755689408 0.58333333333333 0.65915937466841 1.008 > 2 23 H 0.26292755689408 0.91666666666667 0.65915937466841 1.008 > 2 24 H 0.76292755689408 0.91666666666667 0.65915937466841 1.008 > 2 25 H 0.48707244310592 0.08333333333333 0.40915937466841 1.008 > 3 26 H 0.98707244310592 0.08333333333333 0.40915937466841 1.008 > 3 27 H 0.48707244310592 0.41666666666667 0.40915937466841 1.008 > 3 28 H 0.98707244310592 0.41666666666667 0.40915937466841 1.008 > 3 29 H 0.48707244310592 0.75000000000000 0.40915937466841 1.008 > 3 30 H 0.98707244310592 0.75000000000000 0.40915937466841 1.008 > 3 31 H 0.48707244310592 0.08333333333333 0.90915937466841 1.008 > 3 32 H 0.98707244310592 0.08333333333333 0.90915937466841 1.008 > 3 33 H 0.48707244310592 0.41666666666667 0.90915937466841 1.008 > 3 34 H 0.98707244310592 0.41666666666667 0.90915937466841 1.008 > 3 35 H 0.48707244310592 0.75000000000000 0.90915937466841 1.008 > 3 36 H 0.98707244310592 0.75000000000000 0.90915937466841 1.008 > 3 37 H 0.01292755689408 0.25000000000000 0.09084062533159 1.008 > 4 38 H 0.51292755689408 0.25000000000000 0.09084062533159 1.008 > 4 39 H 0.01292755689408 0.58333333333333 0.09084062533159 1.008 > 4 40 H 0.51292755689408 0.58333333333333 0.09084062533159 1.008 > 4 41 H 0.01292755689408 0.91666666666667 0.09084062533159 1.008 > 4 42 H 0.51292755689408 0.91666666666667 0.09084062533159 1.008 > 4 43 H 0.01292755689408 0.25000000000000 0.59084062533159 1.008 > 4 44 H 0.51292755689408 0.25000000000000 0.59084062533159 1.008 > 4 45 H 0.01292755689408 0.58333333333333 0.59084062533159 1.008 > 4 46 H 0.51292755689408 0.58333333333333 0.59084062533159 1.008 > 4 47 H 0.01292755689408 0.91666666666667 0.59084062533159 1.008 > 4 48 H 0.51292755689408 0.91666666666667 0.59084062533159 1.008 > 4 *49 H 0.32315459537583 0.25000000000000 0.46399759080911 1.008 > 5 50 H 0.82315459537583 0.25000000000000 0.46399759080911 1.008 > 5 51 H 0.32315459537583 0.58333333333333 0.46399759080911 1.008 > 5 52 H 0.82315459537583 0.58333333333333 0.46399759080911 1.008 > 5 53 H 0.32315459537583 0.91666666666667 0.46399759080911 1.008 > 5 54 H 0.82315459537583 0.91666666666667 0.46399759080911 1.008 > 5 55 H 0.32315459537583 0.25000000000000 0.96399759080911 1.008 > 5 56 H 0.82315459537583 0.25000000000000 0.96399759080911 1.008 > 5 57 H 0.32315459537583 0.58333333333333 0.96399759080911 1.008 > 5 58 H 0.82315459537583 0.58333333333333 0.96399759080911 1.008 > 5 59 H 0.32315459537583 0.91666666666667 0.96399759080911 1.008 > 5 60 H 0.82315459537583 0.91666666666667 0.96399759080911 1.008 > 5 61 H 0.17684540462417 0.08333333333333 0.03600240919089 1.008 > 6 62 H 0.67684540462417 0.08333333333333 0.03600240919089 1.008 > 6 63 H 0.17684540462417 0.41666666666667 0.03600240919089 1.008 > 6 64 H 0.67684540462417 0.41666666666667 0.03600240919089 1.008 > 6 65 H 0.17684540462417 0.75000000000000 0.03600240919089 1.008 > 6 66 H 0.67684540462417 0.75000000000000 0.03600240919089 1.008 > 6 67 H 0.17684540462417 0.08333333333333 0.53600240919089 1.008 > 6 68 H 0.67684540462417 0.08333333333333 0.53600240919089 1.008 > 6 69 H 0.17684540462417 0.41666666666667 0.53600240919089 1.008 > 6 70 H 0.67684540462417 0.41666666666667 0.53600240919089 1.008 > 6 71 H 0.17684540462417 0.75000000000000 0.53600240919089 1.008 > 6 72 H 0.67684540462417 0.75000000000000 0.53600240919089 1.008 > 6 73 H 0.07315459537583 0.25000000000000 0.28600240919089 1.008 > 7 74 H 0.57315459537583 0.25000000000000 0.28600240919089 1.008 > 7 75 H 0.07315459537583 0.58333333333333 0.28600240919089 1.008 > 7 76 H 0.57315459537583 0.58333333333333 0.28600240919089 1.008 > 7 77 H 0.07315459537583 0.91666666666667 0.28600240919089 1.008 > 7 78 H 0.57315459537583 0.91666666666667 0.28600240919089 1.008 > 7 79 H 0.07315459537583 0.25000000000000 0.78600240919089 1.008 > 7 80 H 0.57315459537583 0.25000000000000 0.78600240919089 1.008 > 7 81 H 0.07315459537583 0.58333333333333 0.78600240919089 1.008 > 7 82 H 0.57315459537583 0.58333333333333 0.78600240919089 1.008 > 7 83 H 0.07315459537583 0.91666666666667 0.78600240919089 1.008 > 7 84 H 0.57315459537583 0.91666666666667 0.78600240919089 1.008 > 7 85 H 0.42684540462417 0.08333333333333 0.21399759080911 1.008 > 8 86 H 0.92684540462417 0.08333333333333 0.21399759080911 1.008 > 8 87 H 0.42684540462417 0.41666666666667 0.21399759080911 1.008 > 8 88 H 0.92684540462417 0.41666666666667 0.21399759080911 1.008 > 8 89 H 0.42684540462417 0.75000000000000 0.21399759080911 1.008 > 8 90 H 0.92684540462417 0.75000000000000 0.21399759080911 1.008 > 8 91 H 0.42684540462417 0.08333333333333 0.71399759080911 1.008 > 8 92 H 0.92684540462417 0.08333333333333 0.71399759080911 1.008 > 8 93 H 0.42684540462417 0.41666666666667 0.71399759080911 1.008 > 8 94 H 0.92684540462417 0.41666666666667 0.71399759080911 1.008 > 8 95 H 0.42684540462417 0.75000000000000 0.71399759080911 1.008 > 8 96 H 0.92684540462417 0.75000000000000 0.71399759080911 1.008 > 8 *97 Ca 0.36987387034150 0.08333333333333 0.05537924865514 40.078 > 9 98 Ca 0.86987387034150 0.08333333333333 0.05537924865514 40.078 > 9 99 Ca 0.36987387034150 0.41666666666667 0.05537924865514 40.078 > 9 100 Ca 0.86987387034150 0.41666666666667 0.05537924865514 40.078 > 9 101 Ca 0.36987387034150 0.75000000000000 0.05537924865514 40.078 > 9 102 Ca 0.86987387034150 0.75000000000000 0.05537924865514 40.078 > 9 103 Ca 0.36987387034150 0.08333333333333 0.55537924865514 40.078 > 9 104 Ca 0.86987387034150 0.08333333333333 0.55537924865514 40.078 > 9 105 Ca 0.36987387034150 0.41666666666667 0.55537924865514 40.078 > 9 106 Ca 0.86987387034150 0.41666666666667 0.55537924865514 40.078 > 9 107 Ca 0.36987387034150 0.75000000000000 0.55537924865514 40.078 > 9 108 Ca 0.86987387034150 0.75000000000000 0.55537924865514 40.078 > 9 109 Ca 0.13012612965850 0.25000000000000 0.44462075134486 40.078 > 10 110 Ca 0.63012612965850 0.25000000000000 0.44462075134486 40.078 > 10 111 Ca 0.13012612965850 0.58333333333333 0.44462075134486 40.078 > 10 112 Ca 0.63012612965850 0.58333333333333 0.44462075134486 40.078 > 10 113 Ca 0.13012612965850 0.91666666666667 0.44462075134486 40.078 > 10 114 Ca 0.63012612965850 0.91666666666667 0.44462075134486 40.078 > 10 115 Ca 0.13012612965850 0.25000000000000 0.94462075134486 40.078 > 10 116 Ca 0.63012612965850 0.25000000000000 0.94462075134486 40.078 > 10 117 Ca 0.13012612965850 0.58333333333333 0.94462075134486 40.078 > 10 118 Ca 0.63012612965850 0.58333333333333 0.94462075134486 40.078 > 10 119 Ca 0.13012612965850 0.91666666666667 0.94462075134486 40.078 > 10 120 Ca 0.63012612965850 0.91666666666667 0.94462075134486 40.078 > 10 121 Ca 0.11987387034150 0.08333333333333 0.19462075134486 40.078 > 11 122 Ca 0.61987387034150 0.08333333333333 0.19462075134486 40.078 > 11 123 Ca 0.11987387034150 0.41666666666667 0.19462075134486 40.078 > 11 124 Ca 0.61987387034150 0.41666666666667 0.19462075134486 40.078 > 11 125 Ca 0.11987387034150 0.75000000000000 0.19462075134486 40.078 > 11 126 Ca 0.61987387034150 0.75000000000000 0.19462075134486 40.078 > 11 127 Ca 0.11987387034150 0.08333333333333 0.69462075134486 40.078 > 11 128 Ca 0.61987387034150 0.08333333333333 0.69462075134486 40.078 > 11 129 Ca 0.11987387034150 0.41666666666667 0.69462075134486 40.078 > 11 130 Ca 0.61987387034150 0.41666666666667 0.69462075134486 40.078 > 11 131 Ca 0.11987387034150 0.75000000000000 0.69462075134486 40.078 > 11 132 Ca 0.61987387034150 0.75000000000000 0.69462075134486 40.078 > 11 133 Ca 0.38012612965850 0.25000000000000 0.30537924865514 40.078 > 12 134 Ca 0.88012612965850 0.25000000000000 0.30537924865514 40.078 > 12 135 Ca 0.38012612965850 0.58333333333333 0.30537924865514 40.078 > 12 136 Ca 0.88012612965850 0.58333333333333 0.30537924865514 40.078 > 12 137 Ca 0.38012612965850 0.91666666666667 0.30537924865514 40.078 > 12 138 Ca 0.88012612965850 0.91666666666667 0.30537924865514 40.078 > 12 139 Ca 0.38012612965850 0.25000000000000 0.80537924865514 40.078 > 12 140 Ca 0.88012612965850 0.25000000000000 0.80537924865514 40.078 > 12 141 Ca 0.38012612965850 0.58333333333333 0.80537924865514 40.078 > 12 142 Ca 0.88012612965850 0.58333333333333 0.80537924865514 40.078 > 12 143 Ca 0.38012612965850 0.91666666666667 0.80537924865514 40.078 > 12 144 Ca 0.88012612965850 0.91666666666667 0.80537924865514 40.078 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6755370 0.0000000 0.0000000 0.0000000 4.5722704 0.0000000 0.0000000 0.0000000 4.9197018 -------------------------- Born effective charges -------------------------- 1 H -0.9480852 0.0000000 0.0268160 0.0000000 -1.0005745 0.0000000 0.0557810 0.0000000 -0.9804778 2 H -0.9480852 0.0000000 0.0268160 0.0000000 -1.0005745 0.0000000 0.0557810 0.0000000 -0.9804778 3 H -0.9480852 0.0000000 -0.0268160 0.0000000 -1.0005745 0.0000000 -0.0557810 0.0000000 -0.9804778 4 H -0.9480852 0.0000000 -0.0268160 0.0000000 -1.0005745 0.0000000 -0.0557810 0.0000000 -0.9804778 5 H -0.9319156 0.0000000 -0.0257733 0.0000000 -0.8547704 0.0000000 -0.0457752 0.0000000 -0.9829884 6 H -0.9319156 0.0000000 -0.0257733 0.0000000 -0.8547704 0.0000000 -0.0457752 0.0000000 -0.9829884 7 H -0.9319156 0.0000000 0.0257733 0.0000000 -0.8547704 0.0000000 0.0457752 0.0000000 -0.9829884 8 H -0.9319156 0.0000000 0.0257733 0.0000000 -0.8547704 0.0000000 0.0457752 0.0000000 -0.9829884 9 Ca 1.8800007 0.0000000 -0.0152414 0.0000000 1.8553449 0.0000000 0.1113369 0.0000000 1.9634662 10 Ca 1.8800007 0.0000000 -0.0152414 0.0000000 1.8553449 0.0000000 0.1113369 0.0000000 1.9634662 11 Ca 1.8800007 0.0000000 0.0152414 0.0000000 1.8553449 0.0000000 -0.1113369 0.0000000 1.9634662 12 Ca 1.8800007 0.0000000 0.0152414 0.0000000 1.8553449 0.0000000 -0.1113369 0.0000000 1.9634662 ---------------------------------------------------------------------------- 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: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.010 Solver_block: 100 / 240 - Time: 0.556 Solver_block: 200 / 240 - Time: 0.561 Solver_block: 240 / 240 - Time: 0.317 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.460 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 8352/8352 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1080 Number of blocks in projector: 1080 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: 288 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 168 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 144 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 144 Use standard eigh solver. Tree of FC basis block matrices: - (1080, 1065), data: False |-- (144, 144), data: True |-- (144, 144), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (168, 165), data: True |-- (288, 282), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:33:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:33:20]------------------------- Compiled with OpenMP support (max 48 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.759047490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.509215760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.643696860000000 Atomic positions (fractional): 1 H 0.47414488621184 0.25000000000000 0.68168125066318 1.008 2 H 0.52585511378816 0.75000000000000 0.31831874933682 1.008 3 H 0.97414488621184 0.25000000000000 0.81831874933682 1.008 4 H 0.02585511378816 0.75000000000000 0.18168125066318 1.008 5 H 0.64630919075166 0.75000000000000 0.92799518161821 1.008 6 H 0.35369080924834 0.25000000000000 0.07200481838179 1.008 7 H 0.14630919075166 0.75000000000000 0.57200481838179 1.008 8 H 0.85369080924834 0.25000000000000 0.42799518161821 1.008 9 Ca 0.73974774068299 0.25000000000000 0.11075849731028 40.078 10 Ca 0.26025225931701 0.75000000000000 0.88924150268972 40.078 11 Ca 0.23974774068299 0.25000000000000 0.38924150268972 40.078 12 Ca 0.76025225931701 0.75000000000000 0.61075849731028 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.518094980000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.527647280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.287393720000001 Atomic positions (fractional): 1 H 0.23707244310592 0.08333333333333 0.34084062533159 1.008 > 1 2 H 0.73707244310592 0.08333333333333 0.34084062533159 1.008 > 1 3 H 0.23707244310592 0.41666666666667 0.34084062533159 1.008 > 1 4 H 0.73707244310592 0.41666666666667 0.34084062533159 1.008 > 1 5 H 0.23707244310592 0.75000000000000 0.34084062533159 1.008 > 1 6 H 0.73707244310592 0.75000000000000 0.34084062533159 1.008 > 1 7 H 0.23707244310592 0.08333333333333 0.84084062533159 1.008 > 1 8 H 0.73707244310592 0.08333333333333 0.84084062533159 1.008 > 1 9 H 0.23707244310592 0.41666666666667 0.84084062533159 1.008 > 1 10 H 0.73707244310592 0.41666666666667 0.84084062533159 1.008 > 1 11 H 0.23707244310592 0.75000000000000 0.84084062533159 1.008 > 1 12 H 0.73707244310592 0.75000000000000 0.84084062533159 1.008 > 1 13 H 0.26292755689408 0.25000000000000 0.15915937466841 1.008 > 13 14 H 0.76292755689408 0.25000000000000 0.15915937466841 1.008 > 13 15 H 0.26292755689408 0.58333333333333 0.15915937466841 1.008 > 13 16 H 0.76292755689408 0.58333333333333 0.15915937466841 1.008 > 13 17 H 0.26292755689408 0.91666666666667 0.15915937466841 1.008 > 13 18 H 0.76292755689408 0.91666666666667 0.15915937466841 1.008 > 13 19 H 0.26292755689408 0.25000000000000 0.65915937466841 1.008 > 13 20 H 0.76292755689408 0.25000000000000 0.65915937466841 1.008 > 13 21 H 0.26292755689408 0.58333333333333 0.65915937466841 1.008 > 13 22 H 0.76292755689408 0.58333333333333 0.65915937466841 1.008 > 13 23 H 0.26292755689408 0.91666666666667 0.65915937466841 1.008 > 13 24 H 0.76292755689408 0.91666666666667 0.65915937466841 1.008 > 13 25 H 0.48707244310592 0.08333333333333 0.40915937466841 1.008 > 25 26 H 0.98707244310592 0.08333333333333 0.40915937466841 1.008 > 25 27 H 0.48707244310592 0.41666666666667 0.40915937466841 1.008 > 25 28 H 0.98707244310592 0.41666666666667 0.40915937466841 1.008 > 25 29 H 0.48707244310592 0.75000000000000 0.40915937466841 1.008 > 25 30 H 0.98707244310592 0.75000000000000 0.40915937466841 1.008 > 25 31 H 0.48707244310592 0.08333333333333 0.90915937466841 1.008 > 25 32 H 0.98707244310592 0.08333333333333 0.90915937466841 1.008 > 25 33 H 0.48707244310592 0.41666666666667 0.90915937466841 1.008 > 25 34 H 0.98707244310592 0.41666666666667 0.90915937466841 1.008 > 25 35 H 0.48707244310592 0.75000000000000 0.90915937466841 1.008 > 25 36 H 0.98707244310592 0.75000000000000 0.90915937466841 1.008 > 25 37 H 0.01292755689408 0.25000000000000 0.09084062533159 1.008 > 37 38 H 0.51292755689408 0.25000000000000 0.09084062533159 1.008 > 37 39 H 0.01292755689408 0.58333333333333 0.09084062533159 1.008 > 37 40 H 0.51292755689408 0.58333333333333 0.09084062533159 1.008 > 37 41 H 0.01292755689408 0.91666666666667 0.09084062533159 1.008 > 37 42 H 0.51292755689408 0.91666666666667 0.09084062533159 1.008 > 37 43 H 0.01292755689408 0.25000000000000 0.59084062533159 1.008 > 37 44 H 0.51292755689408 0.25000000000000 0.59084062533159 1.008 > 37 45 H 0.01292755689408 0.58333333333333 0.59084062533159 1.008 > 37 46 H 0.51292755689408 0.58333333333333 0.59084062533159 1.008 > 37 47 H 0.01292755689408 0.91666666666667 0.59084062533159 1.008 > 37 48 H 0.51292755689408 0.91666666666667 0.59084062533159 1.008 > 37 49 H 0.32315459537583 0.25000000000000 0.46399759080911 1.008 > 49 50 H 0.82315459537583 0.25000000000000 0.46399759080911 1.008 > 49 51 H 0.32315459537583 0.58333333333333 0.46399759080911 1.008 > 49 52 H 0.82315459537583 0.58333333333333 0.46399759080911 1.008 > 49 53 H 0.32315459537583 0.91666666666667 0.46399759080911 1.008 > 49 54 H 0.82315459537583 0.91666666666667 0.46399759080911 1.008 > 49 55 H 0.32315459537583 0.25000000000000 0.96399759080911 1.008 > 49 56 H 0.82315459537583 0.25000000000000 0.96399759080911 1.008 > 49 57 H 0.32315459537583 0.58333333333333 0.96399759080911 1.008 > 49 58 H 0.82315459537583 0.58333333333333 0.96399759080911 1.008 > 49 59 H 0.32315459537583 0.91666666666667 0.96399759080911 1.008 > 49 60 H 0.82315459537583 0.91666666666667 0.96399759080911 1.008 > 49 61 H 0.17684540462417 0.08333333333333 0.03600240919089 1.008 > 61 62 H 0.67684540462417 0.08333333333333 0.03600240919089 1.008 > 61 63 H 0.17684540462417 0.41666666666667 0.03600240919089 1.008 > 61 64 H 0.67684540462417 0.41666666666667 0.03600240919089 1.008 > 61 65 H 0.17684540462417 0.75000000000000 0.03600240919089 1.008 > 61 66 H 0.67684540462417 0.75000000000000 0.03600240919089 1.008 > 61 67 H 0.17684540462417 0.08333333333333 0.53600240919089 1.008 > 61 68 H 0.67684540462417 0.08333333333333 0.53600240919089 1.008 > 61 69 H 0.17684540462417 0.41666666666667 0.53600240919089 1.008 > 61 70 H 0.67684540462417 0.41666666666667 0.53600240919089 1.008 > 61 71 H 0.17684540462417 0.75000000000000 0.53600240919089 1.008 > 61 72 H 0.67684540462417 0.75000000000000 0.53600240919089 1.008 > 61 73 H 0.07315459537583 0.25000000000000 0.28600240919089 1.008 > 73 74 H 0.57315459537583 0.25000000000000 0.28600240919089 1.008 > 73 75 H 0.07315459537583 0.58333333333333 0.28600240919089 1.008 > 73 76 H 0.57315459537583 0.58333333333333 0.28600240919089 1.008 > 73 77 H 0.07315459537583 0.91666666666667 0.28600240919089 1.008 > 73 78 H 0.57315459537583 0.91666666666667 0.28600240919089 1.008 > 73 79 H 0.07315459537583 0.25000000000000 0.78600240919089 1.008 > 73 80 H 0.57315459537583 0.25000000000000 0.78600240919089 1.008 > 73 81 H 0.07315459537583 0.58333333333333 0.78600240919089 1.008 > 73 82 H 0.57315459537583 0.58333333333333 0.78600240919089 1.008 > 73 83 H 0.07315459537583 0.91666666666667 0.78600240919089 1.008 > 73 84 H 0.57315459537583 0.91666666666667 0.78600240919089 1.008 > 73 85 H 0.42684540462417 0.08333333333333 0.21399759080911 1.008 > 85 86 H 0.92684540462417 0.08333333333333 0.21399759080911 1.008 > 85 87 H 0.42684540462417 0.41666666666667 0.21399759080911 1.008 > 85 88 H 0.92684540462417 0.41666666666667 0.21399759080911 1.008 > 85 89 H 0.42684540462417 0.75000000000000 0.21399759080911 1.008 > 85 90 H 0.92684540462417 0.75000000000000 0.21399759080911 1.008 > 85 91 H 0.42684540462417 0.08333333333333 0.71399759080911 1.008 > 85 92 H 0.92684540462417 0.08333333333333 0.71399759080911 1.008 > 85 93 H 0.42684540462417 0.41666666666667 0.71399759080911 1.008 > 85 94 H 0.92684540462417 0.41666666666667 0.71399759080911 1.008 > 85 95 H 0.42684540462417 0.75000000000000 0.71399759080911 1.008 > 85 96 H 0.92684540462417 0.75000000000000 0.71399759080911 1.008 > 85 97 Ca 0.36987387034150 0.08333333333333 0.05537924865514 40.078 > 97 98 Ca 0.86987387034150 0.08333333333333 0.05537924865514 40.078 > 97 99 Ca 0.36987387034150 0.41666666666667 0.05537924865514 40.078 > 97 100 Ca 0.86987387034150 0.41666666666667 0.05537924865514 40.078 > 97 101 Ca 0.36987387034150 0.75000000000000 0.05537924865514 40.078 > 97 102 Ca 0.86987387034150 0.75000000000000 0.05537924865514 40.078 > 97 103 Ca 0.36987387034150 0.08333333333333 0.55537924865514 40.078 > 97 104 Ca 0.86987387034150 0.08333333333333 0.55537924865514 40.078 > 97 105 Ca 0.36987387034150 0.41666666666667 0.55537924865514 40.078 > 97 106 Ca 0.86987387034150 0.41666666666667 0.55537924865514 40.078 > 97 107 Ca 0.36987387034150 0.75000000000000 0.55537924865514 40.078 > 97 108 Ca 0.86987387034150 0.75000000000000 0.55537924865514 40.078 > 97 109 Ca 0.13012612965850 0.25000000000000 0.44462075134486 40.078 > 109 110 Ca 0.63012612965850 0.25000000000000 0.44462075134486 40.078 > 109 111 Ca 0.13012612965850 0.58333333333333 0.44462075134486 40.078 > 109 112 Ca 0.63012612965850 0.58333333333333 0.44462075134486 40.078 > 109 113 Ca 0.13012612965850 0.91666666666667 0.44462075134486 40.078 > 109 114 Ca 0.63012612965850 0.91666666666667 0.44462075134486 40.078 > 109 115 Ca 0.13012612965850 0.25000000000000 0.94462075134486 40.078 > 109 116 Ca 0.63012612965850 0.25000000000000 0.94462075134486 40.078 > 109 117 Ca 0.13012612965850 0.58333333333333 0.94462075134486 40.078 > 109 118 Ca 0.63012612965850 0.58333333333333 0.94462075134486 40.078 > 109 119 Ca 0.13012612965850 0.91666666666667 0.94462075134486 40.078 > 109 120 Ca 0.63012612965850 0.91666666666667 0.94462075134486 40.078 > 109 121 Ca 0.11987387034150 0.08333333333333 0.19462075134486 40.078 > 121 122 Ca 0.61987387034150 0.08333333333333 0.19462075134486 40.078 > 121 123 Ca 0.11987387034150 0.41666666666667 0.19462075134486 40.078 > 121 124 Ca 0.61987387034150 0.41666666666667 0.19462075134486 40.078 > 121 125 Ca 0.11987387034150 0.75000000000000 0.19462075134486 40.078 > 121 126 Ca 0.61987387034150 0.75000000000000 0.19462075134486 40.078 > 121 127 Ca 0.11987387034150 0.08333333333333 0.69462075134486 40.078 > 121 128 Ca 0.61987387034150 0.08333333333333 0.69462075134486 40.078 > 121 129 Ca 0.11987387034150 0.41666666666667 0.69462075134486 40.078 > 121 130 Ca 0.61987387034150 0.41666666666667 0.69462075134486 40.078 > 121 131 Ca 0.11987387034150 0.75000000000000 0.69462075134486 40.078 > 121 132 Ca 0.61987387034150 0.75000000000000 0.69462075134486 40.078 > 121 133 Ca 0.38012612965850 0.25000000000000 0.30537924865514 40.078 > 133 134 Ca 0.88012612965850 0.25000000000000 0.30537924865514 40.078 > 133 135 Ca 0.38012612965850 0.58333333333333 0.30537924865514 40.078 > 133 136 Ca 0.88012612965850 0.58333333333333 0.30537924865514 40.078 > 133 137 Ca 0.38012612965850 0.91666666666667 0.30537924865514 40.078 > 133 138 Ca 0.88012612965850 0.91666666666667 0.30537924865514 40.078 > 133 139 Ca 0.38012612965850 0.25000000000000 0.80537924865514 40.078 > 133 140 Ca 0.88012612965850 0.25000000000000 0.80537924865514 40.078 > 133 141 Ca 0.38012612965850 0.58333333333333 0.80537924865514 40.078 > 133 142 Ca 0.88012612965850 0.58333333333333 0.80537924865514 40.078 > 133 143 Ca 0.38012612965850 0.91666666666667 0.80537924865514 40.078 > 133 144 Ca 0.88012612965850 0.91666666666667 0.80537924865514 40.078 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.6755370 0.0000000 0.0000000 0.0000000 4.5722704 0.0000000 0.0000000 0.0000000 4.9197018 -------------------------- Born effective charges -------------------------- 1 H -0.9480852 0.0000000 0.0268160 0.0000000 -1.0005745 0.0000000 0.0557810 0.0000000 -0.9804778 2 H -0.9480852 0.0000000 0.0268160 0.0000000 -1.0005745 0.0000000 0.0557810 0.0000000 -0.9804778 3 H -0.9480852 0.0000000 -0.0268160 0.0000000 -1.0005745 0.0000000 -0.0557810 0.0000000 -0.9804778 4 H -0.9480852 0.0000000 -0.0268160 0.0000000 -1.0005745 0.0000000 -0.0557810 0.0000000 -0.9804778 5 H -0.9319156 0.0000000 -0.0257733 0.0000000 -0.8547704 0.0000000 -0.0457752 0.0000000 -0.9829884 6 H -0.9319156 0.0000000 -0.0257733 0.0000000 -0.8547704 0.0000000 -0.0457752 0.0000000 -0.9829884 7 H -0.9319156 0.0000000 0.0257733 0.0000000 -0.8547704 0.0000000 0.0457752 0.0000000 -0.9829884 8 H -0.9319156 0.0000000 0.0257733 0.0000000 -0.8547704 0.0000000 0.0457752 0.0000000 -0.9829884 9 Ca 1.8800007 0.0000000 -0.0152414 0.0000000 1.8553449 0.0000000 0.1113369 0.0000000 1.9634662 10 Ca 1.8800007 0.0000000 -0.0152414 0.0000000 1.8553449 0.0000000 0.1113369 0.0000000 1.9634662 11 Ca 1.8800007 0.0000000 0.0152414 0.0000000 1.8553449 0.0000000 -0.1113369 0.0000000 1.9634662 12 Ca 1.8800007 0.0000000 0.0152414 0.0000000 1.8553449 0.0000000 -0.1113369 0.0000000 1.9634662 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:33:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:33:39]------------------------- Compiled with OpenMP support (max 48 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 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.759047490000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.509215760000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.643696860000000 Atomic positions (fractional): 1 H 0.47414488621184 0.25000000000000 0.68168125066318 1.008 2 H 0.52585511378816 0.75000000000000 0.31831874933682 1.008 3 H 0.97414488621184 0.25000000000000 0.81831874933682 1.008 4 H 0.02585511378816 0.75000000000000 0.18168125066318 1.008 5 H 0.64630919075166 0.75000000000000 0.92799518161821 1.008 6 H 0.35369080924834 0.25000000000000 0.07200481838179 1.008 7 H 0.14630919075166 0.75000000000000 0.57200481838179 1.008 8 H 0.85369080924834 0.25000000000000 0.42799518161821 1.008 9 Ca 0.73974774068299 0.25000000000000 0.11075849731028 40.078 10 Ca 0.26025225931701 0.75000000000000 0.88924150268972 40.078 11 Ca 0.23974774068299 0.25000000000000 0.38924150268972 40.078 12 Ca 0.76025225931701 0.75000000000000 0.61075849731028 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.518094980000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.527647280000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.287393720000001 Atomic positions (fractional): 1 H 0.23707244310592 0.08333333333333 0.34084062533159 1.008 > 1 2 H 0.73707244310592 0.08333333333333 0.34084062533159 1.008 > 1 3 H 0.23707244310592 0.41666666666667 0.34084062533159 1.008 > 1 4 H 0.73707244310592 0.41666666666667 0.34084062533159 1.008 > 1 5 H 0.23707244310592 0.75000000000000 0.34084062533159 1.008 > 1 6 H 0.73707244310592 0.75000000000000 0.34084062533159 1.008 > 1 7 H 0.23707244310592 0.08333333333333 0.84084062533159 1.008 > 1 8 H 0.73707244310592 0.08333333333333 0.84084062533159 1.008 > 1 9 H 0.23707244310592 0.41666666666667 0.84084062533159 1.008 > 1 10 H 0.73707244310592 0.41666666666667 0.84084062533159 1.008 > 1 11 H 0.23707244310592 0.75000000000000 0.84084062533159 1.008 > 1 12 H 0.73707244310592 0.75000000000000 0.84084062533159 1.008 > 1 13 H 0.26292755689408 0.25000000000000 0.15915937466841 1.008 > 13 14 H 0.76292755689408 0.25000000000000 0.15915937466841 1.008 > 13 15 H 0.26292755689408 0.58333333333333 0.15915937466841 1.008 > 13 16 H 0.76292755689408 0.58333333333333 0.15915937466841 1.008 > 13 17 H 0.26292755689408 0.91666666666667 0.15915937466841 1.008 > 13 18 H 0.76292755689408 0.91666666666667 0.15915937466841 1.008 > 13 19 H 0.26292755689408 0.25000000000000 0.65915937466841 1.008 > 13 20 H 0.76292755689408 0.25000000000000 0.65915937466841 1.008 > 13 21 H 0.26292755689408 0.58333333333333 0.65915937466841 1.008 > 13 22 H 0.76292755689408 0.58333333333333 0.65915937466841 1.008 > 13 23 H 0.26292755689408 0.91666666666667 0.65915937466841 1.008 > 13 24 H 0.76292755689408 0.91666666666667 0.65915937466841 1.008 > 13 25 H 0.48707244310592 0.08333333333333 0.40915937466841 1.008 > 25 26 H 0.98707244310592 0.08333333333333 0.40915937466841 1.008 > 25 27 H 0.48707244310592 0.41666666666667 0.40915937466841 1.008 > 25 28 H 0.98707244310592 0.41666666666667 0.40915937466841 1.008 > 25 29 H 0.48707244310592 0.75000000000000 0.40915937466841 1.008 > 25 30 H 0.98707244310592 0.75000000000000 0.40915937466841 1.008 > 25 31 H 0.48707244310592 0.08333333333333 0.90915937466841 1.008 > 25 32 H 0.98707244310592 0.08333333333333 0.90915937466841 1.008 > 25 33 H 0.48707244310592 0.41666666666667 0.90915937466841 1.008 > 25 34 H 0.98707244310592 0.41666666666667 0.90915937466841 1.008 > 25 35 H 0.48707244310592 0.75000000000000 0.90915937466841 1.008 > 25 36 H 0.98707244310592 0.75000000000000 0.90915937466841 1.008 > 25 37 H 0.01292755689408 0.25000000000000 0.09084062533159 1.008 > 37 38 H 0.51292755689408 0.25000000000000 0.09084062533159 1.008 > 37 39 H 0.01292755689408 0.58333333333333 0.09084062533159 1.008 > 37 40 H 0.51292755689408 0.58333333333333 0.09084062533159 1.008 > 37 41 H 0.01292755689408 0.91666666666667 0.09084062533159 1.008 > 37 42 H 0.51292755689408 0.91666666666667 0.09084062533159 1.008 > 37 43 H 0.01292755689408 0.25000000000000 0.59084062533159 1.008 > 37 44 H 0.51292755689408 0.25000000000000 0.59084062533159 1.008 > 37 45 H 0.01292755689408 0.58333333333333 0.59084062533159 1.008 > 37 46 H 0.51292755689408 0.58333333333333 0.59084062533159 1.008 > 37 47 H 0.01292755689408 0.91666666666667 0.59084062533159 1.008 > 37 48 H 0.51292755689408 0.91666666666667 0.59084062533159 1.008 > 37 49 H 0.32315459537583 0.25000000000000 0.46399759080911 1.008 > 49 50 H 0.82315459537583 0.25000000000000 0.46399759080911 1.008 > 49 51 H 0.32315459537583 0.58333333333333 0.46399759080911 1.008 > 49 52 H 0.82315459537583 0.58333333333333 0.46399759080911 1.008 > 49 53 H 0.32315459537583 0.91666666666667 0.46399759080911 1.008 > 49 54 H 0.82315459537583 0.91666666666667 0.46399759080911 1.008 > 49 55 H 0.32315459537583 0.25000000000000 0.96399759080911 1.008 > 49 56 H 0.82315459537583 0.25000000000000 0.96399759080911 1.008 > 49 57 H 0.32315459537583 0.58333333333333 0.96399759080911 1.008 > 49 58 H 0.82315459537583 0.58333333333333 0.96399759080911 1.008 > 49 59 H 0.32315459537583 0.91666666666667 0.96399759080911 1.008 > 49 60 H 0.82315459537583 0.91666666666667 0.96399759080911 1.008 > 49 61 H 0.17684540462417 0.08333333333333 0.03600240919089 1.008 > 61 62 H 0.67684540462417 0.08333333333333 0.03600240919089 1.008 > 61 63 H 0.17684540462417 0.41666666666667 0.03600240919089 1.008 > 61 64 H 0.67684540462417 0.41666666666667 0.03600240919089 1.008 > 61 65 H 0.17684540462417 0.75000000000000 0.03600240919089 1.008 > 61 66 H 0.67684540462417 0.75000000000000 0.03600240919089 1.008 > 61 67 H 0.17684540462417 0.08333333333333 0.53600240919089 1.008 > 61 68 H 0.67684540462417 0.08333333333333 0.53600240919089 1.008 > 61 69 H 0.17684540462417 0.41666666666667 0.53600240919089 1.008 > 61 70 H 0.67684540462417 0.41666666666667 0.53600240919089 1.008 > 61 71 H 0.17684540462417 0.75000000000000 0.53600240919089 1.008 > 61 72 H 0.67684540462417 0.75000000000000 0.53600240919089 1.008 > 61 73 H 0.07315459537583 0.25000000000000 0.28600240919089 1.008 > 73 74 H 0.57315459537583 0.25000000000000 0.28600240919089 1.008 > 73 75 H 0.07315459537583 0.58333333333333 0.28600240919089 1.008 > 73 76 H 0.57315459537583 0.58333333333333 0.28600240919089 1.008 > 73 77 H 0.07315459537583 0.91666666666667 0.28600240919089 1.008 > 73 78 H 0.57315459537583 0.91666666666667 0.28600240919089 1.008 > 73 79 H 0.07315459537583 0.25000000000000 0.78600240919089 1.008 > 73 80 H 0.57315459537583 0.25000000000000 0.78600240919089 1.008 > 73 81 H 0.07315459537583 0.58333333333333 0.78600240919089 1.008 > 73 82 H 0.57315459537583 0.58333333333333 0.78600240919089 1.008 > 73 83 H 0.07315459537583 0.91666666666667 0.78600240919089 1.008 > 73 84 H 0.57315459537583 0.91666666666667 0.78600240919089 1.008 > 73 85 H 0.42684540462417 0.08333333333333 0.21399759080911 1.008 > 85 86 H 0.92684540462417 0.08333333333333 0.21399759080911 1.008 > 85 87 H 0.42684540462417 0.41666666666667 0.21399759080911 1.008 > 85 88 H 0.92684540462417 0.41666666666667 0.21399759080911 1.008 > 85 89 H 0.42684540462417 0.75000000000000 0.21399759080911 1.008 > 85 90 H 0.92684540462417 0.75000000000000 0.21399759080911 1.008 > 85 91 H 0.42684540462417 0.08333333333333 0.71399759080911 1.008 > 85 92 H 0.92684540462417 0.08333333333333 0.71399759080911 1.008 > 85 93 H 0.42684540462417 0.41666666666667 0.71399759080911 1.008 > 85 94 H 0.92684540462417 0.41666666666667 0.71399759080911 1.008 > 85 95 H 0.42684540462417 0.75000000000000 0.71399759080911 1.008 > 85 96 H 0.92684540462417 0.75000000000000 0.71399759080911 1.008 > 85 97 Ca 0.36987387034150 0.08333333333333 0.05537924865514 40.078 > 97 98 Ca 0.86987387034150 0.08333333333333 0.05537924865514 40.078 > 97 99 Ca 0.36987387034150 0.41666666666667 0.05537924865514 40.078 > 97 100 Ca 0.86987387034150 0.41666666666667 0.05537924865514 40.078 > 97 101 Ca 0.36987387034150 0.75000000000000 0.05537924865514 40.078 > 97 102 Ca 0.86987387034150 0.75000000000000 0.05537924865514 40.078 > 97 103 Ca 0.36987387034150 0.08333333333333 0.55537924865514 40.078 > 97 104 Ca 0.86987387034150 0.08333333333333 0.55537924865514 40.078 > 97 105 Ca 0.36987387034150 0.41666666666667 0.55537924865514 40.078 > 97 106 Ca 0.86987387034150 0.41666666666667 0.55537924865514 40.078 > 97 107 Ca 0.36987387034150 0.75000000000000 0.55537924865514 40.078 > 97 108 Ca 0.86987387034150 0.75000000000000 0.55537924865514 40.078 > 97 109 Ca 0.13012612965850 0.25000000000000 0.44462075134486 40.078 > 109 110 Ca 0.63012612965850 0.25000000000000 0.44462075134486 40.078 > 109 111 Ca 0.13012612965850 0.58333333333333 0.44462075134486 40.078 > 109 112 Ca 0.63012612965850 0.58333333333333 0.44462075134486 40.078 > 109 113 Ca 0.13012612965850 0.91666666666667 0.44462075134486 40.078 > 109 114 Ca 0.63012612965850 0.91666666666667 0.44462075134486 40.078 > 109 115 Ca 0.13012612965850 0.25000000000000 0.94462075134486 40.078 > 109 116 Ca 0.63012612965850 0.25000000000000 0.94462075134486 40.078 > 109 117 Ca 0.13012612965850 0.58333333333333 0.94462075134486 40.078 > 109 118 Ca 0.63012612965850 0.58333333333333 0.94462075134486 40.078 > 109 119 Ca 0.13012612965850 0.91666666666667 0.94462075134486 40.078 > 109 120 Ca 0.63012612965850 0.91666666666667 0.94462075134486 40.078 > 109 121 Ca 0.11987387034150 0.08333333333333 0.19462075134486 40.078 > 121 122 Ca 0.61987387034150 0.08333333333333 0.19462075134486 40.078 > 121 123 Ca 0.11987387034150 0.41666666666667 0.19462075134486 40.078 > 121 124 Ca 0.61987387034150 0.41666666666667 0.19462075134486 40.078 > 121 125 Ca 0.11987387034150 0.75000000000000 0.19462075134486 40.078 > 121 126 Ca 0.61987387034150 0.75000000000000 0.19462075134486 40.078 > 121 127 Ca 0.11987387034150 0.08333333333333 0.69462075134486 40.078 > 121 128 Ca 0.61987387034150 0.08333333333333 0.69462075134486 40.078 > 121 129 Ca 0.11987387034150 0.41666666666667 0.69462075134486 40.078 > 121 130 Ca 0.61987387034150 0.41666666666667 0.69462075134486 40.078 > 121 131 Ca 0.11987387034150 0.75000000000000 0.69462075134486 40.078 > 121 132 Ca 0.61987387034150 0.75000000000000 0.69462075134486 40.078 > 121 133 Ca 0.38012612965850 0.25000000000000 0.30537924865514 40.078 > 133 134 Ca 0.88012612965850 0.25000000000000 0.30537924865514 40.078 > 133 135 Ca 0.38012612965850 0.58333333333333 0.30537924865514 40.078 > 133 136 Ca 0.88012612965850 0.58333333333333 0.30537924865514 40.078 > 133 137 Ca 0.38012612965850 0.91666666666667 0.30537924865514 40.078 > 133 138 Ca 0.88012612965850 0.91666666666667 0.30537924865514 40.078 > 133 139 Ca 0.38012612965850 0.25000000000000 0.80537924865514 40.078 > 133 140 Ca 0.88012612965850 0.25000000000000 0.80537924865514 40.078 > 133 141 Ca 0.38012612965850 0.58333333333333 0.80537924865514 40.078 > 133 142 Ca 0.88012612965850 0.58333333333333 0.80537924865514 40.078 > 133 143 Ca 0.38012612965850 0.91666666666667 0.80537924865514 40.078 > 133 144 Ca 0.88012612965850 0.91666666666667 0.80537924865514 40.078 > 133 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.6755370 0.0000000 0.0000000 0.0000000 4.5722704 0.0000000 0.0000000 0.0000000 4.9197018 -------------------------- Born effective charges -------------------------- 1 H -0.9480852 0.0000000 0.0268160 0.0000000 -1.0005745 0.0000000 0.0557810 0.0000000 -0.9804778 2 H -0.9480852 0.0000000 0.0268160 0.0000000 -1.0005745 0.0000000 0.0557810 0.0000000 -0.9804778 3 H -0.9480852 0.0000000 -0.0268160 0.0000000 -1.0005745 0.0000000 -0.0557810 0.0000000 -0.9804778 4 H -0.9480852 0.0000000 -0.0268160 0.0000000 -1.0005745 0.0000000 -0.0557810 0.0000000 -0.9804778 5 H -0.9319156 0.0000000 -0.0257733 0.0000000 -0.8547704 0.0000000 -0.0457752 0.0000000 -0.9829884 6 H -0.9319156 0.0000000 -0.0257733 0.0000000 -0.8547704 0.0000000 -0.0457752 0.0000000 -0.9829884 7 H -0.9319156 0.0000000 0.0257733 0.0000000 -0.8547704 0.0000000 0.0457752 0.0000000 -0.9829884 8 H -0.9319156 0.0000000 0.0257733 0.0000000 -0.8547704 0.0000000 0.0457752 0.0000000 -0.9829884 9 Ca 1.8800007 0.0000000 -0.0152414 0.0000000 1.8553449 0.0000000 0.1113369 0.0000000 1.9634662 10 Ca 1.8800007 0.0000000 -0.0152414 0.0000000 1.8553449 0.0000000 0.1113369 0.0000000 1.9634662 11 Ca 1.8800007 0.0000000 0.0152414 0.0000000 1.8553449 0.0000000 -0.1113369 0.0000000 1.9634662 12 Ca 1.8800007 0.0000000 0.0152414 0.0000000 1.8553449 0.0000000 -0.1113369 0.0000000 1.9634662 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 14 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.81, Number of G-points: 303, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/200) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 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 3.937 ( 0.000 0.000 0.000) 0.000 4.599 ( 0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.840 ( 0.000 0.000 0.000) 0.000 6.063 ( 0.000 0.000 0.000) 0.000 7.062 ( 0.000 0.000 0.000) 0.000 7.371 ( 0.000 0.000 0.000) 0.000 8.287 ( 0.000 0.000 0.000) 0.000 18.914 ( 0.000 0.000 0.000) 0.000 19.640 ( 0.000 0.000 0.000) 0.000 20.275 ( 0.000 0.000 0.000) 0.000 20.889 ( 0.000 0.000 0.000) 0.000 21.395 ( 0.000 0.000 0.000) 0.000 21.699 ( 0.000 0.000 0.000) 0.000 21.799 ( 0.000 0.000 0.000) 0.000 22.578 ( 0.000 0.000 0.000) 0.000 22.954 ( 0.000 0.000 0.000) 0.000 23.039 ( 0.000 0.000 0.000) 0.000 23.836 ( 0.000 0.000 0.000) 0.000 26.139 ( 0.000 0.000 0.000) 0.000 27.191 ( 0.000 0.000 0.000) 0.000 28.981 ( 0.000 0.000 0.000) 0.000 29.325 ( 0.000 0.000 0.000) 0.000 29.861 ( 0.000 0.000 0.000) 0.000 30.169 ( 0.000 0.000 0.000) 0.000 31.117 ( 0.000 0.000 0.000) 0.000 31.447 ( 0.000 0.000 0.000) 0.000 31.796 ( 0.000 0.000 0.000) 0.000 32.191 ( 0.000 0.000 0.000) 0.000 32.810 ( 0.000 0.000 0.000) 0.000 33.715 ( 0.000 0.000 0.000) 0.000 34.884 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/200) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 42.287 0.000 0.000) 42.287 0.839 ( 42.890 0.000 0.000) 42.890 1.268 ( 64.929 0.000 0.000) 64.929 3.983 ( 4.506 0.000 0.000) 4.506 4.545 ( -5.476 0.000 0.000) 5.476 4.642 ( -7.515 0.000 0.000) 7.515 5.431 ( -3.823 0.000 0.000) 3.823 5.612 ( -19.935 0.000 0.000) 19.935 5.894 ( -15.496 0.000 0.000) 15.496 7.247 ( 15.345 0.000 0.000) 15.345 7.595 ( 12.071 0.000 0.000) 12.071 8.150 ( -13.658 0.000 0.000) 13.658 18.940 ( 2.654 0.000 0.000) 2.654 20.281 ( 0.700 0.000 0.000) 0.700 20.359 ( -8.364 0.000 0.000) 8.364 20.856 ( -3.321 0.000 0.000) 3.321 21.410 ( 1.550 0.000 0.000) 1.550 21.748 ( 5.005 0.000 0.000) 5.005 22.522 ( -5.727 0.000 0.000) 5.727 22.949 ( -0.519 0.000 0.000) 0.519 23.005 ( -3.505 0.000 0.000) 3.505 23.735 ( -9.734 0.000 0.000) 9.734 26.219 ( 7.668 0.000 0.000) 7.668 26.327 ( 5.371 0.000 0.000) 5.371 28.962 ( -1.731 0.000 0.000) 1.731 29.288 ( -3.709 0.000 0.000) 3.709 29.964 ( 10.162 0.000 0.000) 10.162 30.199 ( 3.028 0.000 0.000) 3.028 31.067 ( -4.620 0.000 0.000) 4.620 31.485 ( 3.445 0.000 0.000) 3.445 31.577 ( -2.455 0.000 0.000) 2.455 31.793 ( -0.259 0.000 0.000) 0.259 32.199 ( 0.824 0.000 0.000) 0.824 32.762 ( -4.555 0.000 0.000) 4.555 33.786 ( 6.914 0.000 0.000) 6.914 35.025 ( -2.347 0.000 0.000) 2.347 ======================= Grid point 2 (3/200) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 39.945 0.000 0.000) 39.945 1.643 ( 40.122 0.000 0.000) 40.122 2.483 ( 60.072 0.000 0.000) 60.072 4.080 ( 3.240 0.000 0.000) 3.240 4.412 ( -6.206 0.000 0.000) 6.206 4.439 ( -12.770 0.000 0.000) 12.770 5.191 ( -21.720 0.000 0.000) 21.720 5.322 ( -7.421 0.000 0.000) 7.421 5.550 ( -18.396 0.000 0.000) 18.396 7.455 ( -4.121 0.000 0.000) 4.121 7.850 ( 12.974 0.000 0.000) 12.974 7.860 ( -7.172 0.000 0.000) 7.172 19.017 ( 5.420 0.000 0.000) 5.420 20.142 ( -13.450 0.000 0.000) 13.450 20.303 ( 1.634 0.000 0.000) 1.634 20.767 ( -5.699 0.000 0.000) 5.699 21.459 ( 3.701 0.000 0.000) 3.701 21.884 ( 8.831 0.000 0.000) 8.831 22.367 ( -10.011 0.000 0.000) 10.011 22.909 ( -6.301 0.000 0.000) 6.301 22.937 ( -0.638 0.000 0.000) 0.638 23.498 ( -13.852 0.000 0.000) 13.852 26.399 ( 10.080 0.000 0.000) 10.080 26.462 ( 7.999 0.000 0.000) 7.999 28.927 ( -1.614 0.000 0.000) 1.614 29.192 ( -5.971 0.000 0.000) 5.971 30.224 ( 16.066 0.000 0.000) 16.066 30.281 ( 5.398 0.000 0.000) 5.398 30.957 ( -6.447 0.000 0.000) 6.447 31.503 ( -5.329 0.000 0.000) 5.329 31.561 ( 4.058 0.000 0.000) 4.058 31.785 ( -0.620 0.000 0.000) 0.620 32.223 ( 1.682 0.000 0.000) 1.682 32.653 ( -6.355 0.000 0.000) 6.355 33.963 ( 10.916 0.000 0.000) 10.916 34.955 ( -4.978 0.000 0.000) 4.978 ======================= Grid point 3 (4/200) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 36.153 0.000 0.000) 36.153 2.375 ( 35.450 0.000 0.000) 35.450 3.467 ( 32.514 0.000 0.000) 32.514 3.953 ( -15.988 0.000 0.000) 15.988 4.249 ( 0.987 0.000 0.000) 0.987 4.449 ( 9.377 0.000 0.000) 9.377 4.828 ( -14.993 0.000 0.000) 14.993 5.148 ( -10.476 0.000 0.000) 10.476 5.248 ( -10.564 0.000 0.000) 10.564 6.965 ( -37.278 0.000 0.000) 37.278 7.982 ( 10.352 0.000 0.000) 10.352 8.062 ( 8.498 0.000 0.000) 8.498 19.150 ( 8.352 0.000 0.000) 8.352 19.864 ( -14.917 0.000 0.000) 14.917 20.347 ( 2.955 0.000 0.000) 2.955 20.646 ( -6.581 0.000 0.000) 6.581 21.557 ( 6.543 0.000 0.000) 6.543 22.082 ( 11.504 0.000 0.000) 11.504 22.150 ( -12.004 0.000 0.000) 12.004 22.763 ( -8.910 0.000 0.000) 8.910 22.931 ( 0.220 0.000 0.000) 0.220 23.237 ( -12.330 0.000 0.000) 12.330 26.579 ( 8.003 0.000 0.000) 8.003 26.611 ( 6.737 0.000 0.000) 6.737 28.906 ( -0.406 0.000 0.000) 0.406 29.072 ( -6.020 0.000 0.000) 6.020 30.401 ( 6.824 0.000 0.000) 6.824 30.555 ( 17.603 0.000 0.000) 17.603 30.825 ( -7.162 0.000 0.000) 7.162 31.367 ( -8.812 0.000 0.000) 8.812 31.635 ( 3.540 0.000 0.000) 3.540 31.768 ( -1.151 0.000 0.000) 1.151 32.265 ( 2.710 0.000 0.000) 2.710 32.529 ( -6.236 0.000 0.000) 6.236 34.192 ( 12.490 0.000 0.000) 12.490 34.832 ( -7.848 0.000 0.000) 7.848 ======================= Grid point 4 (5/200) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.999 ( 28.892 0.000 0.000) 28.892 3.009 ( 31.090 0.000 0.000) 31.090 3.472 ( -18.942 0.000 0.000) 18.942 3.550 ( -24.862 0.000 0.000) 24.862 4.543 ( 10.371 0.000 0.000) 10.371 4.634 ( -5.252 0.000 0.000) 5.252 4.676 ( 12.903 0.000 0.000) 12.903 4.924 ( -12.530 0.000 0.000) 12.530 5.370 ( 29.803 0.000 0.000) 29.803 6.159 ( -44.505 0.000 0.000) 44.505 8.136 ( 4.996 0.000 0.000) 4.996 8.165 ( 1.993 0.000 0.000) 1.993 19.340 ( 11.313 0.000 0.000) 11.313 19.583 ( -13.807 0.000 0.000) 13.807 20.419 ( 4.573 0.000 0.000) 4.573 20.522 ( -6.019 0.000 0.000) 6.019 21.713 ( 9.510 0.000 0.000) 9.510 21.919 ( -11.644 0.000 0.000) 11.644 22.319 ( 12.816 0.000 0.000) 12.816 22.562 ( -11.862 0.000 0.000) 11.862 22.955 ( 2.649 0.000 0.000) 2.649 23.047 ( -7.163 0.000 0.000) 7.163 26.691 ( 3.337 0.000 0.000) 3.337 26.701 ( 2.292 0.000 0.000) 2.292 28.916 ( 1.611 0.000 0.000) 1.611 28.972 ( -4.149 0.000 0.000) 4.149 30.539 ( 7.421 0.000 0.000) 7.421 30.684 ( -7.467 0.000 0.000) 7.467 30.883 ( 15.972 0.000 0.000) 15.972 31.161 ( -12.627 0.000 0.000) 12.627 31.695 ( 2.708 0.000 0.000) 2.708 31.739 ( -1.865 0.000 0.000) 1.865 32.329 ( 3.955 0.000 0.000) 3.955 32.418 ( -5.245 0.000 0.000) 5.245 34.433 ( 12.229 0.000 0.000) 12.229 34.654 ( -10.493 0.000 0.000) 10.493 ======================= Grid point 9 (6/200) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 0.000 40.200 0.000) 40.200 0.868 ( 0.000 42.154 0.000) 42.154 1.436 ( 0.000 68.874 0.000) 68.874 4.089 ( 0.000 14.317 0.000) 14.317 4.755 ( 0.000 14.517 0.000) 14.517 4.758 ( 0.000 4.338 0.000) 4.338 5.616 ( 0.000 14.018 0.000) 14.018 5.843 ( 0.000 0.502 0.000) 0.502 6.041 ( 0.000 -2.120 0.000) 2.120 7.019 ( 0.000 -4.183 0.000) 4.183 7.324 ( 0.000 -4.525 0.000) 4.525 8.242 ( 0.000 -4.316 0.000) 4.316 18.950 ( 0.000 3.549 0.000) 3.549 19.627 ( 0.000 -1.191 0.000) 1.191 20.840 ( 0.000 -4.669 0.000) 4.669 21.297 ( 0.000 -6.303 0.000) 6.303 21.638 ( 0.000 -5.968 0.000) 5.968 21.993 ( 0.000 15.775 0.000) 15.775 22.318 ( 0.000 -21.608 0.000) 21.608 22.981 ( 0.000 2.675 0.000) 2.675 23.035 ( 0.000 -0.500 0.000) 0.500 24.019 ( 0.000 13.730 0.000) 13.730 25.939 ( 0.000 -18.832 0.000) 18.832 26.650 ( 0.000 -6.514 0.000) 6.514 27.220 ( 0.000 2.716 0.000) 2.716 28.921 ( 0.000 -4.709 0.000) 4.709 29.286 ( 0.000 -3.828 0.000) 3.828 29.541 ( 0.000 -26.906 0.000) 26.906 30.345 ( 0.000 15.378 0.000) 15.378 31.496 ( 0.000 4.724 0.000) 4.724 32.030 ( 0.000 18.856 0.000) 18.856 32.195 ( 0.000 0.440 0.000) 0.440 32.789 ( 0.000 -1.880 0.000) 1.880 33.675 ( 0.000 -3.832 0.000) 3.832 34.398 ( 0.000 -3.206 0.000) 3.206 34.799 ( 0.000 -8.206 0.000) 8.206 ======================= Grid point 10 (7/200) ======================= q-point: ( 0.11 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 26.806 28.344 0.000) 39.012 1.157 ( 30.330 27.317 0.000) 40.818 1.943 ( 43.137 51.739 0.000) 67.363 4.137 ( 4.719 14.534 0.000) 15.280 4.675 ( -8.012 3.890 0.000) 8.906 4.698 ( -5.793 14.192 0.000) 15.329 5.555 ( -6.731 10.532 0.000) 12.499 5.617 ( -19.678 0.666 0.000) 19.689 5.890 ( -12.525 1.265 0.000) 12.589 7.203 ( 15.154 -4.265 0.000) 15.742 7.510 ( 14.502 -6.419 0.000) 15.859 8.111 ( -13.044 -3.746 0.000) 13.571 18.976 ( 2.758 3.644 0.000) 4.570 19.719 ( 5.825 -12.303 0.000) 13.612 20.806 ( -3.448 -4.787 0.000) 5.900 21.004 ( -22.156 6.937 0.000) 23.216 21.654 ( -4.935 18.844 0.000) 19.479 21.755 ( 0.191 4.942 0.000) 4.946 22.270 ( -4.742 -20.814 0.000) 21.347 23.004 ( -3.243 -0.421 0.000) 3.270 23.014 ( 0.734 5.019 0.000) 5.073 23.914 ( -10.205 13.663 0.000) 17.053 26.007 ( 6.510 -20.009 0.000) 21.041 26.265 ( -4.597 -6.230 0.000) 7.743 28.592 ( 52.456 -59.710 0.000) 79.478 28.902 ( -1.639 -4.804 0.000) 5.076 29.408 ( 18.687 -12.584 0.000) 22.529 29.637 ( 9.303 -26.700 0.000) 28.274 30.378 ( 3.490 15.286 0.000) 15.679 31.475 ( -2.226 4.920 0.000) 5.400 32.037 ( 0.805 19.575 0.000) 19.592 32.199 ( 0.463 0.536 0.000) 0.708 32.742 ( -4.415 -1.771 0.000) 4.757 33.576 ( -49.406 48.631 0.000) 69.325 33.744 ( 6.705 -4.028 0.000) 7.822 34.887 ( 0.470 -11.984 0.000) 11.993 ======================= Grid point 11 (8/200) ======================= q-point: ( 0.22 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 36.291 14.002 0.000) 38.898 1.812 ( 35.456 16.087 0.000) 38.935 2.873 ( 49.995 34.488 0.000) 60.737 4.238 ( 3.375 14.941 0.000) 15.317 4.466 ( -12.832 3.103 0.000) 13.202 4.553 ( -7.244 12.792 0.000) 14.701 5.208 ( -20.605 2.001 0.000) 20.701 5.349 ( -13.871 0.563 0.000) 13.882 5.652 ( -11.328 11.812 0.000) 16.366 7.409 ( -3.194 -4.483 0.000) 5.504 7.790 ( 13.551 -5.631 0.000) 14.674 7.835 ( -7.309 -2.389 0.000) 7.689 19.057 ( 5.559 3.866 0.000) 6.771 19.786 ( 0.826 -15.022 0.000) 15.045 20.650 ( -14.241 12.180 0.000) 18.740 20.714 ( -5.839 -5.027 0.000) 7.705 21.575 ( -1.615 12.744 0.000) 12.846 21.876 ( 8.671 -1.594 0.000) 8.816 22.145 ( -7.889 -18.453 0.000) 20.068 22.911 ( -6.409 -0.490 0.000) 6.428 23.014 ( -0.212 6.973 0.000) 6.976 23.664 ( -14.618 13.394 0.000) 19.826 26.161 ( 8.668 -22.582 0.000) 24.189 26.301 ( 5.204 -15.721 0.000) 16.560 28.870 ( -1.456 -4.561 0.000) 4.788 28.937 ( 1.033 -24.803 0.000) 24.825 29.863 ( 13.099 -26.860 0.000) 29.884 29.932 ( 23.975 -40.437 0.000) 47.011 30.478 ( 6.878 14.718 0.000) 16.246 31.406 ( -5.028 5.250 0.000) 7.269 32.061 ( 1.642 21.727 0.000) 21.789 32.213 ( 0.993 1.177 0.000) 1.540 32.637 ( -6.069 -1.449 0.000) 6.240 32.867 ( -25.443 53.602 0.000) 59.334 33.914 ( 10.519 -4.597 0.000) 11.480 34.846 ( -4.079 -10.337 0.000) 11.112 ======================= Grid point 12 (9/200) ======================= q-point: ( 0.33 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 35.012 9.162 0.000) 36.191 2.479 ( 32.915 10.113 0.000) 34.433 3.688 ( 22.448 20.804 0.000) 30.606 4.103 ( -16.532 13.827 0.000) 21.552 4.298 ( 4.905 5.065 0.000) 7.051 4.550 ( 4.229 8.343 0.000) 9.353 4.896 ( -9.096 7.882 0.000) 12.036 5.096 ( -9.128 -2.448 0.000) 9.450 5.444 ( -10.338 16.361 0.000) 19.354 6.952 ( -35.509 -1.101 0.000) 35.526 7.942 ( 9.858 -3.791 0.000) 10.562 8.009 ( 8.705 -5.160 0.000) 10.119 19.191 ( 8.296 3.949 0.000) 9.188 19.741 ( -5.686 -8.611 0.000) 10.319 20.452 ( -6.103 6.881 0.000) 9.198 20.592 ( -6.483 -5.027 0.000) 8.204 21.586 ( 2.603 3.360 0.000) 4.250 21.979 ( -8.981 -14.628 0.000) 17.165 22.068 ( 11.173 -1.711 0.000) 11.303 22.757 ( -9.573 -1.159 0.000) 9.643 23.018 ( 0.935 8.185 0.000) 8.238 23.387 ( -13.199 12.845 0.000) 18.418 26.319 ( 7.327 -24.704 0.000) 25.768 26.405 ( 4.732 -20.248 0.000) 20.794 28.849 ( -0.783 -4.531 0.000) 4.598 28.905 ( -2.668 -14.251 0.000) 14.498 30.105 ( 11.060 -26.710 0.000) 28.910 30.240 ( 9.108 -35.004 0.000) 36.169 30.645 ( 10.296 12.408 0.000) 16.124 31.278 ( -8.197 5.363 0.000) 9.796 32.102 ( 2.607 25.205 0.000) 25.340 32.236 ( 1.184 4.523 0.000) 4.675 32.517 ( -12.167 41.353 0.000) 43.106 32.521 ( -5.735 -0.823 0.000) 5.794 34.134 ( 11.939 -5.490 0.000) 13.141 34.737 ( -7.157 -9.081 0.000) 11.562 ======================= Grid point 13 (10/200) ======================= q-point: ( 0.44 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.052 ( 25.051 5.103 0.000) 25.566 3.079 ( 26.725 5.277 0.000) 27.241 3.602 ( -15.426 13.392 0.000) 20.428 3.709 ( -22.463 14.726 0.000) 26.860 4.543 ( 3.130 1.126 0.000) 3.326 4.554 ( -1.621 -1.191 0.000) 2.011 4.934 ( 9.730 18.266 0.000) 20.696 5.113 ( -2.734 16.290 0.000) 16.518 5.422 ( 25.616 5.889 0.000) 26.284 6.181 ( -42.818 2.314 0.000) 42.880 8.090 ( 4.755 -4.447 0.000) 6.511 8.115 ( 2.165 -4.837 0.000) 5.299 19.373 ( 10.417 3.118 0.000) 10.874 19.579 ( -10.338 -0.498 0.000) 10.350 20.411 ( 1.261 -0.517 0.000) 1.363 20.477 ( -5.109 -4.047 0.000) 6.518 21.671 ( 6.015 -3.709 0.000) 7.066 21.810 ( -8.260 -9.619 0.000) 12.679 22.301 ( 12.665 -2.008 0.000) 12.824 22.544 ( -12.192 -1.908 0.000) 12.341 23.061 ( 3.816 9.821 0.000) 10.536 23.177 ( -8.394 11.650 0.000) 14.359 26.430 ( 3.866 -25.097 0.000) 25.393 26.461 ( 0.749 -23.444 0.000) 23.456 28.842 ( 0.218 -5.772 0.000) 5.776 28.860 ( -1.705 -8.923 0.000) 9.085 30.269 ( 5.818 -26.219 0.000) 26.857 30.324 ( 0.343 -28.782 0.000) 28.784 30.865 ( 12.110 8.340 0.000) 14.704 31.092 ( -10.964 5.867 0.000) 12.435 32.163 ( 3.722 29.042 0.000) 29.280 32.233 ( -2.521 22.737 0.000) 22.877 32.383 ( -1.356 14.487 0.000) 14.551 32.423 ( -4.131 1.017 0.000) 4.254 34.364 ( 11.584 -6.617 0.000) 13.340 34.572 ( -9.817 -7.848 0.000) 12.569 ======================= Grid point 18 (11/200) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( 0.000 40.886 0.000) 40.886 1.706 ( 0.000 39.961 0.000) 39.961 2.760 ( 0.000 59.730 0.000) 59.730 4.478 ( 0.000 22.572 0.000) 22.572 4.910 ( 0.000 11.465 0.000) 11.465 5.133 ( 0.000 20.686 0.000) 20.686 5.877 ( 0.000 3.677 0.000) 3.677 5.979 ( 0.000 -3.946 0.000) 3.946 5.999 ( 0.000 22.183 0.000) 22.183 6.898 ( 0.000 -7.505 0.000) 7.505 7.196 ( 0.000 -7.549 0.000) 7.549 8.115 ( 0.000 -8.012 0.000) 8.012 19.060 ( 0.000 7.355 0.000) 7.355 19.597 ( 0.000 -1.600 0.000) 1.600 20.707 ( 0.000 -8.191 0.000) 8.191 21.213 ( 0.000 -1.248 0.000) 1.248 21.460 ( 0.000 -11.296 0.000) 11.296 21.830 ( 0.000 -24.514 0.000) 24.514 22.371 ( 0.000 20.660 0.000) 20.660 23.011 ( 0.000 -2.146 0.000) 2.146 23.064 ( 0.000 5.449 0.000) 5.449 24.246 ( 0.000 6.255 0.000) 6.255 25.424 ( 0.000 -30.235 0.000) 30.235 26.447 ( 0.000 -13.441 0.000) 13.441 27.293 ( 0.000 4.246 0.000) 4.246 28.828 ( 0.000 -4.088 0.000) 4.088 28.947 ( 0.000 -28.184 0.000) 28.184 29.170 ( 0.000 -7.552 0.000) 7.552 30.710 ( 0.000 18.878 0.000) 18.878 31.635 ( 0.000 8.775 0.000) 8.775 32.210 ( 0.000 1.103 0.000) 1.103 32.390 ( 0.000 12.345 0.000) 12.345 32.769 ( 0.000 2.323 0.000) 2.323 33.569 ( 0.000 -6.326 0.000) 6.326 34.301 ( 0.000 -6.237 0.000) 6.237 34.560 ( 0.000 -14.877 0.000) 14.877 ======================= Grid point 19 (12/200) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 11.136 35.017 0.000) 36.745 1.819 ( 17.841 35.842 0.000) 40.037 3.056 ( 27.727 53.672 0.000) 60.411 4.532 ( 5.319 22.966 0.000) 23.574 4.821 ( -8.997 11.098 0.000) 14.287 5.059 ( -7.684 19.046 0.000) 20.538 5.660 ( -18.247 4.630 0.000) 18.825 5.690 ( -18.515 0.339 0.000) 18.519 6.088 ( 0.202 19.582 0.000) 19.583 7.080 ( 14.696 -7.464 0.000) 16.483 7.352 ( 13.588 -9.129 0.000) 16.370 8.002 ( -11.180 -6.833 0.000) 13.103 19.089 ( 2.956 7.435 0.000) 8.001 19.592 ( -0.305 -2.811 0.000) 2.827 20.670 ( -3.687 -8.303 0.000) 9.085 21.001 ( -14.428 -1.901 0.000) 14.553 21.611 ( 9.702 -8.121 0.000) 12.652 21.798 ( -3.131 -23.905 0.000) 24.109 22.215 ( -13.216 24.583 0.000) 27.911 22.978 ( -3.471 -2.380 0.000) 4.209 23.128 ( 4.361 6.326 0.000) 7.684 24.155 ( -8.878 7.926 0.000) 11.902 25.458 ( 3.268 -32.364 0.000) 32.529 26.070 ( -19.050 -12.965 0.000) 23.043 27.916 ( 39.011 -15.072 0.000) 41.821 28.791 ( -1.884 -6.934 0.000) 7.185 29.070 ( 10.341 -24.853 0.000) 26.918 29.230 ( 6.807 -8.883 0.000) 11.191 30.739 ( 2.963 18.552 0.000) 18.787 31.618 ( -1.827 8.885 0.000) 9.070 32.217 ( 0.756 1.310 0.000) 1.512 32.410 ( 2.051 12.410 0.000) 12.578 32.726 ( -4.030 2.945 0.000) 4.991 33.631 ( 6.133 -6.650 0.000) 9.047 34.043 ( -21.584 7.269 0.000) 22.775 34.585 ( 0.394 -17.121 0.000) 17.126 ======================= Grid point 20 (13/200) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 24.717 22.833 0.000) 33.649 2.259 ( 26.092 26.606 0.000) 37.265 3.709 ( 37.311 43.498 0.000) 57.308 4.586 ( -14.356 9.253 0.000) 17.080 4.643 ( 2.840 23.289 0.000) 23.461 4.850 ( -11.702 13.600 0.000) 17.942 5.312 ( -15.249 9.886 0.000) 18.173 5.332 ( -17.438 -0.935 0.000) 17.463 6.028 ( -5.888 23.693 0.000) 24.414 7.282 ( -0.841 -7.644 0.000) 7.690 7.631 ( 13.900 -9.879 0.000) 17.053 7.768 ( -7.153 -4.109 0.000) 8.249 19.173 ( 5.715 7.517 0.000) 9.443 19.592 ( 0.335 -4.949 0.000) 4.960 20.574 ( -5.867 -8.302 0.000) 10.166 20.749 ( -11.473 0.438 0.000) 11.481 21.719 ( -4.741 -22.050 0.000) 22.554 21.789 ( 8.220 -6.985 0.000) 10.787 21.948 ( -12.454 21.460 0.000) 24.812 22.876 ( -7.114 -3.095 0.000) 7.758 23.192 ( 2.410 9.987 0.000) 10.274 23.934 ( -13.172 11.329 0.000) 17.373 25.539 ( 4.883 -36.634 0.000) 36.958 25.860 ( -4.561 -25.967 0.000) 26.365 28.446 ( 15.835 -17.865 0.000) 23.873 28.769 ( -0.588 -5.500 0.000) 5.532 29.303 ( 13.076 -25.247 0.000) 28.432 29.439 ( 13.516 -16.072 0.000) 20.999 30.822 ( 5.592 17.598 0.000) 18.465 31.560 ( -4.305 9.277 0.000) 10.228 32.240 ( 1.624 1.795 0.000) 2.420 32.467 ( 3.662 11.150 0.000) 11.736 32.634 ( -4.954 6.222 0.000) 7.953 33.605 ( -21.952 21.170 0.000) 30.497 33.786 ( 9.397 -7.663 0.000) 12.126 34.561 ( -2.782 -16.982 0.000) 17.208 ======================= Grid point 21 (14/200) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 28.921 12.562 0.000) 31.531 2.772 ( 25.865 18.044 0.000) 31.537 4.205 ( -6.613 24.477 0.000) 25.354 4.437 ( -18.039 15.757 0.000) 23.951 4.486 ( 19.710 14.941 0.000) 24.733 4.738 ( -7.039 11.569 0.000) 13.542 5.087 ( -2.473 3.643 0.000) 4.403 5.188 ( 4.416 19.888 0.000) 20.373 5.873 ( -9.866 24.941 0.000) 26.821 6.927 ( -29.888 -1.121 0.000) 29.909 7.835 ( 8.242 -6.374 0.000) 10.419 7.857 ( 9.158 -9.569 0.000) 13.245 19.304 ( 7.639 6.943 0.000) 10.323 19.596 ( -0.336 -5.020 0.000) 5.031 20.461 ( -5.380 -7.195 0.000) 8.984 20.553 ( -8.906 2.939 0.000) 9.379 21.629 ( -4.242 -18.756 0.000) 19.230 21.701 ( -9.145 6.751 0.000) 11.367 22.004 ( 10.809 -3.766 0.000) 11.446 22.705 ( -10.564 -4.089 0.000) 11.328 23.240 ( 3.009 12.931 0.000) 13.276 23.678 ( -12.597 14.247 0.000) 19.018 25.638 ( 5.139 -40.117 0.000) 40.445 25.820 ( -0.925 -35.220 0.000) 35.232 28.625 ( 5.131 -11.006 0.000) 12.143 28.758 ( -0.724 -4.117 0.000) 4.181 29.545 ( 11.352 -25.753 0.000) 28.144 29.670 ( 9.016 -22.374 0.000) 24.122 30.952 ( 7.772 16.033 0.000) 17.818 31.450 ( -7.034 10.183 0.000) 12.376 32.280 ( 2.541 2.150 0.000) 3.328 32.495 ( -3.220 -1.432 0.000) 3.524 32.603 ( 4.432 21.847 0.000) 22.292 33.228 ( -16.971 25.562 0.000) 30.683 33.980 ( 10.382 -9.292 0.000) 13.933 34.480 ( -5.510 -15.512 0.000) 16.461 ======================= Grid point 22 (15/200) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( 17.932 4.680 0.000) 18.532 3.195 ( 15.147 8.509 0.000) 17.373 3.996 ( -7.171 23.350 0.000) 24.426 4.094 ( -15.624 21.395 0.000) 26.492 4.588 ( -5.069 4.239 0.000) 6.608 4.592 ( -4.133 2.939 0.000) 5.072 5.381 ( 12.641 24.774 0.000) 27.812 5.481 ( 27.602 18.207 0.000) 33.066 5.682 ( -3.246 20.937 0.000) 21.187 6.266 ( -37.163 6.390 0.000) 37.708 7.961 ( 3.921 -7.925 0.000) 8.842 7.974 ( 2.740 -8.896 0.000) 9.308 19.453 ( 7.227 4.208 0.000) 8.363 19.561 ( -3.645 -1.192 0.000) 3.835 20.388 ( -1.548 -3.650 0.000) 3.965 20.417 ( -4.618 1.529 0.000) 4.865 21.569 ( -1.621 -13.403 0.000) 13.500 21.581 ( -3.182 -4.816 0.000) 5.772 22.232 ( 12.527 -4.697 0.000) 13.379 22.478 ( -12.626 -4.728 0.000) 13.482 23.321 ( 5.680 14.810 0.000) 15.862 23.465 ( -9.310 15.447 0.000) 18.036 25.730 ( 4.197 -41.433 0.000) 41.645 25.793 ( -2.267 -39.989 0.000) 40.053 28.695 ( 2.696 -6.292 0.000) 6.845 28.736 ( -1.632 -4.161 0.000) 4.470 29.718 ( 6.073 -25.570 0.000) 26.281 29.768 ( 1.095 -24.656 0.000) 24.680 31.117 ( 9.129 13.943 0.000) 16.666 31.294 ( -8.918 11.797 0.000) 14.789 32.338 ( 3.451 1.932 0.000) 3.955 32.413 ( -4.287 0.802 0.000) 4.361 32.741 ( 8.966 23.102 0.000) 24.781 32.946 ( -12.451 24.978 0.000) 27.909 34.176 ( 9.782 -11.331 0.000) 14.969 34.349 ( -7.995 -13.505 0.000) 15.694 ======================= Grid point 27 (16/200) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 0.000 39.215 0.000) 39.215 2.487 ( 0.000 36.548 0.000) 36.548 3.790 ( 0.000 39.682 0.000) 39.682 4.950 ( 0.000 22.292 0.000) 22.292 5.265 ( 0.000 23.287 0.000) 23.287 5.502 ( 0.000 13.491 0.000) 13.491 5.898 ( 0.000 -2.570 0.000) 2.570 6.049 ( 0.000 14.584 0.000) 14.584 6.419 ( 0.000 14.504 0.000) 14.504 6.727 ( 0.000 -8.771 0.000) 8.771 7.076 ( 0.000 -0.640 0.000) 0.640 7.925 ( 0.000 -10.428 0.000) 10.428 19.252 ( 0.000 11.577 0.000) 11.577 19.572 ( 0.000 -0.544 0.000) 0.544 20.521 ( 0.000 -9.678 0.000) 9.678 21.190 ( 0.000 -14.863 0.000) 14.863 21.262 ( 0.000 6.296 0.000) 6.296 21.360 ( 0.000 -21.176 0.000) 21.176 22.816 ( 0.000 22.751 0.000) 22.751 22.928 ( 0.000 -6.702 0.000) 6.702 23.196 ( 0.000 7.193 0.000) 7.193 24.224 ( 0.000 -8.466 0.000) 8.466 24.771 ( 0.000 -32.419 0.000) 32.419 26.103 ( 0.000 -20.250 0.000) 20.250 27.383 ( 0.000 4.430 0.000) 4.430 28.483 ( 0.000 -16.307 0.000) 16.307 28.754 ( 0.000 -3.348 0.000) 3.348 28.981 ( 0.000 -10.997 0.000) 10.997 31.069 ( 0.000 15.698 0.000) 15.698 31.845 ( 0.000 11.691 0.000) 11.691 32.242 ( 0.000 2.060 0.000) 2.060 32.432 ( 0.000 -5.303 0.000) 5.303 32.949 ( 0.000 12.175 0.000) 12.175 33.435 ( 0.000 -6.383 0.000) 6.383 34.146 ( 0.000 -8.924 0.000) 8.924 34.212 ( 0.000 -18.835 0.000) 18.835 ======================= Grid point 28 (17/200) ======================= q-point: ( 0.11 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 2.823 33.342 0.000) 33.462 2.565 ( 10.930 36.574 0.000) 38.172 3.995 ( 19.435 36.134 0.000) 41.029 5.012 ( 6.060 22.585 0.000) 23.384 5.151 ( -11.802 19.542 0.000) 22.829 5.368 ( -13.537 10.069 0.000) 16.871 5.680 ( -15.456 3.231 0.000) 15.790 5.867 ( -13.890 15.899 0.000) 21.111 6.546 ( 6.122 21.370 0.000) 22.229 6.918 ( 14.477 -7.681 0.000) 16.388 7.159 ( 9.004 -7.937 0.000) 12.003 7.842 ( -7.998 -8.551 0.000) 11.708 19.280 ( 2.846 11.360 0.000) 11.711 19.565 ( -0.707 -0.093 0.000) 0.713 20.484 ( -3.586 -9.482 0.000) 10.137 20.972 ( -12.969 -2.004 0.000) 13.123 21.335 ( -2.430 -21.170 0.000) 21.309 21.434 ( 9.251 -6.995 0.000) 11.598 22.706 ( -11.249 23.779 0.000) 26.306 22.889 ( -4.085 -7.004 0.000) 8.108 23.272 ( 6.680 7.658 0.000) 10.162 24.186 ( -3.948 -5.408 0.000) 6.696 24.761 ( -0.797 -34.184 0.000) 34.193 25.738 ( -26.857 -19.505 0.000) 33.193 27.756 ( 27.640 -3.205 0.000) 27.825 28.529 ( 4.252 -14.870 0.000) 15.466 28.796 ( 4.459 -5.100 0.000) 6.774 29.020 ( 4.130 -11.780 0.000) 12.483 31.091 ( 2.263 15.370 0.000) 15.536 31.825 ( -2.107 11.144 0.000) 11.341 32.257 ( 1.453 2.666 0.000) 3.036 32.441 ( 0.841 -5.393 0.000) 5.458 32.928 ( -1.643 12.592 0.000) 12.699 33.491 ( 5.419 -6.614 0.000) 8.550 34.053 ( -9.021 -4.695 0.000) 10.170 34.208 ( -0.540 -19.272 0.000) 19.279 ======================= Grid point 29 (18/200) ======================= q-point: ( 0.22 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( 12.513 24.433 0.000) 27.450 2.846 ( 17.161 30.037 0.000) 34.593 4.443 ( 23.656 24.595 0.000) 34.125 4.850 ( -16.755 12.644 0.000) 20.990 5.001 ( -18.264 6.808 0.000) 19.492 5.176 ( 4.228 23.292 0.000) 23.673 5.431 ( -9.332 17.375 0.000) 19.722 5.616 ( -10.233 17.387 0.000) 20.175 6.559 ( -4.143 27.241 0.000) 27.554 7.122 ( 2.451 -7.096 0.000) 7.508 7.393 ( 13.443 -13.353 0.000) 18.947 7.677 ( -5.744 -4.473 0.000) 7.280 19.357 ( 4.904 10.307 0.000) 11.414 19.550 ( -0.689 0.210 0.000) 0.720 20.399 ( -4.550 -8.125 0.000) 9.312 20.748 ( -9.877 0.034 0.000) 9.877 21.279 ( -2.951 -20.797 0.000) 21.005 21.602 ( 8.117 -10.308 0.000) 13.120 22.401 ( -19.285 22.486 0.000) 29.623 22.771 ( -8.111 -7.729 0.000) 11.203 23.406 ( 6.434 10.593 0.000) 12.394 24.075 ( -7.263 1.652 0.000) 7.448 24.754 ( 0.399 -38.170 0.000) 38.172 25.298 ( -17.281 -28.507 0.000) 33.336 28.214 ( 18.250 -6.560 0.000) 19.393 28.615 ( 3.965 -9.882 0.000) 10.648 28.927 ( 8.837 -10.786 0.000) 13.944 29.135 ( 7.339 -14.661 0.000) 16.396 31.155 ( 4.330 14.497 0.000) 15.130 31.763 ( -4.295 10.247 0.000) 11.110 32.294 ( 2.270 3.637 0.000) 4.287 32.456 ( 0.501 -4.975 0.000) 5.000 32.911 ( 0.548 13.508 0.000) 13.519 33.623 ( 7.802 -7.735 0.000) 10.987 33.829 ( -13.425 2.386 0.000) 13.635 34.187 ( -1.681 -18.592 0.000) 18.668 ======================= Grid point 30 (19/200) ======================= q-point: ( 0.33 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.959 ( 18.697 13.801 0.000) 23.239 3.179 ( 15.787 21.030 0.000) 26.296 4.527 ( -10.057 8.530 0.000) 13.187 4.655 ( -14.688 7.235 0.000) 16.373 4.784 ( 1.113 9.990 0.000) 10.052 5.074 ( -15.620 18.887 0.000) 24.509 5.443 ( 15.328 32.440 0.000) 35.878 5.629 ( 11.044 21.584 0.000) 24.245 6.417 ( -10.111 27.302 0.000) 29.114 6.926 ( -19.941 1.740 0.000) 20.016 7.626 ( 10.033 -12.881 0.000) 16.327 7.699 ( 5.310 -6.448 0.000) 8.353 19.454 ( 4.665 7.119 0.000) 8.511 19.541 ( -0.258 -0.540 0.000) 0.599 20.337 ( -1.155 -3.763 0.000) 3.936 20.591 ( -6.658 1.301 0.000) 6.784 21.240 ( -0.536 -19.131 0.000) 19.138 21.699 ( -2.377 -8.414 0.000) 8.743 22.065 ( -9.477 11.399 0.000) 14.823 22.582 ( -11.256 -8.260 0.000) 13.962 23.517 ( 5.420 13.582 0.000) 14.624 23.920 ( -8.458 8.424 0.000) 11.938 24.781 ( 2.407 -41.667 0.000) 41.736 25.059 ( -8.528 -37.881 0.000) 38.829 28.471 ( 9.316 -4.832 0.000) 10.495 28.668 ( 1.366 -5.300 0.000) 5.473 29.111 ( 9.410 -16.088 0.000) 18.637 29.268 ( 5.421 -17.958 0.000) 18.759 31.256 ( 6.083 13.285 0.000) 14.612 31.661 ( -6.228 10.017 0.000) 11.795 32.340 ( 2.407 3.773 0.000) 4.475 32.453 ( -0.911 -2.721 0.000) 2.869 32.964 ( 5.039 13.292 0.000) 14.215 33.561 ( -13.815 7.736 0.000) 15.834 33.779 ( 8.146 -9.688 0.000) 12.658 34.139 ( -3.432 -16.916 0.000) 17.261 ======================= Grid point 31 (20/200) ======================= q-point: ( 0.44 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.286 ( 12.804 6.170 0.000) 14.213 3.383 ( 3.504 9.749 0.000) 10.360 4.456 ( 3.629 17.547 0.000) 17.918 4.499 ( -0.988 15.761 0.000) 15.792 4.656 ( -8.813 6.136 0.000) 10.738 4.729 ( -16.760 10.681 0.000) 19.874 5.898 ( 15.095 24.749 0.000) 28.989 5.912 ( 28.201 25.010 0.000) 37.693 6.185 ( -13.466 25.849 0.000) 29.146 6.460 ( -27.028 13.009 0.000) 29.996 7.764 ( 4.069 -11.252 0.000) 11.965 7.782 ( 2.128 -9.199 0.000) 9.441 19.520 ( 1.951 1.950 0.000) 2.758 19.537 ( -0.249 -0.846 0.000) 0.882 20.369 ( 4.238 2.416 0.000) 4.879 20.474 ( -5.887 3.605 0.000) 6.904 21.283 ( 5.717 -14.306 0.000) 15.406 21.476 ( -13.907 -5.538 0.000) 14.969 22.126 ( 10.085 -4.941 0.000) 11.230 22.350 ( -12.335 -7.807 0.000) 14.598 23.627 ( 6.221 14.355 0.000) 15.645 23.762 ( -7.699 12.701 0.000) 14.852 24.844 ( 3.953 -43.337 0.000) 43.517 24.932 ( -5.275 -42.498 0.000) 42.824 28.603 ( 4.862 -3.223 0.000) 5.833 28.666 ( -1.641 -3.256 0.000) 3.646 29.263 ( 5.783 -18.746 0.000) 19.618 29.321 ( -0.115 -19.334 0.000) 19.334 31.385 ( 7.240 11.918 0.000) 13.945 31.528 ( -7.337 10.681 0.000) 12.958 32.385 ( 2.234 2.668 0.000) 3.480 32.425 ( -1.864 0.364 0.000) 1.899 33.103 ( 9.126 12.154 0.000) 15.199 33.309 ( -12.078 10.627 0.000) 16.088 33.929 ( 7.227 -12.104 0.000) 14.098 34.053 ( -5.478 -14.633 0.000) 15.625 ======================= Grid point 36 (21/200) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( 0.000 32.340 0.000) 32.340 3.215 ( 0.000 35.091 0.000) 35.091 4.383 ( 0.000 20.983 0.000) 20.983 5.320 ( 0.000 12.397 0.000) 12.397 5.558 ( 0.000 -2.231 0.000) 2.231 5.695 ( 0.000 7.344 0.000) 7.344 6.148 ( 0.000 32.029 0.000) 32.029 6.425 ( 0.000 -10.897 0.000) 10.897 6.434 ( 0.000 20.884 0.000) 20.884 6.568 ( 0.000 -6.138 0.000) 6.138 7.299 ( 0.000 18.767 0.000) 18.767 7.705 ( 0.000 -10.674 0.000) 10.674 19.534 ( 0.000 16.139 0.000) 16.139 19.584 ( 0.000 1.890 0.000) 1.890 20.330 ( 0.000 -8.637 0.000) 8.637 20.870 ( 0.000 -16.204 0.000) 16.204 20.975 ( 0.000 -16.677 0.000) 16.677 21.473 ( 0.000 14.506 0.000) 14.506 22.702 ( 0.000 -16.401 0.000) 16.401 23.280 ( 0.000 22.388 0.000) 22.388 23.339 ( 0.000 6.301 0.000) 6.301 23.943 ( 0.000 -17.194 0.000) 17.194 24.166 ( 0.000 -25.639 0.000) 25.639 25.634 ( 0.000 -25.323 0.000) 25.323 27.470 ( 0.000 4.185 0.000) 4.185 28.283 ( 0.000 -4.134 0.000) 4.134 28.685 ( 0.000 -3.580 0.000) 3.580 28.727 ( 0.000 -13.722 0.000) 13.722 31.335 ( 0.000 10.386 0.000) 10.386 32.101 ( 0.000 13.261 0.000) 13.261 32.276 ( 0.000 -9.121 0.000) 9.121 32.296 ( 0.000 3.284 0.000) 3.284 33.167 ( 0.000 8.575 0.000) 8.575 33.327 ( 0.000 -3.880 0.000) 3.880 33.816 ( 0.000 -19.483 0.000) 19.483 33.941 ( 0.000 -11.098 0.000) 11.098 ======================= Grid point 37 (22/200) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.141 ( -3.328 29.381 0.000) 29.569 3.282 ( 6.685 33.458 0.000) 34.119 4.537 ( 13.916 19.813 0.000) 24.211 5.302 ( -20.961 -4.610 0.000) 21.462 5.358 ( -0.033 8.879 0.000) 8.879 5.553 ( -9.066 10.752 0.000) 14.064 6.110 ( -2.357 35.597 0.000) 35.675 6.194 ( -14.894 12.538 0.000) 19.469 6.676 ( 19.461 -9.825 0.000) 21.801 6.826 ( 15.111 0.860 0.000) 15.135 7.258 ( -4.232 18.003 0.000) 18.494 7.669 ( -3.440 -8.010 0.000) 8.718 19.548 ( 1.317 14.747 0.000) 14.806 19.587 ( 0.198 2.358 0.000) 2.367 20.307 ( -1.947 -7.161 0.000) 7.421 20.836 ( -3.802 -11.754 0.000) 12.354 20.944 ( -2.923 -17.236 0.000) 17.482 21.444 ( -1.886 8.857 0.000) 9.056 22.660 ( -4.322 -16.237 0.000) 16.802 23.178 ( -10.689 22.265 0.000) 24.698 23.423 ( 7.594 6.536 0.000) 10.020 23.931 ( -1.082 -18.919 0.000) 18.950 24.165 ( -0.324 -22.216 0.000) 22.219 25.290 ( -29.273 -23.943 0.000) 37.818 27.730 ( 21.334 0.048 0.000) 21.334 28.329 ( 4.463 -4.794 0.000) 6.550 28.716 ( 3.072 -3.601 0.000) 4.733 28.755 ( 2.902 -13.984 0.000) 14.282 31.351 ( 1.721 10.200 0.000) 10.344 32.055 ( -4.115 10.976 0.000) 11.722 32.290 ( 1.425 -8.763 0.000) 8.879 32.334 ( 3.127 5.185 0.000) 6.055 33.140 ( -1.842 7.683 0.000) 7.900 33.384 ( 4.974 -3.488 0.000) 6.075 33.785 ( -3.237 -19.302 0.000) 19.571 33.928 ( -1.250 -9.468 0.000) 9.550 ======================= Grid point 38 (23/200) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 2.608 22.389 0.000) 22.540 3.449 ( 9.590 28.598 0.000) 30.163 4.773 ( -0.653 7.159 0.000) 7.189 4.947 ( -5.051 4.362 0.000) 6.674 5.102 ( -18.865 4.364 0.000) 19.363 5.617 ( 6.541 18.180 0.000) 19.321 5.898 ( -13.027 8.006 0.000) 15.290 6.085 ( 0.792 39.058 0.000) 39.066 7.043 ( 15.523 1.018 0.000) 15.556 7.049 ( 6.319 1.409 0.000) 6.474 7.142 ( -5.873 7.209 0.000) 9.298 7.599 ( -2.654 -2.861 0.000) 3.902 19.572 ( 0.667 9.892 0.000) 9.915 19.586 ( -0.437 3.188 0.000) 3.218 20.285 ( 0.599 -1.788 0.000) 1.885 20.726 ( -6.854 -3.745 0.000) 7.811 20.882 ( -2.933 -18.168 0.000) 18.403 21.444 ( 2.166 -2.596 0.000) 3.381 22.539 ( -8.148 -15.605 0.000) 17.604 22.854 ( -22.755 21.909 0.000) 31.588 23.591 ( 8.935 6.253 0.000) 10.906 23.914 ( -0.449 -20.876 0.000) 20.881 24.146 ( -1.759 -16.211 0.000) 16.306 24.724 ( -26.028 -26.963 0.000) 37.476 28.127 ( 17.834 -2.785 0.000) 18.050 28.438 ( 6.253 -5.907 0.000) 8.602 28.795 ( 4.818 -4.276 0.000) 6.442 28.834 ( 4.986 -14.791 0.000) 15.609 31.401 ( 3.444 9.730 0.000) 10.321 31.960 ( -5.531 8.864 0.000) 10.448 32.328 ( 2.370 -7.535 0.000) 7.899 32.393 ( 2.674 6.053 0.000) 6.617 33.120 ( 0.099 7.076 0.000) 7.076 33.494 ( 6.145 -4.555 0.000) 7.649 33.691 ( -6.393 -15.402 0.000) 16.676 33.898 ( -1.728 -8.636 0.000) 8.807 ======================= Grid point 39 (24/200) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 9.192 14.126 0.000) 16.853 3.601 ( 4.581 20.005 0.000) 20.523 4.560 ( -8.665 -3.560 0.000) 9.368 4.793 ( -11.253 6.544 0.000) 13.017 5.039 ( 2.166 15.721 0.000) 15.869 5.401 ( -21.018 12.050 0.000) 24.227 5.998 ( 15.737 13.324 0.000) 20.620 6.189 ( 10.675 37.194 0.000) 38.696 6.926 ( -12.433 19.743 0.000) 23.332 7.027 ( -8.043 8.637 0.000) 11.802 7.359 ( 12.859 -11.145 0.000) 17.016 7.598 ( 1.886 -2.892 0.000) 3.453 19.564 ( -1.304 3.353 0.000) 3.598 19.567 ( -1.421 3.042 0.000) 3.358 20.353 ( 6.103 5.734 0.000) 8.374 20.605 ( -5.141 -0.629 0.000) 5.180 20.862 ( 2.058 -17.633 0.000) 17.753 21.495 ( 1.208 -8.835 0.000) 8.918 22.357 ( -10.307 -14.048 0.000) 17.424 22.357 ( -25.511 15.598 0.000) 29.902 23.748 ( 7.195 7.104 0.000) 10.111 23.918 ( 0.857 -18.545 0.000) 18.565 24.099 ( -2.873 -14.141 0.000) 14.430 24.334 ( -14.645 -31.336 0.000) 34.589 28.398 ( 10.451 -2.862 0.000) 10.835 28.545 ( 4.287 -5.773 0.000) 7.191 28.890 ( 4.767 -6.747 0.000) 8.261 28.930 ( 4.311 -15.183 0.000) 15.783 31.483 ( 5.042 9.127 0.000) 10.427 31.845 ( -6.353 8.020 0.000) 10.231 32.376 ( 2.442 -5.134 0.000) 5.686 32.430 ( 1.134 4.749 0.000) 4.882 33.151 ( 3.201 5.580 0.000) 6.433 33.547 ( -8.235 -8.627 0.000) 11.926 33.612 ( 5.969 -6.281 0.000) 8.664 33.860 ( -2.389 -9.215 0.000) 9.519 ======================= Grid point 40 (25/200) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 9.674 8.650 0.000) 12.977 3.590 ( -5.314 10.613 0.000) 11.869 4.537 ( 5.918 -2.912 0.000) 6.596 4.672 ( -4.344 2.843 0.000) 5.192 4.997 ( -4.190 20.872 0.000) 21.289 5.037 ( -12.612 17.393 0.000) 21.484 6.326 ( 17.333 15.576 0.000) 23.304 6.467 ( 16.361 27.950 0.000) 32.386 6.653 ( -15.265 18.102 0.000) 23.680 6.791 ( -15.272 18.872 0.000) 24.277 7.548 ( 6.696 -8.360 0.000) 10.711 7.619 ( -0.779 -5.746 0.000) 5.798 19.539 ( -0.820 0.629 0.000) 1.033 19.541 ( -0.977 1.527 0.000) 1.813 20.468 ( 4.525 5.226 0.000) 6.912 20.531 ( -2.884 0.908 0.000) 3.023 21.016 ( 14.595 -10.387 0.000) 17.914 21.360 ( -16.690 -5.213 0.000) 17.486 22.062 ( -2.148 -1.034 0.000) 2.384 22.161 ( -9.196 -10.663 0.000) 14.081 23.867 ( 5.074 8.091 0.000) 9.550 23.930 ( -0.760 -1.584 0.000) 1.757 24.059 ( 0.043 -27.554 0.000) 27.554 24.131 ( -7.052 -34.619 0.000) 35.330 28.543 ( 4.825 -3.063 0.000) 5.715 28.589 ( 0.024 -4.292 0.000) 4.292 28.965 ( 2.666 -10.570 0.000) 10.901 28.983 ( 0.966 -13.772 0.000) 13.806 31.593 ( 6.215 8.503 0.000) 10.532 31.718 ( -6.664 8.028 0.000) 10.434 32.416 ( 1.666 -1.701 0.000) 2.381 32.437 ( -0.411 1.908 0.000) 1.952 33.243 ( 6.288 2.418 0.000) 6.737 33.386 ( -8.186 -2.368 0.000) 8.521 33.719 ( 4.992 -7.939 0.000) 9.378 33.802 ( -3.613 -9.060 0.000) 9.754 ======================= Grid point 45 (26/200) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.801 ( 0.000 27.815 0.000) 27.815 3.875 ( 0.000 29.708 0.000) 29.708 4.742 ( 0.000 15.771 0.000) 15.771 5.391 ( 0.000 -11.474 0.000) 11.474 5.409 ( 0.000 -3.577 0.000) 3.577 5.849 ( 0.000 8.251 0.000) 8.251 6.127 ( 0.000 -16.888 0.000) 16.888 6.488 ( 0.000 -2.524 0.000) 2.524 6.835 ( 0.000 17.653 0.000) 17.653 6.870 ( 0.000 34.269 0.000) 34.269 7.512 ( 0.000 -7.756 0.000) 7.756 7.664 ( 0.000 14.969 0.000) 14.969 19.654 ( 0.000 4.992 0.000) 4.992 19.906 ( 0.000 20.132 0.000) 20.132 20.186 ( 0.000 -5.092 0.000) 5.092 20.543 ( 0.000 -15.657 0.000) 15.657 20.678 ( 0.000 -12.372 0.000) 12.372 21.848 ( 0.000 22.035 0.000) 22.035 22.251 ( 0.000 -27.185 0.000) 27.185 23.419 ( 0.000 0.373 0.000) 0.373 23.606 ( 0.000 -14.283 0.000) 14.283 23.710 ( 0.000 19.402 0.000) 19.402 23.753 ( 0.000 -15.273 0.000) 15.273 25.103 ( 0.000 -25.826 0.000) 25.826 27.560 ( 0.000 4.891 0.000) 4.891 28.271 ( 0.000 2.000 0.000) 2.000 28.432 ( 0.000 -14.993 0.000) 14.993 28.606 ( 0.000 -4.175 0.000) 4.175 31.500 ( 0.000 6.295 0.000) 6.295 32.080 ( 0.000 -9.731 0.000) 9.731 32.373 ( 0.000 13.048 0.000) 13.048 32.378 ( 0.000 4.780 0.000) 4.780 33.283 ( 0.000 -0.501 0.000) 0.501 33.294 ( 0.000 4.048 0.000) 4.048 33.442 ( 0.000 -16.564 0.000) 16.564 33.699 ( 0.000 -12.552 0.000) 12.552 ======================= Grid point 46 (27/200) ======================= q-point: ( 0.11 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.692 ( -8.771 24.773 0.000) 26.280 3.916 ( 3.906 28.715 0.000) 28.980 4.889 ( 10.789 14.994 0.000) 18.473 5.138 ( -17.824 -9.165 0.000) 20.042 5.404 ( -3.899 -3.360 0.000) 5.147 5.759 ( -4.012 8.466 0.000) 9.369 6.311 ( -15.335 0.371 0.000) 15.340 6.372 ( 19.045 -16.853 0.000) 25.431 6.858 ( -0.968 34.052 0.000) 34.066 6.986 ( 11.499 12.479 0.000) 16.969 7.535 ( 1.910 -4.897 0.000) 5.256 7.626 ( -3.776 15.317 0.000) 15.775 19.664 ( 0.890 5.240 0.000) 5.315 19.846 ( -5.479 12.463 0.000) 13.614 20.242 ( 5.208 2.784 0.000) 5.906 20.553 ( 0.760 -14.860 0.000) 14.879 20.631 ( -4.369 -13.326 0.000) 14.024 21.750 ( -9.066 20.129 0.000) 22.076 22.223 ( -2.990 -26.004 0.000) 26.175 23.467 ( 4.086 -0.720 0.000) 4.149 23.561 ( -3.308 -14.359 0.000) 14.735 23.625 ( -9.221 18.276 0.000) 20.471 23.806 ( 4.143 -14.794 0.000) 15.363 24.803 ( -26.803 -22.477 0.000) 34.981 27.749 ( 16.643 1.888 0.000) 16.750 28.305 ( 3.314 1.613 0.000) 3.686 28.462 ( 3.048 -14.524 0.000) 14.841 28.639 ( 3.184 -4.038 0.000) 5.142 31.515 ( 1.555 6.310 0.000) 6.499 32.100 ( 2.008 -9.578 0.000) 9.786 32.253 ( -6.597 8.333 0.000) 10.629 32.475 ( 4.048 8.314 0.000) 9.247 33.241 ( -1.798 2.861 0.000) 3.379 33.355 ( 3.845 0.214 0.000) 3.851 33.416 ( -2.275 -16.015 0.000) 16.176 33.714 ( 1.136 -11.442 0.000) 11.498 ======================= Grid point 47 (28/200) ======================= q-point: ( 0.22 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.549 ( -4.702 19.352 0.000) 19.915 3.997 ( 3.268 25.156 0.000) 25.367 4.701 ( -17.993 -8.672 0.000) 19.974 5.177 ( -16.082 2.140 0.000) 16.224 5.208 ( 12.842 16.748 0.000) 21.104 5.855 ( 11.886 2.802 0.000) 12.211 5.954 ( -20.512 1.626 0.000) 20.577 6.718 ( 14.545 -14.639 0.000) 20.637 6.852 ( 1.373 30.064 0.000) 30.095 7.185 ( 7.880 10.417 0.000) 13.061 7.529 ( -5.713 16.456 0.000) 17.419 7.569 ( 1.503 -0.125 0.000) 1.508 19.678 ( 0.246 5.851 0.000) 5.856 19.723 ( -6.601 5.020 0.000) 8.293 20.373 ( 8.011 9.595 0.000) 12.500 20.544 ( -3.408 -13.963 0.000) 14.373 20.558 ( -0.660 -11.989 0.000) 12.007 21.560 ( -9.087 13.471 0.000) 16.249 22.138 ( -5.661 -22.992 0.000) 23.679 23.275 ( -26.784 17.737 0.000) 32.124 23.506 ( -2.191 -14.721 0.000) 14.884 23.566 ( 3.663 -10.485 0.000) 11.107 23.883 ( 3.420 -13.157 0.000) 13.594 24.284 ( -22.065 -13.553 0.000) 25.895 28.087 ( 16.411 -1.179 0.000) 16.454 28.387 ( 4.823 0.545 0.000) 4.854 28.544 ( 5.333 -13.343 0.000) 14.369 28.715 ( 4.220 -3.937 0.000) 5.771 31.560 ( 3.187 6.351 0.000) 7.105 32.124 ( -6.745 7.421 0.000) 10.028 32.156 ( 3.726 -9.065 0.000) 9.801 32.522 ( 0.678 5.614 0.000) 5.654 33.220 ( -0.365 3.490 0.000) 3.509 33.372 ( -2.023 -13.330 0.000) 13.483 33.435 ( 4.310 -1.799 0.000) 4.670 33.727 ( -0.041 -9.194 0.000) 9.195 ======================= Grid point 48 (29/200) ======================= q-point: ( 0.33 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.530 ( 2.623 13.830 0.000) 14.077 3.987 ( -5.269 17.993 0.000) 18.749 4.442 ( -7.480 -7.417 0.000) 10.533 4.898 ( -12.174 2.608 0.000) 12.450 5.391 ( 5.163 18.260 0.000) 18.976 5.572 ( -16.673 6.130 0.000) 17.765 6.145 ( 16.888 1.262 0.000) 16.935 6.856 ( 2.890 12.655 0.000) 12.981 6.941 ( 3.208 2.158 0.000) 3.867 7.259 ( -0.449 12.903 0.000) 12.911 7.455 ( -0.182 14.521 0.000) 14.522 7.593 ( 0.829 2.046 0.000) 2.208 19.615 ( -4.151 2.679 0.000) 4.941 19.662 ( -2.000 6.236 0.000) 6.549 20.442 ( -0.910 -9.253 0.000) 9.298 20.521 ( -2.843 -8.235 0.000) 8.712 20.638 ( 13.786 6.942 0.000) 15.436 21.432 ( -4.454 3.952 0.000) 5.955 22.016 ( -6.413 -18.723 0.000) 19.791 22.631 ( -35.952 8.101 0.000) 36.854 23.483 ( -0.100 -15.659 0.000) 15.659 23.601 ( -0.455 -17.733 0.000) 17.739 23.932 ( 1.624 -10.085 0.000) 10.215 24.014 ( -7.092 -1.667 0.000) 7.286 28.346 ( 10.140 -2.172 0.000) 10.370 28.474 ( 3.672 -0.879 0.000) 3.776 28.657 ( 6.018 -11.382 0.000) 12.875 28.785 ( 2.671 -4.448 0.000) 5.189 31.637 ( 4.744 6.392 0.000) 7.960 31.993 ( -6.794 6.787 0.000) 9.603 32.240 ( 4.850 -8.013 0.000) 9.367 32.502 ( -2.562 1.189 0.000) 2.825 33.227 ( 1.105 2.901 0.000) 3.105 33.338 ( -1.695 -8.434 0.000) 8.602 33.518 ( 4.291 -3.527 0.000) 5.555 33.709 ( -1.732 -7.185 0.000) 7.391 ======================= Grid point 49 (30/200) ======================= q-point: ( 0.44 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 7.826 10.649 0.000) 13.216 3.818 ( -10.489 11.865 0.000) 15.837 4.439 ( 6.942 -6.325 0.000) 9.392 4.658 ( -13.463 -3.888 0.000) 14.013 5.390 ( -2.026 17.142 0.000) 17.261 5.413 ( -1.812 19.848 0.000) 19.931 6.477 ( 16.925 -0.970 0.000) 16.952 6.768 ( -12.038 -4.783 0.000) 12.954 7.034 ( 7.701 23.790 0.000) 25.005 7.183 ( -6.721 18.409 0.000) 19.598 7.518 ( 4.748 5.694 0.000) 7.414 7.587 ( -1.885 2.550 0.000) 3.171 19.575 ( 0.125 3.508 0.000) 3.510 19.610 ( -2.883 5.354 0.000) 6.081 20.437 ( 0.663 -9.552 0.000) 9.575 20.467 ( -2.380 -7.596 0.000) 7.960 20.977 ( 20.089 7.115 0.000) 21.312 21.313 ( -11.242 1.600 0.000) 11.355 21.922 ( -1.933 -12.621 0.000) 12.769 22.055 ( -19.327 -1.428 0.000) 19.380 23.503 ( 2.126 -17.142 0.000) 17.273 23.558 ( -3.214 -18.983 0.000) 19.253 23.948 ( 0.199 -5.825 0.000) 5.828 23.952 ( -0.741 -1.197 0.000) 1.408 28.481 ( 4.168 -2.515 0.000) 4.867 28.516 ( 0.419 -2.083 0.000) 2.125 28.760 ( 4.136 -8.518 0.000) 9.469 28.806 ( -0.608 -5.967 0.000) 5.998 31.741 ( 5.941 6.418 0.000) 8.745 31.863 ( -6.605 6.496 0.000) 9.264 32.338 ( 5.137 -6.109 0.000) 7.982 32.432 ( -4.457 -3.043 0.000) 5.396 33.259 ( 2.090 0.735 0.000) 2.215 33.301 ( -2.113 -3.218 0.000) 3.849 33.597 ( 3.810 -4.843 0.000) 6.163 33.663 ( -2.974 -5.882 0.000) 6.591 ======================= Grid point 54 (31/200) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.321 ( 0.000 23.357 0.000) 23.357 4.425 ( 0.000 24.389 0.000) 24.389 5.037 ( 0.000 6.849 0.000) 6.849 5.141 ( 0.000 -6.264 0.000) 6.264 5.217 ( 0.000 -13.980 0.000) 13.980 5.768 ( 0.000 -17.890 0.000) 17.890 6.035 ( 0.000 9.922 0.000) 9.922 6.409 ( 0.000 -6.149 0.000) 6.149 7.134 ( 0.000 11.502 0.000) 11.502 7.396 ( 0.000 -4.138 0.000) 4.138 7.466 ( 0.000 23.444 0.000) 23.444 7.862 ( 0.000 3.894 0.000) 3.894 19.788 ( 0.000 8.192 0.000) 8.192 20.135 ( 0.000 0.173 0.000) 0.173 20.242 ( 0.000 -13.817 0.000) 13.817 20.260 ( 0.000 6.064 0.000) 6.064 20.561 ( 0.000 9.459 0.000) 9.459 21.646 ( 0.000 -31.013 0.000) 31.013 22.352 ( 0.000 26.779 0.000) 26.779 23.300 ( 0.000 -13.094 0.000) 13.094 23.404 ( 0.000 -5.155 0.000) 5.155 23.514 ( 0.000 -8.820 0.000) 8.820 24.059 ( 0.000 14.836 0.000) 14.836 24.637 ( 0.000 -18.854 0.000) 18.854 27.682 ( 0.000 7.438 0.000) 7.438 28.131 ( 0.000 -14.132 0.000) 14.132 28.337 ( 0.000 3.986 0.000) 3.986 28.517 ( 0.000 -4.536 0.000) 4.536 31.613 ( 0.000 5.324 0.000) 5.324 31.891 ( 0.000 -8.686 0.000) 8.686 32.491 ( 0.000 6.293 0.000) 6.293 32.600 ( 0.000 7.567 0.000) 7.567 33.181 ( 0.000 -7.379 0.000) 7.379 33.296 ( 0.000 1.490 0.000) 1.490 33.339 ( 0.000 0.612 0.000) 0.612 33.438 ( 0.000 -12.756 0.000) 12.756 ======================= Grid point 55 (32/200) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.152 ( -13.434 20.557 0.000) 24.558 4.451 ( 2.251 23.912 0.000) 24.017 4.849 ( -19.062 -13.562 0.000) 23.394 5.229 ( -0.148 -13.295 0.000) 13.295 5.269 ( 15.364 16.961 0.000) 22.885 5.927 ( -8.313 8.670 0.000) 12.012 6.009 ( 18.414 -18.425 0.000) 26.049 6.257 ( -13.921 -5.401 0.000) 14.932 7.232 ( 8.563 10.435 0.000) 13.498 7.448 ( -1.638 23.093 0.000) 23.151 7.464 ( 5.846 -2.663 0.000) 6.424 7.831 ( -3.091 4.199 0.000) 5.214 19.802 ( 1.266 8.325 0.000) 8.421 19.999 ( -9.596 4.743 0.000) 10.704 20.258 ( 1.550 -13.747 0.000) 13.834 20.302 ( -0.849 -7.714 0.000) 7.761 20.584 ( 4.055 17.513 0.000) 17.977 21.651 ( 0.212 -29.105 0.000) 29.106 22.231 ( -11.734 26.458 0.000) 28.943 23.274 ( -3.682 -18.049 0.000) 18.421 23.376 ( -2.227 -3.935 0.000) 4.521 23.548 ( 2.848 -10.511 0.000) 10.890 23.967 ( -10.060 14.456 0.000) 17.612 24.434 ( -17.634 -13.277 0.000) 22.073 27.815 ( 12.282 4.842 0.000) 13.202 28.180 ( 4.821 -12.783 0.000) 13.662 28.367 ( 2.974 4.033 0.000) 5.011 28.551 ( 3.330 -4.524 0.000) 5.618 31.629 ( 1.715 5.445 0.000) 5.708 31.911 ( 2.122 -8.718 0.000) 8.973 32.410 ( -6.460 7.560 0.000) 9.944 32.614 ( -0.407 3.102 0.000) 3.128 33.185 ( 0.862 -4.807 0.000) 4.883 33.289 ( -0.460 2.272 0.000) 2.318 33.358 ( 1.721 -0.439 0.000) 1.776 33.472 ( 2.877 -12.010 0.000) 12.350 ======================= Grid point 56 (33/200) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.914 ( -9.783 16.559 0.000) 19.233 4.472 ( -1.706 21.495 0.000) 21.562 4.490 ( -16.292 -11.776 0.000) 20.102 5.131 ( -10.822 -7.846 0.000) 13.367 5.570 ( 14.085 18.529 0.000) 23.275 5.839 ( -2.105 0.572 0.000) 2.181 5.977 ( -9.370 -1.482 0.000) 9.486 6.346 ( 15.015 -19.056 0.000) 24.261 7.400 ( 7.619 9.345 0.000) 12.057 7.413 ( -1.618 21.852 0.000) 21.912 7.575 ( 4.965 -0.035 0.000) 4.965 7.753 ( -4.620 5.071 0.000) 6.860 19.821 ( -8.137 5.759 0.000) 9.968 19.826 ( 0.892 8.743 0.000) 8.788 20.225 ( -5.138 -13.432 0.000) 14.381 20.290 ( 1.382 -13.403 0.000) 13.474 20.722 ( 9.286 19.581 0.000) 21.671 21.646 ( -0.704 -24.433 0.000) 24.443 21.946 ( -16.430 23.491 0.000) 28.666 23.071 ( -20.496 -27.620 0.000) 34.394 23.336 ( -1.694 -2.306 0.000) 2.861 23.609 ( 3.391 -12.888 0.000) 13.327 23.690 ( -14.658 16.003 0.000) 21.701 24.128 ( -12.082 -5.602 0.000) 13.318 28.085 ( 14.123 1.266 0.000) 14.179 28.305 ( 7.803 -9.882 0.000) 12.591 28.438 ( 3.979 3.943 0.000) 5.602 28.628 ( 4.153 -4.552 0.000) 6.162 31.679 ( 3.432 5.747 0.000) 6.694 31.971 ( 4.043 -8.776 0.000) 9.662 32.274 ( -7.308 7.636 0.000) 10.569 32.562 ( -4.767 -2.806 0.000) 5.532 33.222 ( 2.765 -0.308 0.000) 2.782 33.285 ( 0.078 3.140 0.000) 3.141 33.399 ( 2.406 -2.046 0.000) 3.158 33.525 ( 2.234 -10.302 0.000) 10.541 ======================= Grid point 57 (34/200) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.804 ( -1.364 12.937 0.000) 13.009 4.268 ( -5.809 -9.611 0.000) 11.231 4.336 ( -12.163 16.279 0.000) 20.321 4.857 ( -16.526 -6.845 0.000) 17.888 5.713 ( -3.898 8.387 0.000) 9.249 5.771 ( 6.163 19.007 0.000) 19.981 6.079 ( 12.353 -6.762 0.000) 14.083 6.547 ( 5.038 -18.629 0.000) 19.298 7.402 ( 0.831 19.310 0.000) 19.328 7.501 ( 2.561 9.825 0.000) 10.153 7.645 ( 2.253 1.976 0.000) 2.997 7.675 ( -2.841 5.775 0.000) 6.436 19.706 ( -3.416 6.685 0.000) 7.507 19.821 ( -1.728 9.349 0.000) 9.507 20.157 ( -1.265 -14.432 0.000) 14.487 20.296 ( -1.069 -12.712 0.000) 12.757 20.927 ( 12.043 16.543 0.000) 20.462 21.631 ( -0.477 -18.504 0.000) 18.510 21.648 ( -13.450 16.279 0.000) 21.116 22.511 ( -33.189 -19.036 0.000) 38.261 23.318 ( -0.064 -0.955 0.000) 0.957 23.498 ( -6.535 8.226 0.000) 10.505 23.676 ( 3.506 -13.942 0.000) 14.376 23.948 ( -7.345 -6.610 0.000) 9.881 28.320 ( 9.770 0.019 0.000) 9.770 28.468 ( 8.640 -7.331 0.000) 11.331 28.503 ( 2.364 3.376 0.000) 4.121 28.692 ( 2.055 -4.758 0.000) 5.183 31.761 ( 4.987 6.113 0.000) 7.890 32.065 ( 5.566 -8.755 0.000) 10.374 32.133 ( -7.275 7.229 0.000) 10.256 32.448 ( -6.675 -6.218 0.000) 9.122 33.275 ( 2.276 2.162 0.000) 3.139 33.292 ( 0.593 3.592 0.000) 3.641 33.449 ( 2.681 -3.587 0.000) 4.478 33.550 ( 0.272 -8.319 0.000) 8.324 ======================= Grid point 58 (35/200) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 320 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.862 ( 7.189 11.346 0.000) 13.432 4.069 ( -13.598 12.534 0.000) 18.493 4.285 ( 7.463 -8.746 0.000) 11.497 4.527 ( -16.327 -8.677 0.000) 18.489 5.733 ( 4.194 16.437 0.000) 16.964 5.806 ( -2.013 18.873 0.000) 18.980 6.334 ( 12.770 -11.502 0.000) 17.187 6.529 ( -6.439 -15.685 0.000) 16.955 7.445 ( 3.176 15.727 0.000) 16.044 7.502 ( -2.032 12.244 0.000) 12.411 7.654 ( 0.337 4.780 0.000) 4.792 7.664 ( -0.141 3.220 0.000) 3.223 19.694 ( 1.993 8.225 0.000) 8.463 19.761 ( -4.057 9.414 0.000) 10.251 20.178 ( 3.027 -13.982 0.000) 14.306 20.248 ( -3.575 -12.753 0.000) 13.245 21.187 ( 14.324 11.512 0.000) 18.377 21.429 ( -10.452 9.343 0.000) 14.019 21.662 ( 5.450 -12.495 0.000) 13.632 21.934 ( -23.738 -10.762 0.000) 26.064 23.337 ( 2.091 0.445 0.000) 2.138 23.398 ( -4.138 2.773 0.000) 4.982 23.746 ( 3.863 -12.973 0.000) 13.536 23.830 ( -5.023 -10.151 0.000) 11.326 28.461 ( 5.017 0.820 0.000) 5.083 28.518 ( -0.985 2.247 0.000) 2.453 28.616 ( 6.212 -5.939 0.000) 8.594 28.696 ( -1.915 -5.212 0.000) 5.553 31.869 ( 6.169 6.467 0.000) 8.937 31.996 ( -6.908 6.820 0.000) 9.707 32.183 ( 6.558 -8.502 0.000) 10.737 32.314 ( -6.987 -7.797 0.000) 10.470 33.303 ( 0.666 3.170 0.000) 3.239 33.304 ( 0.464 3.593 0.000) 3.622 33.499 ( 2.426 -5.016 0.000) 5.572 33.538 ( -1.454 -6.522 0.000) 6.683 ======================= Grid point 63 (36/200) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.753 ( 0.000 -19.091 0.000) 19.091 4.753 ( 0.000 19.091 0.000) 19.091 4.872 ( 0.000 -19.576 0.000) 19.576 4.872 ( 0.000 19.576 0.000) 19.576 5.410 ( 0.000 -17.093 0.000) 17.093 5.410 ( 0.000 17.093 0.000) 17.093 6.241 ( 0.000 -9.770 0.000) 9.770 6.241 ( 0.000 9.770 0.000) 9.770 7.306 ( 0.000 -5.749 0.000) 5.749 7.306 ( 0.000 5.749 0.000) 5.749 7.805 ( 0.000 -9.731 0.000) 9.731 7.805 ( 0.000 9.731 0.000) 9.731 19.986 ( 0.000 -11.210 0.000) 11.210 19.986 ( 0.000 11.210 0.000) 11.210 20.192 ( 0.000 -5.090 0.000) 5.090 20.192 ( 0.000 5.090 0.000) 5.090 21.029 ( 0.000 -28.836 0.000) 28.836 21.029 ( 0.000 28.836 0.000) 28.836 22.895 ( 0.000 -25.114 0.000) 25.114 22.895 ( 0.000 25.114 0.000) 25.114 23.389 ( 0.000 -3.174 0.000) 3.174 23.389 ( 0.000 3.174 0.000) 3.174 24.330 ( 0.000 -12.734 0.000) 12.734 24.330 ( 0.000 12.734 0.000) 12.734 27.871 ( 0.000 -11.163 0.000) 11.163 27.871 ( 0.000 11.163 0.000) 11.163 28.424 ( 0.000 -4.496 0.000) 4.496 28.424 ( 0.000 4.496 0.000) 4.496 31.733 ( 0.000 -6.746 0.000) 6.746 31.733 ( 0.000 6.746 0.000) 6.746 32.617 ( 0.000 -4.857 0.000) 4.857 32.617 ( 0.000 4.857 0.000) 4.857 33.206 ( 0.000 -8.667 0.000) 8.667 33.206 ( 0.000 8.667 0.000) 8.667 33.329 ( 0.000 -1.350 0.000) 1.350 33.329 ( 0.000 1.350 0.000) 1.350 ======================= Grid point 65 (37/200) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.534 ( -16.978 -17.112 0.000) 24.105 4.534 ( -16.978 17.112 0.000) 24.105 4.892 ( 1.333 -19.318 0.000) 19.364 4.892 ( 1.333 19.318 0.000) 19.364 5.632 ( 17.373 -18.380 0.000) 25.291 5.632 ( 17.373 18.380 0.000) 25.291 6.108 ( -11.593 -8.658 0.000) 14.469 6.108 ( -11.593 8.658 0.000) 14.469 7.392 ( 7.470 -5.256 0.000) 9.134 7.392 ( 7.470 5.256 0.000) 9.134 7.781 ( -2.408 -9.387 0.000) 9.691 7.781 ( -2.408 9.387 0.000) 9.691 20.002 ( 1.502 -11.296 0.000) 11.395 20.002 ( 1.502 11.296 0.000) 11.395 20.121 ( -6.547 -7.838 0.000) 10.213 20.121 ( -6.547 7.838 0.000) 10.213 21.071 ( 3.907 -27.242 0.000) 27.520 21.071 ( 3.907 27.242 0.000) 27.520 22.791 ( -10.863 -27.327 0.000) 29.407 22.791 ( -10.863 27.327 0.000) 29.407 23.389 ( 0.019 -4.694 0.000) 4.694 23.389 ( 0.019 4.694 0.000) 4.694 24.213 ( -10.943 -10.277 0.000) 15.012 24.213 ( -10.943 10.277 0.000) 15.012 27.955 ( 8.121 -9.031 0.000) 12.145 27.955 ( 8.121 9.031 0.000) 12.145 28.457 ( 3.187 -4.643 0.000) 5.632 28.457 ( 3.187 4.643 0.000) 5.632 31.752 ( 1.963 -6.859 0.000) 7.135 31.752 ( 1.963 6.859 0.000) 7.135 32.561 ( -5.246 -6.658 0.000) 8.477 32.561 ( -5.246 6.658 0.000) 8.477 33.247 ( 3.736 -9.014 0.000) 9.758 33.247 ( 3.736 9.014 0.000) 9.758 33.333 ( 0.489 -1.887 0.000) 1.950 33.333 ( 0.489 1.887 0.000) 1.950 ======================= Grid point 67 (38/200) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.226 ( -13.441 -14.138 0.000) 19.508 4.226 ( -13.441 14.138 0.000) 19.508 4.867 ( -5.774 -16.981 0.000) 17.936 4.867 ( -5.774 16.981 0.000) 17.936 5.905 ( -6.593 -4.636 0.000) 8.059 5.905 ( -6.593 4.636 0.000) 8.059 5.955 ( 14.634 -19.177 0.000) 24.123 5.955 ( 14.634 19.177 0.000) 24.123 7.538 ( 6.824 -4.126 0.000) 7.975 7.538 ( 6.824 4.126 0.000) 7.975 7.722 ( -3.342 -8.326 0.000) 8.971 7.722 ( -3.342 8.326 0.000) 8.971 19.982 ( -6.816 -10.098 0.000) 12.183 19.982 ( -6.816 10.098 0.000) 12.183 20.033 ( 1.390 -11.552 0.000) 11.636 20.033 ( 1.390 11.552 0.000) 11.636 21.161 ( 5.212 -23.007 0.000) 23.590 21.161 ( 5.212 23.007 0.000) 23.590 22.483 ( -20.330 -28.580 0.000) 35.073 22.483 ( -20.330 28.580 0.000) 35.073 23.394 ( 0.641 -7.429 0.000) 7.457 23.394 ( 0.641 7.429 0.000) 7.457 23.968 ( -13.007 -10.752 0.000) 16.876 23.968 ( -13.007 10.752 0.000) 16.876 28.150 ( 11.118 -5.319 0.000) 12.324 28.150 ( 11.118 5.319 0.000) 12.324 28.531 ( 3.987 -4.878 0.000) 6.300 28.531 ( 3.987 4.878 0.000) 6.300 31.808 ( 3.816 -7.143 0.000) 8.099 31.808 ( 3.816 7.143 0.000) 8.099 32.436 ( -7.269 -7.966 0.000) 10.784 32.436 ( -7.269 7.966 0.000) 10.784 33.326 ( 3.852 -8.652 0.000) 9.471 33.326 ( 3.852 8.652 0.000) 9.471 33.348 ( 0.996 -2.915 0.000) 3.081 33.348 ( 0.996 2.915 0.000) 3.081 ======================= Grid point 69 (39/200) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.053 ( -3.885 -11.469 0.000) 12.109 4.053 ( -3.885 11.469 0.000) 12.109 4.642 ( -16.234 -13.432 0.000) 21.071 4.642 ( -16.234 13.432 0.000) 21.071 5.904 ( 5.615 -9.714 0.000) 11.220 5.904 ( 5.615 9.714 0.000) 11.220 6.161 ( 6.035 -19.168 0.000) 20.095 6.161 ( 6.035 19.168 0.000) 20.095 7.637 ( 3.210 -3.373 0.000) 4.656 7.637 ( 3.210 3.373 0.000) 4.656 7.668 ( -1.807 -6.665 0.000) 6.906 7.668 ( -1.807 6.665 0.000) 6.906 19.891 ( -2.066 -11.353 0.000) 11.539 19.891 ( -2.066 11.353 0.000) 11.539 20.039 ( -1.122 -11.969 0.000) 12.022 20.039 ( -1.122 11.969 0.000) 12.022 21.270 ( 6.304 -17.086 0.000) 18.212 21.270 ( 6.304 17.086 0.000) 18.212 22.055 ( -22.490 -22.703 0.000) 31.957 22.055 ( -22.490 22.703 0.000) 31.957 23.419 ( 2.045 -9.971 0.000) 10.178 23.419 ( 2.045 9.971 0.000) 10.178 23.743 ( -10.024 -12.672 0.000) 16.158 23.743 ( -10.024 12.672 0.000) 16.158 28.356 ( 9.775 -3.618 0.000) 10.423 28.356 ( 9.775 3.618 0.000) 10.423 28.592 ( 1.904 -4.937 0.000) 5.292 28.592 ( 1.904 4.937 0.000) 5.292 31.898 ( 5.389 -7.488 0.000) 9.225 31.898 ( 5.389 7.488 0.000) 9.225 32.291 ( -7.591 -8.200 0.000) 11.174 32.291 ( -7.591 8.200 0.000) 11.174 33.371 ( 1.317 -3.987 0.000) 4.199 33.371 ( 1.317 3.987 0.000) 4.199 33.384 ( 2.075 -7.507 0.000) 7.788 33.384 ( 2.075 7.507 0.000) 7.788 ======================= Grid point 71 (40/200) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.087 ( 7.318 -10.581 0.000) 12.865 4.087 ( 7.318 10.581 0.000) 12.865 4.317 ( -15.692 -11.586 0.000) 19.506 4.317 ( -15.692 11.586 0.000) 19.506 6.056 ( 8.515 -15.138 0.000) 17.369 6.056 ( 8.515 15.138 0.000) 17.369 6.182 ( -3.482 -17.980 0.000) 18.314 6.182 ( -3.482 17.980 0.000) 18.314 7.657 ( 0.407 -4.984 0.000) 5.000 7.657 ( 0.407 4.984 0.000) 5.000 7.666 ( 0.076 -3.762 0.000) 3.763 7.666 ( 0.076 3.762 0.000) 3.763 19.905 ( 3.212 -12.271 0.000) 12.684 19.905 ( 3.212 12.271 0.000) 12.684 19.986 ( -4.171 -12.415 0.000) 13.097 19.986 ( -4.171 12.415 0.000) 13.097 21.420 ( 9.738 -11.459 0.000) 15.038 21.420 ( 9.738 11.459 0.000) 15.038 21.670 ( -16.594 -13.537 0.000) 21.415 21.670 ( -16.594 13.537 0.000) 21.415 23.477 ( 4.138 -11.769 0.000) 12.475 23.477 ( 4.138 11.769 0.000) 12.475 23.582 ( -6.803 -12.705 0.000) 14.412 23.582 ( -6.803 12.705 0.000) 14.412 28.513 ( 6.260 -4.055 0.000) 7.459 28.513 ( 6.260 4.055 0.000) 7.459 28.593 ( -1.976 -4.680 0.000) 5.080 28.593 ( -1.976 4.680 0.000) 5.080 32.013 ( 6.541 -7.808 0.000) 10.185 32.013 ( 6.541 7.808 0.000) 10.185 32.147 ( -7.266 -8.063 0.000) 10.854 32.147 ( -7.266 8.063 0.000) 10.854 33.395 ( 1.041 -5.047 0.000) 5.153 33.395 ( 1.041 5.047 0.000) 5.153 33.405 ( 0.146 -6.207 0.000) 6.208 33.405 ( 0.146 6.207 0.000) 6.208 ======================= Grid point 135 (41/200) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 0.000 0.000 39.819) 39.819 0.818 ( 0.000 0.000 43.366) 43.366 1.351 ( 0.000 0.000 70.746) 70.746 3.859 ( 0.000 0.000 -8.227) 8.227 4.634 ( 0.000 0.000 3.590) 3.590 4.857 ( 0.000 0.000 14.573) 14.573 5.350 ( 0.000 0.000 -32.099) 32.099 5.436 ( 0.000 0.000 -3.361) 3.361 6.503 ( 0.000 0.000 26.667) 26.667 6.908 ( 0.000 0.000 -15.883) 15.883 7.311 ( 0.000 0.000 -6.811) 6.811 8.267 ( 0.000 0.000 -2.324) 2.324 19.694 ( 0.000 0.000 5.692) 5.692 20.292 ( 0.000 0.000 1.844) 1.844 20.849 ( 0.000 0.000 -3.930) 3.930 21.460 ( 0.000 0.000 6.438) 6.438 21.555 ( 0.000 0.000 -14.121) 14.121 21.827 ( 0.000 0.000 3.061) 3.061 22.542 ( 0.000 0.000 -3.841) 3.841 22.812 ( 0.000 0.000 -6.886) 6.886 23.089 ( 0.000 0.000 5.076) 5.076 23.118 ( 0.000 0.000 10.274) 10.274 26.156 ( 0.000 0.000 1.804) 1.804 26.498 ( 0.000 0.000 -1.045) 1.045 27.241 ( 0.000 0.000 5.327) 5.327 28.985 ( 0.000 0.000 0.472) 0.472 29.297 ( 0.000 0.000 -3.209) 3.209 29.673 ( 0.000 0.000 -20.413) 20.413 30.210 ( 0.000 0.000 4.306) 4.306 31.085 ( 0.000 0.000 -3.335) 3.335 31.461 ( 0.000 0.000 1.510) 1.510 31.784 ( 0.000 0.000 -1.265) 1.265 32.336 ( 0.000 0.000 13.767) 13.767 33.669 ( 0.000 0.000 -4.695) 4.695 34.959 ( 0.000 0.000 7.659) 7.659 36.176 ( 0.000 0.000 -4.243) 4.243 ======================= Grid point 136 (42/200) ======================= q-point: ( 0.11 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 29.127 0.000 27.770) 40.243 1.117 ( 30.854 0.000 26.597) 40.735 1.879 ( 44.516 0.000 52.007) 68.458 3.909 ( 4.934 0.000 -7.847) 9.269 4.579 ( -5.528 0.000 3.601) 6.598 4.783 ( -7.597 0.000 14.409) 16.289 5.186 ( -14.717 0.000 -29.548) 33.011 5.399 ( -3.887 0.000 -3.425) 5.180 6.228 ( -21.361 0.000 20.369) 29.515 7.094 ( 15.653 0.000 -15.516) 22.040 7.525 ( 13.853 0.000 -5.798) 15.018 8.145 ( -11.731 0.000 -1.077) 11.781 19.397 ( -17.699 0.000 23.918) 29.754 20.299 ( 0.763 0.000 1.907) 2.054 20.725 ( -33.269 0.000 27.456) 43.135 20.825 ( -2.409 0.000 -3.098) 3.925 21.464 ( 0.578 0.000 5.544) 5.574 21.715 ( 3.504 0.000 -2.808) 4.490 22.487 ( -5.605 0.000 -3.715) 6.724 22.826 ( -3.608 0.000 -10.745) 11.335 23.081 ( -0.879 0.000 6.284) 6.346 23.588 ( 7.133 0.000 -9.254) 11.684 26.229 ( 6.885 0.000 1.036) 6.962 26.364 ( 1.518 0.000 2.961) 3.327 28.840 ( 67.020 0.000 -74.433) 100.160 28.969 ( 3.812 0.000 -5.151) 6.408 29.339 ( 13.127 0.000 -12.662) 18.239 29.783 ( 11.526 0.000 -22.819) 25.565 30.238 ( 2.840 0.000 4.112) 4.997 31.043 ( -3.986 0.000 -2.580) 4.748 31.493 ( 2.931 0.000 0.878) 3.060 31.781 ( -0.260 0.000 -1.265) 1.291 32.351 ( 1.635 0.000 14.519) 14.610 33.644 ( -3.808 0.000 -2.126) 4.362 34.778 ( -25.361 0.000 34.381) 42.723 35.329 ( -37.537 0.000 34.532) 51.005 ======================= Grid point 137 (43/200) ======================= q-point: ( 0.22 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 37.206 0.000 14.184) 39.818 1.780 ( 35.898 0.000 15.921) 39.270 2.831 ( 50.968 0.000 33.809) 61.162 4.027 ( 5.809 0.000 -5.957) 8.321 4.436 ( -8.088 0.000 2.809) 8.562 4.578 ( -12.860 0.000 14.209) 19.164 4.873 ( -15.920 0.000 -23.863) 28.686 5.288 ( -7.554 0.000 -3.624) 8.378 5.790 ( -22.807 0.000 15.798) 27.744 7.382 ( 6.012 0.000 -9.432) 11.185 7.622 ( -4.753 0.000 -12.569) 13.438 7.976 ( 1.635 0.000 2.486) 2.976 19.227 ( -1.441 0.000 18.304) 18.361 20.287 ( -17.997 0.000 13.904) 22.742 20.323 ( 1.742 0.000 2.077) 2.710 20.757 ( -4.566 0.000 -1.116) 4.700 21.490 ( 2.421 0.000 3.349) 4.133 21.821 ( 7.065 0.000 -6.231) 9.420 22.335 ( -9.787 0.000 -3.357) 10.347 22.722 ( -6.955 0.000 -13.992) 15.626 23.059 ( -1.157 0.000 8.304) 8.384 23.527 ( -8.651 0.000 2.348) 8.964 26.387 ( 8.748 0.000 -1.075) 8.814 26.468 ( 7.551 0.000 0.392) 7.561 28.916 ( -1.710 0.000 -1.458) 2.247 29.142 ( -3.369 0.000 -6.489) 7.311 29.944 ( 19.285 0.000 -32.438) 37.737 30.212 ( 29.155 0.000 -64.278) 70.581 30.316 ( 5.066 0.000 3.575) 6.200 30.946 ( -5.845 0.000 -1.314) 5.991 31.560 ( 3.685 0.000 -0.030) 3.685 31.773 ( -0.618 0.000 -1.259) 1.403 32.401 ( 3.573 0.000 16.723) 17.101 33.446 ( -16.796 0.000 20.491) 26.495 34.327 ( -9.628 0.000 39.513) 40.669 35.022 ( -7.989 0.000 7.212) 10.763 ======================= Grid point 138 (44/200) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 34.147 0.000 10.658) 35.771 2.481 ( 34.890 0.000 10.555) 36.451 3.679 ( 26.367 0.000 21.090) 33.764 3.979 ( -13.393 0.000 2.195) 13.571 4.385 ( 0.997 0.000 14.055) 14.091 4.410 ( 7.706 0.000 -3.697) 8.547 4.631 ( -7.852 0.000 -15.662) 17.520 5.111 ( -10.683 0.000 -3.970) 11.397 5.400 ( -15.408 0.000 11.294) 19.105 6.965 ( -35.583 0.000 0.322) 35.584 7.801 ( 13.636 0.000 -15.528) 20.666 8.079 ( 4.810 0.000 -1.948) 5.189 19.280 ( 6.053 0.000 12.834) 14.190 19.961 ( -15.952 0.000 9.864) 18.756 20.369 ( 3.053 0.000 2.281) 3.811 20.655 ( -5.806 0.000 0.835) 5.866 21.566 ( 5.509 0.000 0.982) 5.595 21.980 ( 9.288 0.000 -9.812) 13.511 22.124 ( -11.684 0.000 -2.797) 12.014 22.565 ( -9.123 0.000 -16.342) 18.716 23.047 ( 0.195 0.000 9.731) 9.733 23.340 ( -9.712 0.000 8.146) 12.676 26.546 ( 7.350 0.000 -2.938) 7.916 26.609 ( 6.185 0.000 -0.675) 6.222 28.896 ( -0.230 0.000 -1.118) 1.142 29.055 ( -4.932 0.000 -1.915) 5.291 30.260 ( 14.852 0.000 -27.461) 31.220 30.428 ( 6.406 0.000 2.803) 6.992 30.582 ( 9.749 0.000 -53.719) 54.596 30.825 ( -6.629 0.000 -0.150) 6.631 31.628 ( 3.325 0.000 -0.635) 3.385 31.756 ( -1.134 0.000 -1.233) 1.676 32.491 ( 5.874 0.000 20.260) 21.094 33.104 ( -16.531 0.000 32.357) 36.336 34.331 ( 6.315 0.000 15.125) 16.391 34.870 ( -8.452 0.000 3.856) 9.290 ======================= Grid point 139 (45/200) ======================= q-point: ( 0.44 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 29.863 0.000 7.624) 30.821 3.105 ( 29.408 0.000 10.314) 31.164 3.602 ( -21.066 0.000 12.467) 24.478 3.603 ( -23.859 0.000 5.474) 24.479 4.575 ( 3.428 0.000 -1.839) 3.890 4.629 ( 13.050 0.000 -4.893) 13.937 4.638 ( 2.933 0.000 6.355) 6.999 4.882 ( -12.790 0.000 -4.450) 13.542 5.443 ( 27.678 0.000 7.602) 28.703 6.196 ( -42.528 0.000 4.187) 42.734 8.018 ( 8.333 0.000 -11.340) 14.073 8.114 ( -1.495 0.000 -6.704) 6.869 19.441 ( 10.373 0.000 10.342) 14.648 19.674 ( -13.624 0.000 9.305) 16.498 20.442 ( 4.546 0.000 2.349) 5.117 20.542 ( -5.694 0.000 1.980) 6.029 21.704 ( 8.817 0.000 -0.809) 8.854 21.900 ( -11.187 0.000 -1.997) 11.364 22.172 ( 10.465 0.000 -13.463) 17.052 22.375 ( -10.380 0.000 -16.093) 19.150 23.078 ( 3.231 0.000 10.612) 11.093 23.176 ( -6.951 0.000 10.528) 12.616 26.657 ( 3.863 0.000 -3.215) 5.026 26.684 ( 1.283 0.000 -2.141) 2.496 28.911 ( 1.852 0.000 -0.538) 1.929 28.967 ( -3.895 0.000 -0.482) 3.925 30.508 ( 10.391 0.000 -32.207) 33.842 30.558 ( 6.957 0.000 1.895) 7.211 30.640 ( -2.658 0.000 -40.739) 40.826 30.693 ( -6.973 0.000 0.909) 7.032 31.686 ( 2.596 0.000 -0.980) 2.774 31.728 ( -1.815 0.000 -1.156) 2.152 32.630 ( 8.622 0.000 24.819) 26.274 32.829 ( -12.118 0.000 29.677) 32.056 34.497 ( 9.918 0.000 6.590) 11.908 34.691 ( -9.908 0.000 3.800) 10.612 ======================= Grid point 144 (46/200) ======================= q-point: ( 0.00 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( 0.000 26.978 28.244) 39.058 1.183 ( 0.000 29.984 28.904) 41.647 1.954 ( 0.000 50.069 45.980) 67.978 4.014 ( 0.000 14.562 -7.912) 16.572 4.758 ( 0.000 7.318 4.136) 8.406 4.937 ( 0.000 10.790 13.546) 17.318 5.360 ( 0.000 1.383 -30.610) 30.642 5.578 ( 0.000 13.311 -4.079) 13.922 6.478 ( 0.000 -2.136 26.228) 26.315 6.885 ( 0.000 -2.148 -13.901) 14.066 7.260 ( 0.000 -4.866 -7.026) 8.546 8.222 ( 0.000 -4.384 -2.377) 4.987 19.474 ( 0.000 -30.193 32.518) 44.374 19.676 ( 0.000 -1.668 5.158) 5.421 20.808 ( 0.000 -3.933 -3.293) 5.130 21.348 ( 0.000 -7.414 5.248) 9.083 21.533 ( 0.000 -4.991 -11.141) 12.208 22.011 ( 0.000 14.607 2.108) 14.758 22.289 ( 0.000 -20.441 -3.084) 20.672 22.955 ( 0.000 4.164 -3.532) 5.460 23.091 ( 0.000 0.150 5.647) 5.649 23.724 ( 0.000 31.063 -17.313) 35.562 25.958 ( 0.000 -18.662 1.981) 18.767 26.518 ( 0.000 -3.189 -8.052) 8.661 27.269 ( 0.000 2.643 5.224) 5.855 28.927 ( 0.000 -4.641 0.603) 4.680 29.238 ( 0.000 -4.616 -4.771) 6.638 29.410 ( 0.000 -22.394 -13.749) 26.278 30.384 ( 0.000 15.190 4.083) 15.729 31.510 ( 0.000 4.774 1.558) 5.022 31.736 ( 0.000 31.754 -37.920) 49.460 31.953 ( 0.000 16.625 -9.047) 18.927 32.384 ( 0.000 5.121 14.303) 15.192 33.629 ( 0.000 -3.820 -4.664) 6.028 34.873 ( 0.000 -8.301 7.536) 11.211 35.434 ( 0.000 -43.044 38.675) 57.867 ======================= Grid point 145 (47/200) ======================= q-point: ( 0.11 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 22.818 22.823 21.815) 38.954 1.376 ( 23.012 22.668 23.662) 40.042 2.348 ( 35.498 41.160 38.186) 66.426 4.065 ( 5.116 14.754 -7.549) 17.344 4.694 ( -6.485 6.795 3.878) 10.162 4.857 ( -7.920 10.383 13.609) 18.861 5.182 ( -15.208 0.726 -27.284) 31.245 5.558 ( -3.219 14.417 -4.044) 15.315 6.208 ( -20.964 -1.820 19.569) 28.736 7.069 ( 15.201 -2.366 -13.712) 20.608 7.460 ( 14.110 -5.862 -4.821) 16.021 8.104 ( -11.340 -3.942 -1.198) 12.065 19.306 ( -8.511 -7.514 24.305) 26.825 19.795 ( 5.812 -16.457 7.904) 19.159 20.773 ( -3.530 -4.146 -3.045) 6.239 21.074 ( -20.582 3.031 5.707) 21.573 21.607 ( 2.993 4.234 -6.032) 7.954 21.784 ( -8.478 14.880 4.530) 17.715 22.244 ( -4.473 -19.744 -2.880) 20.448 22.909 ( -5.532 4.868 -7.056) 10.202 23.108 ( 1.321 2.239 6.640) 7.130 23.777 ( -1.189 15.320 -10.436) 18.575 26.020 ( 5.879 -19.784 1.303) 20.681 26.292 ( -5.118 -7.189 2.097) 9.070 28.244 ( 56.386 -31.693 -26.616) 69.945 28.906 ( -1.301 -4.722 0.082) 4.899 29.289 ( 6.959 -4.430 -7.077) 10.869 29.513 ( 10.201 -22.236 -14.277) 28.325 30.414 ( 3.104 15.149 3.717) 15.904 31.451 ( -5.332 9.772 -4.635) 12.058 31.779 ( 3.541 25.808 -29.988) 39.722 31.954 ( 0.098 16.788 -9.277) 19.181 32.402 ( 1.902 5.348 14.960) 16.001 33.621 ( -1.599 -2.333 -3.712) 4.667 34.702 ( -22.270 -6.992 32.999) 40.420 35.086 ( -17.180 -18.736 26.624) 36.811 ======================= Grid point 146 (48/200) ======================= q-point: ( 0.22 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 32.889 14.325 14.247) 38.599 1.953 ( 32.755 14.324 15.222) 38.856 3.148 ( 44.275 29.446 27.349) 59.794 4.186 ( 5.736 14.937 -5.721) 16.993 4.525 ( -9.608 4.738 3.345) 11.223 4.647 ( -13.184 9.141 11.542) 19.763 4.876 ( -14.590 2.056 -21.200) 25.817 5.439 ( -9.247 12.876 -0.866) 15.877 5.797 ( -20.138 1.683 12.921) 23.986 7.343 ( 5.381 -3.714 -8.304) 10.569 7.588 ( -2.195 -3.269 -12.274) 12.890 7.931 ( 0.701 -4.252 2.467) 4.965 19.234 ( 0.695 0.836 16.236) 16.272 19.857 ( 0.714 -16.857 7.164) 18.330 20.660 ( -9.386 2.625 0.110) 9.746 20.747 ( -10.935 3.593 3.914) 12.157 21.589 ( -1.940 10.754 1.054) 10.978 21.806 ( 6.435 -1.932 -6.178) 9.127 22.126 ( -7.466 -17.355 -2.402) 19.045 22.768 ( -8.606 3.165 -11.522) 14.725 23.123 ( 0.339 5.313 8.229) 9.801 23.653 ( -9.931 10.772 -0.862) 14.677 26.157 ( 7.747 -21.979 -0.271) 23.306 26.308 ( 4.369 -15.244 0.636) 15.871 28.793 ( 5.153 -18.898 -9.876) 21.937 28.916 ( 1.986 -11.185 -1.298) 11.434 29.590 ( 20.168 -20.117 -21.925) 35.947 29.779 ( 16.369 -23.393 -16.438) 32.945 30.502 ( 5.957 14.955 2.516) 16.293 31.327 ( -7.287 13.309 -8.694) 17.487 31.848 ( 3.258 19.925 -21.323) 29.365 31.956 ( 0.084 17.115 -9.845) 19.745 32.459 ( 4.050 6.010 16.912) 18.399 33.499 ( -12.456 4.359 11.324) 17.389 34.296 ( -10.861 -2.841 37.822) 39.453 34.908 ( -6.452 -10.753 6.630) 14.186 ======================= Grid point 147 (49/200) ======================= q-point: ( 0.33 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 33.524 9.408 10.003) 36.228 2.587 ( 32.129 9.998 11.538) 35.572 3.858 ( 16.187 17.071 16.828) 28.924 4.128 ( -13.121 13.505 2.584) 19.006 4.437 ( 4.596 5.590 14.018) 15.776 4.478 ( 0.995 4.387 -8.281) 9.424 4.698 ( -0.904 8.703 -11.677) 14.592 5.221 ( -10.946 8.094 4.065) 14.208 5.473 ( -12.929 9.378 4.418) 16.572 6.955 ( -33.755 -0.841 0.565) 33.770 7.766 ( 13.158 -3.415 -14.909) 20.176 8.029 ( 4.915 -4.781 -1.735) 7.073 19.308 ( 6.405 2.651 11.659) 13.564 19.815 ( -5.401 -10.064 7.505) 13.667 20.480 ( -6.439 6.555 2.842) 9.618 20.603 ( -6.209 -4.589 1.077) 7.796 21.587 ( 1.892 2.719 0.160) 3.316 21.929 ( -0.475 -9.425 -6.598) 11.515 21.998 ( 0.993 -6.491 -5.418) 8.513 22.585 ( -10.302 1.248 -14.759) 18.042 23.131 ( 0.889 7.236 9.310) 11.825 23.448 ( -10.400 9.780 5.271) 15.218 26.300 ( 6.733 -23.698 -1.826) 24.703 26.400 ( 4.135 -20.039 -0.643) 20.471 28.818 ( 0.353 -8.223 -2.934) 8.738 28.912 ( -1.853 -10.005 0.378) 10.182 29.910 ( 13.147 -24.445 -19.568) 33.960 30.055 ( 10.212 -26.097 -18.471) 33.563 30.641 ( 8.298 14.341 0.147) 16.569 31.174 ( -8.536 13.914 -8.955) 18.619 31.900 ( 2.150 16.928 -15.386) 22.976 31.955 ( -0.135 17.169 -10.422) 20.085 32.560 ( 6.469 7.014 20.093) 22.243 33.200 ( -16.072 9.165 26.962) 32.699 34.275 ( 5.383 -5.337 15.152) 16.943 34.774 ( -7.724 -9.147 3.775) 12.553 ======================= Grid point 148 (50/200) ======================= q-point: ( 0.44 0.07 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.154 ( 26.175 4.894 9.963) 28.432 3.179 ( 27.449 7.358 9.877) 30.086 3.689 ( -18.773 10.096 8.434) 22.924 3.761 ( -22.550 14.053 5.634) 27.162 4.505 ( 3.920 -1.573 -3.433) 5.443 4.608 ( -2.870 0.692 4.941) 5.756 4.877 ( 13.163 17.055 -4.723) 22.055 5.101 ( -8.416 18.499 -2.254) 20.448 5.495 ( 27.066 5.462 7.869) 28.711 6.222 ( -40.651 2.771 4.595) 41.003 7.976 ( 8.062 -4.094 -10.904) 14.166 8.067 ( -1.309 -4.517 -6.402) 7.943 19.465 ( 9.556 2.218 9.452) 13.623 19.659 ( -9.904 -1.469 8.276) 12.990 20.433 ( 1.032 -0.541 2.300) 2.579 20.495 ( -4.800 -4.185 1.764) 6.608 21.660 ( 5.538 -3.885 -1.037) 6.844 21.792 ( -7.859 -9.482 -1.902) 12.462 22.164 ( 10.619 -1.265 -12.868) 16.732 22.376 ( -11.109 -0.313 -15.138) 18.779 23.171 ( 3.502 8.413 9.541) 13.193 23.274 ( -7.274 9.144 8.515) 14.458 26.406 ( 3.974 -24.207 -2.351) 24.643 26.444 ( 0.186 -23.018 -1.760) 23.086 28.833 ( 1.349 -6.615 -0.662) 6.783 28.869 ( -2.252 -7.276 0.662) 7.645 30.103 ( 6.629 -24.800 -17.640) 31.148 30.159 ( 0.958 -25.384 -17.294) 30.730 30.814 ( 9.519 13.691 -3.385) 17.015 30.999 ( -9.451 13.593 -6.920) 17.944 31.932 ( 1.224 16.202 -12.147) 20.287 31.949 ( -0.579 16.680 -10.923) 19.947 32.711 ( 9.269 8.197 24.026) 27.025 32.921 ( -12.652 9.250 27.492) 31.645 34.426 ( 9.269 -6.741 6.447) 13.150 34.609 ( -9.261 -7.927 3.710) 12.742 ======================= Grid point 153 (51/200) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 0.000 34.413 13.054) 36.805 1.869 ( 0.000 35.478 16.477) 39.117 3.068 ( 0.000 54.903 28.858) 62.025 4.407 ( 0.000 22.648 -7.466) 23.847 4.892 ( 0.000 7.835 0.937) 7.891 5.233 ( 0.000 11.754 -2.576) 12.033 5.469 ( 0.000 13.336 -10.968) 17.267 5.930 ( 0.000 19.470 -7.397) 20.828 6.425 ( 0.000 -2.737 24.978) 25.128 6.832 ( 0.000 -2.595 -6.806) 7.284 7.125 ( 0.000 -7.691 -7.594) 10.808 8.092 ( 0.000 -8.185 -2.578) 8.582 19.200 ( 0.000 -2.366 12.818) 13.035 19.632 ( 0.000 -2.441 3.690) 4.424 20.692 ( 0.000 -7.406 -1.784) 7.618 21.233 ( 0.000 -3.147 2.216) 3.849 21.370 ( 0.000 -10.566 -9.130) 13.964 21.819 ( 0.000 -23.988 -1.440) 24.031 22.350 ( 0.000 17.900 -1.187) 17.939 23.054 ( 0.000 5.835 -1.451) 6.013 23.094 ( 0.000 0.133 7.855) 7.857 24.140 ( 0.000 10.944 -9.759) 14.663 25.449 ( 0.000 -29.759 2.660) 29.878 26.339 ( 0.000 -13.523 -9.677) 16.629 27.340 ( 0.000 4.076 4.962) 6.421 28.833 ( 0.000 -4.188 0.542) 4.223 28.902 ( 0.000 -24.351 -5.563) 24.978 29.119 ( 0.000 -7.507 -4.775) 8.897 30.743 ( 0.000 18.462 3.496) 18.790 31.651 ( 0.000 8.929 1.754) 9.099 32.018 ( 0.000 5.290 -17.817) 18.586 32.327 ( 0.000 10.551 -19.344) 22.034 32.579 ( 0.000 14.792 7.210) 16.456 33.522 ( 0.000 -6.293 -4.557) 7.770 34.632 ( 0.000 -15.015 7.229) 16.664 34.778 ( 0.000 -23.592 32.098) 39.836 ======================= Grid point 154 (52/200) ======================= q-point: ( 0.11 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 16.482 30.002 12.723) 36.520 1.967 ( 11.408 32.174 15.203) 37.369 3.324 ( 24.392 50.203 25.668) 61.434 4.464 ( 5.558 22.925 -7.161) 24.652 4.812 ( -8.207 6.831 0.245) 10.680 5.110 ( -12.259 7.506 -8.631) 16.767 5.322 ( -11.786 17.017 -1.849) 20.782 5.927 ( -4.784 19.325 -0.916) 19.929 6.173 ( -16.127 -0.115 12.930) 20.671 7.013 ( 13.577 -2.467 -7.170) 15.551 7.303 ( 13.873 -9.328 -4.468) 17.304 7.989 ( -9.950 -7.175 -1.614) 12.373 19.214 ( 1.627 -0.210 11.756) 11.870 19.631 ( 0.047 -3.567 4.119) 5.449 20.652 ( -3.830 -7.559 -1.957) 8.697 21.027 ( -13.230 -3.858 2.259) 13.965 21.526 ( 9.020 -7.878 -8.202) 14.515 21.791 ( -2.702 -23.230 -1.289) 23.422 22.202 ( -12.888 20.936 -0.531) 24.590 22.980 ( -6.575 2.140 -1.435) 7.062 23.174 ( 5.439 4.619 5.596) 9.068 24.063 ( -7.392 10.212 -8.434) 15.167 25.477 ( 2.799 -31.831 2.116) 32.024 26.067 ( -15.407 -14.766 -0.675) 21.351 27.846 ( 35.252 -9.855 -5.429) 37.004 28.795 ( -1.287 -7.042 0.075) 7.159 29.029 ( 9.620 -20.835 -4.248) 23.339 29.167 ( 5.749 -8.208 -6.390) 11.885 30.770 ( 2.710 18.194 3.220) 18.674 31.623 ( -2.870 9.214 0.240) 9.654 32.035 ( 1.650 5.616 -16.220) 17.244 32.321 ( -0.607 10.699 -19.301) 22.076 32.595 ( 1.840 14.087 8.865) 16.746 33.546 ( 2.054 -4.975 -5.164) 7.459 34.518 ( -13.907 -10.558 25.705) 31.074 34.689 ( -4.579 -19.734 14.773) 25.073 ======================= Grid point 155 (53/200) ======================= q-point: ( 0.22 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 23.926 21.225 14.719) 35.207 2.342 ( 25.085 23.970 8.972) 35.837 3.910 ( 33.764 41.698 19.617) 57.128 4.546 ( -6.360 11.879 -3.477) 13.916 4.646 ( 0.334 15.608 -3.966) 16.108 4.817 ( -16.703 6.182 -6.259) 18.878 5.079 ( -12.402 16.529 0.738) 20.678 5.654 ( -18.241 5.976 14.637) 24.139 5.987 ( -6.877 19.238 -4.029) 20.823 7.244 ( 3.983 -5.462 -4.634) 8.196 7.490 ( 4.004 -6.405 -10.668) 13.071 7.816 ( -1.956 -6.599 1.766) 7.105 19.271 ( 4.425 3.066 9.659) 11.058 19.638 ( 0.616 -5.519 4.788) 7.333 20.559 ( -5.437 -7.766 -1.611) 9.615 20.789 ( -11.316 -1.163 3.708) 11.964 21.665 ( 2.194 -13.366 -6.715) 15.118 21.748 ( 2.106 -14.641 -3.940) 15.308 21.931 ( -14.028 18.201 -0.495) 22.985 22.812 ( -10.469 0.755 -6.589) 12.393 23.259 ( 3.342 7.987 6.477) 10.813 23.884 ( -10.466 10.177 -4.462) 15.264 25.550 ( 4.515 -35.763 1.277) 36.069 25.884 ( -4.595 -25.087 2.080) 25.589 28.374 ( 17.972 -15.134 -6.499) 24.378 28.787 ( 0.037 -5.448 1.429) 5.632 29.225 ( 10.966 -18.900 -6.726) 22.863 29.361 ( 12.882 -15.467 -8.613) 21.894 30.845 ( 5.087 17.400 2.417) 18.289 31.543 ( -5.378 10.046 -2.238) 11.612 32.077 ( 2.529 6.437 -13.364) 15.047 32.302 ( -1.419 10.621 -17.880) 20.845 32.656 ( 4.569 13.066 11.685) 18.115 33.564 ( -1.917 0.798 -2.725) 3.426 34.219 ( -12.564 -4.698 30.823) 33.616 34.614 ( -4.190 -17.353 5.567) 18.700 ======================= Grid point 156 (54/200) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 28.482 13.108 12.650) 33.810 2.847 ( 25.974 16.222 8.059) 31.666 4.265 ( -11.031 16.471 5.440) 20.557 4.432 ( -10.961 13.730 -2.044) 17.687 4.590 ( 2.339 11.563 1.504) 11.892 4.681 ( 6.423 18.764 6.854) 20.984 4.966 ( 4.978 15.467 -5.839) 17.265 5.393 ( -4.183 11.414 13.056) 17.839 5.825 ( -10.122 23.166 -5.186) 25.808 6.941 ( -28.026 -0.192 1.647) 28.075 7.669 ( 11.762 -5.929 -12.877) 18.420 7.893 ( 4.943 -8.302 -1.100) 9.725 19.382 ( 6.834 4.301 7.948) 11.330 19.646 ( -0.079 -5.637 5.300) 7.737 20.458 ( -4.595 -6.973 -0.325) 8.357 20.588 ( -9.391 1.920 3.360) 10.157 21.610 ( -3.977 -17.761 -2.042) 18.315 21.695 ( -9.677 6.703 -0.717) 11.794 21.897 ( 9.932 -5.534 -10.436) 15.433 22.589 ( -12.368 -1.229 -11.086) 16.654 23.316 ( 2.993 10.620 6.962) 13.047 23.681 ( -10.069 11.674 0.339) 15.420 25.643 ( 4.916 -38.678 0.674) 38.995 25.837 ( -1.468 -33.428 1.522) 33.495 28.594 ( 6.932 -9.928 -2.662) 12.398 28.782 ( -0.826 -4.393 2.005) 4.899 29.445 ( 10.966 -20.825 -9.414) 25.348 29.581 ( 8.586 -20.281 -9.503) 23.987 30.963 ( 6.948 16.122 1.076) 17.589 31.420 ( -7.271 11.298 -3.297) 13.834 32.128 ( 2.702 7.421 -11.511) 13.960 32.268 ( -1.995 9.985 -15.091) 18.205 32.773 ( 7.574 12.930 14.050) 20.541 33.422 ( -11.903 10.353 10.735) 19.081 34.127 ( 2.334 -8.765 15.216) 17.714 34.516 ( -6.005 -15.546 3.626) 17.056 ======================= Grid point 157 (55/200) ======================= q-point: ( 0.44 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.289 ( 17.571 8.062 9.348) 21.473 3.310 ( 18.123 5.193 13.168) 22.996 4.020 ( -9.487 20.973 2.540) 23.158 4.117 ( -16.379 18.990 2.281) 25.181 4.528 ( 1.400 3.523 -2.722) 4.667 4.663 ( -9.943 4.314 4.302) 11.661 5.293 ( 17.649 23.092 -5.978) 29.673 5.561 ( -4.402 25.453 -0.154) 25.831 5.692 ( 20.724 14.460 6.292) 26.042 6.322 ( -34.556 7.548 5.973) 35.872 7.858 ( 7.242 -7.236 -9.486) 13.957 7.937 ( -0.804 -8.024 -5.410) 9.711 19.518 ( 6.704 2.440 6.802) 9.857 19.618 ( -3.253 -2.307 5.934) 7.150 20.400 ( -0.870 -3.693 1.100) 3.950 20.441 ( -5.225 1.179 2.345) 5.847 21.553 ( -1.459 -12.654 -1.667) 12.846 21.569 ( -3.442 -5.380 -1.285) 6.515 22.107 ( 11.736 -4.393 -12.225) 17.507 22.345 ( -12.726 -3.069 -12.835) 18.333 23.389 ( 4.815 12.278 6.195) 14.571 23.508 ( -7.638 12.687 4.037) 15.349 25.733 ( 4.238 -39.627 0.445) 39.855 25.800 ( -2.617 -38.084 0.754) 38.181 28.693 ( 3.874 -5.829 -0.028) 6.999 28.752 ( -2.314 -4.229 1.465) 5.039 29.617 ( 6.260 -22.038 -10.001) 24.998 29.672 ( 0.790 -21.923 -9.864) 24.053 31.109 ( 8.096 14.514 -0.764) 16.636 31.268 ( -8.241 12.831 -2.558) 15.463 32.179 ( 2.561 8.332 -11.279) 14.255 32.226 ( -2.328 9.163 -12.586) 15.741 32.947 ( 10.433 13.419 16.025) 23.360 33.173 ( -12.791 13.428 16.446) 24.787 34.235 ( 7.460 -11.577 6.034) 15.036 34.384 ( -7.542 -13.610 3.494) 15.947 ======================= Grid point 162 (56/200) ======================= q-point: ( 0.00 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( 0.000 35.535 2.861) 35.650 2.585 ( 0.000 34.347 10.190) 35.827 4.049 ( 0.000 38.268 24.521) 45.451 4.873 ( 0.000 21.499 -8.098) 22.973 5.112 ( 0.000 12.311 -11.822) 17.069 5.414 ( 0.000 12.831 -15.673) 20.255 5.851 ( 0.000 17.460 13.040) 21.792 6.264 ( 0.000 10.667 -14.102) 17.682 6.412 ( 0.000 4.139 22.265) 22.646 6.750 ( 0.000 -8.373 -0.094) 8.374 7.058 ( 0.000 6.203 -1.833) 6.468 7.898 ( 0.000 -10.610 -2.929) 11.007 19.262 ( 0.000 7.292 1.333) 7.412 19.588 ( 0.000 -1.587 1.616) 2.265 20.516 ( 0.000 -9.452 -0.695) 9.477 21.117 ( 0.000 -13.916 -7.329) 15.728 21.235 ( 0.000 3.437 -2.587) 4.302 21.354 ( 0.000 -21.144 -0.833) 21.160 22.689 ( 0.000 12.762 -5.775) 14.008 23.118 ( 0.000 4.020 12.431) 13.065 23.191 ( 0.000 7.428 -0.750) 7.466 24.183 ( 0.000 -6.243 -4.288) 7.574 24.809 ( 0.000 -31.680 4.024) 31.935 25.998 ( 0.000 -19.442 -10.194) 21.953 27.424 ( 0.000 4.050 4.384) 5.968 28.493 ( 0.000 -14.827 0.403) 14.833 28.756 ( 0.000 -3.490 0.230) 3.498 28.935 ( 0.000 -10.599 -4.562) 11.539 31.089 ( 0.000 14.848 2.157) 15.004 31.867 ( 0.000 11.976 2.220) 12.180 32.074 ( 0.000 0.858 -14.994) 15.019 32.411 ( 0.000 0.283 -3.724) 3.734 32.892 ( 0.000 13.984 -1.761) 14.095 33.389 ( 0.000 -6.386 -4.394) 7.751 34.281 ( 0.000 -18.910 6.891) 20.127 34.383 ( 0.000 -16.615 19.211) 25.399 ======================= Grid point 163 (57/200) ======================= q-point: ( 0.11 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( 8.020 31.701 5.116) 33.097 2.636 ( 7.021 32.863 8.901) 34.764 4.226 ( 16.914 34.460 22.233) 44.361 4.916 ( -0.201 16.806 -10.447) 19.789 5.011 ( -5.583 13.877 -10.816) 18.459 5.296 ( -9.982 17.164 -11.643) 23.017 5.682 ( -15.332 12.107 12.385) 23.131 6.141 ( -17.466 7.713 16.233) 25.061 6.386 ( 7.758 15.582 -13.894) 22.272 7.000 ( 14.155 -1.276 6.338) 15.562 7.116 ( 7.548 -3.913 -4.515) 9.627 7.823 ( -7.190 -8.786 -2.158) 11.557 19.289 ( 2.708 6.971 1.233) 7.580 19.590 ( 0.250 -0.681 2.555) 2.656 20.477 ( -3.797 -9.264 -0.962) 10.058 20.953 ( -11.042 -4.360 -2.175) 12.069 21.319 ( -1.129 -18.091 -1.988) 18.234 21.376 ( 6.993 -9.435 -5.561) 12.994 22.582 ( -10.468 14.298 -6.823) 18.989 23.019 ( -8.400 3.491 6.717) 11.308 23.297 ( 7.660 7.101 3.395) 10.983 24.139 ( -4.555 -3.143 -4.809) 7.332 24.794 ( -1.118 -33.452 3.688) 33.674 25.703 ( -22.283 -20.546 -3.611) 30.524 27.745 ( 24.914 -1.693 -0.466) 24.976 28.548 ( 5.003 -13.593 1.328) 14.545 28.795 ( 4.145 -4.912 -0.105) 6.428 28.970 ( 3.753 -11.113 -5.047) 12.769 31.110 ( 2.150 14.608 2.029) 14.904 31.830 ( -3.380 10.673 -0.107) 11.196 32.108 ( 3.049 2.375 -12.522) 13.105 32.410 ( -0.106 0.523 -4.322) 4.354 32.894 ( 0.468 13.269 -0.248) 13.280 33.432 ( 4.146 -5.706 -4.852) 8.561 34.271 ( -1.089 -18.295 6.537) 19.459 34.296 ( -8.447 -14.041 19.267) 25.293 ======================= Grid point 164 (58/200) ======================= q-point: ( 0.22 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.748 ( 13.888 22.595 10.953) 28.694 2.883 ( 16.911 28.031 4.430) 33.035 4.571 ( 6.710 11.728 5.536) 14.602 4.727 ( -1.653 14.689 -1.764) 14.886 5.060 ( -13.752 21.802 -2.540) 25.901 5.121 ( 7.547 23.432 -3.990) 24.939 5.356 ( -14.060 11.552 3.653) 18.560 5.835 ( -13.742 13.950 13.850) 23.985 6.448 ( -1.881 22.974 -10.594) 25.368 7.162 ( 1.821 -0.954 3.276) 3.868 7.324 ( 10.383 -10.080 -6.601) 15.905 7.685 ( -3.831 -5.634 0.179) 6.816 19.362 ( 4.657 5.561 0.990) 7.320 19.598 ( 0.471 1.026 4.627) 4.763 20.390 ( -4.527 -8.143 -1.263) 9.401 20.753 ( -9.198 -1.825 0.428) 9.387 21.268 ( -2.910 -20.436 -1.114) 20.672 21.532 ( 8.475 -9.990 -7.504) 15.098 22.302 ( -18.066 16.327 -7.281) 25.416 22.804 ( -13.362 -0.570 0.994) 13.411 23.437 ( 6.343 8.853 3.279) 11.374 24.019 ( -7.342 2.426 -5.368) 9.413 24.786 ( 0.597 -37.229 3.635) 37.411 25.333 ( -14.807 -28.328 3.000) 32.105 28.179 ( 18.362 -5.456 -2.865) 19.368 28.645 ( 4.064 -8.845 2.539) 10.060 28.917 ( 8.171 -9.628 -1.039) 12.671 29.079 ( 7.215 -13.479 -5.854) 16.371 31.170 ( 4.032 13.930 1.586) 14.589 31.747 ( -5.110 9.660 -2.327) 11.174 32.176 ( 3.793 4.028 -9.664) 11.136 32.403 ( -0.671 1.361 -5.521) 5.726 32.925 ( 3.110 11.758 2.948) 12.515 33.526 ( 4.709 -3.800 -5.375) 8.094 34.093 ( -11.264 -8.810 19.276) 24.001 34.239 ( -2.390 -17.892 5.206) 18.787 ======================= Grid point 165 (59/200) ======================= q-point: ( 0.33 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 19.360 12.917 12.614) 26.472 3.224 ( 16.843 19.760 4.654) 26.378 4.432 ( -5.910 3.920 -7.873) 10.596 4.688 ( -14.948 12.456 -0.324) 19.461 4.838 ( -10.689 6.781 7.609) 14.769 5.117 ( -9.519 20.688 4.772) 23.268 5.412 ( 17.646 29.220 -3.092) 34.274 5.730 ( 7.397 20.462 9.182) 23.616 6.331 ( -9.595 24.932 -8.304) 27.976 6.975 ( -18.476 4.583 4.767) 19.624 7.527 ( 10.429 -8.191 -8.532) 15.769 7.717 ( 4.055 -7.805 -0.141) 8.797 19.456 ( 4.782 2.313 1.061) 5.417 19.604 ( -0.043 1.423 5.921) 6.090 20.332 ( -0.670 -4.149 -0.819) 4.282 20.602 ( -6.578 -0.170 1.040) 6.662 21.230 ( -0.547 -18.867 -1.141) 18.910 21.674 ( 2.507 -9.781 -3.594) 10.718 21.948 ( -13.506 10.929 -10.251) 20.173 22.528 ( -14.766 -4.666 -5.849) 16.553 23.542 ( 4.851 10.638 2.357) 11.927 23.875 ( -7.222 6.570 -3.964) 10.537 24.821 ( 2.919 -39.846 4.277) 40.181 25.120 ( -8.172 -35.388 5.467) 36.728 28.451 ( 10.434 -4.744 -1.609) 11.574 28.693 ( 0.922 -4.894 2.289) 5.481 29.086 ( 8.550 -13.757 -2.587) 16.402 29.214 ( 5.670 -16.362 -5.711) 18.234 31.263 ( 5.526 12.929 0.695) 14.078 31.637 ( -6.253 9.785 -2.808) 11.947 32.247 ( 3.411 4.798 -7.836) 9.801 32.383 ( -1.389 2.675 -6.236) 6.926 33.020 ( 6.776 10.068 5.793) 13.447 33.553 ( -3.919 2.058 -0.745) 4.489 33.936 ( -2.729 -9.999 13.686) 17.167 34.177 ( -3.974 -16.403 3.927) 17.328 ======================= Grid point 166 (60/200) ======================= q-point: ( 0.44 0.21 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.412 ( 12.041 5.365 12.874) 18.426 3.466 ( 6.365 9.035 8.310) 13.828 4.446 ( 5.193 14.082 -3.469) 15.404 4.472 ( -4.092 18.851 -1.066) 19.320 4.613 ( -7.407 4.376 -0.020) 8.603 4.801 ( -18.671 10.197 4.349) 21.714 5.785 ( 18.033 24.258 -7.073) 31.043 6.064 ( 20.349 21.714 7.123) 30.599 6.100 ( -10.815 25.842 -4.319) 28.345 6.548 ( -24.530 14.874 8.195) 29.835 7.694 ( 6.284 -8.570 -6.520) 12.468 7.759 ( -0.402 -8.657 -3.362) 9.296 19.536 ( 3.434 -0.803 2.441) 4.289 19.587 ( -1.775 -0.443 4.745) 5.086 20.375 ( 4.714 1.771 0.288) 5.044 20.484 ( -5.980 2.490 0.939) 6.545 21.273 ( 5.815 -13.884 -1.104) 15.093 21.472 ( -14.422 -4.653 -0.556) 15.164 22.000 ( 11.168 -5.495 -12.442) 17.599 22.248 ( -14.002 -6.414 -10.184) 18.464 23.636 ( 5.142 10.926 0.832) 12.104 23.745 ( -6.219 9.499 -1.426) 11.443 24.893 ( 4.461 -40.572 4.991) 41.120 24.991 ( -5.671 -39.298 5.561) 40.092 28.604 ( 5.757 -3.405 0.170) 6.691 28.680 ( -2.265 -3.314 1.436) 4.264 29.223 ( 5.218 -16.297 -4.052) 17.585 29.273 ( 0.243 -17.266 -5.030) 17.985 31.380 ( 6.514 11.756 -0.638) 13.455 31.510 ( -6.783 10.611 -2.028) 12.756 32.306 ( 2.675 4.736 -6.811) 8.716 32.351 ( -2.005 3.941 -6.434) 7.807 33.183 ( 9.890 8.513 7.444) 15.023 33.389 ( -10.920 6.677 6.769) 14.479 33.980 ( 5.148 -12.832 5.072) 14.727 34.086 ( -5.377 -14.611 3.344) 15.924 ======================= Grid point 171 (61/200) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.159 ( 0.000 32.810 -3.437) 32.990 3.253 ( 0.000 31.094 6.699) 31.807 4.594 ( 0.000 17.888 19.681) 26.596 5.212 ( 0.000 10.281 -11.062) 15.102 5.259 ( 0.000 2.735 -18.562) 18.762 5.921 ( 0.000 31.941 -9.835) 33.421 6.014 ( 0.000 1.441 15.984) 16.049 6.374 ( 0.000 2.083 -7.515) 7.798 6.497 ( 0.000 -14.110 -4.454) 14.797 6.705 ( 0.000 22.548 19.223) 29.630 7.343 ( 0.000 16.121 3.264) 16.448 7.688 ( 0.000 -8.170 -1.666) 8.338 19.474 ( 0.000 13.194 -5.618) 14.341 19.578 ( 0.000 0.804 -0.696) 1.063 20.327 ( 0.000 -8.621 -0.384) 8.630 20.818 ( 0.000 -15.114 -5.334) 16.027 20.967 ( 0.000 -16.811 -0.835) 16.832 21.359 ( 0.000 7.934 -10.870) 13.458 22.749 ( 0.000 -5.796 4.799) 7.525 23.340 ( 0.000 6.611 -0.206) 6.614 23.345 ( 0.000 16.549 5.914) 17.574 23.939 ( 0.000 -15.746 -0.627) 15.759 24.219 ( 0.000 -24.871 5.675) 25.511 25.562 ( 0.000 -23.082 -7.338) 24.221 27.501 ( 0.000 3.559 3.312) 4.862 28.301 ( 0.000 -4.791 1.327) 4.971 28.685 ( 0.000 -3.607 0.009) 3.607 28.693 ( 0.000 -12.856 -3.321) 13.278 31.335 ( 0.000 9.370 0.133) 9.371 32.056 ( 0.000 -2.814 -14.260) 14.535 32.128 ( 0.000 13.364 2.657) 13.626 32.398 ( 0.000 -0.491 2.906) 2.948 33.125 ( 0.000 8.869 -3.104) 9.397 33.278 ( 0.000 -4.205 -4.388) 6.077 33.887 ( 0.000 -19.209 6.779) 20.370 34.069 ( 0.000 -14.687 11.083) 18.399 ======================= Grid point 172 (62/200) ======================= q-point: ( 0.11 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.168 ( 0.022 28.752 1.882) 28.813 3.288 ( 5.392 30.918 3.226) 31.550 4.697 ( 8.153 15.004 13.836) 21.978 5.060 ( -12.748 2.514 -13.687) 18.873 5.330 ( 7.456 11.312 -9.520) 16.559 5.717 ( -21.485 3.313 11.794) 24.732 5.898 ( -3.964 27.571 -8.846) 29.225 6.364 ( -7.600 10.141 1.791) 12.799 6.627 ( 14.318 4.425 -0.703) 15.002 6.853 ( 11.495 -0.392 3.898) 12.144 7.323 ( -1.856 15.126 5.108) 16.072 7.663 ( -2.284 -5.049 -0.453) 5.560 19.470 ( -0.091 9.523 -5.795) 11.148 19.614 ( 3.131 4.028 0.896) 5.180 20.299 ( -2.473 -7.541 -0.897) 7.986 20.791 ( -3.163 -11.550 -4.560) 12.814 20.936 ( -2.938 -17.370 -0.900) 17.639 21.345 ( -0.525 4.190 -9.696) 10.576 22.660 ( -8.457 -5.838 1.081) 10.333 23.228 ( -10.226 15.775 3.321) 19.091 23.439 ( 6.894 6.071 1.934) 9.388 23.947 ( 0.841 -14.544 0.966) 14.601 24.197 ( -2.309 -23.338 4.111) 23.810 25.251 ( -26.475 -23.411 -3.997) 35.566 27.738 ( 19.717 0.555 1.102) 19.756 28.355 ( 5.341 -5.356 2.260) 7.894 28.704 ( 2.238 -7.874 -2.123) 8.457 28.732 ( 3.604 -8.786 -1.407) 9.600 31.353 ( 1.784 9.265 0.192) 9.437 32.006 ( -3.995 3.956 -8.337) 10.056 32.169 ( 3.109 5.283 -2.963) 6.808 32.409 ( 0.958 0.780 2.194) 2.518 33.106 ( -1.032 7.407 -2.367) 7.844 33.336 ( 5.071 -3.191 -4.230) 7.334 33.863 ( -2.560 -19.612 7.070) 21.005 34.043 ( -2.524 -12.554 10.248) 16.401 ======================= Grid point 173 (63/200) ======================= q-point: ( 0.22 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.198 ( 4.393 21.252 7.719) 23.033 3.450 ( 10.068 27.085 0.876) 28.909 4.657 ( -12.160 1.130 -10.870) 16.349 4.993 ( 5.378 12.143 6.785) 14.913 5.249 ( -22.913 -0.099 10.704) 25.290 5.543 ( 10.795 16.106 -8.258) 21.074 5.808 ( -6.481 20.246 -3.466) 21.539 6.188 ( -6.194 23.161 5.358) 24.566 6.848 ( 4.052 16.574 -10.277) 19.918 7.075 ( 12.799 -13.721 -0.963) 18.788 7.278 ( -3.265 11.274 8.540) 14.515 7.622 ( -1.074 0.661 2.292) 2.616 19.475 ( 0.636 5.178 -5.223) 7.382 19.669 ( 1.724 5.544 4.114) 7.116 20.264 ( 0.048 -3.049 -2.267) 3.800 20.695 ( -6.199 -4.999 -3.063) 8.533 20.874 ( -2.855 -18.133 -0.886) 18.377 21.373 ( 3.668 -3.988 -7.529) 9.276 22.445 ( -13.571 -4.594 -6.025) 15.543 22.919 ( -21.771 13.940 3.589) 26.099 23.574 ( 6.397 2.765 -1.198) 7.071 23.968 ( 0.907 -8.591 2.321) 8.945 24.132 ( -3.885 -23.219 1.762) 23.608 24.755 ( -21.508 -27.655 2.683) 35.137 28.110 ( 17.032 -1.925 -1.091) 17.176 28.482 ( 6.820 -5.898 3.932) 9.837 28.772 ( 4.641 -9.190 -2.930) 10.704 28.822 ( 5.386 -8.752 -0.835) 10.310 31.403 ( 3.391 8.996 0.191) 9.615 31.918 ( -5.094 6.632 -5.403) 9.956 32.234 ( 3.620 0.718 -4.945) 6.171 32.426 ( 0.643 2.582 0.456) 2.699 33.107 ( 1.384 6.117 -0.497) 6.292 33.447 ( 5.977 -3.153 -3.735) 7.721 33.786 ( -5.341 -18.295 7.961) 20.655 33.983 ( -3.411 -9.614 7.872) 12.885 ======================= Grid point 174 (64/200) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.345 ( 10.161 13.023 10.475) 19.560 3.621 ( 6.173 18.837 2.323) 19.958 4.486 ( -2.837 1.112 -7.176) 7.796 4.850 ( -16.548 2.684 5.921) 17.779 5.021 ( -3.571 14.087 -1.227) 14.584 5.458 ( -19.668 11.976 4.690) 23.500 5.884 ( 15.313 13.139 -10.696) 22.837 6.259 ( 12.224 31.268 5.655) 34.046 6.775 ( -9.345 16.836 -10.603) 21.982 7.155 ( -9.928 12.118 8.726) 17.932 7.336 ( 12.673 -8.606 -2.280) 15.487 7.633 ( 1.306 0.357 2.999) 3.291 19.492 ( 1.142 1.977 -3.055) 3.814 19.658 ( -2.788 2.779 5.320) 6.618 20.329 ( 6.285 4.108 -2.900) 8.049 20.583 ( -4.873 -2.201 -2.175) 5.773 20.858 ( 2.390 -17.170 -0.503) 17.343 21.466 ( 4.363 -8.859 -3.765) 10.568 22.133 ( -18.517 2.205 -12.541) 22.473 22.455 ( -23.144 1.497 0.926) 23.211 23.678 ( 4.478 -0.548 -4.344) 6.263 23.938 ( -4.347 0.225 -5.500) 7.014 24.107 ( 2.133 -28.244 8.725) 29.638 24.454 ( -10.733 -28.281 8.725) 31.482 28.377 ( 10.824 -2.773 -1.294) 11.248 28.584 ( 3.340 -5.079 3.390) 6.960 28.873 ( 5.372 -9.857 -1.990) 11.400 28.922 ( 4.493 -10.322 -0.722) 11.281 31.482 ( 4.726 8.644 -0.201) 9.854 31.812 ( -5.803 7.437 -3.740) 10.148 32.305 ( 3.542 -0.407 -4.975) 6.121 32.429 ( -0.439 2.961 -1.449) 3.325 33.164 ( 4.480 4.268 1.734) 6.426 33.530 ( 0.154 -3.331 -1.393) 3.614 33.690 ( -1.994 -13.657 6.957) 15.456 33.915 ( -3.713 -9.249 5.205) 11.244 ======================= Grid point 175 (65/200) ======================= q-point: ( 0.44 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( 8.837 7.491 10.817) 15.850 3.656 ( -2.521 9.683 6.749) 12.069 4.554 ( 7.547 -1.511 0.468) 7.711 4.657 ( -4.019 3.787 -0.344) 5.532 4.917 ( -3.518 19.460 -5.109) 20.424 5.064 ( -17.818 14.857 0.595) 23.207 6.205 ( 16.897 14.601 -11.081) 24.929 6.486 ( -5.294 17.019 -8.137) 19.593 6.613 ( 7.944 24.666 6.224) 26.651 6.906 ( -15.257 19.188 9.420) 26.261 7.536 ( 7.759 -5.472 -1.281) 9.580 7.631 ( -2.195 -2.734 0.913) 3.623 19.525 ( 2.388 0.345 0.190) 2.420 19.587 ( -3.883 0.634 3.372) 5.181 20.448 ( 4.611 3.339 -2.493) 6.216 20.511 ( -2.833 -0.704 -2.090) 3.590 21.022 ( 15.309 -9.220 0.476) 17.878 21.381 ( -16.791 -3.971 2.059) 17.377 21.910 ( 1.743 -3.292 -14.115) 14.598 22.095 ( -14.480 -7.848 -7.162) 17.960 23.758 ( 4.112 -2.584 -6.081) 7.782 23.843 ( -4.813 -2.271 -7.042) 8.826 24.182 ( 5.035 -25.356 11.087) 28.129 24.294 ( -6.659 -25.828 10.862) 28.800 28.537 ( 5.829 -3.316 -0.195) 6.709 28.605 ( -1.243 -4.041 1.447) 4.469 28.958 ( 2.985 -10.534 -0.891) 10.985 28.978 ( 1.005 -11.042 -0.638) 11.106 31.583 ( 5.668 8.258 -1.101) 10.077 31.697 ( -6.044 7.864 -2.347) 10.192 32.366 ( 2.750 0.468 -4.189) 5.033 32.409 ( -1.622 1.982 -3.001) 3.945 33.277 ( 7.124 1.193 3.492) 8.023 33.428 ( -7.930 -2.626 3.868) 9.206 33.743 ( 4.901 -9.523 2.436) 10.983 33.836 ( -4.489 -9.355 3.199) 10.858 ======================= Grid point 180 (66/200) ======================= q-point: ( 0.00 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.782 ( 0.000 28.291 -7.322) 29.223 3.845 ( 0.000 26.976 4.526) 27.353 4.889 ( 0.000 12.604 12.420) 17.696 5.254 ( 0.000 -3.424 -10.465) 11.011 5.266 ( 0.000 -4.471 -13.711) 14.421 6.010 ( 0.000 1.531 13.616) 13.702 6.155 ( 0.000 -16.691 0.642) 16.703 6.448 ( 0.000 1.931 -2.779) 3.384 6.558 ( 0.000 26.707 -12.869) 29.646 7.204 ( 0.000 24.840 18.868) 31.193 7.405 ( 0.000 -6.513 -7.833) 10.187 7.782 ( 0.000 13.013 8.533) 15.561 19.626 ( 0.000 4.002 -2.912) 4.949 19.785 ( 0.000 16.729 -11.537) 20.322 20.184 ( 0.000 -5.090 -0.306) 5.099 20.518 ( 0.000 -13.846 -2.870) 14.140 20.668 ( 0.000 -12.479 -1.018) 12.521 21.485 ( 0.000 1.182 -25.164) 25.192 22.594 ( 0.000 -5.033 23.294) 23.831 23.427 ( 0.000 0.898 0.360) 0.967 23.630 ( 0.000 -12.803 2.595) 13.063 23.634 ( 0.000 4.287 -3.968) 5.842 23.880 ( 0.000 -2.319 9.299) 9.584 25.077 ( 0.000 -23.785 -2.893) 23.961 27.576 ( 0.000 4.048 1.751) 4.410 28.248 ( 0.000 -2.668 -2.675) 3.778 28.438 ( 0.000 -10.383 0.856) 10.419 28.608 ( 0.000 -4.011 0.130) 4.013 31.482 ( 0.000 5.488 -1.758) 5.763 31.959 ( 0.000 -6.362 -10.718) 12.464 32.396 ( 0.000 12.519 2.192) 12.710 32.417 ( 0.000 2.569 2.772) 3.780 33.217 ( 0.000 -2.304 -4.801) 5.325 33.257 ( 0.000 4.248 -3.059) 5.235 33.531 ( 0.000 -14.631 7.246) 16.327 33.777 ( 0.000 -14.022 6.820) 15.593 ======================= Grid point 181 (67/200) ======================= q-point: ( 0.11 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.709 ( -6.398 24.391 0.852) 25.231 3.882 ( 4.021 27.232 -1.173) 27.552 4.899 ( -7.784 2.648 -4.869) 9.556 5.115 ( 0.773 6.129 4.662) 7.739 5.376 ( 4.184 -5.980 -7.657) 10.578 5.756 ( -14.715 3.673 2.690) 15.404 6.272 ( -10.349 2.444 -2.635) 10.955 6.445 ( 15.642 -11.020 5.348) 19.868 6.680 ( 6.710 21.462 -10.073) 24.640 7.156 ( -2.010 18.043 6.586) 19.312 7.463 ( 3.544 1.986 0.443) 4.087 7.770 ( -1.116 12.367 9.382) 15.563 19.611 ( -1.377 5.444 -5.582) 7.918 19.796 ( 0.492 11.508 -5.116) 12.603 20.201 ( 2.425 -1.215 -3.255) 4.237 20.529 ( 0.837 -12.890 -2.699) 13.196 20.621 ( -4.288 -13.259 -0.971) 13.969 21.449 ( -3.383 2.397 -22.409) 22.789 22.490 ( -9.800 -6.452 19.345) 22.625 23.465 ( 2.860 -1.977 -0.418) 3.502 23.511 ( -7.559 2.100 -2.744) 8.311 23.718 ( 2.008 -2.295 5.756) 6.514 23.849 ( -1.875 -9.572 5.534) 11.214 24.781 ( -26.309 -21.544 -2.300) 34.082 27.760 ( 16.162 1.679 1.186) 16.292 28.296 ( 4.737 -2.481 -1.356) 5.516 28.462 ( 2.426 -10.387 0.387) 10.674 28.642 ( 3.314 -3.966 0.225) 5.173 31.499 ( 1.741 5.543 -1.571) 6.019 31.973 ( 1.225 -5.313 -10.705) 12.014 32.303 ( -5.206 6.137 3.480) 8.768 32.489 ( 3.019 6.847 1.006) 7.550 33.189 ( -1.163 0.890 -3.631) 3.916 33.315 ( 4.287 0.672 -3.273) 5.435 33.508 ( -2.177 -14.131 7.459) 16.127 33.783 ( 0.337 -12.878 6.065) 14.239 ======================= Grid point 182 (68/200) ======================= q-point: ( 0.22 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.605 ( -3.115 18.622 5.714) 19.727 3.971 ( 3.938 23.903 -1.913) 24.300 4.631 ( -13.810 -3.928 -6.825) 15.898 5.196 ( -9.914 1.244 3.936) 10.739 5.284 ( -0.386 10.273 4.419) 11.190 5.726 ( 10.808 2.266 -12.200) 16.456 5.981 ( -18.075 2.500 2.875) 18.472 6.697 ( 7.008 4.429 -5.147) 9.759 6.822 ( 9.615 6.078 0.993) 11.418 7.172 ( 3.604 14.668 -4.827) 15.857 7.495 ( -0.379 9.219 6.078) 11.048 7.749 ( -0.970 10.293 10.404) 14.667 19.579 ( -1.780 5.477 -6.864) 8.960 19.781 ( -2.175 4.712 2.676) 5.839 20.297 ( 7.155 4.780 -7.485) 11.404 20.531 ( -1.549 -11.974 -2.804) 12.395 20.541 ( -2.130 -11.159 -0.263) 11.363 21.381 ( -2.731 2.543 -15.541) 15.983 22.257 ( -13.431 -9.417 10.158) 19.294 23.236 ( -24.388 12.241 -3.173) 27.471 23.505 ( 0.477 -4.406 -0.391) 4.449 23.670 ( -3.838 -16.841 9.491) 19.708 23.876 ( 3.292 -10.720 -0.737) 11.238 24.286 ( -19.888 -15.188 0.355) 25.026 28.086 ( 15.742 -0.594 0.133) 15.754 28.414 ( 6.669 -1.535 2.262) 7.208 28.530 ( 4.661 -11.016 -1.222) 12.024 28.721 ( 4.481 -4.060 0.539) 6.071 31.548 ( 3.359 5.718 -1.217) 6.743 31.990 ( -0.165 -0.530 -9.684) 9.700 32.223 ( -2.323 0.497 3.341) 4.099 32.516 ( -0.243 4.642 -0.771) 4.712 33.186 ( 0.920 2.141 -1.878) 2.993 33.406 ( 5.006 -1.324 -2.494) 5.748 33.459 ( -2.673 -12.211 7.274) 14.463 33.779 ( -0.903 -10.490 4.644) 11.508 ======================= Grid point 183 (69/200) ======================= q-point: ( 0.33 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.609 ( 3.418 12.824 8.231) 15.617 3.980 ( -3.469 16.237 -0.186) 16.605 4.459 ( -3.761 -3.581 0.518) 5.219 4.896 ( -13.736 1.457 0.740) 13.833 5.323 ( -1.307 14.337 -4.403) 15.054 5.625 ( -16.215 6.520 2.728) 17.688 6.009 ( 16.352 0.623 -13.272) 21.069 6.774 ( -0.550 1.547 -8.851) 9.002 6.942 ( 4.622 14.405 0.948) 15.158 7.308 ( 9.008 9.965 1.738) 13.545 7.454 ( -3.106 12.917 6.235) 14.676 7.726 ( -1.711 7.672 9.287) 12.167 19.551 ( -0.743 4.010 -4.153) 5.820 19.720 ( -4.008 3.944 3.772) 6.771 20.389 ( 0.807 -6.253 -6.048) 8.737 20.486 ( -3.063 -8.715 -3.590) 9.910 20.629 ( 13.372 2.877 -0.525) 13.688 21.367 ( 1.012 -0.697 -7.100) 7.206 21.996 ( -13.128 -10.606 -0.912) 16.901 22.600 ( -36.934 6.597 -3.142) 37.650 23.502 ( -0.019 -10.762 1.256) 10.835 23.619 ( -2.383 -18.685 1.780) 18.920 23.932 ( 2.233 -7.151 0.712) 7.525 24.055 ( -5.988 -8.994 3.591) 11.387 28.336 ( 10.030 -1.326 -0.425) 10.126 28.513 ( 3.091 -1.535 3.459) 4.886 28.648 ( 7.083 -10.186 -0.873) 12.437 28.797 ( 2.912 -4.665 0.974) 5.585 31.627 ( 4.718 5.999 -1.083) 7.709 31.943 ( -4.481 5.416 -5.215) 8.753 32.234 ( 3.062 -5.396 -0.240) 6.209 32.483 ( -3.033 0.834 -1.993) 3.724 33.221 ( 2.515 2.129 0.228) 3.303 33.403 ( -2.922 -7.749 5.612) 10.004 33.507 ( 5.138 -3.791 -0.826) 6.438 33.746 ( -2.542 -8.204 3.231) 9.176 ======================= Grid point 184 (70/200) ======================= q-point: ( 0.44 0.36 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.716 ( 7.114 9.574 8.470) 14.629 3.865 ( -7.646 10.942 4.896) 14.218 4.475 ( 5.962 -5.649 3.473) 8.918 4.666 ( -11.725 -2.961 0.836) 12.122 5.289 ( 1.161 17.126 -7.331) 18.665 5.393 ( -8.538 17.189 -4.112) 19.629 6.333 ( 16.596 -1.568 -14.018) 21.781 6.625 ( -12.830 -3.869 -13.652) 19.130 7.102 ( 10.407 22.264 6.796) 25.499 7.292 ( -8.359 18.067 9.790) 22.184 7.536 ( 8.473 5.187 2.495) 10.243 7.667 ( -4.798 5.462 6.378) 9.671 19.564 ( 2.293 3.802 -0.545) 4.473 19.634 ( -4.507 4.358 2.155) 6.629 20.396 ( 0.838 -8.855 -4.357) 9.904 20.429 ( -2.478 -7.790 -3.918) 9.065 20.987 ( 21.857 5.820 0.749) 22.631 21.339 ( -8.968 0.575 2.455) 9.315 21.801 ( -3.388 -8.512 -11.334) 14.574 21.985 ( -22.539 -2.924 -6.693) 23.693 23.518 ( 1.747 -13.634 1.237) 13.801 23.565 ( -2.917 -15.901 0.654) 16.180 23.964 ( 1.327 -6.460 2.158) 6.939 23.991 ( -1.728 -8.253 3.249) 9.036 28.479 ( 5.032 -1.884 0.270) 5.380 28.535 ( -0.818 -2.166 1.671) 2.855 28.768 ( 4.770 -7.750 0.821) 9.138 28.821 ( -0.647 -5.911 1.216) 6.069 31.727 ( 5.636 6.309 -1.425) 8.579 31.840 ( -5.837 6.466 -2.489) 9.059 32.315 ( 4.832 -5.307 -2.103) 7.479 32.407 ( -4.551 -2.813 -2.411) 5.869 33.278 ( 3.304 0.237 2.187) 3.970 33.343 ( -3.318 -3.409 3.974) 6.199 33.602 ( 4.653 -5.177 0.479) 6.977 33.684 ( -3.787 -6.530 1.857) 7.774 ======================= Grid point 189 (71/200) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.309 ( 0.000 23.471 -9.771) 25.424 4.349 ( 0.000 22.445 2.694) 22.606 5.034 ( 0.000 -6.529 -3.108) 7.231 5.074 ( 0.000 -13.411 -12.996) 18.675 5.217 ( 0.000 8.598 8.834) 12.327 5.813 ( 0.000 -16.649 2.467) 16.831 6.100 ( 0.000 7.048 6.462) 9.562 6.422 ( 0.000 -4.945 1.747) 5.245 6.981 ( 0.000 15.125 -10.586) 18.461 7.294 ( 0.000 -4.173 -8.759) 9.702 7.662 ( 0.000 19.013 15.199) 24.341 7.974 ( 0.000 4.433 9.489) 10.473 19.741 ( 0.000 7.279 -4.868) 8.757 20.048 ( 0.000 2.443 -15.087) 15.284 20.131 ( 0.000 0.056 -0.430) 0.433 20.299 ( 0.000 -6.266 -0.488) 6.285 20.522 ( 0.000 3.416 -3.390) 4.812 21.300 ( 0.000 -18.430 -26.118) 31.966 22.692 ( 0.000 14.400 25.715) 29.472 23.365 ( 0.000 -6.353 3.807) 7.407 23.425 ( 0.000 -8.524 4.263) 9.530 23.508 ( 0.000 -7.988 -0.687) 8.017 24.087 ( 0.000 13.198 2.951) 13.524 24.640 ( 0.000 -18.107 0.115) 18.107 27.679 ( 0.000 6.425 -0.198) 6.428 28.077 ( 0.000 -11.998 -4.867) 12.948 28.376 ( 0.000 2.073 3.271) 3.872 28.524 ( 0.000 -4.165 0.660) 4.217 31.580 ( 0.000 4.638 -3.243) 5.659 31.818 ( 0.000 -7.067 -7.071) 9.996 32.498 ( 0.000 5.152 0.608) 5.187 32.602 ( 0.000 6.213 0.103) 6.214 33.162 ( 0.000 -2.064 -1.163) 2.369 33.303 ( 0.000 0.243 -2.333) 2.346 33.348 ( 0.000 -3.020 4.571) 5.478 33.504 ( 0.000 -12.372 5.074) 13.372 ======================= Grid point 190 (72/200) ======================= q-point: ( 0.11 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.161 ( -11.397 20.042 0.189) 23.057 4.393 ( 2.820 22.985 -4.156) 23.528 4.796 ( -16.520 -10.304 -5.438) 20.216 5.156 ( 1.878 -13.850 -7.078) 15.667 5.343 ( 11.702 13.499 6.076) 18.870 5.819 ( -4.798 -0.773 -5.090) 7.038 6.134 ( 5.060 -6.956 6.486) 10.773 6.309 ( -7.701 -5.856 5.566) 11.161 7.063 ( 6.835 14.344 -10.902) 19.269 7.317 ( 2.209 0.181 -9.826) 10.073 7.685 ( 1.998 15.977 15.263) 22.186 7.958 ( -1.507 4.605 10.322) 11.403 19.741 ( -0.298 7.699 -6.119) 9.839 19.965 ( -5.905 4.607 -4.951) 8.978 20.171 ( 2.499 -6.913 -6.278) 9.666 20.307 ( -1.071 -9.811 -0.975) 9.917 20.528 ( 2.418 10.501 -4.801) 11.797 21.308 ( 0.619 -16.165 -25.171) 29.922 22.563 ( -12.603 14.097 24.392) 30.864 23.339 ( -3.573 -9.418 3.737) 10.743 23.400 ( -1.924 -8.374 4.422) 9.663 23.543 ( 2.814 -10.323 -0.286) 10.703 23.989 ( -10.799 12.301 2.243) 16.522 24.426 ( -18.489 -12.913 -1.015) 22.575 27.816 ( 12.592 4.154 0.184) 13.261 28.137 ( 5.960 -10.846 -3.753) 12.932 28.404 ( 2.688 2.306 3.088) 4.699 28.558 ( 3.315 -4.213 0.630) 5.398 31.599 ( 1.968 4.781 -2.991) 5.973 31.840 ( 2.301 -6.967 -6.873) 10.053 32.424 ( -6.106 6.207 1.229) 8.793 32.606 ( -1.067 2.286 -0.907) 2.681 33.175 ( 1.592 -0.146 -0.389) 1.645 33.323 ( 1.550 -0.276 -0.899) 1.813 33.344 ( 0.079 -2.190 3.298) 3.960 33.526 ( 1.943 -11.976 4.369) 12.895 ======================= Grid point 191 (73/200) ======================= q-point: ( 0.22 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.955 ( -8.519 15.773 4.160) 18.403 4.391 ( -7.318 10.871 -4.515) 13.860 4.528 ( -6.659 0.581 0.045) 6.684 5.105 ( -8.858 -9.394 -2.660) 13.183 5.543 ( 6.479 12.294 -2.085) 14.052 5.746 ( 1.734 1.796 -9.501) 9.823 5.998 ( -11.110 0.258 3.485) 11.647 6.412 ( 9.789 -16.414 3.969) 19.519 7.195 ( 6.546 14.689 -8.822) 18.342 7.379 ( 4.442 4.956 -9.134) 11.301 7.718 ( 0.855 12.228 14.188) 18.750 7.921 ( -2.281 4.804 11.757) 12.903 19.713 ( -2.759 7.843 -7.127) 10.951 19.875 ( -2.942 5.041 0.822) 5.895 20.186 ( -2.013 -12.056 -4.359) 12.977 20.272 ( -0.377 -11.771 -1.618) 11.888 20.641 ( 8.729 15.577 -7.381) 19.321 21.319 ( 0.577 -10.969 -22.212) 24.780 22.248 ( -18.754 10.896 19.979) 29.489 23.132 ( -22.121 -21.411 5.041) 31.195 23.362 ( -1.644 -5.432 3.364) 6.597 23.595 ( 1.442 -9.290 -1.332) 9.495 23.700 ( -12.887 11.140 0.663) 17.047 24.115 ( -11.827 -5.857 -1.345) 13.266 28.090 ( 14.169 1.259 0.561) 14.236 28.289 ( 9.285 -8.616 -1.282) 12.731 28.468 ( 3.600 2.718 2.653) 5.233 28.636 ( 4.233 -4.385 0.673) 6.132 31.655 ( 3.781 5.178 -2.394) 6.844 31.904 ( 4.147 -6.432 -6.432) 9.998 32.294 ( -6.972 5.743 1.707) 9.192 32.545 ( -4.991 -2.741 -1.700) 5.942 33.222 ( 3.036 2.904 0.461) 4.227 33.331 ( -0.023 -0.710 4.107) 4.168 33.381 ( 2.941 -1.589 -1.275) 3.577 33.562 ( 1.412 -10.614 3.104) 11.148 ======================= Grid point 192 (74/200) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.863 ( -0.765 11.948 6.135) 13.453 4.218 ( -6.544 1.532 -2.255) 7.090 4.422 ( -7.983 5.876 5.662) 11.416 4.855 ( -15.300 -6.296 -0.137) 16.545 5.569 ( -0.585 10.100 -8.675) 13.327 5.817 ( -0.283 11.641 -2.444) 11.898 5.953 ( 9.101 -3.955 -10.153) 14.196 6.515 ( 0.022 -16.728 -5.044) 17.472 7.326 ( 7.350 14.942 -2.194) 16.796 7.493 ( 7.289 5.749 -3.507) 9.924 7.704 ( -2.454 11.274 11.858) 16.546 7.868 ( -3.363 4.532 11.285) 12.618 19.666 ( -1.122 7.470 -3.596) 8.366 19.832 ( -2.339 6.901 0.715) 7.321 20.142 ( -1.157 -13.259 -1.817) 13.433 20.268 ( -1.188 -11.593 -2.863) 12.001 20.855 ( 13.561 14.017 -6.919) 20.694 21.344 ( 2.498 -5.344 -16.192) 17.233 21.887 ( -17.621 3.896 11.700) 21.507 22.520 ( -36.111 -14.976 0.674) 39.099 23.346 ( 0.051 -2.369 2.934) 3.771 23.506 ( -5.345 6.783 0.562) 8.654 23.677 ( 3.099 -13.621 0.225) 13.971 23.939 ( -7.207 -7.241 -0.960) 10.262 28.325 ( 9.888 0.553 0.687) 9.927 28.474 ( 9.211 -6.813 0.661) 11.476 28.527 ( 2.288 2.646 2.332) 4.204 28.702 ( 2.242 -4.737 0.925) 5.322 31.743 ( 5.253 5.752 -1.788) 7.993 31.989 ( 3.780 -3.167 -6.176) 7.903 32.169 ( -5.164 2.073 2.172) 5.973 32.429 ( -6.731 -5.849 -1.921) 9.122 33.278 ( 2.522 4.174 0.963) 4.970 33.333 ( 0.208 0.574 3.620) 3.672 33.442 ( 3.258 -3.107 -0.474) 4.527 33.573 ( -0.310 -8.637 2.029) 8.877 ======================= Grid point 193 (75/200) ======================= q-point: ( 0.44 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.923 ( 6.726 10.465 6.408) 13.994 4.095 ( -9.276 11.156 2.948) 14.805 4.337 ( 4.262 -7.510 5.127) 10.043 4.549 ( -15.253 -8.131 2.253) 17.431 5.623 ( 5.875 15.779 -9.630) 19.397 5.748 ( -5.909 17.461 -6.768) 19.637 6.193 ( 13.265 -10.787 -13.473) 21.768 6.419 ( -9.212 -14.119 -11.361) 20.329 7.477 ( 7.957 13.988 4.487) 16.707 7.609 ( -3.437 11.911 8.950) 15.290 7.657 ( 5.241 5.025 3.317) 7.983 7.782 ( -5.669 4.108 8.187) 10.772 19.686 ( 3.144 8.204 -0.690) 8.813 19.766 ( -4.367 8.522 0.570) 9.593 20.157 ( 2.530 -13.093 -2.313) 13.534 20.220 ( -3.398 -11.811 -2.932) 12.635 21.163 ( 17.563 9.628 -2.575) 20.194 21.401 ( -0.757 3.877 -3.548) 5.309 21.624 ( -4.959 -6.564 -2.890) 8.719 21.883 ( -27.024 -8.311 -4.783) 28.675 23.365 ( 1.998 -0.424 2.762) 3.435 23.421 ( -3.682 1.990 2.129) 4.696 23.743 ( 3.693 -13.059 -0.338) 13.575 23.824 ( -4.889 -10.526 -0.682) 11.626 28.471 ( 5.336 1.253 1.173) 5.605 28.534 ( -1.194 2.052 1.556) 2.838 28.633 ( 6.177 -5.784 1.600) 8.612 28.709 ( -1.721 -5.249 1.307) 5.676 31.854 ( 6.156 6.416 -1.513) 9.020 31.971 ( -5.326 6.539 -2.597) 8.824 32.172 ( 5.136 -7.883 -0.955) 9.457 32.295 ( -6.935 -7.539 -1.939) 10.425 33.316 ( 1.419 3.634 1.730) 4.268 33.333 ( -0.354 2.170 2.659) 3.450 33.503 ( 2.910 -4.816 0.405) 5.641 33.551 ( -1.920 -6.635 1.186) 7.008 ======================= Grid point 198 (76/200) ======================= q-point: ( 0.00 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.721 ( 0.000 -6.209 -9.190) 11.091 4.721 ( 0.000 6.209 -9.190) 11.091 4.778 ( 0.000 -4.793 -1.878) 5.148 4.778 ( 0.000 4.793 -1.878) 5.148 5.487 ( 0.000 -15.168 5.863) 16.262 5.487 ( 0.000 15.168 5.863) 16.262 6.270 ( 0.000 -8.872 3.167) 9.420 6.270 ( 0.000 8.872 3.167) 9.420 7.196 ( 0.000 -6.702 -8.948) 11.179 7.196 ( 0.000 6.702 -8.948) 11.179 7.941 ( 0.000 -7.818 11.563) 13.958 7.941 ( 0.000 7.818 11.563) 13.958 19.916 ( 0.000 -9.434 -7.340) 11.953 19.916 ( 0.000 9.434 -7.340) 11.953 20.184 ( 0.000 -4.909 -0.949) 4.999 20.184 ( 0.000 4.909 -0.949) 4.999 20.853 ( 0.000 -22.739 -15.587) 27.569 20.853 ( 0.000 22.739 -15.587) 27.569 23.067 ( 0.000 -19.523 15.718) 25.064 23.067 ( 0.000 19.523 15.718) 25.064 23.391 ( 0.000 -3.039 0.143) 3.042 23.391 ( 0.000 3.039 0.143) 3.042 24.341 ( 0.000 -12.378 1.106) 12.428 24.341 ( 0.000 12.378 1.106) 12.428 27.846 ( 0.000 -9.994 -2.403) 10.278 27.846 ( 0.000 9.994 -2.403) 10.278 28.441 ( 0.000 -3.831 1.619) 4.159 28.441 ( 0.000 3.831 1.619) 4.159 31.685 ( 0.000 -5.847 -4.786) 7.556 31.685 ( 0.000 5.847 -4.786) 7.556 32.607 ( 0.000 -4.449 -0.965) 4.553 32.607 ( 0.000 4.449 -0.965) 4.553 33.225 ( 0.000 -7.391 1.822) 7.613 33.225 ( 0.000 7.391 1.822) 7.613 33.347 ( 0.000 -2.136 1.811) 2.800 33.347 ( 0.000 2.136 1.811) 2.800 ======================= Grid point 200 (77/200) ======================= q-point: ( 0.11 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.526 ( -15.111 -15.758 -1.386) 21.876 4.526 ( -15.111 15.758 -1.386) 21.876 4.819 ( 2.491 -18.823 -6.310) 20.009 4.819 ( 2.491 18.823 -6.310) 20.009 5.634 ( 10.599 -14.009 0.035) 17.567 5.634 ( 10.599 14.009 0.035) 17.567 6.167 ( -8.090 -6.914 5.528) 11.992 6.167 ( -8.090 6.914 5.528) 11.992 7.263 ( 5.843 -5.726 -9.792) 12.760 7.263 ( 5.843 5.726 -9.792) 12.760 7.934 ( -0.703 -7.118 12.332) 14.256 7.934 ( -0.703 7.118 12.332) 14.256 19.919 ( -0.026 -9.018 -7.880) 11.976 19.919 ( -0.026 9.018 -7.880) 11.976 20.132 ( -4.328 -6.149 0.373) 7.529 20.132 ( -4.328 6.149 0.373) 7.529 20.898 ( 4.195 -21.592 -15.432) 26.870 20.898 ( 4.195 21.592 -15.432) 26.870 22.961 ( -11.244 -22.181 15.639) 29.376 22.961 ( -11.244 22.181 15.639) 29.376 23.390 ( 0.072 -4.370 0.184) 4.374 23.390 ( 0.072 4.370 0.184) 4.374 24.212 ( -11.925 -9.741 -0.213) 15.399 24.212 ( -11.925 9.741 -0.213) 15.399 27.939 ( 8.915 -8.027 -1.519) 12.092 27.939 ( 8.915 8.027 -1.519) 12.092 28.473 ( 3.075 -4.019 1.511) 5.281 28.473 ( 3.075 4.019 1.511) 5.281 31.707 ( 2.251 -5.958 -4.505) 7.802 31.707 ( 2.251 5.958 -4.505) 7.802 32.554 ( -5.081 -5.917 -0.751) 7.835 32.554 ( -5.081 5.917 -0.751) 7.835 33.261 ( 3.286 -7.059 1.383) 7.908 33.261 ( 3.286 7.059 1.383) 7.908 33.353 ( 0.663 -3.107 1.932) 3.719 33.353 ( 0.663 3.107 1.932) 3.719 ======================= Grid point 202 (78/200) ======================= q-point: ( 0.22 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.245 ( -12.370 -12.619 1.927) 17.775 4.245 ( -12.370 12.619 1.927) 17.775 4.831 ( -3.136 -16.569 -3.856) 17.298 4.831 ( -3.136 16.569 -3.856) 17.298 5.731 ( -0.662 -5.433 -9.004) 10.537 5.731 ( -0.662 5.433 -9.004) 10.537 6.108 ( 3.236 -11.928 6.779) 14.096 6.108 ( 3.236 11.928 6.779) 14.096 7.385 ( 6.456 -4.297 -9.078) 11.939 7.385 ( 6.456 4.297 -9.078) 11.939 7.914 ( -1.417 -5.556 13.268) 14.454 7.914 ( -1.417 5.556 13.268) 14.454 19.892 ( -2.830 -8.227 -7.108) 11.235 19.892 ( -2.830 8.227 -7.108) 11.235 20.070 ( -1.488 -6.255 1.605) 6.627 20.070 ( -1.488 6.255 1.605) 6.627 20.999 ( 6.092 -18.146 -14.647) 24.103 20.999 ( 6.092 18.146 -14.647) 24.103 22.631 ( -22.489 -24.013 13.387) 35.519 22.631 ( -22.489 24.013 13.387) 35.519 23.398 ( 0.841 -6.862 0.516) 6.933 23.398 ( 0.841 6.862 0.516) 6.933 23.954 ( -13.174 -10.536 -1.593) 16.944 23.954 ( -13.174 10.536 -1.593) 16.944 28.150 ( 11.878 -4.838 0.072) 12.826 28.150 ( 11.878 4.838 0.072) 12.826 28.545 ( 3.905 -4.378 1.333) 6.016 28.545 ( 3.905 4.378 1.333) 6.016 31.770 ( 4.276 -6.254 -3.778) 8.465 31.770 ( 4.276 6.254 -3.778) 8.465 32.431 ( -7.268 -7.111 -0.575) 10.184 32.431 ( -7.268 7.111 -0.575) 10.184 33.328 ( 3.139 -4.816 0.650) 5.785 33.328 ( 3.139 4.816 0.650) 5.785 33.374 ( 1.516 -5.740 2.210) 6.335 33.374 ( 1.516 5.740 2.210) 6.335 ======================= Grid point 204 (79/200) ======================= q-point: ( 0.33 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.088 ( -3.301 -9.902 3.624) 11.049 4.088 ( -3.301 9.902 3.624) 11.049 4.655 ( -14.289 -12.360 1.181) 18.930 4.655 ( -14.289 12.360 1.181) 18.930 5.765 ( 5.903 -9.081 -11.536) 15.824 5.765 ( 5.903 9.081 -11.536) 15.824 6.167 ( 0.378 -16.895 -2.035) 17.021 6.167 ( 0.378 16.895 -2.035) 17.021 7.515 ( 7.215 -3.846 -3.653) 8.955 7.515 ( 7.215 3.846 -3.653) 8.955 7.872 ( -3.092 -4.366 12.145) 13.271 7.872 ( -3.092 4.366 12.145) 13.271 19.851 ( -0.393 -9.659 -3.775) 10.378 19.851 ( -0.393 9.659 -3.775) 10.378 20.047 ( -1.894 -8.718 0.371) 8.929 20.047 ( -1.894 8.718 0.371) 8.929 21.137 ( 8.558 -13.051 -12.063) 19.725 21.137 ( 8.558 13.051 -12.063) 19.725 22.144 ( -26.197 -18.366 7.781) 32.927 22.144 ( -26.197 18.366 7.781) 32.927 23.426 ( 2.153 -9.129 0.826) 9.415 23.426 ( 2.153 9.129 0.826) 9.415 23.735 ( -9.506 -12.042 -1.001) 15.375 23.735 ( -9.506 12.042 -1.001) 15.375 28.367 ( 10.150 -3.664 1.147) 10.852 28.367 ( 10.150 3.664 1.147) 10.852 28.605 ( 1.933 -4.610 1.309) 5.167 28.605 ( 1.933 4.610 1.309) 5.167 31.869 ( 5.879 -6.634 -2.860) 9.314 31.869 ( 5.879 6.634 -2.860) 9.314 32.284 ( -7.778 -7.376 -0.754) 10.746 32.284 ( -7.778 7.376 -0.754) 10.746 33.375 ( 1.880 -2.924 0.785) 3.564 33.375 ( 1.880 2.924 0.785) 3.564 33.406 ( 1.438 -7.019 1.836) 7.396 33.406 ( 1.438 7.019 1.836) 7.396 ======================= Grid point 206 (80/200) ======================= q-point: ( 0.44 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.129 ( 7.392 -9.087 4.324) 12.486 4.129 ( 7.392 9.087 4.324) 12.486 4.354 ( -15.037 -10.230 3.781) 18.576 4.354 ( -15.037 10.230 3.781) 18.576 5.930 ( 9.824 -14.064 -11.755) 20.796 5.930 ( 9.824 14.064 -11.755) 20.796 6.100 ( -6.875 -16.494 -8.826) 19.930 6.100 ( -6.875 16.494 -8.826) 19.930 7.660 ( 7.444 -3.916 3.344) 9.051 7.660 ( 7.444 3.916 3.344) 9.051 7.789 ( -5.639 -3.982 8.721) 11.123 7.789 ( -5.639 3.982 8.721) 11.123 19.889 ( 4.079 -10.354 -1.632) 11.248 19.889 ( 4.079 10.354 -1.632) 11.248 19.982 ( -4.699 -9.969 -0.531) 11.033 19.982 ( -4.699 9.969 -0.531) 11.033 21.346 ( 13.609 -7.949 -6.787) 17.160 21.346 ( 13.609 7.949 -6.787) 17.160 21.679 ( -21.030 -9.830 0.465) 23.219 21.679 ( -21.030 9.830 0.465) 23.219 23.484 ( 3.978 -10.723 0.725) 11.461 23.484 ( 3.978 10.723 0.725) 11.461 23.583 ( -6.357 -11.681 0.071) 13.299 23.583 ( -6.357 11.681 0.071) 13.299 28.528 ( 6.322 -4.087 1.511) 7.678 28.528 ( 6.322 4.087 1.511) 7.678 28.608 ( -1.909 -4.533 1.448) 5.127 28.608 ( -1.909 4.533 1.448) 5.127 31.994 ( 6.971 -6.995 -1.974) 10.071 31.994 ( 6.971 6.995 -1.974) 10.071 32.135 ( -7.593 -7.264 -1.247) 10.582 32.135 ( -7.593 7.264 -1.247) 10.582 33.406 ( 1.239 -4.009 1.149) 4.350 33.406 ( 1.239 4.009 1.149) 4.350 33.419 ( -0.066 -5.589 1.401) 5.762 33.419 ( -0.066 5.589 1.401) 5.762 ======================= Grid point 270 (81/200) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 0.000 37.674) 37.674 1.629 ( 0.000 0.000 42.830) 42.830 2.639 ( 0.000 0.000 65.266) 65.266 3.630 ( 0.000 0.000 -16.056) 16.056 4.717 ( 0.000 0.000 -33.961) 33.961 4.731 ( 0.000 0.000 6.574) 6.574 5.241 ( 0.000 0.000 24.678) 24.678 5.345 ( 0.000 0.000 -6.258) 6.258 6.484 ( 0.000 0.000 -28.842) 28.842 6.981 ( 0.000 0.000 24.010) 24.010 7.107 ( 0.000 0.000 -14.875) 14.875 8.187 ( 0.000 0.000 -6.413) 6.413 19.853 ( 0.000 0.000 11.130) 11.130 20.343 ( 0.000 0.000 3.542) 3.542 20.755 ( 0.000 0.000 -5.717) 5.717 21.220 ( 0.000 0.000 -20.230) 20.230 21.621 ( 0.000 0.000 10.269) 10.269 21.917 ( 0.000 0.000 6.479) 6.479 22.436 ( 0.000 0.000 -7.364) 7.364 22.665 ( 0.000 0.000 -8.962) 8.962 23.214 ( 0.000 0.000 7.580) 7.580 23.303 ( 0.000 0.000 8.654) 8.654 26.205 ( 0.000 0.000 3.298) 3.298 26.469 ( 0.000 0.000 -2.101) 2.101 27.394 ( 0.000 0.000 11.028) 11.028 29.002 ( 0.000 0.000 1.415) 1.415 29.102 ( 0.000 0.000 -24.228) 24.228 29.307 ( 0.000 0.000 -9.694) 9.694 30.325 ( 0.000 0.000 7.699) 7.699 30.993 ( 0.000 0.000 -6.332) 6.332 31.502 ( 0.000 0.000 2.743) 2.743 31.749 ( 0.000 0.000 -2.398) 2.398 32.639 ( 0.000 0.000 17.021) 17.021 33.552 ( 0.000 0.000 -7.413) 7.413 35.150 ( 0.000 0.000 12.084) 12.084 36.060 ( 0.000 0.000 -8.065) 8.065 ======================= Grid point 271 (82/200) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 19.562 0.000 32.604) 38.022 1.740 ( 13.212 0.000 36.906) 39.200 2.948 ( 28.544 0.000 57.822) 64.484 3.689 ( 5.980 0.000 -15.398) 16.519 4.600 ( -10.249 0.000 -30.994) 32.645 4.677 ( -5.459 0.000 6.693) 8.637 5.165 ( -7.844 0.000 24.350) 25.582 5.305 ( -4.075 0.000 -6.384) 7.574 6.491 ( -16.972 0.000 -0.529) 16.980 6.720 ( 6.748 0.000 -18.225) 19.434 7.423 ( 13.917 0.000 -3.118) 14.262 8.090 ( -9.147 0.000 -5.183) 10.513 19.737 ( -9.552 0.000 15.734) 18.407 20.352 ( 0.908 0.000 3.621) 3.733 20.747 ( -0.835 0.000 -4.984) 5.054 20.987 ( -21.867 0.000 -2.247) 21.982 21.607 ( -1.199 0.000 9.392) 9.468 21.726 ( -7.348 0.000 6.166) 9.592 22.384 ( -5.248 0.000 -7.121) 8.846 22.602 ( -6.650 0.000 -12.082) 13.791 23.225 ( 0.837 0.000 8.472) 8.513 23.500 ( 9.990 0.000 -0.853) 10.026 26.258 ( 4.973 0.000 2.101) 5.398 26.407 ( -0.924 0.000 1.166) 1.488 28.008 ( 47.733 0.000 -17.317) 50.778 28.941 ( -2.933 0.000 -4.031) 4.985 29.208 ( 6.037 0.000 -10.985) 12.534 29.345 ( 5.759 0.000 -17.333) 18.265 30.348 ( 2.306 0.000 7.341) 7.695 30.968 ( -2.488 0.000 -5.398) 5.944 31.520 ( 1.785 0.000 2.047) 2.716 31.747 ( -0.244 0.000 -2.378) 2.390 32.667 ( 2.944 0.000 17.550) 17.796 33.556 ( 0.218 0.000 -6.304) 6.307 35.101 ( -5.314 0.000 12.676) 13.744 35.724 ( -28.622 0.000 6.959) 29.456 ======================= Grid point 272 (83/200) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 27.674 0.000 24.108) 36.702 2.170 ( 28.273 0.000 24.204) 37.218 3.596 ( 35.086 0.000 41.542) 54.376 3.846 ( 9.616 0.000 -13.223) 16.350 4.416 ( -6.383 0.000 -20.626) 21.591 4.526 ( -9.890 0.000 6.660) 11.923 4.949 ( -13.835 0.000 23.508) 27.277 5.189 ( -7.943 0.000 -6.771) 10.437 6.029 ( -25.382 0.000 8.187) 26.670 7.036 ( 19.192 0.000 -26.269) 32.533 7.468 ( -12.596 0.000 -4.001) 13.216 7.952 ( -1.408 0.000 -4.838) 5.038 19.589 ( -4.284 0.000 19.267) 19.737 20.379 ( 1.975 0.000 3.822) 4.302 20.555 ( -20.898 0.000 10.790) 23.520 20.721 ( -2.006 0.000 -2.827) 3.466 21.586 ( -0.603 0.000 6.769) 6.796 21.691 ( 1.789 0.000 -5.585) 5.865 22.242 ( -9.110 0.000 -6.413) 11.141 22.433 ( -10.173 0.000 -15.690) 18.699 23.238 ( 0.567 0.000 10.127) 10.142 23.566 ( -1.914 0.000 1.549) 2.462 26.367 ( 5.946 0.000 -0.783) 5.997 26.468 ( 5.876 0.000 -0.587) 5.905 28.746 ( 19.159 0.000 -22.464) 29.525 28.936 ( 4.271 0.000 -6.542) 7.812 29.332 ( 11.573 0.000 -13.746) 17.969 29.548 ( 13.178 0.000 -25.947) 29.101 30.411 ( 4.111 0.000 6.342) 7.558 30.903 ( -4.108 0.000 -3.345) 5.298 31.564 ( 2.614 0.000 0.682) 2.702 31.739 ( -0.571 0.000 -2.308) 2.377 32.753 ( 5.914 0.000 18.938) 19.840 33.547 ( -1.686 0.000 -1.634) 2.348 34.923 ( -13.548 0.000 19.475) 23.724 35.221 ( -18.965 0.000 12.098) 22.496 ======================= Grid point 273 (84/200) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.736 ( 29.441 0.000 17.699) 34.352 2.739 ( 31.935 0.000 16.049) 35.741 3.984 ( -0.376 0.000 -3.904) 3.922 4.057 ( 4.951 0.000 3.110) 5.847 4.359 ( -2.673 0.000 0.454) 2.711 4.453 ( 5.588 0.000 10.673) 12.047 4.756 ( 4.002 0.000 24.730) 25.051 5.002 ( -11.277 0.000 -7.427) 13.503 5.582 ( -17.975 0.000 7.160) 19.349 6.997 ( -30.099 0.000 3.770) 30.334 7.420 ( 17.216 0.000 -24.973) 30.332 7.965 ( -0.156 0.000 -10.051) 10.052 19.583 ( 3.286 0.000 18.199) 18.493 20.192 ( -16.770 0.000 12.902) 21.159 20.429 ( 3.204 0.000 3.998) 5.124 20.668 ( -3.521 0.000 0.171) 3.525 21.600 ( 2.444 0.000 2.914) 3.803 21.760 ( 4.984 0.000 -12.266) 13.240 22.047 ( -10.675 0.000 -5.244) 11.893 22.230 ( -10.516 0.000 -18.305) 21.111 23.253 ( 1.179 0.000 11.300) 11.362 23.482 ( -5.683 0.000 6.399) 8.559 26.483 ( 5.833 0.000 -3.376) 6.739 26.577 ( 4.483 0.000 -2.716) 5.241 28.858 ( 1.788 0.000 -3.316) 3.767 28.997 ( -0.614 0.000 -4.177) 4.222 29.649 ( 15.960 0.000 -30.915) 34.792 29.793 ( 10.879 0.000 -30.563) 32.442 30.502 ( 5.177 0.000 4.866) 7.105 30.815 ( -4.997 0.000 -1.084) 5.113 31.616 ( 2.608 0.000 -0.518) 2.659 31.724 ( -1.024 0.000 -2.155) 2.386 32.894 ( 8.617 0.000 20.531) 22.266 33.467 ( -6.964 0.000 8.582) 11.052 34.688 ( -7.406 0.000 18.956) 20.352 34.965 ( -10.347 0.000 5.806) 11.865 ======================= Grid point 274 (85/200) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 296 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.281 ( 26.632 0.000 13.056) 29.660 3.337 ( 29.397 0.000 13.183) 32.218 3.743 ( -20.443 0.000 8.771) 22.245 3.847 ( -22.118 0.000 10.136) 24.330 4.499 ( 12.808 0.000 -8.435) 15.336 4.546 ( 11.182 0.000 1.781) 11.323 4.761 ( -13.473 0.000 -8.265) 15.806 4.819 ( -11.964 0.000 9.902) 15.530 5.662 ( 28.965 0.000 16.375) 33.273 6.339 ( -36.563 0.000 11.662) 38.378 7.717 ( 12.849 0.000 -20.685) 24.351 7.904 ( -6.428 0.000 -15.548) 16.824 19.700 ( 8.575 0.000 16.215) 18.343 19.907 ( -12.792 0.000 14.355) 19.228 20.502 ( 4.265 0.000 3.793) 5.707 20.588 ( -4.499 0.000 2.633) 5.213 21.687 ( 6.556 0.000 -0.797) 6.605 21.847 ( -9.693 0.000 -3.476) 10.297 21.878 ( 7.260 0.000 -16.610) 18.128 22.038 ( -9.209 0.000 -18.731) 20.872 23.292 ( 3.094 0.000 11.287) 11.703 23.373 ( -5.182 0.000 9.701) 10.999 26.581 ( 3.933 0.000 -4.606) 6.057 26.622 ( -0.034 0.000 -4.299) 4.299 28.899 ( 2.632 0.000 -0.628) 2.706 28.955 ( -2.959 0.000 -0.720) 3.045 29.874 ( 7.217 0.000 -32.021) 32.824 29.924 ( 2.153 0.000 -32.605) 32.676 30.606 ( 5.564 0.000 3.078) 6.358 30.713 ( -5.460 0.000 1.079) 5.566 31.662 ( 2.171 0.000 -1.349) 2.556 31.699 ( -1.586 0.000 -1.863) 2.447 33.080 ( 10.549 0.000 21.016) 23.515 33.290 ( -10.687 0.000 17.913) 20.859 34.660 ( 3.544 0.000 9.796) 10.417 34.783 ( -8.407 0.000 5.459) 10.024 ======================= Grid point 279 (86/200) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 0.000 18.516 34.875) 39.485 1.819 ( 0.000 17.534 36.839) 40.799 2.924 ( 0.000 27.958 53.494) 60.359 3.794 ( 0.000 15.338 -15.348) 21.698 4.682 ( 0.000 0.249 -26.822) 26.823 4.958 ( 0.000 14.583 2.704) 14.832 5.280 ( 0.000 6.304 22.399) 23.270 5.462 ( 0.000 10.668 -8.364) 13.557 6.515 ( 0.000 3.403 -24.920) 25.151 6.949 ( 0.000 -2.956 23.672) 23.856 7.055 ( 0.000 -4.950 -14.705) 15.516 8.142 ( 0.000 -4.450 -6.408) 7.802 19.819 ( 0.000 -3.215 9.869) 10.380 19.907 ( 0.000 -28.661 15.527) 32.596 20.724 ( 0.000 -3.008 -5.361) 6.147 21.245 ( 0.000 -1.537 -18.242) 18.307 21.483 ( 0.000 -9.605 8.745) 12.990 22.083 ( 0.000 12.525 5.722) 13.770 22.200 ( 0.000 -18.467 -6.356) 19.530 22.832 ( 0.000 9.033 -9.048) 12.785 23.228 ( 0.000 1.389 8.309) 8.424 23.558 ( 0.000 20.859 -2.394) 20.996 26.013 ( 0.000 -18.086 3.761) 18.473 26.398 ( 0.000 -7.729 -5.361) 9.406 27.417 ( 0.000 2.283 10.616) 10.859 28.946 ( 0.000 -4.575 1.492) 4.812 28.972 ( 0.000 -11.180 -23.854) 26.344 29.211 ( 0.000 -8.061 -5.234) 9.611 30.494 ( 0.000 14.750 7.438) 16.519 31.285 ( 0.000 22.045 -15.137) 26.741 31.552 ( 0.000 4.899 2.817) 5.651 31.842 ( 0.000 8.699 -4.676) 9.876 32.672 ( 0.000 3.243 15.488) 15.824 33.514 ( 0.000 -3.624 -7.213) 8.072 35.060 ( 0.000 -8.700 11.737) 14.610 35.760 ( 0.000 -25.114 3.461) 25.351 ======================= Grid point 280 (87/200) ======================= q-point: ( 0.11 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 15.236 15.243 31.361) 38.053 1.919 ( 13.399 17.878 32.129) 39.134 3.195 ( 25.375 24.453 47.953) 59.509 3.856 ( 6.194 15.560 -14.561) 22.192 4.565 ( -10.509 -0.743 -26.577) 28.589 4.889 ( -6.407 14.692 5.812) 17.049 5.199 ( -8.227 5.597 22.205) 24.332 5.447 ( -2.270 13.028 -7.803) 15.355 6.462 ( -19.296 -2.789 1.729) 19.573 6.733 ( 8.157 1.560 -18.253) 20.054 7.373 ( 14.025 -4.702 -2.220) 14.958 8.048 ( -8.835 -4.080 -5.181) 11.025 19.684 ( -8.372 -6.361 16.567) 19.622 19.983 ( 3.607 -21.214 10.575) 23.976 20.699 ( -2.404 -3.852 -4.784) 6.595 21.104 ( -12.895 1.804 -6.338) 14.481 21.514 ( 2.490 -6.523 0.338) 6.990 21.911 ( -11.886 14.366 8.338) 20.425 22.159 ( -4.192 -17.728 -6.250) 19.259 22.738 ( -9.081 8.589 -10.651) 16.423 23.256 ( 2.277 2.625 8.647) 9.319 23.637 ( 3.998 12.157 -4.070) 13.429 26.057 ( 4.273 -19.019 2.704) 19.680 26.313 ( -3.609 -9.357 -0.291) 10.033 27.902 ( 38.118 -7.535 -8.038) 39.678 28.881 ( -1.776 -5.081 -5.376) 7.607 29.121 ( 9.580 -8.099 -14.347) 19.058 29.229 ( 2.890 -9.234 -8.214) 12.692 30.515 ( 2.233 14.639 6.942) 16.355 31.242 ( -4.016 19.948 -12.383) 23.820 31.589 ( 3.330 6.932 0.276) 7.695 31.842 ( -0.069 8.808 -4.672) 9.971 32.701 ( 3.068 3.337 15.980) 16.611 33.524 ( 0.923 -3.004 -6.316) 7.054 35.016 ( -4.774 -8.231 12.137) 15.422 35.509 ( -22.239 -18.840 11.461) 31.319 ======================= Grid point 281 (88/200) ======================= q-point: ( 0.22 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 24.803 11.151 22.049) 35.010 2.344 ( 26.528 14.647 24.476) 38.953 3.775 ( 31.048 17.948 32.715) 48.543 4.016 ( 9.571 15.864 -11.846) 21.991 4.364 ( -7.978 -1.878 -17.878) 19.667 4.736 ( -8.614 15.010 8.334) 19.208 4.975 ( -14.286 4.232 21.402) 26.078 5.357 ( -7.034 15.501 -6.806) 18.332 6.006 ( -24.272 -2.118 7.249) 25.420 7.032 ( 18.045 -0.207 -24.100) 30.107 7.435 ( -10.926 -3.102 -3.729) 11.954 7.910 ( -1.713 -3.997 -4.508) 6.263 19.572 ( -2.523 -1.872 18.484) 18.749 20.025 ( 0.733 -18.499 9.669) 20.886 20.638 ( -3.945 -4.011 -2.490) 6.152 20.827 ( -13.912 7.335 2.339) 15.900 21.563 ( 2.236 -2.558 -4.104) 5.328 21.748 ( -4.377 6.415 2.477) 8.152 22.047 ( -7.073 -15.803 -6.004) 18.325 22.521 ( -12.556 5.971 -13.911) 19.668 23.294 ( 1.562 4.697 9.491) 10.704 23.641 ( -3.141 6.867 -0.344) 7.559 26.157 ( 5.578 -20.381 0.396) 21.134 26.314 ( 2.801 -14.430 -0.358) 14.704 28.525 ( 21.507 -16.214 -14.722) 30.695 28.885 ( 1.834 -3.900 -2.982) 5.241 29.271 ( 8.546 -5.572 -11.036) 15.029 29.400 ( 12.871 -12.677 -20.537) 27.352 30.577 ( 4.121 14.392 5.479) 15.942 31.147 ( -5.592 17.484 -8.775) 20.346 31.662 ( 3.905 9.116 -2.554) 10.241 31.839 ( -0.220 9.131 -4.659) 10.253 32.790 ( 6.137 3.609 17.271) 18.681 33.537 ( -0.211 -1.079 -2.542) 2.770 34.854 ( -12.583 -6.566 18.240) 23.112 35.096 ( -16.427 -11.741 12.110) 23.545 ======================= Grid point 282 (89/200) ======================= q-point: ( 0.33 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 30.188 7.144 14.711) 34.333 2.883 ( 28.440 12.414 18.824) 36.294 4.116 ( -0.764 5.742 -6.254) 8.524 4.142 ( -2.100 13.303 -3.236) 13.852 4.354 ( 5.256 3.240 8.687) 10.657 4.619 ( -5.459 13.605 6.504) 16.037 4.802 ( 6.623 5.151 23.709) 25.150 5.194 ( -8.474 17.191 -4.868) 19.775 5.592 ( -15.551 1.295 6.146) 16.772 6.993 ( -28.279 -0.249 4.038) 28.567 7.402 ( 16.410 -1.657 -23.710) 28.882 7.922 ( 0.025 -4.069 -9.488) 10.324 19.588 ( 3.862 0.439 17.176) 17.610 19.998 ( -4.033 -12.596 11.021) 17.216 20.540 ( -5.483 2.701 2.519) 6.611 20.627 ( -6.486 -1.475 1.318) 6.781 21.589 ( 1.098 -0.588 -0.499) 1.342 21.747 ( 3.468 -1.572 -9.714) 10.434 21.901 ( -7.564 -12.313 -5.722) 15.543 22.276 ( -12.504 3.197 -16.920) 21.281 23.321 ( 1.529 5.907 10.211) 11.895 23.548 ( -5.762 6.007 4.770) 9.593 26.263 ( 5.265 -21.312 -1.805) 22.027 26.377 ( 2.740 -18.829 -1.902) 19.122 28.746 ( 5.374 -10.133 -4.469) 12.310 28.911 ( -0.120 -5.545 -0.725) 5.593 29.494 ( 12.450 -11.653 -20.667) 26.794 29.631 ( 9.654 -13.434 -23.610) 28.829 30.671 ( 5.488 14.203 3.133) 15.545 31.032 ( -6.253 15.849 -5.747) 17.981 31.732 ( 3.224 10.143 -3.982) 11.364 31.832 ( -0.556 9.612 -4.644) 10.690 32.936 ( 8.873 4.006 18.742) 21.119 33.489 ( -5.359 1.903 6.398) 8.560 34.625 ( -7.817 -6.084 18.238) 20.754 34.867 ( -9.512 -9.324 5.719) 14.496 ======================= Grid point 283 (90/200) ======================= q-point: ( 0.44 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.376 ( 27.986 3.979 12.211) 30.792 3.416 ( 26.139 11.491 14.670) 32.102 3.871 ( -20.837 7.251 9.638) 24.076 3.896 ( -20.825 9.748 6.613) 23.925 4.464 ( 9.677 -0.376 0.771) 9.715 4.646 ( 0.013 5.367 -3.284) 6.292 4.832 ( -0.555 10.500 0.912) 10.554 5.025 ( -12.764 16.855 -5.022) 21.731 5.724 ( 28.937 6.371 16.887) 34.104 6.371 ( -34.569 3.381 11.735) 36.663 7.687 ( 12.374 -2.818 -19.751) 23.477 7.866 ( -6.099 -3.576 -14.837) 16.435 19.705 ( 7.809 0.355 15.259) 17.145 19.870 ( -8.521 -3.583 13.273) 16.174 20.488 ( 0.385 -1.094 3.147) 3.354 20.534 ( -3.768 -4.685 2.016) 6.341 21.636 ( 4.036 -4.534 -1.334) 6.215 21.740 ( -6.204 -9.015 -3.615) 11.525 21.877 ( 7.106 -1.047 -16.275) 17.790 22.051 ( -10.531 0.817 -18.123) 20.977 23.363 ( 3.005 6.302 10.041) 12.230 23.441 ( -4.981 6.165 8.342) 11.507 26.353 ( 3.784 -21.830 -3.015) 22.360 26.398 ( -0.704 -21.196 -2.990) 21.417 28.823 ( 3.388 -6.293 -0.269) 7.152 28.882 ( -2.521 -5.433 0.651) 6.024 29.687 ( 6.764 -14.470 -23.350) 28.291 29.741 ( 1.407 -14.576 -24.141) 28.235 30.785 ( 6.236 14.276 0.232) 15.581 30.908 ( -6.456 14.798 -2.793) 16.385 31.784 ( 2.144 10.367 -4.504) 11.505 31.816 ( -1.187 10.101 -4.624) 11.172 33.126 ( 10.647 4.332 19.074) 22.270 33.332 ( -10.136 3.975 15.694) 19.101 34.585 ( 2.970 -7.154 9.491) 12.251 34.698 ( -7.858 -8.148 5.315) 12.506 ======================= Grid point 288 (91/200) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 0.000 22.708 28.150) 36.167 2.282 ( 0.000 26.467 26.183) 37.230 3.697 ( 0.000 44.522 34.998) 56.631 4.199 ( 0.000 22.797 -14.480) 27.007 4.711 ( 0.000 2.512 -26.529) 26.648 5.133 ( 0.000 4.076 11.626) 12.320 5.635 ( 0.000 25.752 15.045) 29.825 5.719 ( 0.000 12.913 -14.991) 19.785 6.651 ( 0.000 10.514 -12.238) 16.135 6.871 ( 0.000 -4.384 22.369) 22.795 6.914 ( 0.000 -8.321 -14.629) 16.830 8.010 ( 0.000 -8.373 -6.414) 10.547 19.465 ( 0.000 -13.893 14.057) 19.764 19.731 ( 0.000 -5.080 6.556) 8.294 20.634 ( 0.000 -5.902 -4.260) 7.279 21.139 ( 0.000 -8.200 -14.695) 16.828 21.300 ( 0.000 -7.714 4.906) 9.142 21.769 ( 0.000 -22.467 -3.895) 22.802 22.364 ( 0.000 14.572 3.235) 14.927 22.993 ( 0.000 7.604 -5.309) 9.274 23.269 ( 0.000 2.645 10.038) 10.381 23.942 ( 0.000 13.803 -10.079) 17.091 25.523 ( 0.000 -28.362 5.164) 28.829 26.144 ( 0.000 -16.551 -10.252) 19.468 27.479 ( 0.000 3.502 9.828) 10.433 28.705 ( 0.000 -13.793 -15.226) 20.545 28.849 ( 0.000 -4.589 1.130) 4.726 29.032 ( 0.000 -9.107 -3.924) 9.917 30.838 ( 0.000 17.296 6.477) 18.469 31.648 ( 0.000 11.297 -17.819) 21.098 31.698 ( 0.000 9.324 3.131) 9.835 32.080 ( 0.000 13.393 -8.572) 15.902 32.770 ( 0.000 6.300 10.760) 12.469 33.414 ( 0.000 -5.888 -6.605) 8.848 34.808 ( 0.000 -15.626 10.874) 19.037 35.207 ( 0.000 -26.971 12.874) 29.886 ======================= Grid point 289 (92/200) ======================= q-point: ( 0.11 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.274 ( 12.627 21.572 24.689) 35.133 2.360 ( 9.494 24.365 25.565) 36.570 3.890 ( 18.406 40.895 30.760) 54.382 4.268 ( 6.904 23.280 -12.978) 27.532 4.578 ( -11.638 2.210 -24.915) 27.587 5.068 ( -6.273 4.064 13.256) 15.218 5.525 ( -10.198 23.417 14.107) 29.179 5.778 ( 2.943 17.722 -12.124) 21.673 6.386 ( -22.893 -4.101 5.665) 23.937 6.810 ( 8.240 6.921 -14.483) 18.043 7.243 ( 14.414 -7.725 0.322) 16.357 7.928 ( -7.725 -7.488 -5.199) 11.949 19.467 ( 0.524 -10.691 13.960) 17.591 19.741 ( 1.008 -5.780 7.280) 9.350 20.593 ( -3.749 -6.459 -4.195) 8.566 21.037 ( -8.360 -6.497 -3.900) 11.283 21.367 ( 5.099 -7.671 -5.437) 10.696 21.740 ( -2.891 -22.032 -4.086) 22.594 22.226 ( -12.443 15.614 3.580) 20.284 22.898 ( -9.892 7.310 -7.061) 14.183 23.323 ( 4.538 3.946 9.143) 10.944 23.897 ( -4.186 10.930 -8.149) 14.262 25.540 ( 1.787 -30.092 4.542) 30.485 26.028 ( -8.118 -18.204 -3.791) 20.290 27.791 ( 25.665 -2.830 0.869) 25.835 28.743 ( 3.152 -9.094 -8.816) 13.052 28.919 ( 7.506 -9.035 -4.725) 12.661 29.048 ( 1.856 -8.688 -4.827) 10.111 30.857 ( 1.899 17.123 5.932) 18.221 31.563 ( -5.591 11.198 -9.656) 15.808 31.777 ( 4.939 9.628 -4.799) 11.837 32.079 ( -0.158 13.134 -8.445) 15.616 32.800 ( 3.145 6.200 11.244) 13.220 33.440 ( 2.557 -5.034 -6.134) 8.337 34.777 ( -3.306 -14.911 10.613) 18.598 35.064 ( -13.411 -22.952 14.910) 30.479 ======================= Grid point 290 (93/200) ======================= q-point: ( 0.22 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 19.541 19.522 16.409) 32.128 2.684 ( 22.478 17.687 24.551) 37.694 4.265 ( 6.999 18.655 -5.803) 20.752 4.399 ( 4.987 14.900 -0.502) 15.720 4.445 ( 9.927 25.006 -3.024) 27.074 4.920 ( -6.963 4.510 17.329) 19.212 5.255 ( -17.187 19.656 13.137) 29.229 5.765 ( -5.195 23.196 -6.043) 24.527 5.956 ( -19.786 -2.007 3.417) 20.179 7.044 ( 14.269 1.971 -17.463) 22.638 7.350 ( -6.216 -4.913 -2.514) 8.313 7.798 ( -2.379 -6.653 -3.751) 7.999 19.498 ( 2.990 -5.129 13.568) 14.810 19.766 ( 1.470 -6.606 8.583) 10.931 20.511 ( -4.312 -7.728 -3.522) 9.524 20.855 ( -10.179 -3.281 1.804) 10.846 21.473 ( 5.762 -6.298 -11.295) 14.158 21.666 ( -4.342 -20.368 -4.852) 21.384 21.954 ( -14.443 12.587 2.978) 19.388 22.642 ( -15.486 5.728 -10.933) 19.803 23.404 ( 3.515 5.861 8.247) 10.711 23.801 ( -5.521 7.458 -3.867) 10.052 25.593 ( 3.552 -33.048 3.357) 33.407 25.913 ( -3.668 -23.957 0.403) 24.240 28.258 ( 20.077 -8.914 -4.369) 22.397 28.799 ( 2.259 -4.535 -1.120) 5.188 29.099 ( 7.599 -12.293 -6.318) 15.773 29.136 ( 9.814 -10.237 -13.310) 19.449 30.910 ( 3.545 16.609 4.365) 17.535 31.449 ( -6.098 11.876 -7.764) 15.443 31.869 ( 4.522 9.590 -5.866) 12.117 32.074 ( -0.348 12.490 -8.057) 14.868 32.892 ( 6.357 6.034 12.464) 15.237 33.500 ( 3.092 -2.582 -4.113) 5.757 34.667 ( -9.441 -11.557 14.190) 20.593 34.779 ( -12.788 -18.409 12.322) 25.578 ======================= Grid point 291 (94/200) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.022 ( 25.100 13.811 11.412) 30.838 3.163 ( 26.111 13.514 21.380) 36.353 4.197 ( -2.512 2.502 -15.607) 16.004 4.429 ( -13.342 13.311 8.659) 20.741 4.632 ( 4.278 22.657 -0.897) 23.075 4.920 ( -12.453 12.554 7.210) 19.096 4.998 ( 9.803 15.616 17.858) 25.668 5.618 ( -1.724 18.785 9.465) 21.105 5.683 ( -10.451 13.172 -7.980) 18.613 7.001 ( -22.881 1.651 5.131) 23.508 7.361 ( 14.080 -2.050 -19.746) 24.338 7.808 ( 0.492 -6.787 -7.742) 10.307 19.583 ( 5.602 -1.787 12.814) 14.098 19.790 ( 0.682 -6.321 9.740) 11.631 20.439 ( -2.823 -7.936 -2.008) 8.660 20.656 ( -10.013 0.327 2.942) 10.442 21.547 ( -1.021 -12.220 -5.379) 13.391 21.612 ( -0.583 -5.793 -10.722) 12.201 21.730 ( -5.170 -0.493 -2.056) 5.585 22.336 ( -15.657 2.459 -14.699) 21.616 23.461 ( 2.627 7.289 7.724) 10.940 23.692 ( -5.578 7.066 0.694) 9.029 25.669 ( 4.250 -34.832 2.291) 35.165 25.865 ( -1.986 -29.849 1.099) 29.935 28.547 ( 10.617 -7.769 -1.788) 13.277 28.819 ( -0.341 -3.719 1.646) 4.081 29.246 ( 8.130 -12.224 -10.606) 18.111 29.333 ( 8.216 -14.606 -15.693) 22.959 30.991 ( 4.805 15.775 1.995) 16.611 31.329 ( -6.330 12.717 -5.929) 15.393 31.948 ( 3.602 9.841 -6.141) 12.147 32.064 ( -0.718 11.719 -7.459) 13.910 33.043 ( 9.208 5.991 13.771) 17.616 33.528 ( -1.233 1.424 1.662) 2.512 34.451 ( -8.959 -10.648 16.096) 21.277 34.605 ( -7.474 -15.733 5.451) 18.251 ======================= Grid point 292 (95/200) ======================= q-point: ( 0.44 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.496 ( 22.417 7.383 11.126) 26.092 3.632 ( 17.820 7.458 19.330) 27.328 4.072 ( -12.274 15.193 0.535) 19.539 4.177 ( -11.347 13.054 6.362) 18.429 4.535 ( 0.128 8.080 4.253) 9.132 4.728 ( -13.552 3.719 2.022) 14.198 5.174 ( 12.447 20.877 -6.797) 25.239 5.438 ( -13.564 22.352 -10.253) 28.084 5.938 ( 26.939 14.990 17.367) 35.384 6.490 ( -28.647 8.751 11.897) 32.230 7.610 ( 10.903 -4.355 -16.739) 20.446 7.767 ( -5.115 -5.873 -12.533) 14.756 19.698 ( 5.655 -1.859 11.868) 13.277 19.778 ( -2.300 -4.433 10.826) 11.922 20.416 ( 0.919 -4.791 0.076) 4.879 20.489 ( -6.655 0.170 2.081) 6.975 21.509 ( -1.045 -12.517 -2.945) 12.901 21.532 ( -3.722 -5.544 -2.569) 7.155 21.827 ( 9.916 -3.947 -15.814) 19.078 22.054 ( -13.359 -0.847 -16.637) 21.354 23.516 ( 3.284 7.956 6.622) 10.860 23.592 ( -4.620 7.762 4.337) 10.020 25.751 ( 4.041 -35.139 1.522) 35.403 25.819 ( -2.949 -33.654 1.159) 33.803 28.700 ( 5.919 -4.993 1.028) 7.811 28.786 ( -3.053 -3.752 2.110) 5.277 29.382 ( 5.182 -14.497 -13.767) 20.653 29.424 ( 1.145 -15.377 -15.338) 21.749 31.093 ( 5.671 14.738 -0.798) 15.811 31.208 ( -6.187 13.681 -3.565) 15.433 32.007 ( 2.454 10.342 -6.375) 12.394 32.044 ( -1.424 10.985 -6.828) 13.013 33.238 ( 10.655 5.956 13.876) 18.481 33.431 ( -8.422 4.973 10.131) 14.082 34.381 ( 1.439 -12.451 8.573) 15.185 34.468 ( -6.475 -13.935 4.936) 16.139 ======================= Grid point 297 (96/200) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 0.000 25.895 16.831) 30.884 2.852 ( 0.000 28.744 17.516) 33.660 4.585 ( 0.000 37.877 29.095) 47.762 4.647 ( 0.000 19.270 -15.860) 24.957 4.783 ( 0.000 4.751 -22.777) 23.267 5.255 ( 0.000 11.336 2.058) 11.521 5.950 ( 0.000 10.140 -18.290) 20.913 6.163 ( 0.000 22.513 17.568) 28.556 6.668 ( 0.000 -11.317 -9.071) 14.504 6.808 ( 0.000 0.649 19.680) 19.691 7.009 ( 0.000 19.265 -3.570) 19.593 7.811 ( 0.000 -10.676 -6.360) 12.427 19.316 ( 0.000 -1.671 4.619) 4.912 19.628 ( 0.000 -4.679 2.277) 5.204 20.486 ( 0.000 -8.329 -2.485) 8.692 20.933 ( 0.000 -11.642 -11.707) 16.510 21.184 ( 0.000 -3.686 -2.195) 4.290 21.325 ( 0.000 -20.525 -2.182) 20.641 22.654 ( 0.000 13.263 2.127) 13.432 23.156 ( 0.000 8.344 -3.258) 8.958 23.340 ( 0.000 4.569 10.969) 11.883 24.066 ( 0.000 -1.740 -7.914) 8.103 24.921 ( 0.000 -29.476 7.707) 30.467 25.768 ( 0.000 -19.348 -13.125) 23.380 27.547 ( 0.000 2.962 8.646) 9.139 28.455 ( 0.000 -10.096 -5.647) 11.568 28.762 ( 0.000 -3.997 0.327) 4.011 28.838 ( 0.000 -10.047 -4.559) 11.033 31.148 ( 0.000 12.554 4.102) 13.208 31.776 ( 0.000 2.684 -14.946) 15.185 31.924 ( 0.000 12.603 3.805) 13.165 32.310 ( 0.000 8.095 -6.070) 10.118 32.921 ( 0.000 8.155 3.688) 8.950 33.290 ( 0.000 -5.870 -5.657) 8.152 34.445 ( 0.000 -19.493 9.861) 21.845 34.698 ( 0.000 -22.955 12.227) 26.008 ======================= Grid point 298 (97/200) ======================= q-point: ( 0.11 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.744 ( 10.453 24.155 16.177) 30.894 2.888 ( 4.479 26.931 17.242) 32.290 4.581 ( -7.285 9.346 -14.310) 18.579 4.725 ( 4.039 22.491 -0.662) 22.860 4.793 ( 12.807 28.183 6.210) 31.574 5.189 ( -6.508 12.102 2.589) 13.983 5.952 ( -13.707 14.903 10.559) 22.836 6.061 ( 0.806 5.476 -14.225) 15.264 6.404 ( -13.426 11.844 8.364) 19.761 6.990 ( 5.337 2.269 -8.321) 10.143 7.126 ( 12.122 5.098 6.998) 14.897 7.757 ( -5.140 -8.691 -4.985) 11.260 19.341 ( 2.594 -1.791 4.606) 5.581 19.650 ( 2.237 -3.457 3.362) 5.316 20.441 ( -4.309 -8.254 -2.741) 9.706 20.880 ( -5.215 -8.787 -6.146) 11.924 21.220 ( 3.766 -6.131 -6.822) 9.915 21.299 ( -2.507 -20.700 -2.684) 21.023 22.525 ( -12.358 13.025 1.042) 17.985 23.051 ( -10.545 8.097 -2.847) 13.596 23.414 ( 5.829 4.831 8.022) 11.030 24.017 ( -4.829 0.323 -7.679) 9.077 24.902 ( -1.310 -30.900 7.711) 31.875 25.606 ( -13.045 -22.323 -6.632) 26.692 27.771 ( 19.120 0.295 3.885) 19.513 28.535 ( 7.539 -9.726 -4.170) 12.993 28.790 ( 2.926 -4.789 -0.484) 5.634 28.860 ( 2.426 -9.638 -5.119) 11.180 31.165 ( 1.670 12.537 3.737) 13.189 31.731 ( -3.870 5.240 -11.231) 12.984 31.968 ( 3.690 10.135 0.062) 10.786 32.303 ( -0.621 8.039 -6.131) 10.129 32.943 ( 2.427 7.431 4.475) 9.008 33.333 ( 4.177 -5.113 -5.476) 8.577 34.423 ( -2.248 -19.380 9.175) 21.559 34.617 ( -7.910 -20.484 12.810) 25.422 ======================= Grid point 299 (98/200) ======================= q-point: ( 0.22 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.015 ( 16.400 21.556 11.870) 29.572 3.058 ( 13.944 19.844 19.004) 30.812 4.369 ( -10.526 2.968 -16.600) 19.879 4.879 ( 6.326 18.460 -6.727) 20.641 5.027 ( -6.273 13.710 0.488) 15.085 5.123 ( 16.868 31.874 19.140) 40.827 5.547 ( -22.418 6.655 12.478) 26.506 5.989 ( -11.112 6.711 -2.659) 13.251 6.257 ( -3.014 24.307 -4.178) 24.847 7.117 ( 8.882 2.753 -11.110) 14.488 7.268 ( -0.617 -0.180 3.806) 3.860 7.665 ( -2.125 -5.192 -2.441) 6.118 19.412 ( 4.649 -2.448 4.666) 7.027 19.706 ( 3.172 -0.519 6.302) 7.075 20.344 ( -4.893 -8.138 -3.391) 10.083 20.754 ( -7.221 -5.831 -0.910) 9.326 21.236 ( -3.078 -19.809 -2.381) 20.188 21.331 ( 7.133 -8.573 -12.539) 16.781 22.216 ( -19.004 12.032 -0.978) 22.513 22.759 ( -18.885 6.226 -5.755) 20.701 23.520 ( 4.685 4.870 5.087) 8.458 23.905 ( -6.031 2.426 -6.052) 8.882 24.895 ( 0.911 -33.584 7.808) 34.492 25.376 ( -9.847 -28.061 0.850) 29.751 28.145 ( 17.783 -2.976 0.113) 18.030 28.685 ( 5.967 -6.730 0.796) 9.030 28.882 ( 6.795 -8.554 -3.815) 11.571 28.937 ( 5.526 -9.199 -7.168) 12.905 31.211 ( 3.001 12.398 2.635) 13.025 31.645 ( -4.797 7.506 -8.313) 12.185 32.047 ( 4.212 8.258 -2.691) 9.653 32.287 ( -1.031 7.856 -6.102) 10.000 33.019 ( 5.540 6.016 6.238) 10.285 33.435 ( 5.933 -3.471 -4.551) 8.243 34.356 ( -5.134 -20.071 7.778) 22.130 34.422 ( -10.948 -14.392 13.222) 22.401 ======================= Grid point 300 (99/200) ======================= q-point: ( 0.33 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.344 ( 17.809 17.125 7.958) 25.957 3.410 ( 20.249 10.949 21.076) 31.211 4.251 ( -0.589 3.273 -10.654) 11.161 4.698 ( -15.357 13.197 3.493) 20.547 5.048 ( -20.359 3.116 12.770) 24.234 5.128 ( 1.470 21.804 -6.881) 22.911 5.400 ( 2.845 19.275 2.989) 19.712 5.898 ( 8.190 17.022 5.123) 19.572 6.166 ( -5.874 25.061 -4.875) 26.197 7.090 ( -15.092 7.811 7.184) 18.450 7.325 ( 11.371 -1.650 -12.879) 17.260 7.676 ( 0.967 -4.868 -4.202) 6.503 19.513 ( 5.587 -3.758 5.190) 8.501 19.749 ( 0.554 0.702 9.324) 9.367 20.289 ( 0.096 -5.932 -4.190) 7.263 20.619 ( -6.652 -3.491 0.098) 7.513 21.195 ( -0.563 -18.210 -2.584) 18.401 21.497 ( 10.041 -7.806 -14.649) 19.400 21.819 ( -21.083 7.657 -1.673) 22.492 22.371 ( -20.098 1.144 -10.169) 22.553 23.595 ( 3.310 5.014 3.035) 6.731 23.801 ( -4.688 3.258 -3.453) 6.672 24.937 ( 3.223 -35.059 7.665) 36.032 25.222 ( -6.589 -32.158 4.479) 33.130 28.433 ( 12.098 -3.867 0.325) 12.705 28.743 ( 0.559 -4.103 2.863) 5.035 29.021 ( 6.589 -9.761 -4.254) 12.522 29.060 ( 6.275 -11.594 -10.047) 16.575 31.278 ( 3.913 11.988 0.835) 12.638 31.549 ( -5.074 9.066 -6.171) 12.084 32.125 ( 3.747 7.508 -4.029) 9.308 32.264 ( -1.350 7.607 -5.790) 9.654 33.156 ( 8.563 4.609 7.934) 12.551 33.533 ( 3.051 -0.958 -1.541) 3.550 34.188 ( -9.166 -15.952 11.368) 21.626 34.276 ( -5.818 -14.626 6.253) 16.938 ======================= Grid point 301 (100/200) ======================= q-point: ( 0.44 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.658 ( 13.155 8.169 10.854) 18.911 3.736 ( 8.763 3.975 19.781) 21.997 4.349 ( 8.499 8.736 -4.969) 13.162 4.471 ( -4.664 18.546 2.095) 19.238 4.699 ( -11.578 3.836 7.827) 14.493 4.860 ( -20.281 10.611 2.093) 22.984 5.608 ( 15.052 20.115 -12.234) 27.944 5.886 ( -12.251 20.685 -13.190) 27.422 6.328 ( 20.918 22.546 15.438) 34.413 6.740 ( -20.460 15.701 11.743) 28.337 7.527 ( 8.888 -3.340 -11.078) 14.591 7.652 ( -3.830 -4.422 -7.900) 9.830 19.621 ( 5.432 -4.395 6.666) 9.657 19.714 ( -3.844 -2.480 8.817) 9.933 20.358 ( 6.292 -0.818 -2.915) 6.982 20.491 ( -6.848 -0.600 -0.991) 6.945 21.241 ( 6.111 -12.743 -2.151) 14.296 21.452 ( -15.720 -2.248 -1.792) 15.980 21.721 ( 13.224 -6.177 -14.949) 20.893 22.011 ( -16.933 -3.328 -13.598) 21.970 23.656 ( 3.167 4.877 1.208) 5.939 23.721 ( -3.701 4.203 -0.937) 5.678 25.013 ( 4.535 -35.323 7.127) 36.319 25.109 ( -5.355 -34.459 6.176) 35.415 28.618 ( 7.222 -3.505 1.622) 8.190 28.717 ( -3.167 -3.412 2.537) 5.302 29.121 ( 3.403 -10.898 -6.527) 13.151 29.140 ( 1.591 -12.098 -8.760) 15.021 31.360 ( 4.547 11.272 -1.465) 12.243 31.452 ( -4.964 10.295 -3.905) 12.078 32.188 ( 2.807 7.337 -4.764) 9.187 32.233 ( -1.909 7.410 -5.305) 9.311 33.339 ( 9.960 3.380 8.379) 13.448 33.507 ( -6.055 2.030 5.054) 8.144 34.098 ( 0.317 -14.986 6.655) 16.400 34.165 ( -5.398 -14.732 4.554) 16.337 ======================= Grid point 306 (101/200) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( 0.000 26.171 6.402) 26.942 3.428 ( 0.000 27.513 11.445) 29.798 4.867 ( 0.000 4.585 -13.566) 14.319 4.922 ( 0.000 7.122 -19.123) 20.406 5.069 ( 0.000 11.153 19.463) 22.432 5.748 ( 0.000 33.305 -5.278) 33.721 6.155 ( 0.000 8.785 -13.589) 16.181 6.371 ( 0.000 -1.213 19.067) 19.105 6.422 ( 0.000 -10.702 -5.139) 11.872 7.054 ( 0.000 22.331 17.160) 28.163 7.362 ( 0.000 6.868 -2.354) 7.260 7.655 ( 0.000 2.462 -1.591) 2.932 19.367 ( 0.000 6.134 -4.548) 7.636 19.555 ( 0.000 -2.196 -1.942) 2.932 20.313 ( 0.000 -8.114 -1.009) 8.177 20.681 ( 0.000 -12.700 -8.805) 15.454 20.945 ( 0.000 -16.752 -1.438) 16.813 21.131 ( 0.000 -2.299 -11.644) 11.869 22.874 ( 0.000 7.884 8.092) 11.297 23.321 ( 0.000 7.366 -1.926) 7.614 23.465 ( 0.000 7.429 6.281) 9.728 23.912 ( 0.000 -11.536 -2.532) 11.810 24.378 ( 0.000 -22.392 10.966) 24.933 25.378 ( 0.000 -19.093 -11.745) 22.417 27.596 ( 0.000 1.815 6.696) 6.938 28.296 ( 0.000 -6.076 -3.088) 6.816 28.629 ( 0.000 -10.039 -2.471) 10.338 28.683 ( 0.000 -3.772 -0.274) 3.782 31.344 ( 0.000 6.858 0.880) 6.914 31.788 ( 0.000 -1.084 -13.287) 13.332 32.193 ( 0.000 13.268 4.023) 13.865 32.414 ( 0.000 2.901 -0.670) 2.977 33.081 ( 0.000 7.138 -1.441) 7.282 33.189 ( 0.000 -3.818 -4.600) 5.977 34.041 ( 0.000 -19.558 8.966) 21.515 34.268 ( 0.000 -19.447 8.519) 21.231 ======================= Grid point 307 (102/200) ======================= q-point: ( 0.11 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( 6.464 24.169 7.596) 26.146 3.433 ( 1.263 26.155 11.008) 28.405 4.677 ( -12.928 3.351 -15.121) 20.174 5.047 ( 6.751 9.672 -14.830) 18.949 5.140 ( 6.490 8.064 14.524) 17.835 5.737 ( -1.716 31.025 -1.173) 31.094 5.976 ( -19.400 -3.391 5.926) 20.567 6.238 ( 2.041 10.812 -7.635) 13.393 6.674 ( 9.594 1.631 2.437) 10.033 6.970 ( -4.942 8.948 6.610) 12.173 7.404 ( 2.826 10.525 3.459) 11.433 7.659 ( 0.374 4.623 -0.033) 4.639 19.372 ( 0.752 4.063 -3.735) 5.570 19.610 ( 5.250 0.016 -1.451) 5.447 20.275 ( -3.610 -7.537 -1.425) 8.478 20.676 ( -1.072 -11.102 -7.381) 13.375 20.911 ( -3.159 -17.286 -1.694) 17.653 21.129 ( 0.470 -3.201 -11.588) 12.031 22.728 ( -13.577 6.807 6.180) 16.397 23.245 ( -9.478 10.991 -1.776) 14.621 23.497 ( 3.306 2.267 3.915) 5.603 23.930 ( 1.050 -7.434 -3.232) 8.174 24.343 ( -3.292 -22.772 11.020) 25.511 25.148 ( -19.489 -22.271 -6.760) 30.357 27.784 ( 16.359 0.711 4.069) 16.873 28.374 ( 7.637 -6.406 -1.784) 10.126 28.642 ( 1.449 -9.621 -2.668) 10.088 28.720 ( 3.538 -4.029 -0.503) 5.385 31.361 ( 1.768 6.965 0.809) 7.232 31.782 ( -0.698 0.332 -12.518) 12.542 32.191 ( -0.004 10.908 3.190) 11.365 32.414 ( -0.165 3.652 -1.205) 3.849 33.079 ( 0.588 5.243 -0.448) 5.295 33.251 ( 5.457 -2.403 -4.476) 7.456 34.017 ( -2.445 -19.633 8.814) 21.659 34.231 ( -3.641 -17.649 8.257) 19.823 ======================= Grid point 308 (103/200) ======================= q-point: ( 0.22 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.403 ( 9.940 17.819 13.185) 24.293 3.515 ( 7.680 23.132 6.949) 25.345 4.434 ( -10.596 3.150 -11.919) 16.256 5.122 ( -2.223 9.619 4.084) 10.684 5.295 ( 10.672 8.541 -14.598) 19.999 5.454 ( -22.114 -0.810 8.996) 23.888 5.853 ( -1.851 21.517 7.267) 22.786 6.198 ( -2.311 15.182 -3.663) 15.788 6.718 ( -3.738 19.793 -3.373) 20.423 7.030 ( 10.647 -8.394 -4.016) 14.140 7.425 ( -1.553 11.010 7.314) 13.309 7.671 ( 0.958 7.809 2.357) 8.213 19.402 ( 2.453 1.224 -1.943) 3.360 19.728 ( 5.749 2.524 1.576) 6.474 20.201 ( -2.838 -5.378 -3.798) 7.169 20.623 ( -4.361 -7.350 -4.655) 9.732 20.848 ( -2.568 -17.649 -1.653) 17.911 21.179 ( 5.139 -6.149 -11.841) 14.298 22.397 ( -20.022 5.267 1.464) 20.755 22.929 ( -23.177 10.998 -2.749) 25.801 23.565 ( 3.304 -1.310 0.489) 3.588 23.909 ( -3.679 -1.612 -6.132) 7.330 24.291 ( -0.818 -24.542 12.206) 27.422 24.798 ( -14.360 -27.986 1.333) 31.483 28.111 ( 15.866 -0.813 1.597) 15.967 28.553 ( 9.194 -5.756 2.323) 11.093 28.688 ( 3.703 -10.083 -4.819) 11.773 28.807 ( 5.168 -4.329 -0.911) 6.803 31.409 ( 3.050 7.242 0.458) 7.871 31.757 ( -2.005 3.618 -10.190) 10.997 32.202 ( 1.253 6.259 0.934) 6.451 32.404 ( -0.863 4.458 -2.327) 5.102 33.120 ( 3.704 3.626 1.781) 5.481 33.375 ( 6.995 -2.074 -3.841) 8.245 33.945 ( -5.018 -19.198 8.570) 21.614 34.137 ( -5.730 -13.785 7.200) 16.574 ======================= Grid point 309 (104/200) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.622 ( 12.514 10.167 18.086) 24.229 3.692 ( 8.867 16.497 5.155) 19.426 4.333 ( 1.602 4.631 -7.898) 9.295 4.952 ( -14.418 8.814 2.950) 17.155 5.057 ( -14.967 2.565 6.335) 16.453 5.513 ( -9.319 14.040 -2.838) 17.088 5.634 ( 2.091 3.920 -11.894) 12.697 6.325 ( 7.901 21.503 -2.574) 23.052 6.625 ( -1.938 19.279 -1.138) 19.410 7.269 ( 11.146 -0.332 -4.414) 11.993 7.331 ( -6.724 12.586 9.151) 16.952 7.683 ( -0.358 6.354 1.812) 6.617 19.465 ( 4.013 -0.717 0.603) 4.121 19.769 ( -2.305 0.877 6.548) 6.997 20.223 ( 5.524 -0.606 -8.551) 10.198 20.530 ( -4.716 -5.204 -3.726) 7.950 20.846 ( 3.474 -15.273 -0.423) 15.669 21.326 ( 9.827 -8.234 -10.945) 16.857 21.969 ( -24.237 5.427 -3.433) 25.074 22.409 ( -28.137 3.602 -5.223) 28.844 23.622 ( 2.749 -2.923 -1.449) 4.266 23.818 ( -4.802 -2.318 -5.774) 7.860 24.317 ( 2.874 -24.205 11.542) 26.969 24.596 ( -7.581 -28.387 5.784) 29.945 28.374 ( 11.339 -2.102 1.303) 11.606 28.653 ( 1.433 -4.431 3.617) 5.896 28.810 ( 7.631 -10.079 -4.685) 13.482 28.902 ( 4.222 -5.195 -1.476) 6.855 31.475 ( 3.778 7.583 -0.452) 8.484 31.705 ( -3.363 6.400 -7.101) 10.133 32.240 ( 2.553 3.096 -1.536) 4.297 32.380 ( -1.614 4.178 -3.215) 5.513 33.220 ( 6.540 1.738 3.999) 7.861 33.500 ( 5.002 -1.882 -1.864) 5.660 33.835 ( -5.472 -16.911 7.861) 19.435 34.021 ( -6.157 -11.269 5.198) 13.854 ======================= Grid point 310 (105/200) ======================= q-point: ( 0.44 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.818 ( 5.117 6.438 14.241) 16.445 3.826 ( 5.135 6.550 13.950) 16.244 4.498 ( 13.287 5.572 -5.060) 15.271 4.719 ( -8.718 -0.489 5.749) 10.454 4.847 ( -3.847 17.626 -1.966) 18.147 5.074 ( -22.742 9.574 1.765) 24.738 5.926 ( 16.983 9.864 -18.303) 26.846 6.230 ( -13.480 11.370 -16.963) 24.469 6.810 ( 15.891 23.759 12.219) 31.086 7.106 ( -13.825 19.386 11.122) 26.280 7.497 ( 9.608 1.231 -2.984) 10.136 7.637 ( -4.755 3.674 -0.662) 6.045 19.557 ( 5.537 -1.454 3.602) 6.763 19.674 ( -6.252 -1.001 6.176) 8.845 20.352 ( 6.120 -1.166 -8.162) 10.268 20.446 ( -4.152 -4.034 -5.334) 7.872 21.031 ( 16.355 -6.708 0.701) 17.691 21.432 ( -18.901 -0.836 3.331) 19.210 21.604 ( 7.978 -4.069 -16.610) 18.871 21.926 ( -21.134 -4.635 -9.655) 23.693 23.676 ( 2.888 -3.548 -2.724) 5.324 23.737 ( -3.589 -3.404 -4.104) 6.427 24.386 ( 4.170 -24.736 9.819) 26.939 24.476 ( -5.242 -26.460 8.000) 28.136 28.549 ( 6.838 -3.160 1.739) 7.731 28.640 ( -2.638 -4.017 2.316) 5.334 28.925 ( 3.842 -8.257 -2.701) 9.499 28.954 ( 0.796 -6.649 -2.012) 6.992 31.552 ( 4.129 7.825 -2.056) 9.083 31.632 ( -4.068 7.629 -4.296) 9.655 32.293 ( 2.782 2.444 -3.039) 4.790 32.342 ( -2.285 3.208 -3.507) 5.274 33.364 ( 8.091 -0.754 5.335) 9.721 33.505 ( -5.110 -2.190 3.791) 6.729 33.803 ( 3.052 -12.749 3.674) 13.614 33.902 ( -6.081 -10.819 3.260) 12.832 ======================= Grid point 315 (106/200) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.688 ( 0.000 23.930 -1.284) 23.965 3.959 ( 0.000 24.303 6.994) 25.290 4.944 ( 0.000 2.585 -9.955) 10.285 4.949 ( 0.000 -3.653 -18.699) 19.053 5.244 ( 0.000 7.520 12.095) 14.243 6.074 ( 0.000 -12.740 -8.734) 15.447 6.289 ( 0.000 -3.909 15.280) 15.772 6.385 ( 0.000 26.700 -5.231) 27.208 6.440 ( 0.000 6.889 1.379) 7.026 7.247 ( 0.000 -9.047 -9.081) 12.818 7.541 ( 0.000 23.163 16.441) 28.405 7.928 ( 0.000 15.180 6.256) 16.418 19.542 ( 0.000 10.293 -12.490) 16.185 19.546 ( 0.000 1.447 -5.479) 5.667 20.176 ( 0.000 -5.035 -0.437) 5.054 20.434 ( 0.000 -11.102 -5.846) 12.547 20.645 ( 0.000 -12.637 -1.309) 12.704 21.050 ( 0.000 -6.618 -19.792) 20.869 22.998 ( 0.000 5.726 18.957) 19.803 23.421 ( 0.000 1.298 -0.896) 1.577 23.575 ( 0.000 0.528 -2.214) 2.276 23.689 ( 0.000 -8.229 2.956) 8.744 24.086 ( 0.000 -4.155 12.417) 13.094 24.988 ( 0.000 -19.002 -6.728) 20.158 27.629 ( 0.000 1.762 3.948) 4.323 28.165 ( 0.000 -7.963 -6.153) 10.063 28.468 ( 0.000 -4.670 2.264) 5.190 28.608 ( 0.000 -3.658 -0.237) 3.665 31.444 ( 0.000 3.525 -1.905) 4.007 31.741 ( 0.000 -3.381 -11.390) 11.882 32.443 ( 0.000 10.727 2.488) 11.012 32.457 ( 0.000 1.935 1.475) 2.433 33.139 ( 0.000 -1.106 -3.145) 3.334 33.200 ( 0.000 4.532 -2.779) 5.316 33.678 ( 0.000 -15.276 8.011) 17.249 33.901 ( 0.000 -16.609 5.400) 17.465 ======================= Grid point 316 (107/200) ======================= q-point: ( 0.11 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.713 ( 2.136 22.084 1.283) 22.224 3.939 ( -0.917 23.223 6.278) 24.074 4.718 ( -13.191 0.192 -11.472) 17.483 5.116 ( 7.847 -2.612 -17.453) 19.313 5.293 ( 4.410 7.991 10.685) 14.053 5.822 ( -18.715 -4.522 1.415) 19.306 6.270 ( -6.127 6.961 3.445) 9.893 6.458 ( 6.518 10.226 -4.136) 12.812 6.610 ( 14.041 3.397 3.036) 14.761 7.121 ( -8.733 1.189 -7.083) 11.307 7.623 ( 5.254 16.535 12.656) 21.476 7.927 ( -0.137 14.657 6.731) 16.130 19.473 ( -2.207 5.253 -7.954) 9.784 19.669 ( 7.349 5.610 -8.048) 12.258 20.153 ( -1.904 -4.213 -1.547) 4.875 20.449 ( 1.028 -10.622 -5.721) 12.108 20.601 ( -3.783 -12.817 -0.963) 13.398 21.050 ( 0.168 -5.700 -18.579) 19.435 22.837 ( -15.224 5.388 16.884) 23.364 23.454 ( 0.550 5.264 -1.987) 5.653 23.466 ( -7.090 -2.557 -0.563) 7.558 23.777 ( 5.525 -7.776 0.562) 9.556 24.029 ( -6.045 -6.720 12.122) 15.121 24.716 ( -23.888 -19.502 -4.624) 31.182 27.798 ( 14.937 0.750 2.936) 15.242 28.239 ( 7.344 -7.873 -4.793) 11.785 28.488 ( 1.963 -4.325 2.364) 5.305 28.643 ( 3.441 -3.684 -0.236) 5.046 31.465 ( 2.075 3.707 -1.743) 4.592 31.758 ( 1.614 -2.573 -11.190) 11.595 32.365 ( -4.699 5.379 3.066) 7.773 32.499 ( 1.034 5.429 -0.032) 5.526 33.137 ( 0.652 1.127 -1.661) 2.111 33.252 ( 4.484 2.026 -3.147) 5.841 33.659 ( -1.963 -14.828 8.159) 17.038 33.894 ( -0.823 -15.469 4.865) 16.237 ======================= Grid point 317 (108/200) ======================= q-point: ( 0.22 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.752 ( 2.247 16.302 9.388) 18.945 3.965 ( 3.164 20.705 2.066) 21.047 4.483 ( -9.376 1.221 -7.951) 12.353 5.225 ( -2.110 -7.666 -7.636) 11.024 5.343 ( -2.385 9.076 2.723) 9.771 5.509 ( -4.885 3.761 -5.134) 8.023 6.048 ( -17.036 1.790 3.681) 17.521 6.569 ( 4.311 9.076 -7.015) 12.255 6.857 ( 7.087 1.025 1.105) 7.246 7.063 ( 7.691 11.908 -4.527) 14.881 7.684 ( 0.621 14.800 11.435) 18.713 7.918 ( -0.919 13.081 7.218) 14.968 19.456 ( 0.455 4.099 -5.419) 6.809 19.793 ( 4.016 3.268 -2.388) 5.702 20.138 ( 1.581 -1.338 -7.450) 7.732 20.447 ( -1.716 -10.162 -6.015) 11.932 20.546 ( -0.492 -10.344 0.921) 10.396 21.073 ( 2.895 -5.124 -15.645) 16.715 22.466 ( -22.034 3.376 11.637) 25.146 23.169 ( -24.723 9.843 -4.222) 26.943 23.496 ( 1.440 -2.373 -0.201) 2.783 23.790 ( -8.447 -11.504 -1.550) 14.356 23.923 ( 1.166 -13.608 9.442) 16.603 24.298 ( -14.927 -18.225 0.763) 23.571 28.102 ( 14.920 -0.145 1.794) 15.029 28.425 ( 11.172 -7.847 -2.180) 13.826 28.535 ( 2.613 -3.418 2.677) 5.067 28.727 ( 4.788 -3.867 -0.161) 6.157 31.521 ( 3.642 4.273 -1.453) 5.799 31.795 ( 1.941 0.088 -10.285) 10.467 32.281 ( -3.619 2.082 2.964) 5.120 32.489 ( -1.925 3.365 -2.041) 4.381 33.174 ( 3.037 2.293 0.528) 3.843 33.355 ( 5.884 -0.154 -2.773) 6.506 33.608 ( -3.119 -13.162 8.138) 15.786 33.865 ( -2.299 -12.874 3.721) 13.597 ======================= Grid point 318 (109/200) ======================= q-point: ( 0.33 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.829 ( 5.802 10.071 14.595) 18.657 4.000 ( -0.024 13.529 2.583) 13.773 4.423 ( 3.242 3.650 -4.105) 6.378 4.952 ( -17.052 -3.224 4.459) 17.917 5.270 ( -5.430 12.087 -1.341) 13.318 5.614 ( -9.412 -1.274 -7.343) 12.005 5.721 ( 2.591 4.819 -11.760) 12.971 6.533 ( -8.300 -3.173 -15.752) 18.085 7.007 ( 11.706 19.382 5.826) 23.380 7.329 ( 15.185 7.378 0.774) 16.900 7.642 ( -5.025 15.814 11.152) 19.992 7.880 ( -3.358 10.878 6.535) 13.127 19.489 ( 2.968 3.179 -1.849) 4.726 19.791 ( -3.604 1.579 3.680) 5.387 20.210 ( 4.068 -3.037 -12.311) 13.317 20.391 ( -3.579 -8.951 -6.440) 11.593 20.638 ( 11.629 -2.830 1.784) 12.101 21.181 ( 8.392 -6.118 -11.583) 15.557 22.021 ( -23.531 1.071 3.769) 23.855 22.521 ( -38.300 5.503 -5.110) 39.030 23.516 ( 0.889 -5.193 0.530) 5.295 23.646 ( -4.944 -13.327 0.413) 14.220 23.976 ( 2.609 -13.105 3.932) 13.928 24.123 ( -5.242 -15.769 3.188) 16.921 28.347 ( 10.345 -0.584 1.800) 10.516 28.575 ( 1.337 -3.097 2.048) 3.946 28.635 ( 9.704 -6.725 0.370) 11.813 28.809 ( 3.280 -4.364 0.065) 5.460 31.601 ( 4.542 5.200 -1.462) 7.058 31.814 ( -0.438 4.269 -7.709) 8.823 32.242 ( -0.147 -2.217 1.087) 2.473 32.432 ( -3.747 0.348 -3.136) 4.899 33.248 ( 4.472 1.708 2.519) 5.410 33.464 ( 4.102 -1.717 -0.839) 4.525 33.549 ( -1.856 -10.371 6.506) 12.383 33.805 ( -3.901 -10.088 2.484) 11.098 ======================= Grid point 319 (110/200) ======================= q-point: ( 0.44 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.941 ( 4.764 6.822 14.874) 17.043 3.995 ( -0.700 8.950 8.573) 12.413 4.538 ( 7.241 -1.835 1.727) 7.667 4.695 ( -9.498 -2.213 2.702) 10.119 5.174 ( -1.886 14.067 -3.911) 14.721 5.285 ( -13.496 12.345 -5.725) 19.165 6.000 ( 16.413 -1.964 -20.380) 26.241 6.303 ( -14.504 -3.650 -19.575) 24.635 7.262 ( 13.378 19.956 9.412) 25.803 7.493 ( -10.047 17.794 10.288) 22.878 7.594 ( 11.740 7.378 3.163) 14.222 7.779 ( -7.346 8.778 4.859) 12.435 19.571 ( 5.464 2.953 1.666) 6.430 19.689 ( -6.261 2.651 3.853) 7.815 20.268 ( 2.532 -7.069 -9.344) 11.988 20.323 ( -3.249 -7.936 -7.322) 11.276 20.998 ( 24.301 2.921 0.624) 24.484 21.374 ( 5.697 -4.148 -0.781) 7.091 21.579 ( -16.860 0.320 -8.939) 19.086 21.846 ( -28.327 -2.907 -7.164) 29.364 23.538 ( 1.534 -7.820 0.900) 8.020 23.578 ( -2.604 -10.126 0.569) 10.471 24.017 ( 1.817 -14.008 3.012) 14.443 24.055 ( -2.403 -15.127 3.071) 15.622 28.502 ( 5.802 -1.166 2.240) 6.328 28.574 ( -1.726 -1.945 2.422) 3.554 28.783 ( 5.320 -6.090 0.516) 8.103 28.838 ( -0.501 -5.160 0.366) 5.197 31.691 ( 4.690 6.237 -2.207) 8.110 31.774 ( -3.527 6.551 -4.244) 8.566 32.275 ( 3.304 -4.011 -1.712) 5.472 32.353 ( -4.331 -2.502 -3.110) 5.890 33.340 ( 4.999 -0.576 4.207) 6.560 33.434 ( -4.468 -3.682 5.226) 7.800 33.612 ( 5.611 -6.324 0.482) 8.468 33.717 ( -5.107 -7.786 1.286) 9.400 ======================= Grid point 324 (111/200) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 290 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.139 ( 0.000 20.195 -6.935) 21.352 4.404 ( 0.000 18.715 2.055) 18.828 4.806 ( 0.000 -9.523 -13.555) 16.566 4.942 ( 0.000 -3.695 -5.852) 6.921 5.395 ( 0.000 7.663 8.688) 11.584 5.808 ( 0.000 -12.626 -2.932) 12.962 6.256 ( 0.000 1.628 9.479) 9.618 6.479 ( 0.000 -3.579 3.966) 5.342 6.819 ( 0.000 15.726 -6.038) 16.845 7.118 ( 0.000 -3.627 -9.444) 10.116 7.946 ( 0.000 15.891 14.073) 21.226 8.153 ( 0.000 6.204 8.609) 10.611 19.612 ( 0.000 4.862 -8.448) 9.748 19.728 ( 0.000 5.636 -17.193) 18.094 20.118 ( 0.000 -0.535 -0.896) 1.044 20.252 ( 0.000 -6.387 -3.961) 7.516 20.461 ( 0.000 -3.494 -2.666) 4.395 20.845 ( 0.000 -13.088 -20.407) 24.243 23.155 ( 0.000 10.061 22.058) 24.244 23.388 ( 0.000 -2.114 0.451) 2.162 23.489 ( 0.000 -6.076 -1.159) 6.186 23.571 ( 0.000 -6.026 8.335) 10.285 24.168 ( 0.000 8.628 5.605) 10.289 24.629 ( 0.000 -15.530 -1.685) 15.621 27.682 ( 0.000 3.809 0.672) 3.867 27.974 ( 0.000 -9.864 -5.743) 11.414 28.437 ( 0.000 0.759 2.961) 3.057 28.536 ( 0.000 -3.345 0.462) 3.376 31.506 ( 0.000 2.958 -4.097) 5.053 31.660 ( 0.000 -4.345 -8.808) 9.822 32.509 ( 0.000 3.315 0.557) 3.362 32.596 ( 0.000 3.383 -0.850) 3.488 33.155 ( 0.000 3.386 0.575) 3.434 33.267 ( 0.000 2.084 -1.551) 2.597 33.446 ( 0.000 -7.272 5.462) 9.095 33.592 ( 0.000 -13.596 3.817) 14.122 ======================= Grid point 325 (112/200) ======================= q-point: ( 0.11 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.129 ( -1.938 18.541 -2.846) 18.858 4.370 ( -1.880 18.992 1.505) 19.144 4.662 ( -11.562 -6.074 -8.033) 15.333 4.978 ( 2.537 -10.181 -10.693) 14.981 5.462 ( 5.291 8.452 5.819) 11.545 5.750 ( -7.223 -3.596 -3.018) 8.615 6.240 ( -3.577 -2.579 5.477) 7.032 6.425 ( -2.737 -6.897 5.320) 9.130 6.906 ( 8.012 14.328 -5.237) 17.231 7.134 ( 2.416 0.598 -8.999) 9.337 7.964 ( 1.366 14.449 13.622) 19.904 8.148 ( -0.647 6.233 8.907) 10.891 19.589 ( -1.515 6.491 -9.298) 11.440 19.777 ( 3.845 2.649 -13.346) 14.140 20.098 ( -1.398 -1.489 -1.691) 2.652 20.260 ( -0.348 -8.190 -3.916) 9.085 20.447 ( 0.006 0.260 -3.147) 3.158 20.871 ( 2.352 -11.776 -19.783) 23.143 23.001 ( -15.184 11.376 21.099) 28.375 23.370 ( -2.772 -2.743 1.429) 4.153 23.483 ( 0.106 -4.261 0.052) 4.262 23.594 ( 1.366 -10.961 7.076) 13.118 24.045 ( -13.651 6.089 3.626) 15.381 24.390 ( -20.269 -12.034 -2.928) 23.753 27.826 ( 13.178 2.422 1.011) 13.437 28.060 ( 8.409 -8.761 -4.168) 12.839 28.463 ( 2.518 0.972 2.963) 4.008 28.569 ( 3.265 -3.478 0.406) 4.788 31.531 ( 2.512 3.168 -3.795) 5.545 31.687 ( 2.749 -4.097 -8.567) 9.886 32.448 ( -5.373 3.922 1.272) 6.772 32.580 ( -2.319 0.896 -1.842) 3.094 33.181 ( 2.547 4.239 1.051) 5.056 33.293 ( 2.495 1.515 -1.479) 3.273 33.439 ( -0.601 -6.584 5.538) 8.624 33.603 ( 0.917 -13.003 3.303) 13.447 ======================= Grid point 326 (113/200) ======================= q-point: ( 0.22 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.058 ( -3.983 13.557 6.366) 15.498 4.333 ( -5.618 12.358 -1.039) 13.615 4.484 ( -2.463 1.717 -4.154) 5.125 5.010 ( -1.608 -12.461 -8.513) 15.177 5.521 ( -0.484 6.511 0.264) 6.534 5.587 ( -5.865 4.166 -5.594) 9.113 6.054 ( -13.316 0.987 1.576) 13.445 6.419 ( -0.804 -13.321 -3.654) 13.837 7.102 ( 11.841 12.856 -1.199) 17.519 7.244 ( 9.456 5.452 -4.548) 11.825 7.977 ( -0.520 12.427 12.585) 17.694 8.123 ( -2.070 6.111 9.165) 11.208 19.572 ( -0.039 7.256 -7.129) 10.172 19.834 ( 1.453 -0.187 -6.101) 6.274 20.083 ( -0.268 -4.141 -4.855) 6.387 20.230 ( -1.801 -9.632 -3.060) 10.265 20.508 ( 6.585 6.242 -5.373) 10.545 20.933 ( 4.328 -9.150 -17.832) 20.504 22.602 ( -25.053 10.870 17.355) 32.357 23.200 ( -21.707 -6.899 1.814) 22.849 23.469 ( -2.826 -9.217 5.587) 11.143 23.581 ( -5.519 -8.999 1.840) 10.715 23.697 ( -9.026 4.365 -1.354) 10.117 24.077 ( -11.163 -7.420 -2.759) 13.685 28.109 ( 14.450 1.035 1.494) 14.563 28.266 ( 12.019 -6.947 -1.163) 13.930 28.523 ( 3.416 1.387 3.009) 4.759 28.647 ( 4.366 -3.859 0.394) 5.841 31.600 ( 4.548 3.821 -3.061) 6.682 31.762 ( 4.832 -3.169 -7.910) 9.796 32.328 ( -6.704 3.196 1.776) 7.636 32.502 ( -5.457 -2.424 -2.682) 6.546 33.243 ( 3.580 5.122 1.649) 6.463 33.356 ( 3.832 0.036 -1.050) 3.973 33.427 ( -0.569 -4.803 5.415) 7.260 33.617 ( 0.317 -11.359 2.332) 11.600 ======================= Grid point 327 (114/200) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.026 ( 1.136 9.071 10.906) 14.230 4.209 ( -4.002 5.113 1.371) 6.636 4.495 ( -0.555 5.327 1.224) 5.493 4.855 ( -12.550 -6.848 -0.057) 14.298 5.452 ( -4.818 5.692 -2.951) 8.019 5.615 ( 6.896 0.072 -14.443) 16.005 5.814 ( -9.587 7.485 -6.596) 13.836 6.336 ( -7.772 -13.298 -13.172) 20.267 7.347 ( 13.210 12.730 3.611) 18.698 7.478 ( 13.613 5.394 1.208) 14.692 7.930 ( -4.485 11.608 11.264) 16.785 8.059 ( -4.797 5.653 8.542) 11.311 19.596 ( 2.712 7.230 -3.171) 8.347 19.836 ( -1.128 2.024 -0.665) 2.411 20.074 ( -0.480 -8.075 -5.458) 9.759 20.198 ( -2.110 -9.108 -4.381) 10.325 20.715 ( 15.279 7.947 -6.458) 18.394 21.056 ( 8.908 -6.771 -13.821) 17.782 22.087 ( -27.033 6.616 9.734) 29.484 22.522 ( -40.757 -6.958 -0.762) 41.353 23.422 ( -0.821 -4.662 4.776) 6.725 23.509 ( -2.338 3.638 -0.274) 4.333 23.687 ( 1.962 -12.597 0.780) 12.773 23.910 ( -6.785 -9.259 -2.181) 11.684 28.351 ( 10.408 1.113 2.082) 10.673 28.487 ( 9.850 -5.178 0.498) 11.139 28.582 ( 2.616 1.002 3.287) 4.318 28.719 ( 2.633 -4.407 0.646) 5.174 31.702 ( 5.842 4.927 -2.288) 7.977 31.861 ( 4.899 -0.330 -6.905) 8.473 32.204 ( -5.623 0.028 1.608) 5.848 32.381 ( -6.852 -5.009 -2.967) 8.991 33.310 ( 3.168 4.608 2.223) 6.017 33.416 ( -0.664 -2.388 4.852) 5.448 33.434 ( 4.151 -1.937 -0.386) 4.597 33.610 ( -1.170 -9.058 1.488) 9.253 ======================= Grid point 328 (115/200) ======================= q-point: ( 0.44 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 506 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.094 ( 5.364 7.936 11.408) 14.896 4.183 ( -1.608 8.889 6.309) 11.018 4.456 ( 0.654 -5.077 6.673) 8.410 4.606 ( -12.312 -6.606 3.492) 14.401 5.434 ( 3.932 12.216 -8.937) 15.638 5.571 ( -8.749 14.708 -11.030) 20.360 5.885 ( 12.713 -8.371 -17.992) 23.567 6.136 ( -12.365 -11.445 -17.557) 24.333 7.596 ( 12.170 12.370 7.216) 18.793 7.731 ( 11.972 4.921 4.537) 13.717 7.802 ( -8.713 11.725 9.727) 17.550 7.932 ( -8.493 5.084 7.011) 12.130 19.677 ( 5.434 7.310 0.046) 9.109 19.782 ( -4.588 6.272 1.146) 7.855 20.085 ( 2.020 -10.192 -5.412) 11.715 20.142 ( -3.354 -9.385 -5.176) 11.231 21.097 ( 23.738 5.688 -3.846) 24.711 21.292 ( 15.512 -3.987 -7.254) 17.582 21.596 ( -23.193 2.053 0.039) 23.283 21.785 ( -33.123 -4.044 -4.944) 33.733 23.429 ( 1.262 -1.651 3.627) 4.181 23.464 ( -2.231 0.634 2.207) 3.202 23.735 ( 2.965 -13.155 -0.487) 13.494 23.804 ( -4.361 -11.534 -1.446) 12.415 28.507 ( 5.724 1.643 2.538) 6.474 28.571 ( -0.836 1.618 2.232) 2.881 28.668 ( 5.552 -5.158 1.956) 7.827 28.735 ( -1.224 -4.980 1.175) 5.261 31.818 ( 5.949 6.414 -2.057) 8.986 31.905 ( -1.701 6.248 -4.087) 7.658 32.154 ( 1.787 -6.883 -0.770) 7.153 32.248 ( -6.579 -7.060 -2.805) 10.049 33.363 ( 2.295 2.847 3.038) 4.754 33.398 ( -1.317 0.329 3.976) 4.201 33.511 ( 3.667 -4.191 0.258) 5.575 33.572 ( -2.643 -6.587 0.845) 7.148 ======================= Grid point 333 (116/200) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.495 ( 0.000 -13.656 -11.978) 18.165 4.495 ( 0.000 13.656 -11.978) 18.165 4.782 ( 0.000 -10.822 0.585) 10.838 4.782 ( 0.000 10.822 0.585) 10.838 5.574 ( 0.000 -10.191 3.051) 10.637 5.574 ( 0.000 10.191 3.051) 10.637 6.352 ( 0.000 -6.947 5.059) 8.594 6.352 ( 0.000 6.947 5.059) 8.594 7.036 ( 0.000 -6.195 -7.281) 9.560 7.036 ( 0.000 6.195 -7.281) 9.560 8.165 ( 0.000 -5.206 11.159) 12.313 8.165 ( 0.000 5.206 11.159) 12.313 19.722 ( 0.000 -4.728 -12.528) 13.390 19.722 ( 0.000 4.728 -12.528) 13.390 20.152 ( 0.000 -3.667 -2.431) 4.399 20.152 ( 0.000 3.667 -2.431) 4.399 20.567 ( 0.000 -12.222 -12.646) 17.587 20.567 ( 0.000 12.222 -12.646) 17.587 23.384 ( 0.000 -7.504 13.134) 15.126 23.384 ( 0.000 7.504 13.134) 15.126 23.397 ( 0.000 -1.262 3.367) 3.596 23.397 ( 0.000 1.262 3.367) 3.596 24.366 ( 0.000 -10.754 1.368) 10.841 24.366 ( 0.000 10.754 1.368) 10.841 27.794 ( 0.000 -7.326 -2.753) 7.826 27.794 ( 0.000 7.326 -2.753) 7.826 28.474 ( 0.000 -2.605 1.637) 3.076 28.474 ( 0.000 2.605 1.637) 3.076 31.575 ( 0.000 -3.841 -6.267) 7.350 31.575 ( 0.000 3.841 -6.267) 7.350 32.584 ( 0.000 -3.335 -1.360) 3.602 32.584 ( 0.000 3.335 -1.360) 3.602 33.265 ( 0.000 -4.351 2.151) 4.853 33.265 ( 0.000 4.351 2.151) 4.853 33.389 ( 0.000 -3.363 2.466) 4.171 33.389 ( 0.000 3.363 2.466) 4.171 ======================= Grid point 335 (117/200) ======================= q-point: ( 0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.456 ( -5.711 -13.074 -6.170) 15.544 4.456 ( -5.711 13.074 -6.170) 15.544 4.722 ( -2.571 -14.649 -2.986) 15.170 4.722 ( -2.571 14.649 -2.986) 15.170 5.632 ( 3.141 -7.817 -0.172) 8.426 5.632 ( 3.141 7.817 -0.172) 8.426 6.277 ( -6.310 -5.972 5.202) 10.126 6.277 ( -6.310 5.972 5.202) 10.126 7.101 ( 6.317 -4.965 -6.710) 10.468 7.101 ( 6.317 4.965 -6.710) 10.468 8.164 ( -0.192 -4.711 11.232) 12.181 8.164 ( -0.192 4.711 11.232) 12.181 19.728 ( 0.546 -6.263 -11.726) 13.305 19.728 ( 0.546 6.263 -11.726) 13.305 20.123 ( -2.432 -4.481 -1.298) 5.261 20.123 ( -2.432 4.481 -1.298) 5.261 20.606 ( 3.877 -12.687 -13.440) 18.885 20.606 ( 3.877 12.687 -13.440) 18.885 23.279 ( -11.507 -13.540 15.412) 23.522 23.279 ( -11.507 13.540 15.412) 23.522 23.403 ( 0.549 -1.652 2.169) 2.782 23.403 ( 0.549 1.652 2.169) 2.782 24.198 ( -15.139 -8.068 -1.518) 17.221 24.198 ( -15.139 8.068 -1.518) 17.221 27.909 ( 10.780 -5.807 -1.504) 12.336 27.909 ( 10.780 5.807 -1.504) 12.336 28.504 ( 2.913 -2.808 1.564) 4.338 28.504 ( 2.913 2.808 1.564) 4.338 31.603 ( 2.871 -3.936 -5.931) 7.676 31.603 ( 2.871 3.936 -5.931) 7.676 32.535 ( -4.756 -4.188 -1.144) 6.440 32.535 ( -4.756 4.188 -1.144) 6.440 33.294 ( 2.655 -3.500 1.854) 4.769 33.294 ( 2.655 3.500 1.854) 4.769 33.397 ( 0.762 -4.480 2.447) 5.161 33.397 ( 0.762 4.480 2.447) 5.161 ======================= Grid point 337 (118/200) ======================= q-point: ( 0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.292 ( -8.762 -9.012 2.854) 12.890 4.292 ( -8.762 9.012 2.854) 12.890 4.728 ( 1.007 -14.994 -6.748) 16.473 4.728 ( 1.007 14.994 -6.748) 16.473 5.612 ( -4.687 -2.399 -3.402) 6.269 5.612 ( -4.687 2.399 -3.402) 6.269 6.166 ( -5.039 -10.184 -0.696) 11.384 6.166 ( -5.039 10.184 -0.696) 11.384 7.269 ( 10.936 -3.339 -3.045) 11.833 7.269 ( 10.936 3.339 -3.045) 11.833 8.148 ( -1.769 -3.809 11.007) 11.781 8.148 ( -1.769 3.809 11.007) 11.781 19.738 ( 0.622 -8.196 -8.718) 11.982 19.738 ( 0.622 8.196 -8.718) 11.982 20.081 ( -1.806 -4.554 -0.441) 4.919 20.081 ( -1.806 4.554 -0.441) 4.919 20.711 ( 7.135 -11.767 -13.996) 19.628 20.711 ( 7.135 11.767 -13.996) 19.628 22.904 ( -27.243 -17.719 14.194) 35.463 22.904 ( -27.243 17.719 14.194) 35.463 23.419 ( 1.202 -4.499 2.014) 5.074 23.419 ( 1.202 4.499 2.014) 5.074 23.902 ( -13.268 -10.274 -4.189) 17.296 23.902 ( -13.268 10.274 -4.189) 17.296 28.156 ( 13.566 -3.809 0.601) 14.103 28.156 ( 13.566 3.809 0.601) 14.103 28.573 ( 3.827 -3.264 1.477) 5.242 28.573 ( 3.827 3.264 1.477) 5.242 31.682 ( 5.284 -4.219 -5.042) 8.435 31.682 ( 5.284 4.219 -5.042) 8.435 32.416 ( -7.256 -5.058 -0.944) 8.895 32.416 ( -7.256 5.058 -0.944) 8.895 33.351 ( 2.914 -1.673 1.560) 3.704 33.351 ( 2.914 1.673 1.560) 3.704 33.418 ( 1.351 -6.561 2.257) 7.069 33.418 ( 1.351 6.561 2.257) 7.069 ======================= Grid point 339 (119/200) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.184 ( -1.586 -5.808 6.371) 8.766 4.184 ( -1.586 5.808 6.371) 8.766 4.672 ( -8.015 -10.353 -0.049) 13.093 4.672 ( -8.015 10.353 -0.049) 13.093 5.557 ( 1.429 -4.834 -9.007) 10.322 5.557 ( 1.429 4.834 -9.007) 10.322 6.050 ( -7.555 -13.948 -9.711) 18.599 6.050 ( -7.555 13.948 -9.711) 18.599 7.507 ( 13.171 -3.014 2.006) 13.659 7.507 ( 13.171 3.014 2.006) 13.659 8.086 ( -4.874 -3.259 10.019) 11.609 8.086 ( -4.874 3.259 10.019) 11.609 19.767 ( 2.775 -8.512 -4.708) 10.116 19.767 ( 2.775 8.512 -4.708) 10.116 20.041 ( -2.784 -5.327 -1.056) 6.102 20.041 ( -2.784 5.327 -1.056) 6.102 20.895 ( 12.346 -8.858 -12.173) 19.470 20.895 ( 12.346 8.858 -12.173) 19.470 22.294 ( -33.685 -12.687 7.349) 36.738 22.294 ( -33.685 12.687 7.349) 36.738 23.451 ( 2.094 -6.545 1.784) 7.100 23.451 ( 2.094 6.545 1.784) 7.100 23.703 ( -7.807 -10.285 -2.304) 13.117 23.703 ( -7.807 10.285 -2.304) 13.117 28.397 ( 10.908 -3.444 1.896) 11.595 28.397 ( 10.908 3.444 1.896) 11.595 28.635 ( 2.099 -3.693 1.598) 4.538 28.635 ( 2.099 3.693 1.598) 4.538 31.802 ( 6.980 -4.627 -3.880) 9.229 31.802 ( 6.980 4.627 -3.880) 9.229 32.265 ( -8.182 -5.337 -1.151) 9.837 32.265 ( -8.182 5.337 -1.151) 9.837 33.400 ( 2.168 -1.283 1.675) 3.025 33.400 ( 2.168 1.283 1.675) 3.025 33.443 ( 1.003 -6.713 1.880) 7.043 33.443 ( 1.003 6.713 1.880) 7.043 ======================= Grid point 341 (120/200) ======================= q-point: ( 0.44 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.243 ( 7.576 -5.288 7.603) 11.965 4.243 ( 7.576 5.288 7.603) 11.965 4.451 ( -12.832 -6.940 6.171) 15.840 4.451 ( -12.832 6.940 6.171) 15.840 5.674 ( 9.417 -10.903 -14.114) 20.168 5.674 ( 9.417 10.903 -14.114) 20.168 5.873 ( -10.397 -13.714 -14.207) 22.316 5.873 ( -10.397 13.714 -14.207) 22.316 7.754 ( 11.957 -3.136 5.755) 13.636 7.754 ( 11.957 3.136 5.755) 13.636 7.955 ( -8.676 -3.138 8.282) 12.398 7.955 ( -8.676 3.138 8.282) 12.398 19.850 ( 5.587 -7.845 -2.297) 9.901 19.850 ( 5.587 7.845 -2.297) 9.901 19.962 ( -5.370 -6.556 -1.576) 8.620 19.962 ( -5.370 6.556 -1.576) 8.620 21.205 ( 20.111 -4.722 -7.405) 21.944 21.205 ( 20.111 4.722 -7.405) 21.944 21.678 ( -28.862 -5.586 -0.440) 29.401 21.678 ( -28.862 5.586 -0.440) 29.401 23.502 ( 3.326 -7.915 1.109) 8.657 23.502 ( 3.326 7.915 1.109) 8.657 23.582 ( -5.048 -8.994 -0.214) 10.316 23.582 ( -5.048 8.994 -0.214) 10.316 28.565 ( 6.350 -3.738 2.204) 7.691 28.565 ( 6.350 3.738 2.204) 7.691 28.641 ( -1.647 -3.876 1.942) 4.638 28.641 ( -1.647 3.876 1.942) 4.638 31.947 ( 7.950 -5.021 -2.727) 9.791 31.947 ( 7.950 5.021 -2.727) 9.791 32.105 ( -8.331 -5.281 -1.776) 10.022 32.105 ( -8.331 5.281 -1.776) 10.022 33.434 ( 1.381 -2.615 1.752) 3.438 33.434 ( 1.381 2.615 1.752) 3.438 33.451 ( -0.234 -4.792 1.729) 5.100 33.451 ( -0.234 4.792 1.729) 5.100 ======================= Grid point 405 (121/200) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 0.000 0.000 34.125) 34.125 2.425 ( 0.000 0.000 41.631) 41.631 3.260 ( 0.000 0.000 -23.149) 23.149 3.646 ( 0.000 0.000 19.274) 19.274 4.213 ( 0.000 0.000 2.552) 2.552 4.874 ( 0.000 0.000 8.484) 8.484 5.206 ( 0.000 0.000 -8.266) 8.266 5.754 ( 0.000 0.000 28.719) 28.719 5.831 ( 0.000 0.000 -40.288) 40.288 6.756 ( 0.000 0.000 -22.110) 22.110 7.402 ( 0.000 0.000 20.632) 20.632 8.019 ( 0.000 0.000 -11.596) 11.596 20.108 ( 0.000 0.000 15.844) 15.844 20.424 ( 0.000 0.000 4.944) 4.944 20.642 ( 0.000 0.000 -6.213) 6.213 20.826 ( 0.000 0.000 -21.154) 21.154 21.833 ( 0.000 0.000 11.974) 11.974 22.069 ( 0.000 0.000 9.543) 9.543 22.269 ( 0.000 0.000 -10.185) 10.185 22.477 ( 0.000 0.000 -10.855) 10.855 23.352 ( 0.000 0.000 6.440) 6.440 23.422 ( 0.000 0.000 3.673) 3.673 26.276 ( 0.000 0.000 4.080) 4.080 26.420 ( 0.000 0.000 -3.133) 3.133 27.660 ( 0.000 0.000 17.485) 17.485 28.563 ( 0.000 0.000 -29.201) 29.201 29.041 ( 0.000 0.000 2.824) 2.824 29.194 ( 0.000 0.000 -4.938) 4.938 30.490 ( 0.000 0.000 9.590) 9.590 30.851 ( 0.000 0.000 -8.629) 8.629 31.561 ( 0.000 0.000 3.488) 3.488 31.695 ( 0.000 0.000 -3.245) 3.245 32.943 ( 0.000 0.000 14.951) 14.951 33.394 ( 0.000 0.000 -9.378) 9.378 35.396 ( 0.000 0.000 13.566) 13.566 35.878 ( 0.000 0.000 -11.104) 11.104 ======================= Grid point 406 (122/200) ======================= q-point: ( 0.11 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 13.445 0.000 31.556) 34.301 2.452 ( 4.369 0.000 38.146) 38.395 3.334 ( 7.540 0.000 -22.156) 23.404 3.711 ( 2.957 0.000 -6.770) 7.388 4.296 ( 12.014 0.000 27.855) 30.335 4.824 ( -5.162 0.000 8.681) 10.100 5.164 ( -4.376 0.000 -8.446) 9.512 5.662 ( -8.984 0.000 26.397) 27.884 5.998 ( 14.707 0.000 -37.394) 40.182 6.547 ( -17.780 0.000 -13.397) 22.262 7.488 ( 5.192 0.000 9.925) 11.201 7.945 ( -6.997 0.000 -10.082) 12.272 20.047 ( -5.315 0.000 17.606) 18.391 20.433 ( 1.005 0.000 4.955) 5.056 20.645 ( 0.305 0.000 -5.793) 5.801 20.760 ( -6.641 0.000 -17.813) 19.011 21.805 ( -2.719 0.000 11.312) 11.635 21.911 ( -12.765 0.000 11.814) 17.393 22.223 ( -4.668 0.000 -9.829) 10.882 22.376 ( -9.593 0.000 -12.157) 15.486 23.377 ( 2.159 0.000 7.190) 7.507 23.505 ( 5.924 0.000 0.198) 5.927 26.306 ( 2.800 0.000 2.869) 4.009 26.403 ( -0.222 0.000 -1.440) 1.457 27.941 ( 25.018 0.000 6.876) 25.946 28.632 ( 6.441 0.000 -24.850) 25.671 29.073 ( 3.452 0.000 0.290) 3.464 29.197 ( 0.380 0.000 -4.766) 4.781 30.505 ( 1.493 0.000 9.103) 9.225 30.843 ( -0.893 0.000 -7.846) 7.897 31.569 ( 0.748 0.000 3.040) 3.130 31.694 ( -0.151 0.000 -3.162) 3.165 32.978 ( 3.519 0.000 15.037) 15.444 33.415 ( 2.120 0.000 -8.626) 8.883 35.337 ( -5.874 0.000 12.392) 13.714 35.717 ( -15.303 0.000 -5.645) 16.311 ======================= Grid point 407 (123/200) ======================= q-point: ( 0.22 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.650 ( 16.586 0.000 28.475) 32.954 2.651 ( 21.618 0.000 26.001) 33.814 3.536 ( 12.879 0.000 -19.461) 23.336 3.724 ( 0.807 0.000 -24.331) 24.344 4.677 ( -9.935 0.000 9.159) 13.512 4.690 ( 25.221 0.000 44.762) 51.379 5.039 ( -8.554 0.000 -8.986) 12.406 5.418 ( -15.335 0.000 24.814) 29.170 6.042 ( -20.290 0.000 -8.307) 21.925 6.453 ( 18.235 0.000 -33.961) 38.547 7.468 ( -9.811 0.000 4.266) 10.698 7.809 ( -5.224 0.000 -9.759) 11.069 19.953 ( -3.364 0.000 19.552) 19.839 20.463 ( 2.074 0.000 4.935) 5.353 20.583 ( -11.075 0.000 -8.207) 13.784 20.652 ( 0.338 0.000 -4.428) 4.441 21.691 ( -8.763 0.000 6.297) 10.791 21.739 ( -3.761 0.000 9.200) 9.939 22.098 ( -7.952 0.000 -8.751) 11.824 22.148 ( -13.091 0.000 -14.600) 19.609 23.417 ( 1.753 0.000 8.330) 8.513 23.579 ( 1.335 0.000 -0.425) 1.401 26.366 ( 3.310 0.000 0.776) 3.400 26.442 ( 3.752 0.000 -2.127) 4.313 28.450 ( 23.984 0.000 -5.734) 24.660 28.773 ( 7.437 0.000 -13.893) 15.758 29.173 ( 5.871 0.000 -5.901) 8.324 29.222 ( 3.423 0.000 -6.983) 7.777 30.546 ( 2.621 0.000 7.719) 8.152 30.817 ( -1.703 0.000 -5.764) 6.010 31.589 ( 1.250 0.000 1.913) 2.286 31.689 ( -0.362 0.000 -2.901) 2.924 33.077 ( 6.661 0.000 15.109) 16.512 33.470 ( 3.250 0.000 -6.169) 6.972 35.179 ( -10.257 0.000 10.268) 14.514 35.368 ( -18.653 0.000 2.492) 18.819 ======================= Grid point 408 (124/200) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( 25.469 0.000 18.652) 31.568 3.100 ( 24.110 0.000 20.309) 31.524 3.800 ( 13.062 0.000 -14.514) 19.526 3.804 ( 7.478 0.000 -19.204) 20.608 4.455 ( -12.081 0.000 8.574) 14.815 4.838 ( -12.146 0.000 -9.844) 15.635 4.920 ( -12.591 0.000 25.899) 28.797 5.262 ( -0.722 0.000 23.108) 23.120 5.689 ( -2.515 0.000 9.243) 9.579 6.863 ( 21.554 0.000 -33.147) 39.539 7.137 ( -22.423 0.000 10.824) 24.899 7.716 ( -6.208 0.000 -15.801) 16.976 19.936 ( 1.680 0.000 18.737) 18.812 20.360 ( -11.432 0.000 2.549) 11.713 20.513 ( 3.011 0.000 4.653) 5.542 20.652 ( -0.467 0.000 -1.939) 1.994 21.585 ( -2.343 0.000 -4.137) 4.754 21.679 ( -1.883 0.000 5.434) 5.751 21.901 ( -11.919 0.000 -16.191) 20.104 21.932 ( -8.829 0.000 -6.848) 11.174 23.446 ( 1.410 0.000 8.667) 8.781 23.568 ( -1.932 0.000 2.414) 3.092 26.435 ( 3.761 0.000 -1.239) 3.960 26.512 ( 2.754 0.000 -3.976) 4.837 28.775 ( 9.633 0.000 -3.852) 10.375 28.903 ( 5.164 0.000 -6.059) 7.961 29.275 ( 6.504 0.000 -10.128) 12.036 29.348 ( 7.099 0.000 -15.792) 17.314 30.603 ( 3.200 0.000 5.620) 6.467 30.778 ( -2.394 0.000 -2.951) 3.800 31.615 ( 1.412 0.000 0.548) 1.514 31.679 ( -0.654 0.000 -2.433) 2.519 33.227 ( 8.593 0.000 14.534) 16.885 33.523 ( 1.630 0.000 -1.292) 2.081 34.961 ( -10.971 0.000 9.872) 14.759 35.062 ( -12.534 0.000 3.621) 13.046 ======================= Grid point 409 (125/200) ======================= q-point: ( 0.44 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.552 ( 21.971 0.000 15.022) 26.615 3.573 ( 25.026 0.000 11.624) 27.593 3.889 ( -9.187 0.000 4.304) 10.145 3.901 ( -4.048 0.000 -3.645) 5.448 4.349 ( 6.135 0.000 -5.267) 8.085 4.580 ( -14.041 0.000 -10.553) 17.564 4.680 ( -1.815 0.000 10.720) 10.872 4.932 ( -22.061 0.000 1.105) 22.089 6.084 ( 29.273 0.000 28.071) 40.557 6.645 ( -27.905 0.000 20.584) 34.675 7.249 ( 17.843 0.000 -28.588) 33.700 7.540 ( -12.157 0.000 -22.575) 25.641 20.012 ( 5.927 0.000 15.657) 16.742 20.159 ( -9.186 0.000 10.496) 13.948 20.574 ( 3.209 0.000 3.585) 4.811 20.628 ( -2.110 0.000 1.202) 2.428 21.594 ( 3.198 0.000 -11.885) 12.308 21.683 ( 2.527 0.000 0.556) 2.588 21.705 ( -8.120 0.000 -15.646) 17.628 21.776 ( -6.849 0.000 -3.822) 7.844 23.477 ( 1.947 0.000 7.774) 8.014 23.522 ( -2.565 0.000 5.567) 6.130 26.502 ( 2.849 0.000 -3.196) 4.281 26.535 ( -0.369 0.000 -4.382) 4.397 28.893 ( 3.965 0.000 0.203) 3.970 28.941 ( -0.816 0.000 -0.893) 1.209 29.403 ( 5.138 0.000 -16.898) 17.662 29.439 ( 1.626 0.000 -18.389) 18.461 30.666 ( 3.258 0.000 3.012) 4.437 30.726 ( -2.940 0.000 0.084) 2.941 31.641 ( 1.284 0.000 -0.713) 1.469 31.663 ( -0.991 0.000 -1.714) 1.980 33.392 ( 7.943 0.000 11.988) 14.381 33.508 ( -3.543 0.000 6.001) 6.969 34.824 ( -2.207 0.000 6.839) 7.186 34.875 ( -6.752 0.000 3.627) 7.664 ======================= Grid point 414 (126/200) ======================= q-point: ( 0.00 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 0.000 16.337 32.595) 36.460 2.527 ( 0.000 9.842 37.470) 38.741 3.444 ( 0.000 16.938 -21.345) 27.248 3.761 ( 0.000 12.075 12.163) 17.139 4.209 ( 0.000 1.726 2.015) 2.653 5.133 ( 0.000 21.396 12.617) 24.839 5.250 ( 0.000 4.047 -15.062) 15.596 5.753 ( 0.000 0.812 26.901) 26.913 5.975 ( 0.000 13.927 -31.093) 34.069 6.712 ( 0.000 -4.255 -21.526) 21.943 7.365 ( 0.000 -3.579 20.368) 20.680 7.974 ( 0.000 -4.344 -11.488) 12.282 20.034 ( 0.000 -6.907 12.165) 13.989 20.125 ( 0.000 -21.765 8.358) 23.315 20.622 ( 0.000 -1.956 -4.667) 5.060 20.890 ( 0.000 1.586 -18.307) 18.376 21.666 ( 0.000 -11.876 10.455) 15.822 22.053 ( 0.000 -16.329 -9.093) 18.690 22.227 ( 0.000 11.214 9.372) 14.615 22.638 ( 0.000 10.645 -11.154) 15.419 23.382 ( 0.000 2.824 7.524) 8.037 23.542 ( 0.000 10.538 -0.877) 10.574 26.096 ( 0.000 -16.900 5.030) 17.633 26.299 ( 0.000 -11.798 -5.315) 12.940 27.670 ( 0.000 1.156 16.349) 16.389 28.489 ( 0.000 -5.930 -25.914) 26.584 28.985 ( 0.000 -4.775 2.682) 5.477 29.124 ( 0.000 -6.196 -4.386) 7.591 30.656 ( 0.000 14.383 9.580) 17.282 31.049 ( 0.000 16.320 -11.163) 19.773 31.613 ( 0.000 5.078 3.607) 6.229 31.761 ( 0.000 6.366 -4.114) 7.580 32.947 ( 0.000 0.422 13.533) 13.540 33.363 ( 0.000 -2.995 -8.875) 9.366 35.296 ( 0.000 -9.607 12.829) 16.027 35.709 ( 0.000 -15.559 -7.183) 17.137 ======================= Grid point 415 (127/200) ======================= q-point: ( 0.11 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 12.289 14.888 30.685) 36.252 2.550 ( 4.177 10.437 34.359) 36.151 3.512 ( 7.089 16.301 -20.447) 27.093 3.799 ( 0.119 8.777 -13.935) 16.469 4.291 ( 11.720 2.964 26.392) 29.029 5.087 ( -4.276 21.018 13.562) 25.377 5.261 ( -0.344 8.893 -11.987) 14.929 5.659 ( -9.339 0.473 25.064) 26.752 6.089 ( 10.171 9.218 -30.842) 33.759 6.513 ( -16.298 -3.136 -13.878) 21.635 7.451 ( 5.349 -3.533 10.161) 12.014 7.904 ( -6.632 -3.950 -9.953) 12.595 19.978 ( -4.099 -7.268 14.949) 17.120 20.157 ( 2.090 -18.714 7.288) 20.191 20.604 ( -1.594 -3.096 -4.583) 5.756 20.856 ( -3.600 3.024 -16.453) 17.111 21.630 ( -3.391 -11.320 9.577) 15.211 22.012 ( -4.142 -15.724 -9.041) 18.605 22.090 ( -11.789 11.467 10.431) 19.475 22.524 ( -10.870 9.690 -11.808) 18.748 23.414 ( 2.673 3.247 7.702) 8.776 23.590 ( 3.455 7.637 -1.999) 8.617 26.121 ( 2.387 -17.506 3.987) 18.112 26.278 ( -1.041 -12.221 -3.269) 12.694 27.914 ( 21.864 -1.868 8.121) 23.398 28.567 ( 7.403 -5.131 -22.713) 24.434 29.014 ( 3.124 -5.038 0.794) 5.981 29.130 ( 0.644 -5.996 -4.283) 7.396 30.668 ( 1.203 14.133 9.010) 16.804 31.035 ( -1.478 15.788 -10.203) 18.856 31.626 ( 1.276 5.559 2.935) 6.414 31.762 ( 0.057 6.524 -3.990) 7.647 32.983 ( 3.649 0.528 13.655) 14.144 33.388 ( 2.528 -2.623 -8.228) 8.999 35.241 ( -5.497 -9.253 11.707) 15.902 35.568 ( -13.479 -13.783 -3.076) 19.522 ======================= Grid point 416 (128/200) ======================= q-point: ( 0.22 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.720 ( 15.096 7.068 26.217) 31.068 2.825 ( 20.732 15.180 25.600) 36.271 3.708 ( 12.641 15.430 -18.635) 27.298 3.764 ( -0.985 4.634 -24.874) 25.321 4.596 ( 12.450 2.913 27.780) 30.581 5.013 ( -0.737 19.796 21.325) 29.106 5.205 ( -4.983 15.531 -7.317) 17.877 5.411 ( -14.955 -0.363 23.548) 27.898 6.015 ( -20.509 -2.354 -7.058) 21.817 6.493 ( 17.305 4.116 -31.840) 36.472 7.441 ( -8.808 -2.468 4.468) 10.180 7.775 ( -5.024 -3.306 -9.346) 11.114 19.916 ( -1.646 -4.025 17.831) 18.353 20.189 ( 1.122 -16.289 6.820) 17.695 20.573 ( -1.519 -4.888 -3.927) 6.452 20.754 ( -6.696 5.015 -10.085) 13.103 21.559 ( -3.216 -8.961 5.218) 10.856 21.859 ( -10.790 7.819 8.179) 15.635 21.903 ( -6.834 -13.920 -9.042) 17.951 22.266 ( -14.784 6.937 -12.908) 20.816 23.462 ( 2.075 3.924 7.935) 9.092 23.631 ( 0.397 4.657 -1.209) 4.827 26.178 ( 3.348 -18.152 1.999) 18.566 26.287 ( 1.896 -14.497 -2.469) 14.827 28.363 ( 21.532 -6.633 -1.400) 22.574 28.733 ( 8.677 -3.114 -14.051) 16.805 29.105 ( 5.800 -5.969 -5.175) 9.801 29.158 ( 2.948 -5.796 -5.600) 8.582 30.701 ( 2.167 13.482 7.373) 15.518 30.995 ( -2.602 14.540 -7.799) 16.703 31.659 ( 1.999 6.646 1.411) 7.082 31.763 ( 0.023 6.972 -3.628) 7.860 33.086 ( 6.902 0.834 13.826) 15.475 33.454 ( 3.993 -1.583 -6.092) 7.454 35.093 ( -9.616 -8.297 9.542) 15.886 35.254 ( -17.259 -10.790 3.333) 20.625 ======================= Grid point 417 (129/200) ======================= q-point: ( 0.33 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( 23.922 4.505 17.144) 29.774 3.260 ( 23.603 13.921 20.431) 34.180 3.813 ( 6.147 1.724 -18.541) 19.609 3.971 ( 12.810 15.698 -14.153) 24.715 4.578 ( -9.219 10.270 11.662) 18.069 4.912 ( -15.644 5.141 13.623) 21.372 5.028 ( -13.477 12.186 -0.874) 18.190 5.302 ( -6.108 3.570 14.999) 16.584 5.724 ( 4.499 4.365 14.071) 15.404 6.876 ( 20.332 1.383 -31.170) 37.240 7.134 ( -21.097 -0.169 10.561) 23.593 7.686 ( -5.823 -2.760 -14.991) 16.318 19.925 ( 2.514 -1.408 17.823) 18.054 20.189 ( -1.635 -11.794 7.888) 14.283 20.545 ( -1.358 -4.274 -1.716) 4.801 20.626 ( -5.536 1.171 -2.827) 6.325 21.530 ( 0.647 -5.500 -2.436) 6.049 21.693 ( -6.146 1.803 3.024) 7.083 21.767 ( -6.847 -11.145 -8.695) 15.706 21.985 ( -13.836 3.567 -13.126) 19.403 23.495 ( 1.493 4.267 7.783) 9.001 23.612 ( -1.972 3.890 1.697) 4.679 26.245 ( 3.451 -18.432 0.163) 18.753 26.328 ( 1.744 -17.118 -3.090) 17.482 28.680 ( 11.274 -7.271 -1.219) 13.471 28.866 ( 4.308 -2.743 -5.047) 7.180 29.208 ( 5.663 -6.124 -9.633) 12.742 29.264 ( 6.356 -7.476 -13.178) 16.430 30.749 ( 2.830 12.721 4.876) 13.914 30.938 ( -3.237 13.237 -4.734) 14.426 31.699 ( 1.978 7.677 -0.166) 7.930 31.761 ( -0.216 7.589 -3.066) 8.187 33.241 ( 8.884 1.293 13.395) 16.125 33.523 ( 2.540 -0.066 -1.728) 3.073 34.884 ( -10.887 -7.377 9.191) 16.044 34.966 ( -11.881 -9.231 3.888) 15.540 ======================= Grid point 418 (130/200) ======================= q-point: ( 0.44 0.07 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.587 ( 23.903 2.324 10.157) 26.075 3.707 ( 21.880 13.518 15.497) 30.028 3.897 ( -3.605 0.848 -4.511) 5.837 4.047 ( -9.784 14.264 4.990) 18.003 4.486 ( 4.329 10.704 -1.116) 11.601 4.627 ( -8.169 2.995 4.065) 9.604 4.796 ( -7.802 12.197 -4.060) 15.038 4.955 ( -19.655 3.371 -3.003) 20.167 6.139 ( 27.738 5.631 26.822) 38.994 6.670 ( -26.348 2.623 19.689) 32.997 7.242 ( 17.040 -0.549 -27.106) 32.022 7.520 ( -11.589 -1.845 -21.459) 24.458 20.005 ( 5.445 -0.887 15.446) 16.401 20.117 ( -5.458 -4.257 11.474) 13.400 20.530 ( 0.243 -4.342 0.731) 4.409 20.555 ( -2.236 -5.651 -0.114) 6.078 21.590 ( 5.500 -1.680 -9.551) 11.149 21.626 ( -0.709 -4.072 -1.382) 4.358 21.658 ( -3.969 -7.176 -7.386) 11.036 21.749 ( -10.364 0.126 -11.439) 15.436 23.526 ( 1.844 4.279 6.786) 8.232 23.567 ( -2.383 4.044 4.690) 6.635 26.306 ( 2.679 -18.719 -1.609) 18.978 26.340 ( -0.660 -18.454 -2.910) 18.694 28.830 ( 5.111 -4.933 1.203) 7.205 28.892 ( -1.237 -3.642 0.181) 3.851 29.316 ( 4.344 -7.649 -14.678) 17.112 29.346 ( 1.490 -8.199 -16.024) 18.061 30.808 ( 3.245 12.251 1.825) 12.805 30.873 ( -3.413 12.397 -1.455) 12.940 31.732 ( 1.421 8.196 -1.414) 8.437 31.753 ( -0.729 8.103 -2.341) 8.466 33.410 ( 8.049 1.686 11.006) 13.739 33.523 ( -3.021 1.345 5.166) 6.134 34.744 ( -2.541 -7.761 6.512) 10.445 34.788 ( -6.407 -8.351 3.583) 11.119 ======================= Grid point 423 (131/200) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( 0.000 17.117 30.768) 35.209 2.811 ( 0.000 17.518 28.772) 33.686 3.872 ( 0.000 22.837 -19.666) 30.138 4.094 ( 0.000 15.378 -22.278) 27.070 4.391 ( 0.000 20.808 23.463) 31.360 5.371 ( 0.000 8.258 -21.753) 23.267 5.489 ( 0.000 6.791 23.829) 24.778 5.932 ( 0.000 21.819 16.349) 27.264 6.371 ( 0.000 23.486 -17.913) 29.537 6.592 ( 0.000 -6.913 -18.710) 19.946 7.264 ( 0.000 -6.018 19.313) 20.229 7.845 ( 0.000 -8.126 -11.108) 13.763 19.706 ( 0.000 -17.642 11.264) 20.931 19.853 ( 0.000 -10.130 5.100) 11.342 20.559 ( 0.000 -4.356 -2.272) 4.913 20.849 ( 0.000 -5.177 -15.226) 16.082 21.413 ( 0.000 -12.490 6.878) 14.258 21.674 ( 0.000 -19.899 -6.043) 20.797 22.476 ( 0.000 13.086 8.338) 15.517 22.853 ( 0.000 10.342 -9.350) 13.942 23.455 ( 0.000 3.976 9.433) 10.236 23.773 ( 0.000 10.150 -8.180) 13.036 25.641 ( 0.000 -26.220 7.213) 27.194 25.960 ( 0.000 -20.411 -9.400) 22.471 27.708 ( 0.000 2.238 14.378) 14.551 28.370 ( 0.000 -5.293 -19.197) 19.914 28.876 ( 0.000 -5.501 1.797) 5.787 28.968 ( 0.000 -8.667 -3.023) 9.179 30.982 ( 0.000 15.636 8.638) 17.863 31.369 ( 0.000 12.614 -12.432) 17.710 31.766 ( 0.000 9.859 4.047) 10.657 31.949 ( 0.000 11.712 -5.895) 13.111 32.964 ( 0.000 1.271 9.710) 9.793 33.281 ( 0.000 -4.688 -7.427) 8.783 35.020 ( 0.000 -16.918 11.134) 20.253 35.304 ( 0.000 -22.785 -1.108) 22.812 ======================= Grid point 424 (132/200) ======================= q-point: ( 0.11 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.779 ( 5.051 15.516 27.767) 32.206 2.881 ( 9.411 18.308 28.026) 34.774 3.917 ( 3.909 20.225 -20.066) 28.758 4.034 ( -4.433 13.664 -25.516) 29.282 4.534 ( 13.903 22.322 27.281) 37.892 5.423 ( -0.130 9.780 3.687) 10.453 5.476 ( 2.105 6.831 2.057) 7.438 5.827 ( -10.458 20.888 14.642) 27.569 6.344 ( -12.346 9.087 -9.088) 17.821 6.468 ( 0.362 5.802 -21.222) 22.003 7.355 ( 6.055 -5.445 10.563) 13.338 7.789 ( -5.350 -7.126 -9.465) 13.000 19.714 ( 1.005 -15.503 11.849) 19.538 19.876 ( 2.281 -9.970 5.626) 11.673 20.521 ( -3.445 -4.949 -1.910) 6.325 20.838 ( -1.456 -4.276 -14.502) 15.189 21.386 ( -2.232 -12.153 5.514) 13.531 21.642 ( -3.229 -19.682 -6.226) 20.894 22.340 ( -12.707 12.927 8.282) 19.929 22.729 ( -12.255 10.302 -10.448) 19.118 23.493 ( 3.207 4.100 8.577) 10.033 23.763 ( -0.962 7.877 -6.423) 10.209 25.647 ( 0.825 -27.334 6.744) 28.165 25.926 ( -2.649 -21.344 -6.774) 22.549 27.892 ( 16.806 -0.124 9.662) 19.386 28.463 ( 8.977 -4.754 -17.817) 20.509 28.899 ( 2.346 -5.772 0.955) 6.304 28.978 ( 1.050 -8.422 -2.991) 8.999 30.989 ( 0.708 15.480 7.969) 17.425 31.346 ( -2.301 12.542 -11.169) 16.951 31.787 ( 2.032 9.944 2.970) 10.575 31.950 ( 0.189 11.584 -5.647) 12.888 33.001 ( 3.833 1.298 9.958) 10.749 33.316 ( 3.500 -4.158 -7.052) 8.903 34.975 ( -4.558 -16.397 10.129) 19.804 35.203 ( -9.908 -20.888 0.952) 23.138 ======================= Grid point 425 (133/200) ======================= q-point: ( 0.22 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.935 ( 12.296 13.742 20.718) 27.736 3.167 ( 18.768 16.403 24.621) 35.036 3.885 ( -2.999 8.255 -21.456) 23.184 4.134 ( 11.858 23.351 -18.177) 31.879 4.803 ( 9.018 16.546 20.790) 28.059 5.371 ( -1.468 7.657 25.445) 26.613 5.468 ( -11.314 13.880 1.042) 17.937 5.593 ( -8.306 16.878 -1.067) 18.842 5.993 ( -17.743 3.904 -0.267) 18.169 6.632 ( 13.218 9.663 -25.254) 30.097 7.380 ( -5.711 -3.016 5.081) 8.218 7.683 ( -4.137 -5.269 -8.020) 10.450 19.754 ( 3.226 -11.532 12.883) 17.589 19.932 ( 3.315 -8.365 7.371) 11.632 20.445 ( -3.983 -6.945 -1.833) 8.213 20.776 ( -5.248 -2.568 -10.957) 12.418 21.355 ( -0.330 -10.520 0.346) 10.530 21.561 ( -4.754 -18.661 -6.338) 20.273 22.046 ( -16.370 10.235 6.929) 20.512 22.423 ( -18.164 8.402 -11.891) 23.279 23.551 ( 2.541 4.284 7.059) 8.639 23.737 ( -1.727 4.871 -3.256) 6.109 25.678 ( 2.303 -29.194 5.555) 29.807 25.885 ( -1.449 -24.074 -3.510) 24.371 28.250 ( 18.220 -3.758 4.086) 19.047 28.669 ( 10.797 -3.141 -13.234) 17.366 28.961 ( 3.852 -7.485 -2.694) 8.839 29.013 ( 2.886 -7.756 -3.642) 9.041 31.008 ( 1.348 15.032 6.083) 16.272 31.288 ( -3.540 12.480 -8.590) 15.558 31.837 ( 2.885 10.123 1.005) 10.574 31.955 ( 0.294 11.311 -4.959) 12.354 33.109 ( 7.274 1.410 10.454) 12.813 33.408 ( 5.709 -2.757 -5.698) 8.524 34.852 ( -7.901 -14.992 7.774) 18.644 34.958 ( -14.364 -17.344 4.719) 23.008 ======================= Grid point 426 (134/200) ======================= q-point: ( 0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.258 ( 20.468 10.227 13.518) 26.576 3.564 ( 21.397 13.162 17.525) 30.630 3.913 ( 6.244 8.852 -11.081) 15.496 4.381 ( 11.367 22.714 -13.667) 28.843 4.763 ( -10.207 6.737 16.091) 20.211 5.104 ( -20.696 14.040 10.488) 27.119 5.283 ( -14.051 5.662 7.694) 16.991 5.431 ( -10.773 13.859 -15.024) 23.104 5.923 ( 13.973 15.817 21.714) 30.281 6.930 ( 16.580 4.165 -25.530) 30.725 7.145 ( -16.920 1.862 9.922) 19.703 7.614 ( -4.593 -3.859 -12.364) 13.742 19.838 ( 5.288 -8.351 13.389) 16.642 19.993 ( 2.606 -5.434 10.495) 12.102 20.382 ( -2.195 -9.520 -3.075) 10.242 20.641 ( -8.261 -1.382 -6.184) 10.411 21.388 ( 3.829 -7.675 -5.997) 10.465 21.477 ( -3.392 -16.138 -5.501) 17.384 21.752 ( -13.139 3.820 3.611) 14.151 22.071 ( -17.559 4.677 -12.878) 22.272 23.590 ( 1.675 4.438 5.773) 7.472 23.699 ( -2.147 3.886 -0.243) 4.446 25.730 ( 3.010 -30.265 4.043) 30.682 25.864 ( -1.038 -27.287 -1.488) 27.347 28.552 ( 12.643 -4.736 2.972) 13.824 28.820 ( 3.918 -1.616 -3.332) 5.391 29.046 ( 5.030 -9.370 -9.885) 14.520 29.090 ( 4.449 -8.428 -7.457) 12.101 31.041 ( 1.991 14.370 3.331) 14.885 31.216 ( -3.801 12.615 -5.794) 14.393 31.891 ( 2.609 10.345 -0.651) 10.689 31.960 ( 0.076 11.052 -4.003) 11.754 33.273 ( 9.400 1.672 10.459) 14.162 33.516 ( 4.718 -0.739 -2.583) 5.429 34.674 ( -10.748 -12.825 7.353) 18.277 34.704 ( -10.175 -15.906 4.470) 19.403 ======================= Grid point 427 (135/200) ======================= q-point: ( 0.44 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.677 ( 21.185 6.484 8.210) 23.627 3.904 ( 6.215 4.213 1.883) 7.741 4.097 ( 13.097 18.537 10.391) 24.963 4.368 ( -11.484 12.888 9.750) 19.826 4.641 ( -2.781 8.577 5.043) 10.331 4.768 ( -13.438 6.847 5.353) 16.003 5.032 ( -1.274 12.453 -8.635) 15.208 5.204 ( -12.629 19.538 -14.096) 27.202 6.321 ( 23.450 12.404 23.017) 35.121 6.765 ( -21.825 7.162 16.955) 28.550 7.238 ( 14.593 0.587 -22.408) 26.748 7.476 ( -9.849 -1.970 -17.846) 20.479 19.944 ( 5.142 -6.436 13.459) 15.780 20.011 ( -1.310 -4.545 13.247) 14.067 20.381 ( 2.577 -8.034 -4.171) 9.411 20.482 ( -7.444 -2.799 -3.913) 8.863 21.445 ( 0.617 -12.072 -3.547) 12.598 21.474 ( 1.305 -6.776 -3.860) 7.907 21.593 ( 0.473 -1.450 -6.467) 6.644 21.767 ( -13.488 0.940 -12.840) 18.646 23.622 ( 1.688 4.386 4.345) 6.400 23.658 ( -2.042 4.073 2.358) 5.130 25.788 ( 2.854 -30.425 2.250) 30.641 25.836 ( -1.969 -29.527 0.318) 29.594 28.740 ( 7.040 -3.577 3.388) 8.593 28.830 ( -2.328 -2.322 2.311) 4.019 29.133 ( 3.213 -9.427 -12.304) 15.829 29.152 ( 1.361 -9.649 -11.590) 15.142 31.086 ( 2.715 13.639 0.211) 13.908 31.145 ( -3.414 13.012 -2.878) 13.757 31.933 ( 1.673 10.591 -1.902) 10.890 31.955 ( -0.631 10.826 -2.969) 11.244 33.451 ( 8.236 1.991 8.568) 12.050 33.554 ( -1.635 1.378 3.210) 3.857 34.521 ( -3.384 -13.655 5.609) 15.145 34.551 ( -5.603 -14.315 3.401) 15.744 ======================= Grid point 432 (136/200) ======================= q-point: ( 0.00 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.054 ( 0.000 16.633 25.227) 30.216 3.213 ( 0.000 21.303 19.587) 28.939 4.290 ( 0.000 16.701 -21.053) 26.873 4.329 ( 0.000 10.275 -23.524) 25.670 5.026 ( 0.000 36.409 16.419) 39.940 5.506 ( 0.000 -1.596 23.501) 23.555 5.606 ( 0.000 14.831 -17.664) 23.065 6.409 ( 0.000 -8.839 -18.230) 20.260 6.477 ( 0.000 25.680 15.415) 29.951 6.910 ( 0.000 26.044 -7.198) 27.020 7.150 ( 0.000 -3.176 16.609) 16.910 7.656 ( 0.000 -9.684 -10.090) 13.986 19.434 ( 0.000 -9.054 7.596) 11.819 19.649 ( 0.000 -9.240 -0.842) 9.278 20.446 ( 0.000 -6.551 -0.486) 6.569 20.702 ( 0.000 -8.813 -12.130) 14.993 21.172 ( 0.000 -10.957 1.055) 11.008 21.274 ( 0.000 -18.860 -3.124) 19.117 22.753 ( 0.000 13.984 7.683) 15.956 23.063 ( 0.000 10.352 -6.593) 12.273 23.532 ( 0.000 3.370 9.641) 10.213 23.897 ( 0.000 1.345 -9.729) 9.821 25.092 ( 0.000 -26.389 10.262) 28.314 25.525 ( 0.000 -20.987 -12.509) 24.433 27.746 ( 0.000 1.244 12.365) 12.428 28.271 ( 0.000 -4.708 -13.084) 13.906 28.768 ( 0.000 -5.057 0.297) 5.066 28.786 ( 0.000 -8.916 -1.265) 9.005 31.242 ( 0.000 9.488 5.797) 11.118 31.536 ( 0.000 4.380 -10.598) 11.467 32.005 ( 0.000 13.063 4.640) 13.863 32.198 ( 0.000 11.541 -5.666) 12.857 33.002 ( 0.000 2.530 4.625) 5.272 33.186 ( 0.000 -4.355 -5.318) 6.874 34.631 ( 0.000 -20.665 9.412) 22.708 34.825 ( 0.000 -23.606 1.597) 23.660 ======================= Grid point 433 (137/200) ======================= q-point: ( 0.11 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.119 ( 5.777 17.203 21.855) 28.407 3.258 ( 5.866 19.116 20.668) 28.758 4.195 ( -7.640 10.143 -20.238) 23.892 4.396 ( 6.655 17.608 -21.269) 28.402 5.131 ( 8.196 32.697 12.539) 35.965 5.474 ( -1.822 0.449 25.745) 25.814 5.687 ( 6.238 12.664 -18.205) 23.038 6.164 ( -18.695 1.857 1.282) 18.831 6.487 ( -5.183 18.737 3.725) 19.795 6.818 ( -3.562 16.974 -9.483) 19.767 7.280 ( 8.235 1.244 9.391) 12.552 7.634 ( -2.128 -6.995 -7.928) 10.785 19.461 ( 2.751 -8.862 7.794) 12.118 19.687 ( 3.791 -8.459 -0.543) 9.286 20.405 ( -3.980 -6.414 0.410) 7.560 20.705 ( -0.199 -8.327 -11.735) 14.390 21.151 ( -1.597 -10.813 -0.235) 10.933 21.244 ( -2.849 -18.701 -3.197) 19.185 22.610 ( -13.816 13.416 7.401) 20.631 22.945 ( -12.284 10.913 -7.820) 18.197 23.566 ( 2.774 2.675 7.867) 8.760 23.865 ( -3.002 1.525 -8.259) 8.919 25.075 ( -1.252 -27.445 10.246) 29.322 25.458 ( -5.725 -23.535 -8.997) 25.838 27.898 ( 13.933 0.352 9.512) 16.874 28.369 ( 9.491 -4.750 -12.485) 16.386 28.783 ( 1.332 -6.294 0.068) 6.434 28.808 ( 2.356 -7.209 -1.191) 7.677 31.249 ( 0.768 9.714 5.258) 11.072 31.522 ( -1.475 5.157 -9.829) 11.197 32.017 ( 1.250 12.214 3.854) 12.869 32.194 ( -0.422 11.151 -5.446) 12.416 33.036 ( 3.598 2.193 5.171) 6.671 33.231 ( 4.515 -3.857 -5.288) 7.951 34.596 ( -3.593 -20.251 8.663) 22.317 34.758 ( -6.617 -22.061 2.448) 23.162 ======================= Grid point 434 (138/200) ======================= q-point: ( 0.22 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.260 ( 9.622 17.559 14.522) 24.735 3.466 ( 14.727 13.440 20.042) 28.271 4.072 ( -3.263 9.518 -11.876) 15.566 4.585 ( 12.496 19.129 -20.274) 30.547 5.140 ( -8.939 11.746 10.112) 17.892 5.534 ( 2.765 11.855 16.589) 20.577 5.702 ( -10.879 2.002 -3.989) 11.759 5.817 ( -8.139 16.312 -0.263) 18.232 6.318 ( -8.502 21.996 6.920) 24.576 6.850 ( 6.446 9.217 -16.534) 19.997 7.365 ( -0.957 3.530 5.923) 6.961 7.593 ( -1.443 -2.076 -5.097) 5.690 19.537 ( 5.080 -8.532 8.365) 12.983 19.790 ( 6.657 -6.151 0.700) 9.091 20.306 ( -5.953 -6.623 1.561) 9.041 20.669 ( -3.865 -7.330 -9.328) 12.477 21.140 ( 0.596 -11.996 -4.868) 12.960 21.188 ( -1.730 -15.603 -3.289) 16.039 22.267 ( -20.648 11.188 5.996) 24.238 22.608 ( -21.522 9.788 -9.666) 25.543 23.616 ( 2.228 1.570 5.049) 5.737 23.801 ( -3.201 1.135 -5.076) 6.107 25.064 ( 0.392 -29.551 9.592) 31.071 25.349 ( -5.025 -27.637 -3.867) 28.355 28.202 ( 15.969 -1.439 6.116) 17.160 28.594 ( 12.518 -4.514 -10.946) 17.231 28.811 ( 1.410 -7.244 -0.104) 7.381 28.872 ( 3.999 -5.556 -2.062) 7.149 31.270 ( 1.290 10.211 3.731) 10.948 31.482 ( -2.474 6.876 -8.002) 10.837 32.051 ( 2.116 10.481 2.088) 10.895 32.184 ( -0.512 10.234 -4.790) 11.311 33.140 ( 7.017 1.505 6.319) 9.562 33.348 ( 7.259 -2.871 -4.806) 9.167 34.497 ( -6.607 -19.431 6.802) 21.621 34.587 ( -10.548 -18.381 4.186) 21.602 ======================= Grid point 435 (139/200) ======================= q-point: ( 0.33 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( 15.850 13.891 9.476) 23.108 3.770 ( 15.446 8.369 9.304) 19.879 4.127 ( 9.792 9.914 4.721) 14.712 4.784 ( -3.737 13.435 -2.721) 14.208 4.941 ( 0.018 13.861 -3.888) 14.396 5.236 ( -21.141 -3.523 2.654) 21.596 5.450 ( -17.825 13.683 4.053) 22.833 5.799 ( -4.162 19.268 -10.188) 22.189 6.323 ( 11.245 21.651 16.950) 29.707 7.037 ( 11.492 5.589 -17.135) 21.376 7.246 ( -9.961 8.885 8.552) 15.853 7.565 ( -2.581 0.501 -7.281) 7.741 19.652 ( 6.625 -8.221 9.345) 14.100 19.922 ( 5.577 -2.957 5.889) 8.633 20.198 ( -3.786 -7.951 -2.176) 9.071 20.561 ( -6.942 -6.088 -7.634) 11.980 21.138 ( 0.717 -15.580 -2.657) 15.821 21.247 ( 6.758 -6.906 -9.535) 13.575 21.853 ( -21.050 6.174 4.707) 22.436 22.170 ( -22.509 5.030 -10.714) 25.431 23.651 ( 1.546 1.026 2.939) 3.475 23.748 ( -2.295 0.731 -2.392) 3.394 25.089 ( 2.076 -31.127 7.967) 32.197 25.266 ( -3.744 -30.409 -0.097) 30.639 28.480 ( 12.379 -2.743 4.887) 13.588 28.789 ( 4.357 -1.762 -0.419) 4.718 28.849 ( 4.907 -9.419 -8.405) 13.544 28.948 ( 3.480 -5.363 -4.147) 7.620 31.298 ( 1.646 10.575 1.515) 10.809 31.431 ( -2.793 8.583 -5.803) 10.730 32.094 ( 2.257 9.098 0.241) 9.377 32.174 ( -0.577 9.272 -3.798) 10.036 33.300 ( 9.318 0.799 7.079) 11.729 33.491 ( 6.814 -1.646 -3.005) 7.627 34.343 ( -9.066 -18.684 5.667) 21.527 34.386 ( -9.261 -15.030 4.184) 18.143 ======================= Grid point 436 (140/200) ======================= q-point: ( 0.44 0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.835 ( 16.522 8.519 7.659) 20.105 4.004 ( 4.576 5.847 3.358) 8.149 4.395 ( 13.565 6.114 14.082) 20.487 4.556 ( -6.692 12.429 6.058) 15.362 4.813 ( -12.923 1.954 1.372) 13.142 4.956 ( -17.872 14.865 10.903) 25.676 5.322 ( 12.250 13.626 -17.427) 25.287 5.603 ( -14.006 17.910 -16.510) 28.099 6.639 ( 18.380 18.363 17.278) 31.202 6.974 ( -15.554 13.436 12.543) 24.079 7.285 ( 11.206 4.438 -14.161) 18.596 7.470 ( -7.449 2.278 -11.209) 13.650 19.787 ( 7.263 -7.405 10.865) 15.021 19.918 ( -5.424 -4.986 12.634) 14.625 20.243 ( 7.673 -5.505 -9.312) 13.262 20.410 ( -8.626 -4.719 -8.401) 12.933 21.211 ( 7.230 -9.967 -0.264) 12.316 21.370 ( -1.357 -3.007 -7.253) 7.968 21.549 ( -2.194 -2.646 -1.382) 3.704 21.775 ( -17.778 -0.229 -10.930) 20.870 23.680 ( 1.458 0.855 1.281) 2.121 23.710 ( -1.713 0.737 -0.398) 1.907 25.139 ( 2.921 -31.898 5.697) 32.535 25.199 ( -3.293 -31.749 2.981) 32.058 28.673 ( 7.674 -3.322 4.458) 9.476 28.778 ( -3.260 -3.448 3.990) 6.199 28.960 ( 4.009 -6.791 -9.808) 12.585 28.991 ( 0.622 -5.894 -6.937) 9.124 31.334 ( 2.071 10.485 -0.982) 10.732 31.378 ( -2.552 9.823 -3.457) 10.721 32.133 ( 1.726 8.509 -1.317) 8.781 32.159 ( -1.007 8.625 -2.627) 9.072 33.478 ( 8.264 0.436 6.084) 10.271 33.569 ( -0.026 -0.014 1.472) 1.473 34.205 ( -3.298 -16.804 4.423) 17.687 34.238 ( -5.720 -15.566 2.744) 16.809 ======================= Grid point 441 (141/200) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.402 ( 0.000 17.445 16.712) 24.159 3.655 ( 0.000 21.575 11.135) 24.278 4.531 ( 0.000 7.454 -20.550) 21.860 4.541 ( 0.000 10.337 -16.891) 19.804 5.476 ( 0.000 -0.882 17.740) 17.762 5.756 ( 0.000 33.677 7.485) 34.499 5.907 ( 0.000 9.929 -12.218) 15.744 6.274 ( 0.000 -0.669 -10.893) 10.914 6.716 ( 0.000 -3.150 17.425) 17.708 7.246 ( 0.000 -2.136 -9.590) 9.824 7.335 ( 0.000 21.768 12.511) 25.107 7.617 ( 0.000 14.373 -3.043) 14.691 19.331 ( 0.000 -1.307 1.037) 1.668 19.495 ( 0.000 -5.567 -4.503) 7.160 20.304 ( 0.000 -7.058 0.700) 7.093 20.507 ( 0.000 -9.888 -9.093) 13.433 20.918 ( 0.000 -15.994 -1.214) 16.039 20.965 ( 0.000 -9.659 -5.635) 11.183 23.034 ( 0.000 13.248 8.355) 15.662 23.266 ( 0.000 9.125 -3.936) 9.938 23.582 ( 0.000 1.191 6.428) 6.537 23.836 ( 0.000 -6.273 -5.565) 8.386 24.614 ( 0.000 -19.473 13.618) 23.762 25.137 ( 0.000 -17.036 -13.513) 21.744 27.752 ( 0.000 -0.700 9.797) 9.822 28.166 ( 0.000 -5.882 -10.001) 11.603 28.620 ( 0.000 -6.941 1.131) 7.032 28.673 ( 0.000 -4.260 -0.904) 4.355 31.374 ( 0.000 3.940 2.488) 4.660 31.576 ( 0.000 0.109 -9.094) 9.094 32.270 ( 0.000 12.248 3.920) 12.860 32.386 ( 0.000 6.653 -2.171) 6.998 33.067 ( 0.000 3.842 -0.104) 3.844 33.116 ( 0.000 -2.233 -3.008) 3.747 34.206 ( 0.000 -20.510 8.117) 22.058 34.363 ( 0.000 -21.465 1.460) 21.515 ======================= Grid point 442 (142/200) ======================= q-point: ( 0.11 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.466 ( 6.364 16.882 15.487) 23.777 3.662 ( 1.315 20.210 11.834) 23.457 4.387 ( -8.553 8.436 -13.570) 18.123 4.665 ( 7.860 8.871 -21.770) 24.788 5.438 ( -4.694 1.212 12.730) 13.622 5.805 ( -1.719 15.709 2.603) 16.016 5.901 ( 3.033 15.855 -3.081) 16.434 6.214 ( -4.049 9.176 -1.190) 10.100 6.736 ( 1.788 -0.191 5.676) 5.954 7.012 ( -14.256 3.452 -3.059) 14.983 7.485 ( 6.781 14.042 5.566) 16.557 7.648 ( 2.640 13.670 -1.585) 14.013 19.352 ( 2.227 -2.080 1.889) 3.585 19.549 ( 5.383 -4.640 -5.128) 8.764 20.269 ( -3.396 -6.626 1.642) 7.624 20.517 ( 0.475 -9.703 -9.266) 13.425 20.882 ( -3.108 -15.693 -0.954) 16.027 20.960 ( -0.266 -9.253 -6.016) 11.040 22.875 ( -15.283 12.415 8.854) 21.589 23.172 ( -10.819 11.316 -5.651) 16.644 23.583 ( 0.411 -1.461 5.322) 5.535 23.832 ( -0.965 -3.875 -6.629) 7.738 24.577 ( -3.275 -20.581 12.980) 24.552 25.000 ( -11.647 -21.058 -8.964) 25.679 27.896 ( 13.118 -0.683 7.771) 15.262 28.261 ( 9.258 -5.986 -9.256) 14.395 28.638 ( 1.740 -6.464 1.611) 6.885 28.705 ( 3.140 -4.106 -1.167) 5.299 31.388 ( 1.427 4.323 2.231) 5.070 31.579 ( 0.247 0.990 -8.768) 8.827 32.258 ( -0.995 10.696 3.648) 11.344 32.377 ( -0.926 6.741 -2.514) 7.254 33.086 ( 2.495 2.433 1.141) 3.667 33.175 ( 5.338 -1.176 -3.512) 6.497 34.178 ( -2.858 -20.133 7.837) 21.793 34.325 ( -3.778 -20.177 1.590) 20.589 ======================= Grid point 443 (143/200) ======================= q-point: ( 0.22 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.619 ( 8.611 16.899 9.954) 21.420 3.742 ( 7.829 14.378 13.594) 21.279 4.251 ( -4.014 7.654 -4.742) 9.858 4.864 ( 12.690 7.798 -23.225) 27.590 5.287 ( -10.708 5.264 7.212) 13.942 5.549 ( -19.024 -3.486 -1.029) 19.369 6.012 ( -7.772 14.590 8.186) 18.447 6.148 ( 4.013 18.577 -0.054) 19.006 6.695 ( -6.290 13.760 0.852) 15.154 6.919 ( 8.098 -0.999 -7.564) 11.126 7.556 ( 0.371 13.657 6.401) 15.087 7.693 ( 1.491 12.964 -0.295) 13.053 19.419 ( 4.623 -3.186 3.846) 6.805 19.691 ( 8.934 -3.186 -6.006) 11.227 20.180 ( -5.673 -5.613 3.005) 8.527 20.499 ( -2.819 -9.047 -8.969) 13.048 20.831 ( -1.297 -14.544 0.445) 14.609 20.983 ( 3.511 -8.135 -8.111) 12.012 22.488 ( -23.809 10.298 7.531) 27.012 22.825 ( -24.771 11.560 -7.853) 28.442 23.598 ( 1.083 -3.284 3.084) 4.634 23.788 ( -3.246 -2.266 -6.363) 7.494 24.521 ( -1.864 -23.157 11.354) 25.858 24.790 ( -8.847 -26.686 -2.496) 28.224 28.178 ( 14.680 -1.072 5.589) 15.744 28.483 ( 12.367 -6.290 -8.353) 16.195 28.681 ( 2.489 -5.194 2.945) 6.469 28.782 ( 4.536 -3.693 -1.817) 6.125 31.425 ( 2.253 5.337 1.474) 5.978 31.583 ( 0.006 3.317 -7.725) 8.407 32.241 ( -0.627 7.471 2.722) 7.976 32.352 ( -1.532 6.244 -2.997) 7.094 33.168 ( 5.842 1.286 3.179) 6.774 33.304 ( 7.674 -1.231 -3.757) 8.633 34.097 ( -5.515 -18.988 7.192) 21.040 34.224 ( -6.497 -17.059 1.700) 18.333 ======================= Grid point 444 (144/200) ======================= q-point: ( 0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.798 ( 10.197 13.926 6.313) 18.378 3.943 ( 11.824 8.948 8.996) 17.344 4.278 ( 6.856 5.217 8.120) 11.839 5.005 ( -10.461 10.727 1.311) 15.040 5.119 ( -9.615 -6.372 -7.639) 13.835 5.229 ( 3.209 10.492 -11.643) 15.998 5.654 ( -23.575 5.780 7.890) 25.523 6.140 ( -9.253 11.732 -13.769) 20.318 6.752 ( 12.367 20.067 10.958) 25.994 7.149 ( 13.229 6.279 -8.171) 16.769 7.500 ( -5.901 15.317 8.202) 18.350 7.689 ( -2.300 11.474 -1.406) 11.786 19.528 ( 6.627 -3.752 6.258) 9.857 19.862 ( 6.512 -2.782 -1.322) 7.203 20.071 ( -3.634 -4.418 -1.931) 6.037 20.413 ( -5.644 -8.065 -9.164) 13.449 20.864 ( 5.442 -10.951 2.709) 12.526 21.109 ( 9.513 -6.795 -10.565) 15.757 21.993 ( -26.668 7.066 4.949) 28.028 22.279 ( -29.535 5.910 -8.055) 31.179 23.622 ( 1.324 -3.655 1.263) 4.087 23.728 ( -2.743 -2.856 -3.985) 5.618 24.510 ( 0.576 -25.096 8.634) 26.546 24.661 ( -4.957 -28.268 0.984) 28.716 28.432 ( 11.212 -1.972 4.791) 12.351 28.677 ( 4.972 -7.272 -5.084) 10.171 28.743 ( 5.684 -2.773 1.802) 6.576 28.864 ( 3.475 -3.404 -2.658) 5.544 31.471 ( 2.401 6.608 0.226) 7.034 31.576 ( -0.785 5.967 -5.921) 8.443 32.239 ( 0.514 4.579 1.103) 4.738 32.320 ( -1.694 4.970 -2.955) 6.025 33.304 ( 8.052 -0.213 4.745) 9.349 33.456 ( 7.573 -1.613 -2.884) 8.263 33.972 ( -6.925 -17.024 6.411) 19.464 34.085 ( -7.595 -14.072 1.262) 16.040 ======================= Grid point 445 (145/200) ======================= q-point: ( 0.44 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.006 ( 10.909 8.050 8.645) 16.079 4.131 ( 2.741 6.138 9.830) 11.909 4.456 ( 11.513 2.661 4.606) 12.683 4.770 ( -18.993 2.164 -2.507) 19.280 4.888 ( 5.341 10.377 7.718) 13.992 5.190 ( -21.951 7.451 11.529) 25.889 5.535 ( 17.877 6.889 -22.339) 29.429 5.875 ( -16.557 7.746 -20.226) 27.262 7.040 ( 15.296 20.182 11.718) 27.903 7.291 ( -7.989 16.531 6.373) 19.435 7.431 ( 7.775 10.215 -2.484) 13.076 7.598 ( -7.114 10.124 -3.577) 12.880 19.670 ( 7.994 -3.764 8.569) 12.308 19.825 ( -7.398 -3.628 9.850) 12.842 20.144 ( 8.029 -4.440 -13.182) 16.060 20.291 ( -6.945 -6.590 -11.119) 14.673 21.065 ( 15.681 -4.236 3.315) 16.578 21.330 ( 8.470 -2.292 -11.603) 14.547 21.512 ( -17.100 -0.011 4.870) 17.780 21.758 ( -23.408 -1.373 -8.088) 24.804 23.650 ( 1.563 -3.612 -0.270) 3.945 23.683 ( -1.952 -3.376 -1.915) 4.344 24.536 ( 1.962 -26.585 5.899) 27.302 24.585 ( -3.134 -27.806 3.424) 28.191 28.604 ( 6.616 -3.137 3.996) 8.342 28.688 ( -2.119 -4.615 2.330) 5.587 28.861 ( 4.499 -3.711 -3.573) 6.839 28.902 ( 0.155 -3.498 -3.415) 4.891 31.515 ( 2.160 7.571 -1.519) 8.018 31.552 ( -1.628 7.527 -3.675) 8.533 32.258 ( 1.357 3.285 -0.746) 3.631 32.288 ( -1.652 3.669 -2.194) 4.583 33.464 ( 7.847 -1.723 4.949) 9.436 33.553 ( 0.572 -1.490 0.987) 1.877 33.873 ( -1.302 -14.939 3.585) 15.418 33.942 ( -6.716 -12.971 0.757) 14.626 ======================= Grid point 450 (146/200) ======================= q-point: ( 0.00 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.756 ( 0.000 16.980 8.352) 18.923 4.069 ( 0.000 18.382 2.549) 18.557 4.621 ( 0.000 2.135 -13.447) 13.615 4.730 ( 0.000 7.650 -11.245) 13.600 5.480 ( 0.000 1.426 11.598) 11.685 5.882 ( 0.000 -7.428 -10.779) 13.090 6.355 ( 0.000 24.327 1.612) 24.381 6.452 ( 0.000 11.528 -0.698) 11.549 6.572 ( 0.000 -7.767 14.591) 16.530 7.059 ( 0.000 -10.260 -10.983) 15.029 7.806 ( 0.000 21.703 11.438) 24.533 8.000 ( 0.000 17.743 1.147) 17.780 19.365 ( 0.000 3.996 -5.609) 6.887 19.430 ( 0.000 -0.885 -6.350) 6.412 20.175 ( 0.000 -5.175 0.769) 5.232 20.315 ( 0.000 -8.584 -6.232) 10.608 20.627 ( 0.000 -12.464 -0.270) 12.467 20.767 ( 0.000 -10.008 -10.213) 14.300 23.281 ( 0.000 10.810 10.180) 14.849 23.402 ( 0.000 3.151 -0.984) 3.302 23.566 ( 0.000 -2.788 2.071) 3.473 23.713 ( 0.000 -3.867 -0.944) 3.981 24.336 ( 0.000 -7.395 13.868) 15.716 24.823 ( 0.000 -14.062 -10.670) 17.652 27.726 ( 0.000 -1.430 6.412) 6.570 28.025 ( 0.000 -7.780 -8.312) 11.385 28.517 ( 0.000 -3.146 2.713) 4.154 28.595 ( 0.000 -3.342 -1.141) 3.532 31.422 ( 0.000 1.321 -0.090) 1.324 31.557 ( 0.000 -1.757 -7.835) 8.030 32.477 ( 0.000 2.832 0.760) 2.932 32.479 ( 0.000 7.763 1.138) 7.846 33.104 ( 0.000 1.316 -0.498) 1.407 33.153 ( 0.000 4.363 -2.319) 4.941 33.822 ( 0.000 -16.659 6.912) 18.036 33.960 ( 0.000 -17.964 0.639) 17.975 ======================= Grid point 451 (147/200) ======================= q-point: ( 0.11 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.804 ( 4.851 16.115 8.475) 18.843 4.058 ( -0.900 18.021 4.194) 18.524 4.519 ( -8.287 4.132 -7.960) 12.211 4.780 ( 4.560 2.980 -16.897) 17.754 5.477 ( -1.168 2.961 8.760) 9.320 5.772 ( -10.726 -4.922 -6.000) 13.239 6.379 ( -4.866 9.590 6.274) 12.450 6.423 ( 1.629 12.914 0.887) 13.047 6.679 ( 11.053 0.334 4.025) 11.768 6.961 ( -7.360 -3.479 -9.311) 12.368 7.845 ( 2.943 19.128 10.002) 21.785 8.008 ( 0.572 16.950 1.648) 17.039 19.360 ( 0.698 2.394 -3.002) 3.902 19.507 ( 6.668 0.370 -8.614) 10.899 20.150 ( -2.458 -4.733 1.444) 5.525 20.326 ( 0.575 -8.689 -6.844) 11.076 20.596 ( -2.271 -11.992 0.815) 12.232 20.777 ( 1.063 -9.115 -10.431) 13.893 23.111 ( -16.071 10.731 11.871) 22.680 23.384 ( -6.776 8.369 -4.567) 11.697 23.509 ( -1.752 -4.797 4.572) 6.855 23.742 ( 0.918 -4.239 -4.240) 6.065 24.260 ( -7.183 -10.604 11.766) 17.392 24.608 ( -18.466 -17.212 -6.801) 26.144 27.874 ( 13.348 -1.263 5.179) 14.373 28.124 ( 9.564 -7.242 -6.996) 13.888 28.542 ( 2.446 -2.937 3.026) 4.875 28.629 ( 3.327 -3.346 -1.275) 4.887 31.445 ( 2.234 1.704 -0.071) 2.811 31.576 ( 1.957 -1.038 -7.707) 8.019 32.417 ( -3.994 4.412 2.460) 6.439 32.487 ( -1.056 4.606 -1.154) 4.864 33.127 ( 2.556 2.254 0.562) 3.454 33.198 ( 4.263 2.929 -2.670) 5.821 33.804 ( -1.832 -16.068 6.982) 17.615 33.946 ( -1.486 -16.964 0.406) 17.034 ======================= Grid point 452 (148/200) ======================= q-point: ( 0.22 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.927 ( 7.265 13.569 8.396) 17.532 4.056 ( 1.478 15.735 6.060) 16.926 4.372 ( -5.268 4.037 -1.619) 6.832 4.909 ( 8.203 -2.730 -20.838) 22.560 5.403 ( -7.430 6.502 3.649) 10.526 5.514 ( -13.617 0.312 0.585) 13.633 6.124 ( -18.935 -0.748 5.299) 19.677 6.431 ( -6.283 1.988 -8.228) 10.542 6.880 ( 9.291 9.465 2.445) 13.486 7.007 ( 14.742 10.304 -2.511) 18.161 7.879 ( -0.058 16.660 8.670) 18.781 8.009 ( -0.895 15.160 2.175) 15.342 19.403 ( 3.765 1.569 0.386) 4.097 19.662 ( 8.903 -0.052 -10.319) 13.629 20.086 ( -4.010 -3.386 1.920) 5.589 20.314 ( -2.183 -8.785 -7.782) 11.938 20.583 ( 1.823 -9.572 3.157) 10.243 20.824 ( 4.534 -7.724 -10.595) 13.873 22.687 ( -26.800 9.600 11.668) 30.766 23.063 ( -26.880 10.905 -7.256) 29.901 23.515 ( 1.013 -3.436 2.616) 4.435 23.706 ( -4.308 -5.611 -5.870) 9.192 24.114 ( -5.693 -18.391 9.157) 21.318 24.301 ( -10.922 -19.742 -0.986) 22.584 28.157 ( 14.503 -0.920 4.059) 15.088 28.351 ( 12.621 -6.231 -5.054) 14.955 28.603 ( 3.710 -2.491 3.842) 5.893 28.711 ( 4.733 -3.398 -1.546) 6.028 31.504 ( 3.717 2.845 -0.067) 4.682 31.627 ( 3.028 1.101 -7.236) 7.921 32.336 ( -4.088 2.190 2.895) 5.467 32.443 ( -3.245 2.580 -2.714) 4.955 33.201 ( 4.863 2.366 2.184) 5.833 33.302 ( 6.301 0.979 -2.826) 6.975 33.753 ( -3.360 -14.231 6.973) 16.200 33.901 ( -3.165 -14.473 -0.101) 14.815 ======================= Grid point 453 (149/200) ======================= q-point: ( 0.33 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.055 ( 5.435 10.990 5.420) 13.405 4.132 ( 6.553 9.131 10.957) 15.696 4.367 ( 4.886 4.185 2.602) 6.940 4.970 ( -7.765 -7.868 -7.630) 13.432 5.230 ( -6.019 10.995 -2.642) 12.810 5.375 ( 1.813 4.311 -8.550) 9.746 5.704 ( -22.830 -0.002 5.804) 23.557 6.215 ( -14.166 -3.631 -17.316) 22.665 7.137 ( 15.531 17.357 7.196) 24.377 7.322 ( 16.235 10.096 -1.792) 19.202 7.831 ( -5.057 15.994 8.383) 18.753 7.960 ( -4.360 13.286 1.812) 14.100 19.502 ( 6.328 1.176 3.645) 7.396 19.814 ( 4.905 -1.907 -5.119) 7.341 20.013 ( -2.176 -1.661 -3.386) 4.354 20.248 ( -4.310 -7.826 -8.516) 12.343 20.698 ( 10.997 -5.291 4.569) 13.031 20.971 ( 10.907 -6.726 -10.086) 16.308 22.126 ( -30.123 6.079 6.990) 31.516 22.408 ( -37.608 6.180 -6.807) 38.715 23.535 ( 1.006 -3.831 1.671) 4.298 23.628 ( -3.119 -6.605 -2.105) 7.602 24.063 ( -0.593 -19.896 4.763) 20.466 24.160 ( -4.785 -19.486 0.442) 20.070 28.403 ( 10.565 -0.821 3.947) 11.308 28.558 ( 7.354 -4.468 -2.971) 9.104 28.683 ( 4.954 -2.791 3.606) 6.733 28.794 ( 3.440 -3.569 -1.657) 5.227 31.581 ( 4.121 4.622 -0.332) 6.201 31.680 ( 2.129 4.313 -5.996) 7.687 32.272 ( -2.301 -1.008 2.023) 3.225 32.372 ( -3.961 -0.081 -3.182) 5.081 33.307 ( 6.013 0.971 3.599) 7.075 33.430 ( 6.582 -0.890 -2.430) 7.073 33.677 ( -4.272 -11.468 6.472) 13.843 33.824 ( -4.755 -11.457 -0.629) 12.420 ======================= Grid point 454 (150/200) ======================= q-point: ( 0.44 0.36 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.164 ( 6.432 7.603 9.171) 13.538 4.243 ( 1.263 4.978 14.747) 15.616 4.519 ( 10.400 2.787 -2.000) 10.951 4.742 ( -11.895 -3.106 -0.251) 12.296 5.132 ( -1.005 11.954 0.154) 11.997 5.286 ( -15.965 3.216 7.722) 18.024 5.603 ( 15.047 0.122 -20.641) 25.543 5.916 ( -16.410 -2.901 -20.908) 26.736 7.430 ( 14.098 17.425 7.957) 23.785 7.593 ( 8.259 12.585 0.047) 15.053 7.698 ( -5.325 14.720 7.553) 17.380 7.835 ( -8.633 11.742 0.917) 14.603 19.641 ( 7.760 0.859 5.960) 9.823 19.784 ( -6.277 -0.323 6.053) 8.726 20.057 ( 5.069 -4.226 -12.050) 13.739 20.157 ( -5.002 -6.393 -9.993) 12.875 21.027 ( 22.910 -0.018 2.863) 23.088 21.253 ( 18.352 -4.752 -8.865) 20.928 21.554 ( -28.726 3.179 3.342) 29.094 21.729 ( -30.432 -1.215 -5.404) 30.932 23.556 ( 1.203 -4.745 1.014) 4.999 23.583 ( -1.728 -5.729 -0.058) 5.985 24.067 ( 0.806 -19.818 2.169) 19.952 24.095 ( -2.229 -19.762 1.067) 19.916 28.559 ( 5.585 -1.133 3.500) 6.688 28.617 ( -0.402 -2.020 1.730) 2.690 28.785 ( 4.393 -3.957 -0.044) 5.913 28.829 ( -0.097 -3.843 -1.321) 4.064 31.655 ( 3.236 6.449 -1.393) 7.349 31.695 ( -0.740 6.754 -3.627) 7.702 32.257 ( 0.863 -3.280 -0.236) 3.399 32.299 ( -3.269 -2.573 -2.382) 4.794 33.426 ( 6.019 -1.436 4.561) 7.687 33.513 ( -0.854 -2.261 2.133) 3.223 33.627 ( 1.884 -8.826 1.760) 9.195 33.721 ( -5.737 -8.796 -0.978) 10.547 ======================= Grid point 459 (151/200) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 280 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.077 ( 0.000 14.123 0.672) 14.138 4.346 ( 0.000 6.476 -9.011) 11.097 4.665 ( 0.000 4.131 -0.019) 4.131 4.830 ( 0.000 1.729 -5.853) 6.103 5.530 ( 0.000 3.209 5.839) 6.662 5.726 ( 0.000 -7.064 -5.190) 8.765 6.432 ( 0.000 -3.609 8.532) 9.264 6.545 ( 0.000 -3.355 2.350) 4.096 6.759 ( 0.000 13.851 -0.366) 13.856 6.946 ( 0.000 -0.228 -8.601) 8.604 8.170 ( 0.000 13.389 9.239) 16.268 8.273 ( 0.000 8.522 3.736) 9.305 19.451 ( 0.000 2.437 -7.686) 8.063 19.460 ( 0.000 4.224 -10.157) 11.001 20.103 ( 0.000 -1.824 -0.427) 1.873 20.171 ( 0.000 -5.283 -4.099) 6.687 20.429 ( 0.000 -6.283 -0.680) 6.320 20.560 ( 0.000 -9.852 -10.031) 14.060 23.400 ( 0.000 -1.414 0.915) 1.684 23.441 ( 0.000 0.970 1.556) 1.833 23.518 ( 0.000 2.974 10.713) 11.118 23.687 ( 0.000 -0.538 3.333) 3.376 24.294 ( 0.000 2.114 7.615) 7.903 24.566 ( 0.000 -10.916 -5.069) 12.036 27.711 ( 0.000 0.305 2.475) 2.494 27.868 ( 0.000 -7.175 -5.411) 8.986 28.485 ( 0.000 -0.252 2.172) 2.187 28.537 ( 0.000 -2.420 -0.446) 2.461 31.444 ( 0.000 1.043 -2.139) 2.380 31.514 ( 0.000 -2.248 -6.178) 6.574 32.522 ( 0.000 1.909 0.828) 2.081 32.572 ( 0.000 1.459 -1.587) 2.156 33.178 ( 0.000 5.927 1.661) 6.155 33.240 ( 0.000 4.203 -1.416) 4.435 33.544 ( 0.000 -10.379 4.751) 11.415 33.635 ( 0.000 -13.838 0.621) 13.852 ======================= Grid point 460 (152/200) ======================= q-point: ( 0.11 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.110 ( 3.172 13.521 1.695) 13.991 4.353 ( 0.331 8.580 -6.169) 10.573 4.569 ( -8.512 2.766 0.825) 8.988 4.791 ( -2.467 -2.026 -8.712) 9.278 5.553 ( 1.333 4.147 4.022) 5.928 5.689 ( -4.547 -3.081 -3.454) 6.488 6.344 ( -9.342 -3.545 5.470) 11.391 6.479 ( -6.901 -7.015 0.160) 9.841 6.866 ( 10.360 11.923 0.569) 15.806 6.991 ( 5.975 4.106 -5.980) 9.398 8.179 ( 0.589 12.590 8.831) 15.389 8.272 ( -0.326 8.345 3.923) 9.227 19.434 ( 0.567 4.515 -5.912) 7.460 19.537 ( 5.549 1.384 -10.886) 12.297 20.085 ( -1.656 -1.572 0.202) 2.292 20.176 ( -0.081 -5.890 -4.430) 7.370 20.417 ( -0.163 -4.756 0.006) 4.759 20.586 ( 2.480 -9.362 -10.662) 14.404 23.308 ( -11.577 7.692 9.128) 16.628 23.426 ( -6.493 -1.783 2.782) 7.286 23.471 ( 1.226 0.569 3.431) 3.687 23.694 ( 0.185 -1.520 1.750) 2.325 24.123 ( -17.742 -2.954 4.701) 18.590 24.316 ( -20.963 -11.074 -4.760) 24.182 27.858 ( 13.424 0.033 2.340) 13.627 27.983 ( 11.029 -6.155 -3.954) 13.235 28.512 ( 2.661 -0.179 2.298) 3.521 28.569 ( 3.146 -2.562 -0.545) 4.093 31.473 ( 2.984 1.344 -1.951) 3.811 31.545 ( 3.110 -1.905 -6.055) 7.068 32.472 ( -4.611 2.007 1.375) 5.214 32.541 ( -3.288 0.287 -2.175) 3.953 33.209 ( 2.912 5.896 1.711) 6.795 33.267 ( 2.674 3.658 -1.317) 4.719 33.539 ( -0.457 -9.745 4.894) 10.914 33.638 ( 0.221 -13.175 0.301) 13.180 ======================= Grid point 461 (153/200) ======================= q-point: ( 0.22 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.177 ( 3.076 10.703 5.899) 12.602 4.355 ( -1.378 13.305 0.517) 13.386 4.410 ( -4.250 -0.391 -0.176) 4.271 4.791 ( 2.255 -8.049 -13.430) 15.818 5.538 ( -6.008 5.629 0.158) 8.235 5.549 ( -6.247 2.836 1.307) 6.984 6.072 ( -18.063 -2.250 1.624) 18.275 6.298 ( -11.223 -10.352 -8.198) 17.330 7.122 ( 15.222 10.629 2.428) 18.724 7.197 ( 14.506 6.818 -1.336) 16.084 8.174 ( -1.508 11.271 8.030) 13.921 8.251 ( -2.193 7.860 4.078) 9.123 19.475 ( 3.596 5.108 -2.438) 6.705 19.658 ( 6.592 -1.291 -10.584) 12.536 20.044 ( -2.510 -0.772 0.342) 2.648 20.156 ( -1.931 -6.417 -4.491) 8.067 20.461 ( 5.442 -1.742 0.347) 5.724 20.663 ( 5.981 -8.093 -10.913) 14.845 22.896 ( -29.495 11.127 13.680) 34.364 23.202 ( -24.607 1.521 -1.993) 24.734 23.495 ( 0.996 -0.709 0.302) 1.259 23.625 ( -13.211 1.227 -3.875) 13.822 23.733 ( -5.603 -16.769 8.902) 19.795 24.008 ( -10.749 -10.975 -4.696) 16.064 28.147 ( 14.966 0.105 2.515) 15.176 28.240 ( 14.150 -4.566 -1.786) 14.975 28.577 ( 3.731 -0.112 2.653) 4.580 28.645 ( 4.371 -2.961 -0.709) 5.327 31.554 ( 5.260 2.297 -1.456) 5.921 31.629 ( 5.476 -0.793 -5.718) 7.956 32.362 ( -6.504 1.102 1.881) 6.860 32.450 ( -5.899 -1.719 -2.786) 6.747 33.278 ( 3.990 5.325 1.901) 6.920 33.336 ( 4.193 2.165 -1.118) 4.850 33.528 ( -0.747 -7.940 4.997) 9.411 33.638 ( -0.396 -11.353 -0.271) 11.363 ======================= Grid point 462 (154/200) ======================= q-point: ( 0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.238 ( 4.109 6.694 7.941) 11.170 4.285 ( -1.414 5.141 9.108) 10.554 4.468 ( 5.296 6.236 -2.756) 8.633 4.803 ( -3.514 -8.473 -7.391) 11.780 5.409 ( -1.804 4.741 -5.267) 7.313 5.452 ( -6.146 4.349 1.102) 7.610 5.703 ( -18.169 1.940 -2.831) 18.490 6.059 ( -13.303 -10.279 -15.318) 22.744 7.429 ( 16.034 10.678 4.378) 19.755 7.503 ( 16.229 6.493 0.762) 17.496 8.108 ( -5.508 10.459 7.274) 13.880 8.177 ( -5.619 7.211 3.760) 9.885 19.569 ( 6.098 5.125 0.864) 8.013 19.775 ( 5.026 -2.547 -6.517) 8.615 19.990 ( -2.975 -0.548 -1.478) 3.367 20.106 ( -3.227 -5.938 -5.173) 8.511 20.651 ( 14.828 0.679 -0.168) 14.845 20.836 ( 12.455 -6.456 -9.455) 16.918 22.256 ( -34.703 7.003 8.241) 36.349 22.484 ( -42.414 0.063 -3.388) 42.549 23.499 ( -1.836 -3.120 2.497) 4.398 23.506 ( 0.066 -0.089 0.354) 0.371 23.713 ( 0.169 -12.926 2.383) 13.145 23.855 ( -5.755 -11.969 -3.574) 13.753 28.401 ( 10.923 0.702 2.994) 11.348 28.486 ( 10.451 -2.960 -0.827) 10.894 28.644 ( 2.978 -0.727 3.100) 4.359 28.720 ( 2.966 -3.533 -0.657) 4.659 31.668 ( 6.369 4.018 -0.916) 7.586 31.745 ( 6.036 1.671 -5.127) 8.094 32.234 ( -6.292 -1.517 1.752) 6.705 32.324 ( -6.898 -4.018 -2.981) 8.521 33.355 ( 3.836 3.730 2.400) 5.864 33.421 ( 4.446 0.065 -0.962) 4.550 33.509 ( -1.196 -5.322 4.686) 7.191 33.619 ( -1.634 -8.762 -0.634) 8.935 ======================= Grid point 463 (155/200) ======================= q-point: ( 0.44 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 504 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.311 ( 4.284 6.347 8.999) 11.816 4.344 ( 3.581 5.033 12.069) 13.558 4.543 ( 2.814 -0.431 1.466) 3.202 4.660 ( -8.778 -4.865 1.232) 10.112 5.342 ( -3.233 6.158 -0.268) 6.960 5.382 ( -6.602 9.027 -6.805) 13.091 5.561 ( 8.364 -3.655 -15.153) 17.690 5.795 ( -13.706 -8.236 -17.909) 24.009 7.721 ( 13.813 10.623 5.579) 18.297 7.795 ( 13.310 6.734 1.856) 15.031 7.960 ( -9.561 9.955 6.634) 15.314 8.029 ( -9.695 6.546 3.073) 12.094 19.700 ( 7.040 4.728 2.684) 8.895 19.810 ( -2.849 2.602 1.529) 4.150 19.964 ( 1.864 -4.892 -6.439) 8.299 20.033 ( -4.123 -5.759 -6.089) 9.340 21.047 ( 26.062 1.675 -0.930) 26.132 21.160 ( 21.574 -4.084 -6.234) 22.825 21.614 ( -31.275 2.701 1.683) 31.436 21.708 ( -35.943 -1.219 -3.338) 36.118 23.489 ( 0.307 -1.668 2.478) 3.003 23.500 ( -0.601 -0.631 1.536) 1.766 23.728 ( 1.441 -13.227 -0.083) 13.305 23.771 ( -3.172 -12.678 -1.918) 13.209 28.560 ( 5.528 1.249 2.884) 6.359 28.607 ( 1.334 0.756 1.139) 1.910 28.702 ( 3.446 -3.904 1.648) 5.462 28.746 ( -0.508 -4.135 -0.126) 4.168 31.786 ( 5.259 6.566 -1.057) 8.478 31.831 ( 1.634 6.437 -3.411) 7.466 32.148 ( -1.470 -6.512 0.130) 6.677 32.197 ( -5.612 -6.736 -2.434) 9.099 33.423 ( 3.122 1.265 3.116) 4.588 33.472 ( -1.605 -1.392 3.337) 3.956 33.509 ( 3.440 -3.387 -0.195) 4.832 33.575 ( -2.942 -5.881 -0.730) 6.616 ======================= Grid point 468 (156/200) ======================= q-point: ( 0.00 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 160 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.309 ( 0.000 -8.030 -7.206) 10.789 4.309 ( 0.000 8.030 -7.206) 10.789 4.790 ( 0.000 -5.494 0.172) 5.497 4.790 ( 0.000 5.494 0.172) 5.497 5.607 ( 0.000 -4.583 0.784) 4.649 5.607 ( 0.000 4.583 0.784) 4.649 6.439 ( 0.000 -4.128 3.604) 5.480 6.439 ( 0.000 4.128 3.604) 5.480 6.933 ( 0.000 -3.554 -3.564) 5.033 6.933 ( 0.000 3.554 -3.564) 5.033 8.335 ( 0.000 -2.613 6.469) 6.977 8.335 ( 0.000 2.613 6.469) 6.977 19.496 ( 0.000 -0.931 -9.851) 9.895 19.496 ( 0.000 0.931 -9.851) 9.895 20.102 ( 0.000 -1.673 -2.461) 2.976 20.102 ( 0.000 1.673 -2.461) 2.976 20.404 ( 0.000 -4.113 -4.954) 6.439 20.404 ( 0.000 4.113 -4.954) 6.439 23.398 ( 0.000 -1.571 0.198) 1.584 23.398 ( 0.000 1.571 0.198) 1.584 23.634 ( 0.000 -4.907 9.429) 10.629 23.634 ( 0.000 4.907 9.429) 10.629 24.387 ( 0.000 -6.687 0.781) 6.732 24.387 ( 0.000 6.687 0.781) 6.732 27.752 ( 0.000 -3.910 -1.604) 4.227 27.752 ( 0.000 3.910 -1.604) 4.227 28.498 ( 0.000 -1.353 0.807) 1.576 28.498 ( 0.000 1.353 0.807) 1.576 31.472 ( 0.000 -1.779 -4.156) 4.521 31.472 ( 0.000 1.779 -4.156) 4.521 32.561 ( 0.000 -1.769 -0.959) 2.012 32.561 ( 0.000 1.769 -0.959) 2.012 33.299 ( 0.000 -1.660 1.374) 2.155 33.299 ( 0.000 1.660 1.374) 2.155 33.430 ( 0.000 -2.699 1.606) 3.141 33.430 ( 0.000 2.699 1.606) 3.141 ======================= Grid point 470 (157/200) ======================= q-point: ( 0.11 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.334 ( 2.093 -7.785 -5.476) 9.745 4.334 ( 2.093 7.785 -5.476) 9.745 4.696 ( -7.637 -7.066 -0.454) 10.415 4.696 ( -7.637 7.066 -0.454) 10.415 5.630 ( 0.889 -3.241 -0.015) 3.361 5.630 ( 0.889 3.241 -0.015) 3.361 6.344 ( -9.357 -4.133 1.940) 10.412 6.344 ( -9.357 4.133 1.940) 10.412 7.018 ( 8.687 -2.670 -2.255) 9.364 7.018 ( 8.687 2.670 -2.255) 9.364 8.334 ( -0.287 -2.377 6.409) 6.842 8.334 ( -0.287 2.377 6.409) 6.842 19.521 ( 2.517 -3.171 -8.973) 9.844 19.521 ( 2.517 3.171 -8.973) 9.844 20.091 ( -1.103 -2.309 -1.752) 3.101 20.091 ( -1.103 2.309 -1.752) 3.101 20.426 ( 2.421 -5.227 -5.841) 8.204 20.426 ( 2.421 5.227 -5.841) 8.204 23.384 ( -2.500 -2.216 0.632) 3.400 23.384 ( -2.500 2.216 0.632) 3.400 23.587 ( -5.279 -8.446 11.580) 15.274 23.587 ( -5.279 8.446 11.580) 15.274 24.153 ( -21.078 -5.257 -3.024) 21.933 24.153 ( -21.078 5.257 -3.024) 21.933 27.888 ( 12.627 -3.088 -0.696) 13.018 27.888 ( 12.627 3.088 -0.696) 13.018 28.527 ( 2.846 -1.484 0.786) 3.305 28.527 ( 2.846 1.484 0.786) 3.305 31.505 ( 3.401 -1.833 -3.954) 5.528 31.505 ( 3.401 1.833 -3.954) 5.528 32.515 ( -4.509 -2.130 -0.844) 5.058 32.515 ( -4.509 2.130 -0.844) 5.058 33.325 ( 2.417 -1.058 1.304) 2.943 33.325 ( 2.417 1.058 1.304) 2.943 33.436 ( 0.609 -3.370 1.515) 3.745 33.436 ( 0.609 3.370 1.515) 3.745 ======================= Grid point 472 (158/200) ======================= q-point: ( 0.22 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.348 ( -1.606 -5.811 2.964) 6.718 4.348 ( -1.606 5.811 2.964) 6.718 4.599 ( -0.559 -10.697 -6.280) 12.417 4.599 ( -0.559 10.697 -6.280) 12.417 5.594 ( -4.960 -0.803 0.770) 5.083 5.594 ( -4.960 0.803 0.770) 5.083 6.109 ( -13.976 -6.523 -4.058) 15.949 6.109 ( -13.976 6.523 -4.058) 15.949 7.252 ( 14.760 -1.767 0.399) 14.871 7.252 ( 14.760 1.767 0.399) 14.871 8.312 ( -2.298 -1.965 6.127) 6.832 8.312 ( -2.298 1.965 6.127) 6.832 19.589 ( 4.399 -5.272 -6.396) 9.384 19.589 ( 4.399 5.272 -6.396) 9.384 20.061 ( -1.950 -2.720 -1.269) 3.579 20.061 ( -1.950 2.720 -1.269) 3.579 20.512 ( 6.990 -5.925 -6.892) 11.466 20.512 ( 6.990 5.925 -6.892) 11.466 23.122 ( -29.568 -9.356 8.022) 32.034 23.122 ( -29.568 9.356 8.022) 32.034 23.488 ( -1.772 -3.930 5.714) 7.158 23.488 ( -1.772 3.930 5.714) 7.158 23.795 ( -11.726 -10.284 -7.083) 17.129 23.795 ( -11.726 10.284 -7.083) 17.129 28.170 ( 15.097 -2.259 0.736) 15.283 28.170 ( 15.097 2.259 0.736) 15.283 28.595 ( 3.867 -1.800 0.793) 4.339 28.595 ( 3.867 1.800 0.793) 4.339 31.599 ( 6.177 -2.014 -3.405) 7.335 31.599 ( 6.177 2.014 -3.405) 7.335 32.399 ( -7.239 -2.571 -0.729) 7.717 32.399 ( -7.239 2.571 -0.729) 7.717 33.380 ( 2.967 -0.430 1.318) 3.275 33.380 ( 2.967 0.430 1.318) 3.275 33.452 ( 0.997 -4.621 1.241) 4.888 33.452 ( 0.997 4.621 1.241) 4.888 ======================= Grid point 474 (159/200) ======================= q-point: ( 0.33 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.321 ( 0.683 -1.411 8.018) 8.170 4.321 ( 0.683 1.411 8.018) 8.170 4.626 ( 0.666 -8.729 -5.141) 10.153 4.626 ( 0.666 8.729 -5.141) 10.153 5.471 ( -5.773 -2.073 0.331) 6.143 5.471 ( -5.773 2.073 0.331) 6.143 5.840 ( -13.326 -10.239 -11.439) 20.329 5.840 ( -13.326 10.239 -11.439) 20.329 7.556 ( 16.033 -1.704 2.431) 16.305 7.556 ( 16.033 1.704 2.431) 16.305 8.235 ( -5.885 -1.732 5.552) 8.274 8.235 ( -5.885 1.732 5.552) 8.274 19.688 ( 5.884 -5.769 -3.290) 8.873 19.688 ( 5.884 5.769 -3.290) 8.873 20.012 ( -3.308 -3.017 -1.670) 4.779 20.012 ( -3.308 3.017 -1.670) 4.779 20.715 ( 14.577 -5.076 -6.505) 16.750 20.715 ( 14.577 5.076 -6.505) 16.750 22.405 ( -40.142 -6.810 4.227) 40.934 22.405 ( -40.142 6.810 4.227) 40.934 23.490 ( 1.140 -3.209 2.255) 4.084 23.490 ( 1.140 3.209 2.255) 4.084 23.652 ( -4.945 -7.181 -2.860) 9.177 23.652 ( -4.945 7.181 -2.860) 9.177 28.432 ( 11.488 -2.240 1.528) 11.804 28.432 ( 11.488 2.240 1.528) 11.804 28.660 ( 2.378 -2.139 0.956) 3.339 28.660 ( 2.378 2.139 0.956) 3.339 31.737 ( 7.991 -2.299 -2.659) 8.729 31.737 ( 7.991 2.299 -2.659) 8.729 32.245 ( -8.538 -2.754 -0.856) 9.011 32.245 ( -8.538 2.754 -0.856) 9.011 33.431 ( 2.260 -1.019 1.451) 2.873 33.431 ( 2.260 1.019 1.451) 2.873 33.470 ( 0.800 -4.880 0.968) 5.039 33.470 ( 0.800 4.880 0.968) 5.039 ======================= Grid point 476 (160/200) ======================= q-point: ( 0.44 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.400 ( 7.214 -1.548 8.461) 11.226 4.400 ( 7.214 1.548 8.461) 11.226 4.559 ( -7.467 -3.865 4.148) 9.376 4.559 ( -7.467 3.865 4.148) 9.376 5.450 ( 4.239 -4.972 -8.176) 10.466 5.450 ( 4.239 4.972 -8.176) 10.466 5.605 ( -10.773 -9.783 -13.254) 19.683 5.605 ( -10.773 9.783 -13.254) 19.683 7.848 ( 13.876 -1.742 3.760) 14.482 7.848 ( 13.876 1.742 3.760) 14.482 8.081 ( -10.083 -1.705 4.752) 11.276 8.081 ( -10.083 1.705 4.752) 11.276 19.811 ( 6.550 -4.912 -1.694) 8.361 19.811 ( 6.550 4.912 -1.694) 8.361 19.929 ( -5.390 -3.714 -1.671) 6.756 19.929 ( -5.390 3.714 -1.671) 6.756 21.091 ( 24.683 -2.714 -4.286) 25.199 21.091 ( 24.683 2.714 -4.286) 25.199 21.668 ( -34.841 -2.535 -0.457) 34.937 21.668 ( -34.841 2.535 -0.457) 34.937 23.523 ( 2.190 -4.256 0.967) 4.883 23.523 ( 2.190 4.256 0.967) 4.883 23.575 ( -3.271 -5.273 -0.479) 6.224 23.575 ( -3.271 5.273 -0.479) 6.224 28.603 ( 6.212 -2.364 1.611) 6.839 28.603 ( 6.212 2.364 1.611) 6.839 28.673 ( -1.247 -2.348 1.298) 2.958 28.673 ( -1.247 2.348 1.298) 2.958 31.901 ( 8.867 -2.574 -1.895) 9.426 31.901 ( 8.867 2.574 -1.895) 9.426 32.075 ( -9.014 -2.740 -1.262) 9.505 32.075 ( -9.014 2.740 -1.262) 9.505 33.465 ( 1.228 -1.286 1.341) 2.227 33.465 ( 1.228 1.286 1.341) 2.227 33.478 ( -0.098 -3.315 1.041) 3.476 33.478 ( -0.098 3.315 1.041) 3.476 ======================= Grid point 540 (161/200) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( 0.000 0.000 -29.239) 29.239 2.765 ( 0.000 0.000 29.239) 29.239 3.185 ( 0.000 0.000 -38.441) 38.441 3.185 ( 0.000 0.000 38.441) 38.441 4.982 ( 0.000 0.000 -49.203) 49.203 4.982 ( 0.000 0.000 49.203) 49.203 5.041 ( 0.000 0.000 -9.061) 9.061 5.041 ( 0.000 0.000 9.061) 9.061 6.288 ( 0.000 0.000 -27.253) 27.253 6.288 ( 0.000 0.000 27.253) 27.253 7.753 ( 0.000 0.000 -16.524) 16.524 7.753 ( 0.000 0.000 16.524) 16.524 20.441 ( 0.000 0.000 -19.352) 19.352 20.441 ( 0.000 0.000 19.352) 19.352 20.527 ( 0.000 0.000 -5.891) 5.891 20.527 ( 0.000 0.000 5.891) 5.891 22.060 ( 0.000 0.000 -11.859) 11.859 22.060 ( 0.000 0.000 11.859) 11.859 22.266 ( 0.000 0.000 -11.166) 11.166 22.266 ( 0.000 0.000 11.166) 11.166 23.436 ( 0.000 0.000 -2.130) 2.130 23.436 ( 0.000 0.000 2.130) 2.130 26.352 ( 0.000 0.000 -3.936) 3.936 26.352 ( 0.000 0.000 3.936) 3.936 28.054 ( 0.000 0.000 -24.279) 24.279 28.054 ( 0.000 0.000 24.279) 24.279 29.108 ( 0.000 0.000 -4.159) 4.159 29.108 ( 0.000 0.000 4.159) 4.159 30.676 ( 0.000 0.000 -9.835) 9.835 30.676 ( 0.000 0.000 9.835) 9.835 31.630 ( 0.000 0.000 -3.647) 3.647 31.630 ( 0.000 0.000 3.647) 3.647 33.196 ( 0.000 0.000 -11.876) 11.876 33.196 ( 0.000 0.000 11.876) 11.876 35.649 ( 0.000 0.000 -13.052) 13.052 35.649 ( 0.000 0.000 13.052) 13.052 ======================= Grid point 542 (162/200) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 9.849 0.000 -27.705) 29.404 2.863 ( 9.849 0.000 27.705) 29.404 3.158 ( -1.365 0.000 -36.343) 36.368 3.158 ( -1.365 0.000 36.343) 36.368 4.995 ( -4.762 0.000 -9.272) 10.423 4.995 ( -4.762 0.000 9.272) 10.423 5.161 ( 16.976 0.000 -48.017) 50.929 5.161 ( 16.976 0.000 48.017) 50.929 6.174 ( -11.255 0.000 -24.433) 26.901 6.174 ( -11.255 0.000 24.433) 26.901 7.722 ( -3.397 0.000 -13.135) 13.567 7.722 ( -3.397 0.000 13.135) 13.567 20.399 ( -3.926 0.000 -19.537) 19.927 20.399 ( -3.926 0.000 19.537) 19.927 20.535 ( 0.869 0.000 -5.733) 5.799 20.535 ( 0.869 0.000 5.733) 5.799 22.021 ( -3.847 0.000 -11.372) 12.005 22.021 ( -3.847 0.000 11.372) 12.005 22.143 ( -11.465 0.000 -12.530) 16.984 22.143 ( -11.465 0.000 12.530) 16.984 23.479 ( 3.490 0.000 -3.369) 4.851 23.479 ( 3.490 0.000 3.369) 4.851 26.361 ( 1.076 0.000 -2.811) 3.009 26.361 ( 1.076 0.000 2.811) 3.009 28.199 ( 13.691 0.000 -19.452) 23.787 28.199 ( 13.691 0.000 19.452) 23.787 29.117 ( 1.031 0.000 -3.589) 3.734 29.117 ( 1.031 0.000 3.589) 3.734 30.680 ( 0.435 0.000 -9.219) 9.230 30.680 ( 0.435 0.000 9.219) 9.230 31.631 ( 0.129 0.000 -3.428) 3.431 31.631 ( 0.129 0.000 3.428) 3.431 33.227 ( 3.228 0.000 -11.521) 11.965 33.227 ( 3.228 0.000 11.521) 11.965 35.557 ( -9.008 0.000 -10.587) 13.901 35.557 ( -9.008 0.000 10.587) 13.901 ======================= Grid point 544 (163/200) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.125 ( 16.636 0.000 -23.942) 29.154 3.125 ( 16.636 0.000 23.942) 29.154 3.199 ( 6.808 0.000 -29.342) 30.122 3.199 ( 6.808 0.000 29.342) 30.122 4.859 ( -9.295 0.000 -9.878) 13.564 4.859 ( -9.295 0.000 9.878) 13.564 5.519 ( 12.325 0.000 -36.593) 38.613 5.519 ( 12.325 0.000 36.593) 38.613 5.923 ( -7.989 0.000 -19.108) 20.711 5.923 ( -7.989 0.000 19.108) 20.711 7.613 ( -8.112 0.000 -10.161) 13.002 7.613 ( -8.112 0.000 10.161) 13.002 20.315 ( -4.231 0.000 -18.155) 18.641 20.315 ( -4.231 0.000 18.155) 18.641 20.560 ( 1.660 0.000 -5.181) 5.440 20.560 ( 1.660 0.000 5.181) 5.440 21.886 ( -13.842 0.000 -12.951) 18.956 21.886 ( -13.842 0.000 12.951) 18.956 21.921 ( -6.219 0.000 -9.840) 11.641 21.921 ( -6.219 0.000 9.840) 11.641 23.537 ( 2.161 0.000 -4.269) 4.785 23.537 ( 2.161 0.000 4.269) 4.785 26.397 ( 2.495 0.000 -2.326) 3.411 26.397 ( 2.495 0.000 2.326) 3.411 28.509 ( 16.577 0.000 -10.666) 19.711 28.509 ( 16.577 0.000 10.666) 19.711 29.148 ( 2.156 0.000 -1.947) 2.905 29.148 ( 2.156 0.000 1.947) 2.905 30.691 ( 0.659 0.000 -7.470) 7.499 30.691 ( 0.659 0.000 7.470) 7.499 31.634 ( 0.196 0.000 -2.797) 2.803 31.634 ( 0.196 0.000 2.797) 2.803 33.316 ( 5.763 0.000 -10.329) 11.828 33.316 ( 5.763 0.000 10.329) 11.828 35.331 ( -13.478 0.000 -5.613) 14.600 35.331 ( -13.478 0.000 5.613) 14.600 ======================= Grid point 546 (164/200) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( 16.740 0.000 -19.858) 25.973 3.432 ( 16.740 0.000 19.858) 25.973 3.477 ( 19.013 0.000 -19.198) 27.019 3.477 ( 19.013 0.000 19.198) 27.019 4.642 ( -12.934 0.000 -10.622) 16.737 4.642 ( -12.934 0.000 10.622) 16.737 5.299 ( -23.579 0.000 -13.300) 27.071 5.299 ( -23.579 0.000 13.300) 27.071 6.191 ( 24.559 0.000 -36.540) 44.026 6.191 ( 24.559 0.000 36.540) 44.026 7.403 ( -13.729 0.000 -16.431) 21.412 7.403 ( -13.729 0.000 16.431) 21.412 20.250 ( -2.299 0.000 -13.104) 13.304 20.250 ( -2.299 0.000 13.104) 13.304 20.596 ( 1.910 0.000 -3.923) 4.363 20.596 ( 1.910 0.000 3.923) 4.363 21.646 ( -10.369 0.000 -9.814) 14.277 21.646 ( -10.369 0.000 9.814) 14.277 21.799 ( -5.916 0.000 -7.010) 9.172 21.799 ( -5.916 0.000 7.010) 9.172 23.561 ( 0.531 0.000 -3.314) 3.357 23.561 ( 0.531 0.000 3.314) 3.357 26.446 ( 2.358 0.000 -2.381) 3.351 26.446 ( 2.358 0.000 2.381) 3.351 28.782 ( 10.761 0.000 -4.871) 11.812 28.782 ( 10.761 0.000 4.871) 11.812 29.200 ( 3.103 0.000 -1.459) 3.429 29.200 ( 3.103 0.000 1.459) 3.429 30.703 ( 0.571 0.000 -4.842) 4.876 30.703 ( 0.571 0.000 4.842) 4.876 31.638 ( 0.170 0.000 -1.827) 1.835 31.638 ( 0.170 0.000 1.827) 1.835 33.437 ( 6.285 0.000 -7.819) 10.032 33.437 ( 6.285 0.000 7.819) 10.032 35.075 ( -12.100 0.000 -2.537) 12.363 35.075 ( -12.100 0.000 2.537) 12.363 ======================= Grid point 548 (165/200) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 184 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.770 ( 14.310 0.000 -9.186) 17.005 3.770 ( 14.310 0.000 9.186) 17.005 3.813 ( 13.470 0.000 -11.296) 17.580 3.813 ( 13.470 0.000 11.296) 17.580 4.389 ( -11.153 0.000 -8.437) 13.985 4.389 ( -11.153 0.000 8.437) 13.985 4.865 ( -16.853 0.000 -7.575) 18.477 4.865 ( -16.853 0.000 7.575) 18.477 6.666 ( 23.619 0.000 -32.258) 39.980 6.666 ( 23.619 0.000 32.258) 39.980 7.084 ( -19.221 0.000 -24.903) 31.457 7.084 ( -19.221 0.000 24.903) 31.457 20.224 ( -0.603 0.000 -4.795) 4.833 20.224 ( -0.603 0.000 4.795) 4.833 20.625 ( 0.917 0.000 -1.540) 1.793 20.625 ( 0.917 0.000 1.540) 1.793 21.505 ( -3.810 0.000 -3.670) 5.290 21.505 ( -3.810 0.000 3.670) 5.290 21.713 ( -2.498 0.000 -2.622) 3.622 21.713 ( -2.498 0.000 2.622) 3.622 23.565 ( 0.016 0.000 -1.221) 1.221 23.565 ( 0.016 0.000 1.221) 1.221 26.479 ( 0.907 0.000 -1.043) 1.382 26.479 ( 0.907 0.000 1.043) 1.382 28.914 ( 3.186 0.000 -1.846) 3.682 28.914 ( 3.186 0.000 1.846) 3.682 29.253 ( 1.777 0.000 -1.110) 2.096 29.253 ( 1.777 0.000 1.110) 2.096 30.711 ( 0.223 0.000 -1.674) 1.689 30.711 ( 0.223 0.000 1.674) 1.689 31.640 ( 0.066 0.000 -0.635) 0.638 31.640 ( 0.066 0.000 0.635) 0.638 33.533 ( 2.993 0.000 -3.122) 4.325 33.533 ( 2.993 0.000 3.122) 4.325 34.901 ( -5.071 0.000 -1.188) 5.208 34.901 ( -5.071 0.000 1.188) 5.208 ======================= Grid point 558 (166/200) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 0.000 11.964 -21.482) 24.589 2.908 ( 0.000 11.964 21.482) 24.589 3.300 ( 0.000 11.701 -30.042) 32.241 3.300 ( 0.000 11.701 30.042) 32.241 4.816 ( 0.000 -2.710 -33.074) 33.184 4.816 ( 0.000 -2.710 33.074) 33.184 5.445 ( 0.000 25.592 -22.233) 33.901 5.445 ( 0.000 25.592 22.233) 33.901 6.259 ( 0.000 -2.527 -26.133) 26.255 6.259 ( 0.000 -2.527 26.133) 26.255 7.711 ( 0.000 -4.043 -16.329) 16.822 7.711 ( 0.000 -4.043 16.329) 16.822 20.200 ( 0.000 -15.933 -2.419) 16.116 20.200 ( 0.000 -15.933 2.419) 16.116 20.622 ( 0.000 2.517 -7.531) 7.940 20.622 ( 0.000 2.517 7.531) 7.940 21.866 ( 0.000 -14.110 -10.538) 17.611 21.866 ( 0.000 -14.110 10.538) 17.611 22.424 ( 0.000 10.797 -11.289) 15.621 22.424 ( 0.000 10.797 11.289) 15.621 23.496 ( 0.000 5.350 -4.298) 6.863 23.496 ( 0.000 5.350 4.298) 6.863 26.197 ( 0.000 -14.841 -5.506) 15.830 26.197 ( 0.000 -14.841 5.506) 15.830 28.033 ( 0.000 -1.446 -22.042) 22.089 28.033 ( 0.000 -1.446 22.042) 22.089 29.046 ( 0.000 -5.350 -3.799) 6.561 29.046 ( 0.000 -5.350 3.799) 6.561 30.846 ( 0.000 14.590 -10.527) 17.991 30.846 ( 0.000 14.590 10.527) 17.991 31.685 ( 0.000 5.436 -3.955) 6.722 31.685 ( 0.000 5.436 3.955) 6.722 33.177 ( 0.000 -1.705 -10.944) 11.076 33.177 ( 0.000 -1.705 10.944) 11.076 35.528 ( 0.000 -11.476 -11.449) 16.210 35.528 ( 0.000 -11.476 11.449) 16.210 ======================= Grid point 560 (167/200) ======================= q-point: ( 0.11 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.994 ( 8.441 10.479 -16.152) 21.023 2.994 ( 8.441 10.479 16.152) 21.023 3.273 ( -1.005 12.296 -23.832) 26.836 3.273 ( -1.005 12.296 23.832) 26.836 4.918 ( 7.377 -0.554 -26.158) 27.184 4.918 ( 7.377 -0.554 26.158) 27.184 5.472 ( 4.136 22.813 -27.828) 36.221 5.472 ( 4.136 22.813 27.828) 36.221 6.148 ( -10.858 -2.281 -23.299) 25.806 6.148 ( -10.858 -2.281 23.299) 25.806 7.684 ( -3.004 -3.633 -12.974) 13.804 7.684 ( -3.004 -3.633 12.974) 13.804 20.198 ( -0.186 -14.472 -5.466) 15.471 20.198 ( -0.186 -14.472 5.466) 15.471 20.601 ( -1.867 2.038 -7.337) 7.840 20.601 ( -1.867 2.038 7.337) 7.840 21.825 ( -4.140 -13.677 -10.534) 17.753 21.825 ( -4.140 -13.677 10.534) 17.753 22.301 ( -11.502 10.118 -11.776) 19.322 22.301 ( -11.502 10.118 11.776) 19.322 23.532 ( 2.909 4.696 -4.622) 7.203 23.532 ( 2.909 4.696 4.622) 7.203 26.202 ( 0.748 -15.152 -4.458) 15.812 26.202 ( 0.748 -15.152 4.458) 15.812 28.169 ( 12.977 -2.104 -18.225) 22.472 28.169 ( 12.977 -2.104 18.225) 22.472 29.058 ( 1.163 -5.248 -3.296) 6.305 29.058 ( 1.163 -5.248 3.296) 6.305 30.847 ( 0.014 14.231 -9.852) 17.309 30.847 ( 0.014 14.231 9.852) 17.309 31.690 ( 0.441 5.695 -3.663) 6.786 31.690 ( 0.441 5.695 3.663) 6.786 33.211 ( 3.466 -1.493 -10.664) 11.312 33.211 ( 3.466 -1.493 10.664) 11.312 35.443 ( -8.346 -10.833 -9.321) 16.549 35.443 ( -8.346 -10.833 9.321) 16.549 ======================= Grid point 562 (168/200) ======================= q-point: ( 0.22 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.187 ( 10.470 4.467 -11.156) 15.939 3.187 ( 10.470 4.467 11.156) 15.939 3.357 ( 11.397 16.170 -6.940) 20.965 3.357 ( 11.397 16.170 6.940) 20.965 4.960 ( -4.074 9.010 -13.624) 16.834 4.960 ( -4.074 9.010 13.624) 16.834 5.594 ( -0.519 6.519 -23.830) 24.711 5.594 ( -0.519 6.519 23.830) 24.711 5.944 ( -0.925 3.323 -20.017) 20.312 5.944 ( -0.925 3.323 20.017) 20.312 7.585 ( -7.477 -2.600 -9.883) 12.662 7.585 ( -7.477 -2.600 9.883) 12.662 20.196 ( 0.088 -10.305 -8.923) 13.631 20.196 ( 0.088 -10.305 8.923) 13.631 20.563 ( -1.748 -0.291 -5.917) 6.177 20.563 ( -1.748 -0.291 5.917) 6.177 21.718 ( -6.537 -11.683 -10.109) 16.775 21.718 ( -6.537 -11.683 10.109) 16.775 22.041 ( -14.086 7.222 -10.964) 19.256 22.041 ( -14.086 7.222 10.964) 19.256 23.580 ( 1.782 3.771 -4.430) 6.085 23.580 ( 1.782 3.771 4.430) 6.085 26.230 ( 2.040 -15.914 -3.239) 16.368 26.230 ( 2.040 -15.914 3.239) 16.368 28.466 ( 15.947 -3.289 -11.438) 19.899 28.466 ( 15.947 -3.289 11.438) 19.899 29.090 ( 2.145 -5.173 -1.982) 5.940 29.090 ( 2.145 -5.173 1.982) 5.940 30.847 ( -0.039 13.291 -7.945) 15.485 30.847 ( -0.039 13.291 7.945) 15.485 31.701 ( 0.720 6.384 -2.868) 7.035 31.701 ( 0.720 6.384 2.868) 7.035 33.306 ( 6.190 -0.903 -9.673) 11.519 33.306 ( 6.190 -0.903 9.673) 11.519 35.232 ( -12.741 -9.492 -4.890) 16.624 35.232 ( -12.741 -9.492 4.890) 16.624 ======================= Grid point 564 (169/200) ======================= q-point: ( 0.33 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.437 ( 16.172 1.883 -16.435) 23.134 3.437 ( 16.172 1.883 16.435) 23.134 3.660 ( 17.821 16.023 -16.888) 29.318 3.660 ( 17.821 16.023 16.888) 29.318 4.797 ( -11.649 13.992 -11.340) 21.449 4.797 ( -11.649 13.992 11.340) 21.449 5.278 ( -23.490 -1.774 -12.450) 26.644 5.278 ( -23.490 -1.774 12.450) 26.644 6.245 ( 22.848 5.392 -34.391) 41.639 6.245 ( 22.848 5.392 34.391) 41.639 7.389 ( -12.929 -1.203 -15.658) 20.342 7.389 ( -12.929 -1.203 15.658) 20.342 20.203 ( 0.562 -5.005 -8.843) 10.177 20.203 ( 0.562 -5.005 8.843) 10.177 20.540 ( -0.713 -4.520 -3.442) 5.726 20.540 ( -0.713 -4.520 3.442) 5.726 21.593 ( -5.777 -6.816 -8.145) 12.090 21.593 ( -5.777 -6.816 8.145) 12.090 21.795 ( -10.794 1.449 -7.475) 13.209 21.795 ( -10.794 1.449 7.475) 13.209 23.600 ( 0.430 3.356 -3.141) 4.617 23.600 ( 0.430 3.356 3.141) 4.617 26.272 ( 2.027 -16.669 -2.547) 16.984 26.272 ( 2.027 -16.669 2.547) 16.984 28.733 ( 10.869 -3.681 -6.626) 13.251 28.733 ( 10.869 -3.681 6.626) 13.251 29.137 ( 2.593 -5.697 -1.603) 6.461 29.137 ( 2.593 -5.697 1.603) 6.461 30.845 ( -0.095 12.173 -5.119) 13.206 30.845 ( -0.095 12.173 5.119) 13.206 31.715 ( 0.674 7.214 -1.774) 7.459 31.715 ( 0.674 7.214 1.774) 7.459 33.437 ( 6.803 -0.052 -7.443) 10.083 33.437 ( 6.803 -0.052 7.443) 10.083 34.986 ( -11.764 -8.487 -2.005) 14.644 34.986 ( -11.764 -8.487 2.005) 14.644 ======================= Grid point 566 (170/200) ======================= q-point: ( 0.44 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( 13.863 0.519 -8.425) 16.231 3.762 ( 13.863 0.519 8.425) 16.231 3.975 ( 12.208 14.652 -11.196) 22.115 3.975 ( 12.208 14.652 11.196) 22.115 4.559 ( -10.691 14.852 -8.117) 20.019 4.559 ( -10.691 14.852 8.117) 20.019 4.860 ( -15.800 -0.406 -7.100) 17.327 4.860 ( -15.800 -0.406 7.100) 17.327 6.691 ( 22.299 2.523 -30.393) 37.780 6.691 ( 22.299 2.523 30.393) 37.780 7.087 ( -18.205 0.515 -23.559) 29.778 7.087 ( -18.205 0.515 23.559) 29.778 20.213 ( 0.372 -1.250 -3.789) 4.007 20.213 ( 0.372 -1.250 3.789) 4.007 20.533 ( -0.124 -8.165 -1.050) 8.233 20.533 ( -0.124 -8.165 1.050) 8.233 21.515 ( -2.039 -0.120 -3.329) 3.906 21.515 ( -2.039 -0.120 3.329) 3.906 21.645 ( -4.280 -5.552 -2.520) 7.449 21.645 ( -4.280 -5.552 2.520) 7.449 23.603 ( 0.011 3.278 -1.126) 3.466 23.603 ( 0.011 3.278 1.126) 3.466 26.300 ( 0.794 -17.091 -1.042) 17.141 26.300 ( 0.794 -17.091 1.042) 17.141 28.871 ( 3.460 -3.134 -2.515) 5.303 28.871 ( 3.460 -3.134 2.515) 5.303 29.179 ( 1.376 -6.705 -1.097) 6.932 29.179 ( 1.376 -6.705 1.097) 6.932 30.843 ( -0.054 11.420 -1.762) 11.555 30.843 ( -0.054 11.420 1.762) 11.555 31.725 ( 0.276 7.775 -0.592) 7.803 31.725 ( 0.276 7.775 0.592) 7.803 33.542 ( 3.288 0.749 -3.023) 4.529 33.542 ( 3.288 0.749 3.023) 4.529 34.815 ( -5.064 -8.237 -1.006) 9.722 34.815 ( -5.064 -8.237 1.006) 9.722 ======================= Grid point 576 (171/200) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.167 ( 0.000 12.793 -6.593) 14.392 3.167 ( 0.000 12.793 6.593) 14.392 3.641 ( 0.000 19.598 -10.458) 22.214 3.641 ( 0.000 19.598 10.458) 22.214 4.913 ( 0.000 12.432 -26.704) 29.456 4.913 ( 0.000 12.432 26.704) 29.456 5.964 ( 0.000 17.470 -24.869) 30.392 5.964 ( 0.000 17.470 24.869) 30.392 6.248 ( 0.000 8.552 -17.381) 19.371 6.248 ( 0.000 8.552 17.381) 19.371 7.593 ( 0.000 -7.320 -15.581) 17.214 7.593 ( 0.000 -7.320 15.581) 17.214 19.865 ( 0.000 -16.052 -4.543) 16.682 19.865 ( 0.000 -16.052 4.543) 16.682 20.611 ( 0.000 -3.160 -8.578) 9.141 20.611 ( 0.000 -3.160 8.578) 9.141 21.548 ( 0.000 -16.527 -7.199) 18.027 21.548 ( 0.000 -16.527 7.199) 18.027 22.659 ( 0.000 12.155 -10.609) 16.133 22.659 ( 0.000 12.155 10.609) 16.133 23.621 ( 0.000 6.058 -8.284) 10.263 23.621 ( 0.000 6.058 8.284) 10.263 25.790 ( 0.000 -23.580 -8.570) 25.089 25.790 ( 0.000 -23.580 8.570) 25.089 28.015 ( 0.000 -0.367 -17.994) 17.997 28.015 ( 0.000 -0.367 17.994) 17.997 28.916 ( 0.000 -6.989 -2.465) 7.411 28.916 ( 0.000 -6.989 2.465) 7.411 31.159 ( 0.000 13.901 -10.204) 17.244 31.159 ( 0.000 13.901 10.204) 17.244 31.849 ( 0.000 10.583 -4.787) 11.615 31.849 ( 0.000 10.583 4.787) 11.615 33.133 ( 0.000 -2.371 -8.370) 8.699 33.133 ( 0.000 -2.371 8.370) 8.699 35.208 ( 0.000 -19.167 -8.235) 20.861 35.208 ( 0.000 -19.167 8.235) 20.861 ======================= Grid point 578 (172/200) ======================= q-point: ( 0.11 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.214 ( 4.267 11.176 -7.737) 14.246 3.214 ( 4.267 11.176 7.737) 14.246 3.639 ( 1.719 20.910 -6.583) 21.989 3.639 ( 1.719 20.910 6.583) 21.989 5.030 ( 10.029 11.831 -24.612) 29.091 5.030 ( 10.029 11.831 24.612) 29.091 5.933 ( -4.176 12.679 -20.881) 24.783 5.933 ( -4.176 12.679 20.881) 24.783 6.157 ( -7.317 11.937 -8.544) 16.402 6.157 ( -7.317 11.937 8.544) 16.402 7.581 ( -1.570 -6.157 -12.267) 13.815 7.581 ( -1.570 -6.157 12.267) 13.815 19.886 ( 2.202 -15.186 -5.246) 16.217 19.886 ( 2.202 -15.186 5.246) 16.217 20.590 ( -2.117 -2.883 -9.775) 10.409 20.590 ( -2.117 -2.883 9.775) 10.409 21.513 ( -3.349 -16.327 -7.204) 18.157 21.513 ( -3.349 -16.327 7.204) 18.157 22.524 ( -13.004 11.761 -10.839) 20.613 22.524 ( -13.004 11.761 10.839) 20.613 23.640 ( 1.493 5.104 -7.047) 8.828 23.640 ( 1.493 5.104 7.047) 8.828 25.786 ( -0.213 -24.277 -7.751) 25.485 25.786 ( -0.213 -24.277 7.751) 25.485 28.138 ( 11.726 -0.973 -15.868) 19.755 28.138 ( 11.726 -0.973 15.868) 19.755 28.930 ( 1.335 -6.852 -2.138) 7.301 28.930 ( 1.335 -6.852 2.138) 7.301 31.153 ( -0.631 13.754 -9.459) 16.705 31.153 ( -0.631 13.754 9.459) 16.705 31.857 ( 0.827 10.577 -4.341) 11.463 31.857 ( 0.827 10.577 4.341) 11.463 33.172 ( 3.979 -2.121 -8.305) 9.450 33.172 ( 3.979 -2.121 8.305) 9.450 35.140 ( -6.800 -18.280 -6.776) 20.648 35.140 ( -6.800 -18.280 6.776) 20.648 ======================= Grid point 580 (173/200) ======================= q-point: ( 0.22 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.318 ( 7.113 8.558 -16.411) 19.828 3.318 ( 7.113 8.558 16.411) 19.828 3.771 ( 12.107 22.060 -16.949) 30.340 3.771 ( 12.107 22.060 16.949) 30.340 5.181 ( 2.762 11.809 -19.133) 22.653 5.181 ( 2.762 11.809 19.133) 22.653 5.704 ( -19.222 3.536 -4.367) 20.027 5.704 ( -19.222 3.536 4.367) 20.027 6.144 ( 7.981 16.859 -22.830) 29.481 6.144 ( 7.981 16.859 22.830) 29.481 7.518 ( -5.313 -3.511 -8.853) 10.906 7.518 ( -5.313 -3.511 8.853) 10.906 19.949 ( 4.247 -12.920 -6.356) 15.012 19.949 ( 4.247 -12.920 6.356) 15.012 20.533 ( -3.777 -2.860 -11.439) 12.381 20.533 ( -3.777 -2.860 11.439) 12.381 21.436 ( -4.034 -15.210 -6.459) 17.010 21.436 ( -4.034 -15.210 6.459) 17.010 22.211 ( -18.149 9.399 -10.314) 22.894 22.211 ( -18.149 9.399 10.314) 22.894 23.664 ( 0.824 3.715 -4.834) 6.152 23.664 ( 0.824 3.715 4.834) 6.152 25.791 ( 0.739 -25.831 -6.017) 26.533 25.791 ( 0.739 -25.831 6.017) 26.533 28.409 ( 14.925 -2.073 -12.241) 19.414 28.409 ( 14.925 -2.073 12.241) 19.414 28.963 ( 1.964 -6.699 -1.706) 7.186 28.963 ( 1.964 -6.699 1.706) 7.186 31.136 ( -1.028 13.383 -7.458) 15.355 31.136 ( -1.028 13.383 7.458) 15.355 31.879 ( 1.341 10.601 -3.223) 11.162 31.879 ( 1.341 10.601 3.223) 11.162 33.282 ( 7.097 -1.453 -7.876) 10.701 33.282 ( 7.097 -1.453 7.876) 10.701 34.963 ( -10.930 -16.333 -3.460) 19.955 34.963 ( -10.930 -16.333 3.460) 19.955 ======================= Grid point 582 (174/200) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.521 ( 14.128 6.455 -13.773) 20.760 3.521 ( 14.128 6.455 13.773) 20.760 4.064 ( 16.862 21.766 -18.503) 33.173 4.064 ( 16.862 21.766 18.503) 33.173 5.095 ( -11.399 8.296 -17.343) 22.351 5.095 ( -11.399 8.296 17.343) 22.351 5.286 ( -21.632 8.175 -5.025) 23.665 5.286 ( -21.632 8.175 5.025) 23.665 6.415 ( 18.088 11.269 -28.311) 35.436 6.415 ( 18.088 11.269 28.311) 35.436 7.367 ( -10.377 -0.344 -13.153) 16.757 7.367 ( -10.377 -0.344 13.153) 16.757 20.046 ( 5.657 -9.736 -6.827) 13.168 20.046 ( 5.657 -9.736 6.827) 13.168 20.447 ( -5.072 -4.537 -11.021) 12.953 20.447 ( -5.072 -4.537 11.021) 12.953 21.382 ( -0.973 -12.387 -3.815) 12.997 21.382 ( -0.973 -12.387 3.815) 12.997 21.867 ( -16.652 4.961 -8.574) 19.375 21.867 ( -16.652 4.961 8.574) 19.375 23.672 ( 0.138 3.035 -2.822) 4.147 23.672 ( 0.138 3.035 2.822) 4.147 25.810 ( 1.057 -27.314 -3.962) 27.620 25.810 ( 1.057 -27.314 3.962) 27.620 28.669 ( 11.292 -2.375 -9.187) 14.749 28.669 ( 11.292 -2.375 9.187) 14.749 28.998 ( 1.396 -7.182 -2.507) 7.734 28.998 ( 1.396 -7.182 2.507) 7.734 31.116 ( -0.955 12.972 -4.695) 13.828 31.116 ( -0.955 12.972 4.695) 13.828 31.905 ( 1.234 10.678 -1.883) 10.913 31.905 ( 1.234 10.678 1.883) 10.913 33.432 ( 7.959 -0.473 -6.406) 10.228 33.432 ( 7.959 -0.473 6.406) 10.228 34.745 ( -10.886 -14.737 -0.635) 18.333 34.745 ( -10.886 -14.737 0.635) 18.333 ======================= Grid point 584 (175/200) ======================= q-point: ( 0.44 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.817 ( 13.140 4.928 -6.809) 15.599 3.817 ( 13.140 4.928 6.809) 15.599 4.345 ( 8.605 19.436 -10.757) 23.822 4.345 ( 8.605 19.436 10.757) 23.822 4.827 ( -8.641 2.551 -13.293) 16.059 4.827 ( -8.641 2.551 13.293) 16.059 4.945 ( -14.080 16.547 -12.094) 24.866 4.945 ( -14.080 16.547 12.094) 24.866 6.780 ( 18.491 6.490 -24.750) 31.569 6.780 ( 18.491 6.490 24.750) 31.569 7.119 ( -15.059 3.192 -19.232) 24.634 7.119 ( -15.059 3.192 19.232) 24.634 20.154 ( 4.731 -5.132 -5.353) 8.796 20.154 ( 4.731 -5.132 5.353) 8.796 20.347 ( -4.509 -8.809 -6.953) 12.094 20.347 ( -4.509 -8.809 6.953) 12.094 21.414 ( 4.222 -8.747 -1.163) 9.783 21.414 ( 4.222 -8.747 1.163) 9.783 21.595 ( -10.774 0.492 -5.158) 11.955 21.595 ( -10.774 0.492 5.158) 11.955 23.672 ( -0.021 2.868 -0.937) 3.018 23.672 ( -0.021 2.868 0.937) 3.018 25.825 ( 0.452 -28.155 -1.421) 28.194 25.825 ( 0.452 -28.155 1.421) 28.194 28.825 ( 4.403 -1.160 -4.366) 6.308 28.825 ( 4.403 -1.160 4.366) 6.308 29.012 ( 0.178 -8.793 -2.102) 9.043 29.012 ( 0.178 -8.793 2.102) 9.043 31.103 ( -0.389 12.713 -1.595) 12.819 31.103 ( -0.389 12.713 1.595) 12.819 31.923 ( 0.497 10.748 -0.607) 10.776 31.923 ( 0.497 10.748 0.607) 10.776 33.558 ( 4.034 0.617 -2.751) 4.921 33.558 ( 4.034 0.617 2.751) 4.921 34.580 ( -5.085 -14.340 -0.600) 15.227 34.580 ( -5.085 -14.340 0.600) 15.227 ======================= Grid point 594 (176/200) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.432 ( 0.000 13.310 -5.834) 14.532 3.432 ( 0.000 13.310 5.834) 14.532 4.015 ( 0.000 16.449 -1.826) 16.551 4.015 ( 0.000 16.449 1.826) 16.551 5.300 ( 0.000 23.801 -14.749) 28.001 5.300 ( 0.000 23.801 14.749) 28.001 5.993 ( 0.000 -4.179 -25.367) 25.709 5.993 ( 0.000 -4.179 25.367) 25.709 6.733 ( 0.000 27.400 -11.602) 29.755 6.733 ( 0.000 27.400 11.602) 29.755 7.433 ( 0.000 -7.046 -13.520) 15.246 7.433 ( 0.000 -7.046 13.520) 15.246 19.576 ( 0.000 -11.780 -6.603) 13.504 19.576 ( 0.000 -11.780 6.603) 13.504 20.509 ( 0.000 -6.484 -7.393) 9.834 20.509 ( 0.000 -6.484 7.393) 9.834 21.214 ( 0.000 -15.872 -3.041) 16.161 21.214 ( 0.000 -15.872 3.041) 16.161 22.915 ( 0.000 12.815 -8.788) 15.539 22.915 ( 0.000 12.815 8.788) 15.539 23.712 ( 0.000 2.412 -9.707) 10.002 23.712 ( 0.000 2.412 9.707) 10.002 25.299 ( 0.000 -23.421 -11.583) 26.129 25.299 ( 0.000 -23.421 11.583) 26.129 28.003 ( 0.000 -1.171 -14.527) 14.575 28.003 ( 0.000 -1.171 14.527) 14.575 28.773 ( 0.000 -6.802 -0.345) 6.811 28.773 ( 0.000 -6.802 0.345) 6.811 31.367 ( 0.000 6.530 -7.643) 10.052 31.367 ( 0.000 6.530 7.643) 10.052 32.097 ( 0.000 12.860 -5.125) 13.844 32.097 ( 0.000 12.860 5.125) 13.844 33.091 ( 0.000 -1.598 -4.836) 5.093 33.091 ( 0.000 -1.598 4.836) 5.093 34.779 ( 0.000 -22.218 -5.758) 22.952 34.779 ( 0.000 -22.218 5.758) 22.952 ======================= Grid point 596 (177/200) ======================= q-point: ( 0.11 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.460 ( 2.609 12.958 -8.155) 15.531 3.460 ( 2.609 12.958 8.155) 15.531 4.031 ( 2.974 16.727 -10.826) 20.146 4.031 ( 2.974 16.727 10.826) 20.146 5.375 ( 5.593 19.918 -14.650) 25.350 5.375 ( 5.593 19.918 14.650) 25.350 5.945 ( -4.651 -1.449 -21.261) 21.812 5.945 ( -4.651 -1.449 21.261) 21.812 6.635 ( -8.260 23.772 -9.973) 27.070 6.635 ( -8.260 23.772 9.973) 27.070 7.465 ( 2.266 -3.374 -9.788) 10.598 7.465 ( 2.266 -3.374 9.788) 10.598 19.610 ( 3.419 -11.417 -7.067) 13.856 19.610 ( 3.419 -11.417 7.067) 13.856 20.495 ( -1.512 -6.138 -9.040) 11.031 20.495 ( -1.512 -6.138 9.040) 11.031 21.184 ( -2.796 -15.574 -2.960) 16.097 21.184 ( -2.796 -15.574 2.960) 16.097 22.776 ( -13.822 12.861 -9.537) 21.153 22.776 ( -13.822 12.861 9.537) 21.153 23.712 ( -0.062 1.617 -7.886) 8.051 23.712 ( -0.062 1.617 7.886) 8.051 25.273 ( -2.176 -24.890 -10.457) 27.085 25.273 ( -2.176 -24.890 10.457) 27.085 28.117 ( 10.867 -1.438 -13.230) 17.181 28.117 ( 10.867 -1.438 13.230) 17.181 28.792 ( 1.796 -6.456 -0.665) 6.734 28.792 ( 1.796 -6.456 0.665) 6.734 31.364 ( -0.304 6.971 -7.073) 9.935 31.364 ( -0.304 6.971 7.073) 9.935 32.098 ( 0.199 12.262 -4.698) 13.133 32.098 ( 0.199 12.262 4.698) 13.133 33.133 ( 4.342 -1.503 -5.133) 6.889 33.133 ( 4.342 -1.503 5.133) 6.889 34.729 ( -5.062 -21.359 -4.924) 22.496 34.729 ( -5.062 -21.359 4.924) 22.496 ======================= Grid point 598 (178/200) ======================= q-point: ( 0.22 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.531 ( 5.313 12.052 -12.036) 17.842 3.531 ( 5.313 12.052 12.036) 17.842 4.174 ( 11.973 16.333 -20.819) 29.044 4.174 ( 11.973 16.333 20.819) 29.044 5.384 ( -7.538 6.134 -15.112) 17.967 5.384 ( -7.538 6.134 15.112) 17.967 5.830 ( -7.744 11.527 -5.528) 14.947 5.830 ( -7.744 11.527 5.528) 14.947 6.529 ( 0.517 17.596 -15.807) 23.659 6.529 ( 0.517 17.596 15.807) 23.659 7.483 ( -1.081 1.748 -6.343) 6.667 7.483 ( -1.081 1.748 6.343) 6.667 19.705 ( 6.256 -10.452 -8.335) 14.760 19.705 ( 6.256 -10.452 8.335) 14.760 20.445 ( -3.897 -5.698 -11.921) 13.775 20.445 ( -3.897 -5.698 11.921) 13.775 21.131 ( -1.893 -14.138 -2.304) 14.449 21.131 ( -1.893 -14.138 2.304) 14.449 22.420 ( -21.834 11.055 -9.657) 26.309 22.420 ( -21.834 11.055 9.657) 26.309 23.709 ( -0.295 0.403 -4.835) 4.861 23.709 ( -0.295 0.403 4.835) 4.861 25.235 ( -1.514 -27.654 -8.009) 28.830 25.235 ( -1.514 -27.654 8.009) 28.830 28.370 ( 14.006 -2.152 -11.256) 18.097 28.370 ( 14.006 -2.152 11.256) 18.097 28.835 ( 2.436 -5.605 -1.846) 6.384 28.835 ( 2.436 -5.605 1.846) 6.384 31.356 ( -0.596 8.040 -5.537) 9.780 31.356 ( -0.596 8.040 5.537) 9.780 32.106 ( 0.560 10.900 -3.588) 11.489 32.106 ( 0.560 10.900 3.588) 11.489 33.252 ( 7.665 -1.348 -5.535) 9.550 33.252 ( 7.665 -1.348 5.535) 9.550 34.593 ( -8.677 -19.318 -2.950) 21.382 34.593 ( -8.677 -19.318 2.950) 21.382 ======================= Grid point 600 (179/200) ======================= q-point: ( 0.33 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.693 ( 11.801 10.108 -9.625) 18.278 3.693 ( 11.801 10.108 9.625) 18.278 4.465 ( 16.951 15.848 -22.351) 32.219 4.465 ( 16.951 15.848 22.351) 32.219 5.103 ( -18.842 -1.352 -12.052) 22.407 5.103 ( -18.842 -1.352 12.052) 22.407 5.609 ( -14.949 17.007 -10.138) 24.808 5.609 ( -14.949 17.007 10.138) 24.808 6.682 ( 13.312 14.069 -19.874) 27.751 6.682 ( 13.312 14.069 19.874) 27.751 7.412 ( -6.325 5.851 -8.769) 12.294 7.412 ( -6.325 5.851 8.769) 12.294 19.845 ( 8.174 -9.139 -10.162) 15.924 19.845 ( 8.174 -9.139 10.162) 15.924 20.341 ( -6.808 -6.052 -13.472) 16.262 20.341 ( -6.808 -6.052 13.472) 16.262 21.138 ( 3.092 -10.837 -2.859) 11.626 21.138 ( 3.092 -10.837 2.859) 11.626 21.983 ( -22.213 6.380 -8.758) 24.715 21.983 ( -22.213 6.380 8.758) 24.715 23.703 ( -0.250 -0.229 -2.517) 2.539 23.703 ( -0.250 -0.229 2.517) 2.539 25.216 ( -0.497 -29.838 -5.041) 30.265 25.216 ( -0.497 -29.838 5.041) 30.265 28.619 ( 11.205 -3.035 -9.698) 15.127 28.619 ( 11.205 -3.035 9.698) 15.127 28.874 ( 1.215 -4.598 -3.671) 6.007 28.874 ( 1.215 -4.598 3.671) 6.007 31.343 ( -0.637 9.155 -3.445) 9.802 31.343 ( -0.637 9.155 3.445) 9.802 32.119 ( 0.693 9.584 -2.165) 9.850 32.119 ( 0.693 9.584 2.165) 9.850 33.416 ( 8.821 -1.138 -5.088) 10.247 33.416 ( 8.821 -1.138 5.088) 10.247 34.411 ( -9.601 -17.353 -1.380) 19.880 34.411 ( -9.601 -17.353 1.380) 19.880 ======================= Grid point 602 (180/200) ======================= q-point: ( 0.44 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( 12.445 8.246 -5.265) 15.830 3.954 ( 12.445 8.246 5.265) 15.830 4.632 ( -8.907 5.696 -1.733) 10.714 4.632 ( -8.907 5.696 1.733) 10.714 4.918 ( 11.486 9.675 -15.446) 21.543 4.918 ( 11.486 9.675 15.446) 21.543 5.285 ( -17.442 14.357 -16.001) 27.684 5.285 ( -17.442 14.357 16.001) 27.684 6.961 ( 13.866 11.363 -16.144) 24.125 6.961 ( 13.866 11.363 16.144) 24.125 7.244 ( -10.496 9.544 -12.069) 18.626 7.244 ( -10.496 9.544 12.069) 18.626 20.013 ( 8.875 -7.690 -11.875) 16.701 20.013 ( 8.875 -7.690 11.875) 16.701 20.190 ( -8.501 -7.021 -13.160) 17.168 20.190 ( -8.501 -7.021 13.160) 17.168 21.251 ( 7.629 -6.345 -4.511) 10.900 21.251 ( 7.629 -6.345 4.511) 10.900 21.609 ( -14.776 0.637 -6.499) 16.154 21.609 ( -14.776 0.637 6.499) 16.154 23.700 ( -0.083 -0.404 -0.785) 0.887 23.700 ( -0.083 -0.404 0.785) 0.887 25.211 ( -0.088 -30.958 -1.732) 31.007 25.211 ( -0.088 -30.958 1.732) 31.007 28.790 ( 6.349 -4.231 -7.836) 10.936 28.790 ( 6.349 -4.231 7.836) 10.936 28.870 ( -1.847 -3.315 -5.726) 6.869 28.870 ( -1.847 -3.315 5.726) 6.869 31.334 ( -0.276 9.821 -1.159) 9.893 31.334 ( -0.276 9.821 1.159) 9.893 32.129 ( 0.315 8.844 -0.712) 8.878 32.129 ( 0.315 8.844 0.712) 8.878 33.560 ( 4.906 -0.481 -2.466) 5.512 33.560 ( 4.906 -0.481 2.466) 5.512 34.256 ( -5.183 -16.744 -0.903) 17.551 34.256 ( -5.183 -16.744 0.903) 17.551 ======================= Grid point 612 (181/200) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.706 ( 0.000 13.426 -10.219) 16.872 3.706 ( 0.000 13.426 10.219) 16.872 4.314 ( 0.000 13.225 -2.796) 13.517 4.314 ( 0.000 13.225 2.796) 13.517 5.703 ( 0.000 7.195 -9.704) 12.081 5.703 ( 0.000 7.195 9.704) 12.081 6.015 ( 0.000 13.611 -16.058) 21.050 6.015 ( 0.000 13.611 16.058) 21.050 7.018 ( 0.000 -4.187 -14.372) 14.970 7.018 ( 0.000 -4.187 14.372) 14.970 7.522 ( 0.000 19.789 -7.377) 21.120 7.522 ( 0.000 19.789 7.377) 21.120 19.397 ( 0.000 -5.782 -5.226) 7.794 19.397 ( 0.000 -5.782 5.226) 7.794 20.363 ( 0.000 -7.548 -5.714) 9.467 20.363 ( 0.000 -7.548 5.714) 9.467 20.910 ( 0.000 -13.926 -0.724) 13.944 20.910 ( 0.000 -13.926 0.724) 13.944 23.172 ( 0.000 12.070 -6.150) 13.546 23.172 ( 0.000 12.070 6.150) 13.546 23.711 ( 0.000 -2.302 -7.178) 7.538 23.711 ( 0.000 -2.302 7.178) 7.538 24.877 ( 0.000 -17.471 -14.041) 22.414 24.877 ( 0.000 -17.471 14.041) 22.414 27.956 ( 0.000 -3.527 -11.559) 12.085 27.956 ( 0.000 -3.527 11.559) 12.085 28.649 ( 0.000 -5.242 -1.563) 5.470 28.649 ( 0.000 -5.242 1.563) 5.470 31.444 ( 0.000 1.575 -5.173) 5.407 31.444 ( 0.000 1.575 5.173) 5.407 32.336 ( 0.000 9.952 -3.093) 10.421 32.336 ( 0.000 9.952 3.093) 10.421 33.077 ( 0.000 0.454 -1.215) 1.297 33.077 ( 0.000 0.454 1.215) 1.297 34.330 ( 0.000 -21.415 -4.607) 21.905 34.330 ( 0.000 -21.415 4.607) 21.905 ======================= Grid point 614 (182/200) ======================= q-point: ( 0.11 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.733 ( 2.487 13.563 -8.403) 16.148 3.733 ( 2.487 13.563 8.403) 16.148 4.320 ( 1.663 11.947 -10.581) 16.045 4.320 ( 1.663 11.947 10.581) 16.045 5.645 ( -6.672 2.962 -10.565) 12.841 5.645 ( -6.672 2.962 10.565) 12.841 6.086 ( 6.315 17.457 -11.456) 21.815 6.086 ( 6.315 17.457 11.456) 21.815 6.886 ( -10.526 -0.723 -8.858) 13.776 6.886 ( -10.526 -0.723 8.858) 13.776 7.589 ( 4.896 16.753 -4.707) 18.077 7.589 ( 4.896 16.753 4.707) 18.077 19.434 ( 3.828 -5.714 -6.166) 9.237 19.434 ( 3.828 -5.714 6.166) 9.237 20.354 ( -1.073 -7.393 -7.226) 10.393 20.354 ( -1.073 -7.393 7.226) 10.393 20.889 ( -1.717 -13.287 -1.902) 13.532 20.889 ( -1.717 -13.287 1.902) 13.532 23.040 ( -13.716 12.837 -8.202) 20.499 23.040 ( -13.716 12.837 8.202) 20.499 23.700 ( -1.074 -2.683 -6.984) 7.558 23.700 ( -1.074 -2.683 6.984) 7.558 24.809 ( -5.884 -20.195 -11.360) 23.906 24.809 ( -5.884 -20.195 11.360) 23.906 28.069 ( 10.730 -3.290 -10.295) 15.230 28.069 ( 10.730 -3.290 10.295) 15.230 28.675 ( 2.560 -4.901 -1.942) 5.860 28.675 ( 2.560 -4.901 1.942) 5.860 31.453 ( 0.855 2.214 -4.857) 5.406 31.453 ( 0.855 2.214 4.857) 5.406 32.323 ( -1.234 9.163 -3.164) 9.772 32.323 ( -1.234 9.163 3.164) 9.772 33.119 ( 4.268 0.329 -2.358) 4.887 33.119 ( 4.268 0.329 2.358) 4.887 34.296 ( -3.388 -20.602 -4.325) 21.322 34.296 ( -3.388 -20.602 4.325) 21.322 ======================= Grid point 616 (183/200) ======================= q-point: ( 0.22 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.793 ( 4.095 13.373 -7.129) 15.698 3.793 ( 4.095 13.373 7.129) 15.698 4.423 ( 9.500 8.433 -21.050) 24.586 4.423 ( 9.500 8.433 21.050) 24.586 5.441 ( -14.129 1.234 -8.380) 16.474 5.441 ( -14.129 1.234 8.380) 16.474 6.132 ( -5.841 14.140 -3.689) 15.737 6.132 ( -5.841 14.140 3.689) 15.737 6.771 ( 2.676 7.033 -7.055) 10.315 6.771 ( 2.676 7.033 7.055) 10.315 7.655 ( 1.258 14.838 -3.799) 15.368 7.655 ( 1.258 14.838 3.799) 15.368 19.540 ( 6.966 -5.519 -8.421) 12.243 19.540 ( 6.966 -5.519 8.421) 12.243 20.310 ( -3.737 -7.144 -9.745) 12.648 20.310 ( -3.737 -7.144 9.745) 12.648 20.873 ( 0.912 -11.196 -3.950) 11.907 20.873 ( 0.912 -11.196 3.950) 11.907 22.655 ( -25.223 11.900 -9.561) 29.482 22.655 ( -25.223 11.900 9.561) 29.482 23.678 ( -1.036 -3.249 -5.194) 6.214 23.678 ( -1.036 -3.249 5.194) 6.214 24.698 ( -4.790 -24.519 -7.249) 26.013 24.698 ( -4.790 -24.519 7.249) 26.013 28.315 ( 13.384 -3.158 -8.614) 16.226 28.315 ( 13.384 -3.158 8.614) 16.226 28.738 ( 3.691 -3.996 -2.824) 6.129 28.738 ( 3.691 -3.996 2.824) 6.129 31.474 ( 1.201 3.931 -3.976) 5.718 31.474 ( 1.201 3.931 3.976) 5.718 32.295 ( -1.453 7.225 -3.004) 7.959 32.295 ( -1.453 7.225 3.004) 7.959 33.233 ( 7.292 -0.242 -3.674) 8.169 33.233 ( 7.292 -0.242 3.674) 8.169 34.203 ( -6.191 -18.498 -3.714) 19.857 34.203 ( -6.191 -18.498 3.714) 19.857 ======================= Grid point 618 (184/200) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.917 ( 9.242 11.515 -5.889) 15.896 3.917 ( 9.242 11.515 5.889) 15.896 4.659 ( 12.654 3.114 -25.551) 28.682 4.659 ( 12.654 3.114 25.551) 28.682 5.133 ( -15.449 4.812 -5.200) 16.996 5.133 ( -15.449 4.812 5.200) 16.996 5.871 ( -18.209 7.451 -13.974) 24.132 5.871 ( -18.209 7.451 13.974) 24.132 6.966 ( 14.183 14.027 -11.007) 22.783 6.966 ( 14.183 14.027 11.007) 22.783 7.627 ( -4.129 14.599 -5.119) 16.012 7.627 ( -4.129 14.599 5.119) 16.012 19.695 ( 8.928 -5.322 -10.959) 15.104 19.695 ( 8.928 -5.322 10.959) 15.104 20.207 ( -6.765 -6.639 -11.386) 14.815 20.207 ( -6.765 -6.639 11.386) 14.815 20.950 ( 7.432 -7.810 -6.430) 12.553 20.950 ( 7.432 -7.810 6.430) 12.553 22.122 ( -28.405 7.181 -8.132) 30.406 22.122 ( -28.405 7.181 8.132) 30.406 23.663 ( -0.498 -3.480 -2.914) 4.566 23.663 ( -0.498 -3.480 2.914) 4.566 24.631 ( -2.282 -26.978 -4.080) 27.380 24.631 ( -2.282 -26.978 4.080) 27.380 28.547 ( 9.988 -3.643 -7.114) 12.792 28.547 ( 9.988 -3.643 7.114) 12.792 28.804 ( 2.851 -2.721 -3.512) 5.278 28.804 ( 2.851 -2.721 3.512) 5.278 31.495 ( 0.929 6.040 -2.637) 6.656 31.495 ( 0.929 6.040 2.637) 6.656 32.272 ( -0.937 5.029 -2.212) 5.573 32.272 ( -0.937 5.029 2.212) 5.573 33.390 ( 8.526 -1.232 -4.136) 9.556 33.390 ( 8.526 -1.232 4.136) 9.556 34.066 ( -7.697 -16.010 -3.230) 18.056 34.066 ( -7.697 -16.010 3.230) 18.056 ======================= Grid point 620 (185/200) ======================= q-point: ( 0.44 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.136 ( 11.379 9.232 -5.017) 15.488 4.136 ( 11.379 9.232 5.017) 15.488 4.652 ( -11.825 -1.143 -10.169) 15.638 4.652 ( -11.825 -1.143 10.169) 15.638 5.130 ( 15.716 8.743 -18.372) 25.709 5.130 ( 15.716 8.743 18.372) 25.709 5.495 ( -19.907 6.084 -19.180) 28.305 5.495 ( -19.907 6.084 19.180) 28.305 7.235 ( 12.168 15.176 -8.617) 21.275 7.235 ( 12.168 15.176 8.617) 21.275 7.502 ( -8.081 14.991 -6.348) 18.175 7.502 ( -8.081 14.991 6.348) 18.175 19.874 ( 9.131 -5.614 -12.154) 16.205 19.874 ( 9.131 -5.614 12.154) 16.205 20.058 ( -8.306 -5.525 -12.070) 15.659 20.058 ( -8.306 -5.525 12.070) 15.659 21.160 ( 13.374 -2.978 -6.829) 15.309 21.160 ( 13.374 -2.978 6.829) 15.309 21.620 ( -21.560 0.511 -6.564) 22.543 21.620 ( -21.560 0.511 6.564) 22.543 23.657 ( -0.120 -3.513 -0.927) 3.636 23.657 ( -0.120 -3.513 0.927) 3.636 24.604 ( -0.650 -27.961 -1.331) 28.000 24.604 ( -0.650 -27.961 1.331) 28.000 28.683 ( 3.786 -4.658 -3.418) 6.908 28.683 ( 3.786 -4.658 3.418) 6.908 28.841 ( 0.863 -1.306 -2.167) 2.673 28.841 ( 0.863 -1.306 2.167) 2.673 31.507 ( 0.331 7.494 -0.931) 7.559 31.507 ( 0.331 7.494 0.931) 7.559 32.260 ( -0.296 3.574 -0.817) 3.678 32.260 ( -0.296 3.574 0.817) 3.678 33.538 ( 5.550 -1.656 -2.565) 6.335 33.538 ( 5.550 -1.656 2.565) 6.335 33.929 ( -5.244 -14.712 -2.066) 15.754 33.929 ( -5.244 -14.712 2.066) 15.754 ======================= Grid point 630 (186/200) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.966 ( 0.000 11.748 -11.863) 16.696 3.966 ( 0.000 11.748 11.863) 16.696 4.556 ( 0.000 10.398 -5.667) 11.842 4.556 ( 0.000 10.398 5.667) 11.842 5.683 ( 0.000 -3.403 -10.370) 10.914 5.683 ( 0.000 -3.403 10.370) 10.914 6.411 ( 0.000 18.226 -3.308) 18.524 6.411 ( 0.000 18.226 3.308) 18.524 6.833 ( 0.000 -9.763 -12.989) 16.249 6.833 ( 0.000 -9.763 12.989) 16.249 7.963 ( 0.000 19.981 -5.170) 20.639 7.963 ( 0.000 19.981 5.170) 20.639 19.338 ( 0.000 -0.242 -2.458) 2.470 19.338 ( 0.000 -0.242 2.458) 2.470 20.217 ( 0.000 -6.380 -3.833) 7.442 20.217 ( 0.000 -6.380 3.833) 7.442 20.649 ( 0.000 -11.687 -3.066) 12.082 20.649 ( 0.000 -11.687 3.066) 12.082 23.380 ( 0.000 7.146 -1.900) 7.394 23.380 ( 0.000 7.146 1.900) 7.394 23.651 ( 0.000 -2.113 -5.224) 5.635 23.651 ( 0.000 -2.113 5.224) 5.635 24.595 ( 0.000 -10.390 -13.273) 16.856 24.595 ( 0.000 -10.390 13.273) 16.856 27.866 ( 0.000 -4.917 -8.245) 9.600 27.866 ( 0.000 -4.917 8.245) 9.600 28.564 ( 0.000 -3.129 -2.164) 3.804 28.564 ( 0.000 -3.129 2.164) 3.804 31.451 ( 0.000 -0.442 -3.406) 3.435 31.451 ( 0.000 -0.442 3.406) 3.435 32.487 ( 0.000 4.807 -0.163) 4.810 32.487 ( 0.000 4.807 0.163) 4.810 33.115 ( 0.000 3.382 -1.482) 3.693 33.115 ( 0.000 3.382 1.482) 3.693 33.927 ( 0.000 -17.785 -3.953) 18.219 33.927 ( 0.000 -17.785 3.953) 18.219 ======================= Grid point 632 (187/200) ======================= q-point: ( 0.11 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.997 ( 2.904 11.995 -9.894) 15.818 3.997 ( 2.904 11.995 9.894) 15.818 4.525 ( -2.076 8.209 -8.879) 12.269 4.525 ( -2.076 8.209 8.879) 12.269 5.633 ( -5.297 -1.386 -8.086) 9.766 5.633 ( -5.297 -1.386 8.086) 9.766 6.445 ( -0.372 11.654 -0.557) 11.674 6.445 ( -0.372 11.654 0.557) 11.674 6.790 ( -0.510 -2.769 -8.121) 8.596 6.790 ( -0.510 -2.769 8.121) 8.596 7.983 ( 1.486 18.630 -4.400) 19.200 7.983 ( 1.486 18.630 4.400) 19.200 19.375 ( 3.807 -0.313 -4.485) 5.891 19.375 ( 3.807 -0.313 4.485) 5.891 20.211 ( -0.876 -6.300 -4.959) 8.065 20.211 ( -0.876 -6.300 4.959) 8.065 20.642 ( -0.192 -10.948 -4.385) 11.795 20.642 ( -0.192 -10.948 4.385) 11.795 23.281 ( -11.429 10.073 -6.726) 16.653 23.281 ( -11.429 10.073 6.726) 16.653 23.628 ( -1.951 -3.234 -7.208) 8.138 23.628 ( -1.951 -3.234 7.208) 8.138 24.458 ( -11.788 -14.334 -9.240) 20.732 24.458 ( -11.788 -14.334 9.240) 20.732 27.990 ( 11.564 -4.218 -6.950) 14.135 27.990 ( 11.564 -4.218 6.950) 14.135 28.594 ( 2.980 -3.062 -2.411) 4.906 28.594 ( 2.980 -3.062 2.411) 4.906 31.473 ( 2.163 0.146 -3.324) 3.968 31.473 ( 2.163 0.146 3.324) 3.968 32.458 ( -2.772 4.113 -1.894) 5.309 32.458 ( -2.772 4.113 1.894) 5.309 33.153 ( 3.717 3.034 -2.004) 5.200 33.153 ( 3.717 3.034 2.004) 5.200 33.910 ( -1.736 -16.990 -4.035) 17.548 33.910 ( -1.736 -16.990 4.035) 17.548 ======================= Grid point 634 (188/200) ======================= q-point: ( 0.22 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.059 ( 3.333 12.363 -5.238) 13.834 4.059 ( 3.333 12.363 5.238) 13.834 4.534 ( 3.888 2.771 -17.207) 17.857 4.534 ( 3.888 2.771 17.207) 17.857 5.478 ( -10.505 2.818 -3.815) 11.526 5.478 ( -10.505 2.818 3.815) 11.526 6.263 ( -16.287 -1.767 -8.927) 18.657 6.263 ( -16.287 -1.767 8.927) 18.657 6.946 ( 14.468 11.406 -3.858) 18.823 6.946 ( 14.468 11.406 3.858) 18.823 7.996 ( -0.636 16.493 -3.536) 16.879 7.996 ( -0.636 16.493 3.536) 16.879 19.480 ( 6.879 -0.549 -7.602) 10.267 19.480 ( 6.879 -0.549 7.602) 10.267 20.173 ( -3.191 -5.909 -6.601) 9.417 20.173 ( -3.191 -5.909 6.601) 9.417 20.669 ( 3.729 -8.950 -6.190) 11.503 20.669 ( 3.729 -8.950 6.190) 11.503 22.896 ( -28.092 11.531 -10.261) 32.053 22.896 ( -28.092 11.531 10.261) 32.053 23.594 ( -1.276 -4.292 -5.482) 7.078 23.594 ( -1.276 -4.292 5.482) 7.078 24.247 ( -8.448 -19.724 -4.900) 22.009 24.247 ( -8.448 -19.724 4.900) 22.009 28.249 ( 13.871 -3.082 -5.460) 15.222 28.249 ( 13.871 -3.082 5.460) 15.222 28.668 ( 4.362 -2.929 -2.947) 6.024 28.668 ( 4.362 -2.929 2.947) 6.024 31.530 ( 3.526 1.863 -3.095) 5.048 31.530 ( 3.526 1.863 3.095) 5.048 32.390 ( -3.953 2.204 -2.870) 5.359 32.390 ( -3.953 2.204 2.870) 5.359 33.249 ( 5.981 1.893 -2.801) 6.870 33.249 ( 5.981 1.893 2.801) 6.870 33.860 ( -3.432 -14.817 -4.149) 15.765 33.860 ( -3.432 -14.817 4.149) 15.765 ======================= Grid point 636 (189/200) ======================= q-point: ( 0.33 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.147 ( 6.509 10.702 -4.354) 13.261 4.147 ( 6.509 10.702 4.354) 13.261 4.649 ( 5.609 -2.593 -20.913) 21.806 4.649 ( 5.609 -2.593 20.913) 21.806 5.266 ( -9.138 7.314 -4.701) 12.614 5.266 ( -9.138 7.314 4.701) 12.614 5.907 ( -19.354 -2.976 -14.664) 24.464 5.907 ( -19.354 -2.976 14.664) 24.464 7.256 ( 16.446 13.865 -5.142) 22.117 7.256 ( 16.446 13.865 5.142) 22.117 7.944 ( -4.885 15.044 -3.527) 16.206 7.944 ( -4.885 15.044 3.527) 16.206 19.632 ( 8.495 -1.085 -9.833) 13.040 19.632 ( 8.495 -1.085 9.833) 13.040 20.089 ( -5.339 -4.692 -7.666) 10.454 20.089 ( -5.339 -4.692 7.666) 10.454 20.809 ( 11.162 -6.237 -7.175) 14.662 20.809 ( 11.162 -6.237 7.175) 14.662 22.269 ( -34.650 6.980 -7.803) 36.197 22.269 ( -34.650 6.980 7.803) 36.197 23.579 ( -0.433 -4.231 -2.784) 5.083 23.579 ( -0.433 -4.231 2.784) 5.083 24.137 ( -3.522 -21.245 -2.786) 21.715 24.137 ( -3.522 -21.245 2.786) 21.715 28.485 ( 9.902 -2.296 -4.463) 11.101 28.485 ( 9.902 -2.296 4.463) 11.101 28.748 ( 3.610 -2.856 -3.087) 5.542 28.748 ( 3.610 -2.856 3.087) 5.542 31.599 ( 3.421 4.427 -2.521) 6.136 31.599 ( 3.421 4.427 2.521) 6.136 32.316 ( -3.495 -0.512 -2.688) 4.438 32.316 ( -3.495 -0.512 2.688) 4.438 33.375 ( 6.826 0.003 -3.383) 7.618 33.375 ( 6.826 0.003 3.383) 7.618 33.779 ( -4.871 -11.865 -4.081) 13.459 33.779 ( -4.871 -11.865 4.081) 13.459 ======================= Grid point 638 (190/200) ======================= q-point: ( 0.44 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 315 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.315 ( 9.703 7.997 -5.864) 13.874 4.315 ( 9.703 7.997 5.864) 13.874 4.624 ( -7.761 -1.345 -10.893) 13.442 4.624 ( -7.761 -1.345 10.893) 13.442 5.261 ( 9.482 4.639 -13.365) 17.031 5.261 ( 9.482 4.639 13.365) 17.031 5.546 ( -17.509 -0.523 -17.500) 24.761 5.546 ( -17.509 -0.523 17.500) 24.761 7.549 ( 12.940 14.644 -4.475) 20.048 7.549 ( 12.940 14.644 4.475) 20.048 7.809 ( -8.684 14.061 -3.749) 16.947 7.809 ( -8.684 14.061 3.749) 16.947 19.792 ( 7.305 -2.322 -8.888) 11.737 19.792 ( 7.305 -2.322 8.888) 11.737 19.975 ( -5.940 -2.757 -7.659) 10.077 19.975 ( -5.940 -2.757 7.659) 10.077 21.111 ( 19.897 -2.202 -6.029) 20.906 21.111 ( 19.897 -2.202 6.029) 20.906 21.634 ( -29.345 0.904 -4.753) 29.741 21.634 ( -29.345 0.904 4.753) 29.741 23.574 ( -0.077 -4.081 -0.841) 4.167 23.574 ( -0.077 -4.081 0.841) 4.167 24.096 ( -0.979 -21.579 -0.851) 21.618 24.096 ( -0.979 -21.579 0.851) 21.618 28.616 ( 3.519 -1.877 -2.002) 4.463 28.616 ( 3.519 -1.877 2.002) 4.463 28.798 ( 1.346 -2.884 -1.549) 3.539 28.798 ( 1.345 -2.884 1.549) 3.539 31.650 ( 1.482 6.730 -1.062) 6.972 31.650 ( 1.482 6.730 1.062) 6.972 32.266 ( -1.459 -2.892 -1.159) 3.440 32.266 ( -1.459 -2.892 1.159) 3.440 33.500 ( 5.359 -1.836 -2.909) 6.368 33.500 ( 5.359 -1.836 2.909) 6.368 33.681 ( -4.636 -9.377 -3.105) 10.912 33.681 ( -4.636 -9.377 3.105) 10.912 ======================= Grid point 648 (191/200) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.164 ( 0.000 7.163 -8.192) 10.882 4.164 ( 0.000 7.163 8.192) 10.882 4.727 ( 0.000 6.062 -4.943) 7.822 4.727 ( 0.000 6.062 4.943) 7.822 5.629 ( 0.000 -1.662 -5.026) 5.294 5.629 ( 0.000 -1.662 5.026) 5.294 6.546 ( 0.000 -5.000 -2.873) 5.766 6.546 ( 0.000 -5.000 2.873) 5.766 6.807 ( 0.000 7.626 -5.498) 9.401 6.807 ( 0.000 7.626 5.498) 9.401 8.284 ( 0.000 10.970 -2.767) 11.313 8.284 ( 0.000 10.970 2.767) 11.313 19.367 ( 0.000 2.306 -0.268) 2.321 19.367 ( 0.000 2.306 0.268) 2.321 20.114 ( 0.000 -3.598 -1.813) 4.029 20.114 ( 0.000 -3.598 1.813) 4.029 20.446 ( 0.000 -7.749 -2.894) 8.272 20.446 ( 0.000 -7.749 2.894) 8.272 23.423 ( 0.000 -1.420 -1.393) 1.989 23.423 ( 0.000 -1.420 1.393) 1.989 23.680 ( 0.000 3.685 -4.484) 5.804 23.680 ( 0.000 3.685 4.484) 5.804 24.442 ( 0.000 -4.801 -7.708) 9.081 24.442 ( 0.000 -4.801 7.708) 9.081 27.775 ( 0.000 -3.561 -4.290) 5.576 27.775 ( 0.000 -3.561 4.290) 5.576 28.519 ( 0.000 -1.385 -1.406) 1.973 28.519 ( 0.000 -1.385 1.406) 1.973 31.438 ( 0.000 -0.639 -1.792) 1.903 31.438 ( 0.000 -0.639 1.792) 1.903 32.542 ( 0.000 1.147 -1.400) 1.810 32.542 ( 0.000 1.147 1.400) 1.810 33.211 ( 0.000 5.804 -1.690) 6.045 33.211 ( 0.000 5.804 1.690) 6.045 33.615 ( 0.000 -12.658 -2.601) 12.923 33.615 ( 0.000 -12.658 2.601) 12.923 ======================= Grid point 650 (192/200) ======================= q-point: ( 0.11 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.201 ( 3.576 7.410 -7.575) 11.184 4.201 ( 3.576 7.410 7.575) 11.184 4.651 ( -6.495 4.112 -6.296) 9.936 4.651 ( -6.495 4.112 6.296) 9.936 5.622 ( -1.367 0.314 -3.571) 3.836 5.622 ( -1.367 0.314 3.571) 3.836 6.437 ( -11.014 -6.210 -4.093) 13.290 6.437 ( -11.014 -6.210 4.093) 13.290 6.906 ( 10.052 8.539 -3.302) 13.596 6.906 ( 10.052 8.539 3.302) 13.596 8.286 ( 0.018 10.532 -2.496) 10.824 8.286 ( 0.018 10.532 2.496) 10.824 19.402 ( 3.587 2.192 -2.892) 5.102 19.402 ( 3.587 2.192 2.892) 5.102 20.109 ( -0.694 -3.533 -2.472) 4.368 20.109 ( -0.694 -3.533 2.472) 4.368 20.453 ( 1.139 -7.240 -4.054) 8.375 20.453 ( 1.139 -7.240 4.054) 8.375 23.395 ( -4.093 0.707 -2.859) 5.042 23.395 ( -4.093 0.707 2.859) 5.042 23.637 ( -4.758 4.551 -7.608) 10.061 23.637 ( -4.758 4.551 7.608) 10.061 24.219 ( -19.774 -9.129 -5.308) 22.417 24.219 ( -19.774 -9.129 5.308) 22.417 27.913 ( 12.813 -2.950 -3.451) 13.593 27.913 ( 12.813 -2.950 3.451) 13.593 28.549 ( 2.927 -1.449 -1.548) 3.614 28.549 ( 2.927 -1.449 1.548) 3.614 31.470 ( 3.196 -0.277 -1.821) 3.689 31.470 ( 3.196 -0.277 1.821) 3.689 32.502 ( -3.958 0.729 -1.844) 4.427 32.502 ( -3.958 0.729 1.844) 4.427 33.240 ( 2.852 5.389 -1.578) 6.298 33.240 ( 2.852 5.389 1.578) 6.298 33.614 ( -0.198 -12.011 -2.802) 12.335 33.614 ( -0.198 -12.011 2.802) 12.335 ======================= Grid point 652 (193/200) ======================= q-point: ( 0.22 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.280 ( 3.771 8.862 -5.213) 10.951 4.280 ( 3.771 8.862 5.213) 10.951 4.550 ( -2.128 -0.848 -11.293) 11.523 4.550 ( -2.128 -0.848 11.293) 11.523 5.554 ( -5.858 4.159 -0.903) 7.241 5.554 ( -5.858 4.159 0.903) 7.241 6.149 ( -17.773 -6.960 -6.620) 20.202 6.149 ( -17.773 -6.960 6.620) 20.202 7.168 ( 16.098 8.600 -2.036) 18.364 7.168 ( 16.098 8.600 2.036) 18.364 8.270 ( -2.071 9.663 -2.064) 10.095 8.270 ( -2.071 9.663 2.064) 10.095 19.500 ( 6.379 1.825 -5.254) 8.463 19.500 ( 6.379 1.825 5.254) 8.463 20.080 ( -2.397 -3.168 -3.225) 5.117 20.080 ( -2.397 -3.168 3.225) 5.117 20.514 ( 5.848 -5.939 -5.191) 9.819 20.514 ( 5.848 -5.939 5.191) 9.819 23.106 ( -29.458 8.293 -8.347) 31.721 23.106 ( -29.458 8.293 8.347) 31.721 23.538 ( -2.953 -0.134 -4.172) 5.114 23.538 ( -2.953 -0.134 4.172) 5.114 23.894 ( -10.266 -14.987 -7.472) 19.642 23.894 ( -10.266 -14.987 7.472) 19.642 28.197 ( 15.078 -1.873 -2.639) 15.421 28.197 ( 15.078 -1.873 2.639) 15.421 28.620 ( 4.147 -1.688 -1.880) 4.856 28.620 ( 4.147 -1.688 1.880) 4.856 31.557 ( 5.621 0.859 -1.926) 6.003 31.557 ( 5.621 0.859 1.926) 6.003 32.401 ( -6.243 -0.553 -2.345) 6.692 32.401 ( -6.243 -0.553 2.345) 6.692 33.311 ( 4.215 4.128 -1.531) 6.095 33.311 ( 4.215 4.128 1.531) 6.095 33.606 ( -0.710 -10.173 -3.083) 10.653 33.606 ( -0.710 -10.173 3.083) 10.653 ======================= Grid point 654 (194/200) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.341 ( 3.681 8.101 -4.528) 9.984 4.341 ( 3.681 8.101 4.528) 9.984 4.583 ( 3.699 -3.645 -13.829) 14.772 4.583 ( 3.699 -3.645 13.829) 14.772 5.414 ( -7.458 7.009 -3.707) 10.885 5.414 ( -7.458 7.009 3.707) 10.885 5.796 ( -17.755 -6.849 -11.433) 22.201 5.796 ( -17.755 -6.849 11.433) 22.201 7.492 ( 16.793 8.484 -2.068) 18.928 7.492 ( 16.793 8.484 2.068) 18.928 8.195 ( -5.870 8.887 -1.873) 10.814 8.195 ( -5.870 8.887 1.873) 10.814 19.638 ( 7.621 1.204 -6.284) 9.951 19.638 ( 7.621 1.204 6.284) 9.951 20.018 ( -3.884 -2.336 -3.657) 5.823 20.018 ( -3.884 -2.336 3.657) 5.823 20.700 ( 13.943 -4.173 -5.055) 15.407 20.700 ( 13.943 -4.173 5.055) 15.407 22.393 ( -40.138 4.804 -6.181) 40.895 22.393 ( -40.138 4.804 6.181) 40.895 23.515 ( -0.243 -1.462 -0.476) 1.556 23.515 ( -0.243 -1.462 0.476) 1.556 23.779 ( -3.361 -13.568 -4.249) 14.610 23.779 ( -3.361 -13.568 4.249) 14.610 28.454 ( 10.931 -0.805 -2.436) 11.228 28.454 ( 10.931 -0.805 2.436) 11.228 28.694 ( 3.094 -2.247 -2.109) 4.367 28.694 ( 3.094 -2.247 2.109) 4.367 31.677 ( 6.515 3.038 -1.977) 7.455 31.677 ( 6.515 3.038 1.977) 7.455 32.273 ( -6.733 -2.880 -2.380) 7.700 32.273 ( -6.733 -2.880 2.380) 7.700 33.395 ( 4.346 2.040 -1.794) 5.126 33.395 ( 4.346 2.040 1.794) 5.126 33.584 ( -1.609 -7.468 -3.044) 8.224 33.584 ( -1.609 -7.468 3.044) 8.224 ======================= Grid point 656 (195/200) ======================= q-point: ( 0.44 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 316 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.451 ( 7.152 5.107 -4.863) 10.044 4.451 ( 7.152 5.107 4.863) 10.044 4.600 ( -3.266 -1.149 -7.441) 8.207 4.600 ( -3.266 -1.149 7.441) 8.207 5.340 ( 1.621 3.578 -4.722) 6.142 5.340 ( 1.621 3.578 4.722) 6.142 5.499 ( -12.215 -3.499 -12.091) 17.539 5.499 ( -12.215 -3.499 12.091) 17.539 7.794 ( 13.962 8.719 -2.002) 16.582 7.794 ( 13.962 8.719 2.002) 16.582 8.041 ( -9.950 8.198 -1.875) 13.028 8.041 ( -9.950 8.198 1.875) 13.028 19.778 ( 6.184 0.701 -4.931) 7.941 19.778 ( 6.184 0.701 4.931) 7.941 19.933 ( -4.579 -1.692 -3.679) 6.112 19.933 ( -4.579 -1.692 3.679) 6.112 21.069 ( 24.559 -1.702 -3.199) 24.825 21.069 ( 24.559 -1.702 3.199) 24.825 21.654 ( -34.997 0.882 -2.471) 35.096 21.654 ( -34.997 0.882 2.471) 35.096 23.515 ( 0.062 -1.218 -0.216) 1.239 23.515 ( 0.062 -1.218 0.216) 1.239 23.739 ( -1.013 -13.298 -1.309) 13.401 23.739 ( -1.013 -13.298 1.309) 13.401 28.604 ( 4.244 0.496 -1.442) 4.510 28.604 ( 4.244 0.496 1.442) 4.510 28.731 ( 0.772 -3.339 -1.347) 3.682 28.731 ( 0.772 -3.339 1.347) 3.682 31.786 ( 3.893 6.641 -1.188) 7.789 31.786 ( 3.893 6.641 1.188) 7.789 32.161 ( -3.921 -6.568 -1.341) 7.765 32.161 ( -3.921 -6.568 1.341) 7.765 33.473 ( 3.508 -0.553 -2.040) 4.095 33.473 ( 3.508 -0.553 2.040) 4.095 33.543 ( -2.490 -4.496 -2.508) 5.719 33.543 ( -2.490 -4.496 2.508) 5.719 ======================= Grid point 666 (196/200) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.239 ( 0.000 0.000 0.000) 0.000 4.239 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 6.474 ( 0.000 0.000 0.000) 0.000 6.474 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 8.397 ( 0.000 0.000 0.000) 0.000 8.397 ( 0.000 0.000 0.000) 0.000 19.397 ( 0.000 0.000 -0.000) 0.000 19.397 ( 0.000 0.000 0.000) 0.000 20.076 ( 0.000 0.000 0.000) 0.000 20.076 ( 0.000 0.000 0.000) 0.000 20.361 ( 0.000 0.000 0.000) 0.000 20.361 ( 0.000 0.000 0.000) 0.000 23.400 ( 0.000 0.000 0.000) 0.000 23.400 ( 0.000 0.000 0.000) 0.000 23.725 ( 0.000 0.000 0.000) 0.000 23.725 ( 0.000 0.000 0.000) 0.000 24.394 ( 0.000 0.000 -0.000) 0.000 24.394 ( 0.000 0.000 0.000) 0.000 27.737 ( 0.000 0.000 0.000) 0.000 27.737 ( 0.000 0.000 0.000) 0.000 28.505 ( 0.000 0.000 0.000) 0.000 28.505 ( 0.000 0.000 0.000) 0.000 31.431 ( 0.000 0.000 0.000) 0.000 31.431 ( 0.000 0.000 0.000) 0.000 32.551 ( 0.000 0.000 0.000) 0.000 32.551 ( 0.000 0.000 0.000) 0.000 33.313 ( 0.000 -0.000 0.000) 0.000 33.313 ( 0.000 -0.000 0.000) 0.000 33.445 ( 0.000 0.000 0.000) 0.000 33.445 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 670 (197/200) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.279 ( 4.019 0.000 0.000) 4.019 4.279 ( 4.019 0.000 0.000) 4.019 4.692 ( -8.633 0.000 0.000) 8.633 4.692 ( -8.633 0.000 0.000) 8.633 5.630 ( 0.714 0.000 0.000) 0.714 5.630 ( 0.714 0.000 0.000) 0.714 6.360 ( -11.431 0.000 -0.000) 11.431 6.360 ( -11.431 0.000 0.000) 11.431 7.000 ( 9.992 0.000 0.000) 9.992 7.000 ( 9.992 0.000 0.000) 9.992 8.395 ( -0.369 0.000 0.000) 0.369 8.395 ( -0.369 0.000 0.000) 0.369 19.431 ( 3.435 0.000 -0.000) 3.435 19.431 ( 3.435 0.000 0.000) 3.435 20.072 ( -0.604 0.000 0.000) 0.604 20.072 ( -0.604 0.000 0.000) 0.604 20.373 ( 1.696 0.000 0.000) 1.696 20.373 ( 1.696 0.000 0.000) 1.696 23.388 ( -1.809 0.000 0.000) 1.809 23.388 ( -1.809 0.000 0.000) 1.809 23.710 ( -1.564 0.000 0.000) 1.564 23.710 ( -1.564 0.000 0.000) 1.564 24.114 ( -26.574 0.000 -0.000) 26.574 24.114 ( -26.574 0.000 0.000) 26.574 27.881 ( 13.397 0.000 0.000) 13.397 27.881 ( 13.397 0.000 0.000) 13.397 28.534 ( 2.836 0.000 0.000) 2.836 28.534 ( 2.836 0.000 0.000) 2.836 31.466 ( 3.597 0.000 0.000) 3.597 31.466 ( 3.597 0.000 0.000) 3.597 32.507 ( -4.423 0.000 0.000) 4.423 32.507 ( -4.423 0.000 0.000) 4.423 33.338 ( 2.394 -0.000 0.000) 2.394 33.338 ( 2.394 -0.000 0.000) 2.394 33.450 ( 0.502 0.000 0.000) 0.502 33.450 ( 0.502 0.000 0.000) 0.502 ======================= Grid point 674 (198/200) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.386 ( 6.721 0.000 0.000) 6.721 4.386 ( 6.721 0.000 0.000) 6.721 4.527 ( -7.127 0.000 0.000) 7.127 4.527 ( -7.127 0.000 0.000) 7.127 5.608 ( -3.245 0.000 0.000) 3.245 5.608 ( -3.245 0.000 0.000) 3.245 6.062 ( -18.482 -0.000 -0.000) 18.482 6.062 ( -18.482 0.000 0.000) 18.482 7.259 ( 15.910 0.000 0.000) 15.910 7.259 ( 15.910 0.000 0.000) 15.910 8.371 ( -2.521 0.000 0.000) 2.521 8.371 ( -2.521 0.000 0.000) 2.521 19.524 ( 6.058 0.000 -0.000) 6.058 19.524 ( 6.058 0.000 0.000) 6.058 20.047 ( -2.046 0.000 0.000) 2.046 20.047 ( -2.046 0.000 0.000) 2.046 20.449 ( 6.724 0.000 0.000) 6.724 20.449 ( 6.724 0.000 0.000) 6.724 23.195 ( -27.406 0.000 -0.000) 27.406 23.195 ( -27.406 0.000 -0.000) 27.406 23.604 ( -14.517 -0.000 -0.000) 14.517 23.604 ( -14.517 0.000 -0.000) 14.517 23.669 ( -2.539 -0.000 0.000) 2.539 23.669 ( -2.539 0.000 0.000) 2.539 28.178 ( 15.696 0.000 -0.000) 15.696 28.178 ( 15.696 0.000 0.000) 15.696 28.603 ( 3.907 0.000 0.000) 3.907 28.603 ( 3.907 0.000 0.000) 3.907 31.565 ( 6.517 0.000 0.000) 6.517 31.565 ( 6.517 0.000 0.000) 6.517 32.392 ( -7.233 0.000 0.000) 7.233 32.392 ( -7.233 0.000 0.000) 7.233 33.393 ( 3.051 -0.000 0.000) 3.051 33.393 ( 3.051 0.000 0.000) 3.051 33.463 ( 0.809 0.000 0.000) 0.809 33.463 ( 0.809 0.000 0.000) 0.809 ======================= Grid point 678 (199/200) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.452 ( -0.188 -0.000 -0.000) 0.188 4.452 ( -0.188 0.000 0.000) 0.188 4.518 ( 6.167 0.000 -0.000) 6.167 4.518 ( 6.167 0.000 0.000) 6.167 5.514 ( -6.001 -0.000 0.000) 6.001 5.514 ( -6.001 0.000 0.000) 6.001 5.694 ( -18.157 -0.000 -0.000) 18.157 5.694 ( -18.157 0.000 -0.000) 18.157 7.581 ( 16.758 0.000 0.000) 16.758 7.581 ( 16.758 0.000 0.000) 16.758 8.288 ( -6.231 0.000 0.000) 6.231 8.288 ( -6.231 0.000 0.000) 6.231 19.655 ( 7.252 0.000 -0.000) 7.252 19.655 ( 7.252 0.000 0.000) 7.252 19.994 ( -3.459 0.000 0.000) 3.459 19.994 ( -3.459 0.000 0.000) 3.459 20.654 ( 15.116 0.000 0.000) 15.116 20.654 ( 15.116 0.000 0.000) 15.116 22.446 ( -42.681 0.000 -0.000) 42.681 22.446 ( -42.681 0.000 -0.000) 42.681 23.519 ( -0.209 -0.000 0.000) 0.209 23.519 ( -0.209 0.000 0.000) 0.209 23.617 ( -2.692 -0.000 0.000) 2.692 23.617 ( -2.692 0.000 0.000) 2.692 28.447 ( 11.682 0.000 -0.000) 11.682 28.447 ( 11.682 0.000 0.000) 11.682 28.669 ( 2.523 -0.000 0.000) 2.523 28.669 ( 2.523 0.000 0.000) 2.523 31.711 ( 8.388 0.000 0.000) 8.388 31.711 ( 8.388 0.000 0.000) 8.388 32.236 ( -8.674 0.000 0.000) 8.674 32.236 ( -8.674 0.000 0.000) 8.674 33.446 ( 2.306 -0.000 0.000) 2.306 33.446 ( 2.306 0.000 0.000) 2.306 33.479 ( 0.718 -0.000 0.000) 0.718 33.479 ( 0.718 0.000 0.000) 0.718 ======================= Grid point 682 (200/200) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.510 ( 5.122 -0.000 0.000) 5.122 4.510 ( 5.122 0.000 0.000) 5.122 4.582 ( -0.555 0.000 -0.000) 0.555 4.582 ( -0.555 0.000 0.000) 0.555 5.407 ( -3.846 -0.000 0.000) 3.846 5.407 ( -3.846 0.000 0.000) 3.846 5.429 ( -7.608 -0.000 -0.000) 7.608 5.429 ( -7.608 0.000 -0.000) 7.608 7.885 ( 14.393 0.000 0.000) 14.393 7.885 ( 14.393 0.000 0.000) 14.393 8.127 ( -10.509 0.000 0.000) 10.509 8.127 ( -10.509 0.000 0.000) 10.509 19.794 ( 6.821 0.000 -0.000) 6.821 19.794 ( 6.821 0.000 0.000) 6.821 19.911 ( -5.213 0.000 0.000) 5.213 19.911 ( -5.213 0.000 0.000) 5.213 21.050 ( 26.203 0.000 0.000) 26.203 21.050 ( 26.203 0.000 0.000) 26.203 21.664 ( -37.001 0.000 0.000) 37.001 21.664 ( -37.001 0.000 -0.000) 37.001 23.534 ( 1.402 -0.000 0.000) 1.402 23.534 ( 1.402 0.000 0.000) 1.402 23.569 ( -2.214 -0.000 0.000) 2.214 23.569 ( -2.214 0.000 0.000) 2.214 28.619 ( 6.103 -0.000 0.000) 6.103 28.619 ( 6.103 0.000 0.000) 6.103 28.686 ( -1.037 -0.000 0.000) 1.037 28.686 ( -1.037 0.000 0.000) 1.037 31.882 ( 9.233 0.000 0.000) 9.233 31.882 ( 9.233 0.000 0.000) 9.233 32.062 ( -9.284 0.000 0.000) 9.284 32.062 ( -9.284 0.000 0.000) 9.284 33.479 ( 1.039 0.000 0.000) 1.039 33.479 ( 1.039 0.000 0.000) 1.039 33.488 ( 0.086 -0.000 0.000) 0.086 33.488 ( 0.086 0.000 0.000) 0.086 =================== 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 3/36288 10.0 1028.935 942.179 1602.793 0.000 0.000 0.000 3/36288 20.0 1283.244 939.645 1237.891 0.000 0.000 0.000 3/36288 30.0 518.054 447.101 496.127 0.000 0.000 0.000 3/36288 40.0 256.896 237.080 247.699 0.000 0.000 0.000 3/36288 50.0 159.181 152.192 154.098 0.000 0.000 0.000 3/36288 60.0 114.569 112.844 111.557 0.000 0.000 0.000 3/36288 70.0 90.982 91.858 89.133 0.000 0.000 -0.000 3/36288 80.0 77.001 79.207 75.834 0.000 0.000 -0.000 3/36288 90.0 67.864 70.726 67.111 0.000 0.000 -0.000 3/36288 100.0 61.353 64.490 60.859 0.000 0.000 -0.000 3/36288 110.0 56.349 59.537 56.022 0.000 0.000 -0.000 3/36288 120.0 52.252 55.356 52.034 0.000 0.000 -0.000 3/36288 130.0 48.725 51.667 48.581 0.000 0.000 -0.000 3/36288 140.0 45.577 48.315 45.482 0.000 0.000 -0.000 3/36288 150.0 42.698 45.218 42.637 0.000 0.000 -0.000 3/36288 160.0 40.026 42.332 39.987 0.000 0.000 -0.000 3/36288 170.0 37.527 39.635 37.504 0.000 0.000 -0.000 3/36288 180.0 35.185 37.116 35.173 0.000 0.000 -0.000 3/36288 190.0 32.991 34.769 32.987 0.000 0.000 -0.000 3/36288 200.0 30.942 32.588 30.944 0.000 0.000 -0.000 3/36288 210.0 29.034 30.569 29.040 0.000 0.000 -0.000 3/36288 220.0 27.264 28.705 27.273 0.000 0.000 -0.000 3/36288 230.0 25.627 26.988 25.637 0.000 0.000 -0.000 3/36288 240.0 24.117 25.410 24.128 0.000 0.000 -0.000 3/36288 250.0 22.727 23.960 22.738 0.000 0.000 -0.000 3/36288 260.0 21.449 22.630 21.459 0.000 0.000 -0.000 3/36288 270.0 20.275 21.410 20.285 0.000 0.000 -0.000 3/36288 280.0 19.197 20.291 19.205 0.000 0.000 -0.000 3/36288 290.0 18.207 19.263 18.214 0.000 0.000 -0.000 3/36288 300.0 17.297 18.319 17.303 0.000 0.000 -0.000 3/36288 310.0 16.461 17.451 16.465 0.000 0.000 -0.000 3/36288 320.0 15.691 16.652 15.693 0.000 0.000 -0.000 3/36288 330.0 14.981 15.915 14.981 0.000 0.000 -0.000 3/36288 340.0 14.326 15.234 14.324 0.000 0.000 -0.000 3/36288 350.0 13.720 14.604 13.717 0.000 0.000 -0.000 3/36288 360.0 13.159 14.020 13.155 0.000 0.000 -0.000 3/36288 370.0 12.639 13.479 12.633 0.000 0.000 -0.000 3/36288 380.0 12.156 12.975 12.149 0.000 0.000 -0.000 3/36288 390.0 11.706 12.506 11.698 0.000 0.000 -0.000 3/36288 400.0 11.287 12.069 11.277 0.000 0.000 -0.000 3/36288 410.0 10.895 11.660 10.885 0.000 0.000 -0.000 3/36288 420.0 10.529 11.277 10.518 0.000 0.000 -0.000 3/36288 430.0 10.186 10.918 10.174 0.000 0.000 -0.000 3/36288 440.0 9.865 10.582 9.852 0.000 0.000 -0.000 3/36288 450.0 9.562 10.265 9.549 0.000 0.000 -0.000 3/36288 460.0 9.278 9.966 9.263 0.000 0.000 -0.000 3/36288 470.0 9.009 9.685 8.995 0.000 0.000 -0.000 3/36288 480.0 8.756 9.419 8.741 0.000 0.000 -0.000 3/36288 490.0 8.517 9.167 8.501 0.000 0.000 -0.000 3/36288 500.0 8.290 8.929 8.274 0.000 0.000 -0.000 3/36288 510.0 8.076 8.703 8.059 0.000 0.000 -0.000 3/36288 520.0 7.872 8.489 7.856 0.000 0.000 -0.000 3/36288 530.0 7.679 8.285 7.662 0.000 0.000 -0.000 3/36288 540.0 7.495 8.091 7.478 0.000 0.000 -0.000 3/36288 550.0 7.319 7.906 7.302 0.000 0.000 -0.000 3/36288 560.0 7.152 7.729 7.135 0.000 0.000 -0.000 3/36288 570.0 6.993 7.561 6.976 0.000 0.000 -0.000 3/36288 580.0 6.841 7.400 6.823 0.000 0.000 -0.000 3/36288 590.0 6.695 7.246 6.678 0.000 0.000 -0.000 3/36288 600.0 6.556 7.098 6.538 0.000 0.000 -0.000 3/36288 610.0 6.422 6.957 6.405 0.000 0.000 -0.000 3/36288 620.0 6.295 6.821 6.277 0.000 0.000 -0.000 3/36288 630.0 6.172 6.691 6.154 0.000 0.000 -0.000 3/36288 640.0 6.054 6.566 6.036 0.000 0.000 -0.000 3/36288 650.0 5.941 6.445 5.923 0.000 0.000 -0.000 3/36288 660.0 5.832 6.329 5.814 0.000 0.000 -0.000 3/36288 670.0 5.727 6.218 5.709 0.000 0.000 -0.000 3/36288 680.0 5.626 6.110 5.608 0.000 0.000 -0.000 3/36288 690.0 5.528 6.006 5.511 0.000 0.000 -0.000 3/36288 700.0 5.434 5.906 5.417 0.000 0.000 -0.000 3/36288 710.0 5.343 5.810 5.327 0.000 0.000 -0.000 3/36288 720.0 5.256 5.716 5.239 0.000 0.000 -0.000 3/36288 730.0 5.171 5.626 5.154 0.000 0.000 -0.000 3/36288 740.0 5.089 5.538 5.073 0.000 0.000 -0.000 3/36288 750.0 5.010 5.454 4.994 0.000 0.000 -0.000 3/36288 760.0 4.933 5.372 4.917 0.000 0.000 -0.000 3/36288 770.0 4.859 5.292 4.843 0.000 0.000 -0.000 3/36288 780.0 4.787 5.215 4.771 0.000 0.000 -0.000 3/36288 790.0 4.717 5.141 4.701 0.000 0.000 -0.000 3/36288 800.0 4.650 5.068 4.634 0.000 0.000 -0.000 3/36288 810.0 4.584 4.998 4.568 0.000 0.000 -0.000 3/36288 820.0 4.520 4.929 4.504 0.000 0.000 -0.000 3/36288 830.0 4.458 4.863 4.443 0.000 0.000 -0.000 3/36288 840.0 4.398 4.798 4.383 0.000 0.000 -0.000 3/36288 850.0 4.339 4.735 4.324 0.000 0.000 -0.000 3/36288 860.0 4.282 4.674 4.267 0.000 0.000 -0.000 3/36288 870.0 4.227 4.615 4.212 0.000 0.000 -0.000 3/36288 880.0 4.173 4.557 4.158 0.000 0.000 -0.000 3/36288 890.0 4.120 4.500 4.106 0.000 0.000 -0.000 3/36288 900.0 4.069 4.445 4.055 0.000 0.000 -0.000 3/36288 910.0 4.019 4.392 4.005 0.000 0.000 -0.000 3/36288 920.0 3.971 4.339 3.956 0.000 0.000 -0.000 3/36288 930.0 3.923 4.288 3.909 0.000 0.000 -0.000 3/36288 940.0 3.877 4.238 3.863 0.000 0.000 -0.000 3/36288 950.0 3.832 4.190 3.818 0.000 0.000 -0.000 3/36288 960.0 3.788 4.142 3.774 0.000 0.000 -0.000 3/36288 970.0 3.745 4.096 3.731 0.000 0.000 -0.000 3/36288 980.0 3.703 4.051 3.689 0.000 0.000 -0.000 3/36288 990.0 3.662 4.006 3.648 0.000 0.000 -0.000 3/36288 1000.0 3.622 3.963 3.608 0.000 0.000 -0.000 3/36288 Thermal conductivity related properties were written into "kappa-m9148.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:36:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|