----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:05:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.466900525266450 2.578966220705860 3.730390649999995 b -4.466900525266441 2.578966220705860 3.730390649999995 c 0.000000000000004 -5.157932441411728 3.730390649999995 Atomic positions (fractional): *1 Na 0.25000000000000 0.25000000000000 0.25000000000000 22.990 2 Na 0.75000000000000 0.75000000000000 0.75000000000000 22.990 *3 Na 0.62486609737062 0.87513390262938 0.25000000000000 22.990 4 Na 0.87513390262938 0.25000000000000 0.62486609737062 22.990 5 Na 0.25000000000000 0.62486609737062 0.87513390262938 22.990 6 Na 0.12486609737062 0.75000000000000 0.37513390262938 22.990 7 Na 0.75000000000000 0.37513390262938 0.12486609737062 22.990 8 Na 0.37513390262938 0.12486609737062 0.75000000000000 22.990 *9 H 0.55450576510213 0.24045403406958 0.44060115747163 1.008 10 H 0.24045403406958 0.44060115747164 0.55450576510213 1.008 11 H 0.44060115747164 0.55450576510213 0.24045403406958 1.008 12 H 0.05450576510213 0.94060115747164 0.74045403406958 1.008 13 H 0.94060115747164 0.74045403406958 0.05450576510213 1.008 14 H 0.74045403406958 0.05450576510213 0.94060115747164 1.008 15 H 0.44549423489788 0.75954596593042 0.55939884252836 1.008 16 H 0.75954596593042 0.55939884252836 0.44549423489787 1.008 17 H 0.55939884252837 0.44549423489787 0.75954596593042 1.008 18 H 0.94549423489788 0.05939884252837 0.25954596593042 1.008 19 H 0.05939884252837 0.25954596593042 0.94549423489787 1.008 20 H 0.25954596593042 0.94549423489788 0.05939884252837 1.008 *21 Ru 0.50000000000000 0.50000000000000 0.50000000000000 101.070 22 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.933801050532891 0.000000000000000 0.000000000000000 b -4.466900525266445 7.736898662117588 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191171949999998 Atomic positions (fractional): *1 Na 0.33333333333333 0.66666666666667 0.91666666666667 22.990 > 1 2 Na 0.33333333333333 0.66666666666667 0.41666666666667 22.990 > 2 *3 Na 0.37486609737062 0.00000000000000 0.25000000000000 22.990 > 3 4 Na 0.62513390262938 0.62513390262938 0.25000000000000 22.990 > 4 5 Na 0.00000000000000 0.37486609737062 0.25000000000000 22.990 > 5 6 Na 0.04153276403729 0.70819943070395 0.08333333333333 22.990 > 6 7 Na 0.66666666666667 0.95846723596271 0.08333333333333 22.990 > 7 8 Na 0.29180056929605 0.33333333333333 0.08333333333333 22.990 > 8 9 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 2 11 Na 0.04153276403729 0.33333333333333 0.58333333333333 22.990 > 3 12 Na 0.29180056929605 0.95846723596271 0.58333333333333 22.990 > 4 13 Na 0.66666666666667 0.70819943070395 0.58333333333333 22.990 > 5 14 Na 0.70819943070395 0.04153276403729 0.41666666666667 22.990 > 6 15 Na 0.33333333333333 0.29180056929605 0.41666666666667 22.990 > 7 16 Na 0.95846723596271 0.66666666666667 0.41666666666667 22.990 > 8 17 Na 0.66666666666667 0.33333333333333 0.58333333333333 22.990 > 1 18 Na 0.66666666666667 0.33333333333333 0.08333333333333 22.990 > 2 19 Na 0.70819943070395 0.66666666666667 0.91666666666667 22.990 > 3 20 Na 0.95846723596271 0.29180056929605 0.91666666666667 22.990 > 4 21 Na 0.33333333333333 0.04153276403729 0.91666666666667 22.990 > 5 22 Na 0.37486609737062 0.37486609737062 0.75000000000000 22.990 > 6 23 Na 0.00000000000000 0.62513390262938 0.75000000000000 22.990 > 7 24 Na 0.62513390262938 0.00000000000000 0.75000000000000 22.990 > 8 *25 H 0.47598544622101 0.63791916140948 0.07852031888111 1.008 > 9 26 H 0.16193371518847 0.52401455377899 0.07852031888111 1.008 > 10 27 H 0.36208083859052 0.83806628481153 0.07852031888111 1.008 > 11 28 H 0.80931877955434 0.50473295147820 0.24518698554778 1.008 > 12 29 H 0.69541417192385 0.19068122044566 0.24518698554778 1.008 > 13 30 H 0.49526704852180 0.30458582807615 0.24518698554778 1.008 > 14 31 H 0.19068122044566 0.69541417192385 0.25481301445222 1.008 > 15 32 H 0.50473295147820 0.80931877955434 0.25481301445222 1.008 > 16 33 H 0.30458582807615 0.49526704852180 0.25481301445222 1.008 > 17 34 H 0.85734788711232 0.82860038185513 0.08814634778555 1.008 > 18 35 H 0.97125249474281 0.14265211288768 0.08814634778555 1.008 > 19 36 H 0.17139961814487 0.02874750525719 0.08814634778555 1.008 > 20 37 H 0.14265211288768 0.97125249474281 0.41185365221445 1.008 > 9 38 H 0.82860038185513 0.85734788711232 0.41185365221445 1.008 > 10 39 H 0.02874750525719 0.17139961814487 0.41185365221445 1.008 > 11 40 H 0.47598544622101 0.83806628481153 0.57852031888111 1.008 > 12 41 H 0.36208083859052 0.52401455377899 0.57852031888111 1.008 > 13 42 H 0.16193371518847 0.63791916140948 0.57852031888111 1.008 > 14 43 H 0.85734788711232 0.02874750525719 0.58814634778555 1.008 > 15 44 H 0.17139961814487 0.14265211288768 0.58814634778555 1.008 > 16 45 H 0.97125249474281 0.82860038185513 0.58814634778555 1.008 > 17 46 H 0.52401455377899 0.16193371518847 0.42147968111889 1.008 > 18 47 H 0.63791916140948 0.47598544622101 0.42147968111889 1.008 > 19 48 H 0.83806628481153 0.36208083859052 0.42147968111889 1.008 > 20 49 H 0.80931877955434 0.30458582807615 0.74518698554778 1.008 > 9 50 H 0.49526704852180 0.19068122044565 0.74518698554778 1.008 > 10 51 H 0.69541417192385 0.50473295147820 0.74518698554778 1.008 > 11 52 H 0.14265211288768 0.17139961814487 0.91185365221445 1.008 > 12 53 H 0.02874750525719 0.85734788711232 0.91185365221445 1.008 > 13 54 H 0.82860038185513 0.97125249474281 0.91185365221445 1.008 > 14 55 H 0.52401455377899 0.36208083859052 0.92147968111889 1.008 > 15 56 H 0.83806628481153 0.47598544622101 0.92147968111889 1.008 > 16 57 H 0.63791916140948 0.16193371518847 0.92147968111889 1.008 > 17 58 H 0.19068122044565 0.49526704852180 0.75481301445222 1.008 > 18 59 H 0.30458582807615 0.80931877955434 0.75481301445222 1.008 > 19 60 H 0.50473295147820 0.69541417192385 0.75481301445222 1.008 > 20 *61 Ru 0.33333333333333 0.66666666666667 0.16666666666667 101.070 > 21 62 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 22 63 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 21 64 Ru 0.66666666666667 0.33333333333333 0.33333333333333 101.070 > 22 65 Ru 0.66666666666667 0.33333333333333 0.83333333333333 101.070 > 21 66 Ru 0.33333333333333 0.66666666666667 0.66666666666667 101.070 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.933801050532891 0.000000000000000 0.000000000000000 b -4.466900525266445 7.736898662117588 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191171949999998 Atomic positions (fractional): *1 Na 0.33333333333333 0.66666666666667 0.91666666666667 22.990 > 1 2 Na 0.33333333333333 0.66666666666667 0.41666666666667 22.990 > 2 *3 Na 0.37486609737062 0.00000000000000 0.25000000000000 22.990 > 3 4 Na 0.62513390262938 0.62513390262938 0.25000000000000 22.990 > 4 5 Na 0.00000000000000 0.37486609737062 0.25000000000000 22.990 > 5 6 Na 0.04153276403729 0.70819943070395 0.08333333333333 22.990 > 6 7 Na 0.66666666666667 0.95846723596271 0.08333333333333 22.990 > 7 8 Na 0.29180056929605 0.33333333333333 0.08333333333333 22.990 > 8 9 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 2 11 Na 0.04153276403729 0.33333333333333 0.58333333333333 22.990 > 3 12 Na 0.29180056929605 0.95846723596271 0.58333333333333 22.990 > 4 13 Na 0.66666666666667 0.70819943070395 0.58333333333333 22.990 > 5 14 Na 0.70819943070395 0.04153276403729 0.41666666666667 22.990 > 6 15 Na 0.33333333333333 0.29180056929605 0.41666666666667 22.990 > 7 16 Na 0.95846723596271 0.66666666666667 0.41666666666667 22.990 > 8 17 Na 0.66666666666667 0.33333333333333 0.58333333333333 22.990 > 1 18 Na 0.66666666666667 0.33333333333333 0.08333333333333 22.990 > 2 19 Na 0.70819943070395 0.66666666666667 0.91666666666667 22.990 > 3 20 Na 0.95846723596271 0.29180056929605 0.91666666666667 22.990 > 4 21 Na 0.33333333333333 0.04153276403729 0.91666666666667 22.990 > 5 22 Na 0.37486609737062 0.37486609737062 0.75000000000000 22.990 > 6 23 Na 0.00000000000000 0.62513390262938 0.75000000000000 22.990 > 7 24 Na 0.62513390262938 0.00000000000000 0.75000000000000 22.990 > 8 *25 H 0.47598544622101 0.63791916140948 0.07852031888111 1.008 > 9 26 H 0.16193371518847 0.52401455377899 0.07852031888111 1.008 > 10 27 H 0.36208083859052 0.83806628481153 0.07852031888111 1.008 > 11 28 H 0.80931877955434 0.50473295147820 0.24518698554778 1.008 > 12 29 H 0.69541417192385 0.19068122044566 0.24518698554778 1.008 > 13 30 H 0.49526704852180 0.30458582807615 0.24518698554778 1.008 > 14 31 H 0.19068122044566 0.69541417192385 0.25481301445222 1.008 > 15 32 H 0.50473295147820 0.80931877955434 0.25481301445222 1.008 > 16 33 H 0.30458582807615 0.49526704852180 0.25481301445222 1.008 > 17 34 H 0.85734788711232 0.82860038185513 0.08814634778555 1.008 > 18 35 H 0.97125249474281 0.14265211288768 0.08814634778555 1.008 > 19 36 H 0.17139961814487 0.02874750525719 0.08814634778555 1.008 > 20 37 H 0.14265211288768 0.97125249474281 0.41185365221445 1.008 > 9 38 H 0.82860038185513 0.85734788711232 0.41185365221445 1.008 > 10 39 H 0.02874750525719 0.17139961814487 0.41185365221445 1.008 > 11 40 H 0.47598544622101 0.83806628481153 0.57852031888111 1.008 > 12 41 H 0.36208083859052 0.52401455377899 0.57852031888111 1.008 > 13 42 H 0.16193371518847 0.63791916140948 0.57852031888111 1.008 > 14 43 H 0.85734788711232 0.02874750525719 0.58814634778555 1.008 > 15 44 H 0.17139961814487 0.14265211288768 0.58814634778555 1.008 > 16 45 H 0.97125249474281 0.82860038185513 0.58814634778555 1.008 > 17 46 H 0.52401455377899 0.16193371518847 0.42147968111889 1.008 > 18 47 H 0.63791916140948 0.47598544622101 0.42147968111889 1.008 > 19 48 H 0.83806628481153 0.36208083859052 0.42147968111889 1.008 > 20 49 H 0.80931877955434 0.30458582807615 0.74518698554778 1.008 > 9 50 H 0.49526704852180 0.19068122044565 0.74518698554778 1.008 > 10 51 H 0.69541417192385 0.50473295147820 0.74518698554778 1.008 > 11 52 H 0.14265211288768 0.17139961814487 0.91185365221445 1.008 > 12 53 H 0.02874750525719 0.85734788711232 0.91185365221445 1.008 > 13 54 H 0.82860038185513 0.97125249474281 0.91185365221445 1.008 > 14 55 H 0.52401455377899 0.36208083859052 0.92147968111889 1.008 > 15 56 H 0.83806628481153 0.47598544622101 0.92147968111889 1.008 > 16 57 H 0.63791916140948 0.16193371518847 0.92147968111889 1.008 > 17 58 H 0.19068122044565 0.49526704852180 0.75481301445222 1.008 > 18 59 H 0.30458582807615 0.80931877955434 0.75481301445222 1.008 > 19 60 H 0.50473295147820 0.69541417192385 0.75481301445222 1.008 > 20 *61 Ru 0.33333333333333 0.66666666666667 0.16666666666667 101.070 > 21 62 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 22 63 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 21 64 Ru 0.66666666666667 0.33333333333333 0.33333333333333 101.070 > 22 65 Ru 0.66666666666667 0.33333333333333 0.83333333333333 101.070 > 21 66 Ru 0.33333333333333 0.66666666666667 0.66666666666667 101.070 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9478791 -0.0000000 0.0000000 0.0000000 3.9478791 0.0000000 0.0000000 0.0000000 4.0147465 -------------------------- Born effective charges -------------------------- 1 Na 0.7895439 0.0000000 -0.0000000 0.0000000 0.7895439 -0.0000000 -0.0000000 -0.0000000 1.2198833 2 Na 0.7895439 0.0000000 -0.0000000 0.0000000 0.7895439 -0.0000000 -0.0000000 -0.0000000 1.2198833 3 Na 1.0288238 0.0000000 0.0000000 0.0000000 1.1495916 0.1605484 -0.0000000 0.1481158 0.9588519 4 Na 1.1193996 -0.0522940 0.1390390 -0.0522940 1.0590157 -0.0802742 0.1282720 -0.0740579 0.9588519 5 Na 1.1193996 0.0522940 -0.1390390 0.0522940 1.0590157 -0.0802742 -0.1282720 -0.0740579 0.9588519 6 Na 1.1193996 -0.0522940 0.1390390 -0.0522940 1.0590157 -0.0802742 0.1282720 -0.0740579 0.9588519 7 Na 1.1193996 0.0522940 -0.1390390 0.0522940 1.0590157 -0.0802742 -0.1282720 -0.0740579 0.9588519 8 Na 1.0288238 0.0000000 0.0000000 0.0000000 1.1495916 0.1605484 -0.0000000 0.1481158 0.9588519 9 H -0.8180878 0.1097253 0.6353105 0.1019484 0.1137807 -0.0495875 0.6704216 -0.0885181 -0.3571120 10 H -0.2108439 -0.4525408 -0.3605993 -0.4603177 -0.4934632 -0.5254013 -0.4118697 -0.5363431 -0.3571120 11 H -0.0275290 0.3544809 -0.2747113 0.3467040 -0.6767781 0.5749888 -0.2585519 0.6248611 -0.3571120 12 H -0.0275290 -0.3544809 0.2747113 -0.3467040 -0.6767781 0.5749888 0.2585519 0.6248611 -0.3571120 13 H -0.2108439 0.4525408 0.3605993 0.4603177 -0.4934632 -0.5254013 0.4118697 -0.5363431 -0.3571120 14 H -0.8180878 -0.1097253 -0.6353105 -0.1019484 0.1137807 -0.0495875 -0.6704216 -0.0885181 -0.3571120 15 H -0.8180878 0.1097253 0.6353105 0.1019484 0.1137807 -0.0495875 0.6704216 -0.0885181 -0.3571120 16 H -0.2108439 -0.4525408 -0.3605993 -0.4603177 -0.4934632 -0.5254013 -0.4118697 -0.5363431 -0.3571120 17 H -0.0275290 0.3544809 -0.2747113 0.3467040 -0.6767781 0.5749888 -0.2585519 0.6248611 -0.3571120 18 H -0.0275290 -0.3544809 0.2747113 -0.3467040 -0.6767781 0.5749888 0.2585519 0.6248611 -0.3571120 19 H -0.2108439 0.4525408 0.3605993 0.4603177 -0.4934632 -0.5254013 0.4118697 -0.5363431 -0.3571120 20 H -0.8180878 -0.1097253 -0.6353105 -0.1019484 0.1137807 -0.0495875 -0.6704216 -0.0885181 -0.3571120 21 Ru -1.9442457 0.2222038 -0.0000000 -0.2222038 -1.9442457 -0.0000000 -0.0000000 -0.0000000 -1.9537670 22 Ru -1.9442457 -0.2222038 -0.0000000 0.2222038 -1.9442457 -0.0000000 -0.0000000 -0.0000000 -1.9537670 ---------------------------------------------------------------------------- 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: 198/198 Permutation basis: 8409/8409 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 296 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 275 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 83 Use standard eigh solver. Tree of FC basis block matrices: - (592, 573), data: False |-- (83, 79), data: True |-- (234, 228), data: True |-- (275, 266), data: True ----- Solver_atoms: 1 -- 66 / 66 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.312 Solver_block: 200 / 240 - Time: 0.318 Solver_block: 240 / 240 - Time: 0.144 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.787 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 198/198 Permutation basis: 8409/8409 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 592 Number of blocks in projector: 296 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 275 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 234 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 83 Use standard eigh solver. Tree of FC basis block matrices: - (592, 573), data: False |-- (83, 79), data: True |-- (234, 228), data: True |-- (275, 266), 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 21:05:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:05:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.466900525266450 2.578966220705860 3.730390649999995 b -4.466900525266441 2.578966220705860 3.730390649999995 c 0.000000000000004 -5.157932441411728 3.730390649999995 Atomic positions (fractional): 1 Na 0.25000000000000 0.25000000000000 0.25000000000000 22.990 2 Na 0.75000000000000 0.75000000000000 0.75000000000000 22.990 3 Na 0.62486609737062 0.87513390262938 0.25000000000000 22.990 4 Na 0.87513390262938 0.25000000000000 0.62486609737062 22.990 5 Na 0.25000000000000 0.62486609737062 0.87513390262938 22.990 6 Na 0.12486609737062 0.75000000000000 0.37513390262938 22.990 7 Na 0.75000000000000 0.37513390262938 0.12486609737062 22.990 8 Na 0.37513390262938 0.12486609737062 0.75000000000000 22.990 9 H 0.55450576510213 0.24045403406958 0.44060115747163 1.008 10 H 0.24045403406958 0.44060115747164 0.55450576510213 1.008 11 H 0.44060115747164 0.55450576510213 0.24045403406958 1.008 12 H 0.05450576510213 0.94060115747164 0.74045403406958 1.008 13 H 0.94060115747164 0.74045403406958 0.05450576510213 1.008 14 H 0.74045403406958 0.05450576510213 0.94060115747164 1.008 15 H 0.44549423489788 0.75954596593042 0.55939884252836 1.008 16 H 0.75954596593042 0.55939884252836 0.44549423489787 1.008 17 H 0.55939884252837 0.44549423489787 0.75954596593042 1.008 18 H 0.94549423489788 0.05939884252837 0.25954596593042 1.008 19 H 0.05939884252837 0.25954596593042 0.94549423489787 1.008 20 H 0.25954596593042 0.94549423489788 0.05939884252837 1.008 21 Ru 0.50000000000000 0.50000000000000 0.50000000000000 101.070 22 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.933801050532891 0.000000000000000 0.000000000000000 b -4.466900525266445 7.736898662117588 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191171949999998 Atomic positions (fractional): 1 Na 0.33333333333333 0.66666666666667 0.91666666666667 22.990 > 1 2 Na 0.33333333333333 0.66666666666667 0.41666666666667 22.990 > 2 3 Na 0.37486609737062 0.00000000000000 0.25000000000000 22.990 > 3 4 Na 0.62513390262938 0.62513390262938 0.25000000000000 22.990 > 4 5 Na 0.00000000000000 0.37486609737062 0.25000000000000 22.990 > 5 6 Na 0.04153276403729 0.70819943070395 0.08333333333333 22.990 > 6 7 Na 0.66666666666667 0.95846723596271 0.08333333333333 22.990 > 7 8 Na 0.29180056929605 0.33333333333333 0.08333333333333 22.990 > 8 9 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 2 11 Na 0.04153276403729 0.33333333333333 0.58333333333333 22.990 > 3 12 Na 0.29180056929605 0.95846723596271 0.58333333333333 22.990 > 4 13 Na 0.66666666666667 0.70819943070395 0.58333333333333 22.990 > 5 14 Na 0.70819943070395 0.04153276403729 0.41666666666667 22.990 > 6 15 Na 0.33333333333333 0.29180056929605 0.41666666666667 22.990 > 7 16 Na 0.95846723596271 0.66666666666667 0.41666666666667 22.990 > 8 17 Na 0.66666666666667 0.33333333333333 0.58333333333333 22.990 > 1 18 Na 0.66666666666667 0.33333333333333 0.08333333333333 22.990 > 2 19 Na 0.70819943070395 0.66666666666667 0.91666666666667 22.990 > 3 20 Na 0.95846723596271 0.29180056929605 0.91666666666667 22.990 > 4 21 Na 0.33333333333333 0.04153276403729 0.91666666666667 22.990 > 5 22 Na 0.37486609737062 0.37486609737062 0.75000000000000 22.990 > 6 23 Na 0.00000000000000 0.62513390262938 0.75000000000000 22.990 > 7 24 Na 0.62513390262938 0.00000000000000 0.75000000000000 22.990 > 8 25 H 0.47598544622101 0.63791916140948 0.07852031888111 1.008 > 25 26 H 0.16193371518847 0.52401455377899 0.07852031888111 1.008 > 26 27 H 0.36208083859052 0.83806628481153 0.07852031888111 1.008 > 27 28 H 0.80931877955434 0.50473295147820 0.24518698554778 1.008 > 28 29 H 0.69541417192385 0.19068122044566 0.24518698554778 1.008 > 29 30 H 0.49526704852180 0.30458582807615 0.24518698554778 1.008 > 30 31 H 0.19068122044566 0.69541417192385 0.25481301445222 1.008 > 31 32 H 0.50473295147820 0.80931877955434 0.25481301445222 1.008 > 32 33 H 0.30458582807615 0.49526704852180 0.25481301445222 1.008 > 33 34 H 0.85734788711232 0.82860038185513 0.08814634778555 1.008 > 34 35 H 0.97125249474281 0.14265211288768 0.08814634778555 1.008 > 35 36 H 0.17139961814487 0.02874750525719 0.08814634778555 1.008 > 36 37 H 0.14265211288768 0.97125249474281 0.41185365221445 1.008 > 25 38 H 0.82860038185513 0.85734788711232 0.41185365221445 1.008 > 26 39 H 0.02874750525719 0.17139961814487 0.41185365221445 1.008 > 27 40 H 0.47598544622101 0.83806628481153 0.57852031888111 1.008 > 28 41 H 0.36208083859052 0.52401455377899 0.57852031888111 1.008 > 29 42 H 0.16193371518847 0.63791916140948 0.57852031888111 1.008 > 30 43 H 0.85734788711232 0.02874750525719 0.58814634778555 1.008 > 31 44 H 0.17139961814487 0.14265211288768 0.58814634778555 1.008 > 32 45 H 0.97125249474281 0.82860038185513 0.58814634778555 1.008 > 33 46 H 0.52401455377899 0.16193371518847 0.42147968111889 1.008 > 34 47 H 0.63791916140948 0.47598544622101 0.42147968111889 1.008 > 35 48 H 0.83806628481153 0.36208083859052 0.42147968111889 1.008 > 36 49 H 0.80931877955434 0.30458582807615 0.74518698554778 1.008 > 25 50 H 0.49526704852180 0.19068122044565 0.74518698554778 1.008 > 26 51 H 0.69541417192385 0.50473295147820 0.74518698554778 1.008 > 27 52 H 0.14265211288768 0.17139961814487 0.91185365221445 1.008 > 28 53 H 0.02874750525719 0.85734788711232 0.91185365221445 1.008 > 29 54 H 0.82860038185513 0.97125249474281 0.91185365221445 1.008 > 30 55 H 0.52401455377899 0.36208083859052 0.92147968111889 1.008 > 31 56 H 0.83806628481153 0.47598544622101 0.92147968111889 1.008 > 32 57 H 0.63791916140948 0.16193371518847 0.92147968111889 1.008 > 33 58 H 0.19068122044565 0.49526704852180 0.75481301445222 1.008 > 34 59 H 0.30458582807615 0.80931877955434 0.75481301445222 1.008 > 35 60 H 0.50473295147820 0.69541417192385 0.75481301445222 1.008 > 36 61 Ru 0.33333333333333 0.66666666666667 0.16666666666667 101.070 > 61 62 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 62 63 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 61 64 Ru 0.66666666666667 0.33333333333333 0.33333333333333 101.070 > 62 65 Ru 0.66666666666667 0.33333333333333 0.83333333333333 101.070 > 61 66 Ru 0.33333333333333 0.66666666666667 0.66666666666667 101.070 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9478791 -0.0000000 0.0000000 0.0000000 3.9478791 0.0000000 0.0000000 0.0000000 4.0147465 -------------------------- Born effective charges -------------------------- 1 Na 0.7895439 0.0000000 -0.0000000 0.0000000 0.7895439 -0.0000000 -0.0000000 -0.0000000 1.2198833 2 Na 0.7895439 0.0000000 -0.0000000 0.0000000 0.7895439 -0.0000000 -0.0000000 -0.0000000 1.2198833 3 Na 1.0288238 0.0000000 0.0000000 0.0000000 1.1495916 0.1605484 -0.0000000 0.1481158 0.9588519 4 Na 1.1193996 -0.0522940 0.1390390 -0.0522940 1.0590157 -0.0802742 0.1282720 -0.0740579 0.9588519 5 Na 1.1193996 0.0522940 -0.1390390 0.0522940 1.0590157 -0.0802742 -0.1282720 -0.0740579 0.9588519 6 Na 1.1193996 -0.0522940 0.1390390 -0.0522940 1.0590157 -0.0802742 0.1282720 -0.0740579 0.9588519 7 Na 1.1193996 0.0522940 -0.1390390 0.0522940 1.0590157 -0.0802742 -0.1282720 -0.0740579 0.9588519 8 Na 1.0288238 0.0000000 0.0000000 0.0000000 1.1495916 0.1605484 -0.0000000 0.1481158 0.9588519 9 H -0.8180878 0.1097253 0.6353105 0.1019484 0.1137807 -0.0495875 0.6704216 -0.0885181 -0.3571120 10 H -0.2108439 -0.4525408 -0.3605993 -0.4603177 -0.4934632 -0.5254013 -0.4118697 -0.5363431 -0.3571120 11 H -0.0275290 0.3544809 -0.2747113 0.3467040 -0.6767781 0.5749888 -0.2585519 0.6248611 -0.3571120 12 H -0.0275290 -0.3544809 0.2747113 -0.3467040 -0.6767781 0.5749888 0.2585519 0.6248611 -0.3571120 13 H -0.2108439 0.4525408 0.3605993 0.4603177 -0.4934632 -0.5254013 0.4118697 -0.5363431 -0.3571120 14 H -0.8180878 -0.1097253 -0.6353105 -0.1019484 0.1137807 -0.0495875 -0.6704216 -0.0885181 -0.3571120 15 H -0.8180878 0.1097253 0.6353105 0.1019484 0.1137807 -0.0495875 0.6704216 -0.0885181 -0.3571120 16 H -0.2108439 -0.4525408 -0.3605993 -0.4603177 -0.4934632 -0.5254013 -0.4118697 -0.5363431 -0.3571120 17 H -0.0275290 0.3544809 -0.2747113 0.3467040 -0.6767781 0.5749888 -0.2585519 0.6248611 -0.3571120 18 H -0.0275290 -0.3544809 0.2747113 -0.3467040 -0.6767781 0.5749888 0.2585519 0.6248611 -0.3571120 19 H -0.2108439 0.4525408 0.3605993 0.4603177 -0.4934632 -0.5254013 0.4118697 -0.5363431 -0.3571120 20 H -0.8180878 -0.1097253 -0.6353105 -0.1019484 0.1137807 -0.0495875 -0.6704216 -0.0885181 -0.3571120 21 Ru -1.9442457 0.2222038 -0.0000000 -0.2222038 -1.9442457 -0.0000000 -0.0000000 -0.0000000 -1.9537670 22 Ru -1.9442457 -0.2222038 -0.0000000 0.2222038 -1.9442457 -0.0000000 -0.0000000 -0.0000000 -1.9537670 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:05:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:05:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [ 0.66666667 -0.33333333 -0.33333333] [ 0.33333333 0.33333333 -0.66666667] [0.33333333 0.33333333 0.33333333] Spacegroup: R-3c (167) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.466900525266450 2.578966220705860 3.730390649999995 b -4.466900525266441 2.578966220705860 3.730390649999995 c 0.000000000000004 -5.157932441411728 3.730390649999995 Atomic positions (fractional): 1 Na 0.25000000000000 0.25000000000000 0.25000000000000 22.990 2 Na 0.75000000000000 0.75000000000000 0.75000000000000 22.990 3 Na 0.62486609737062 0.87513390262938 0.25000000000000 22.990 4 Na 0.87513390262938 0.25000000000000 0.62486609737062 22.990 5 Na 0.25000000000000 0.62486609737062 0.87513390262938 22.990 6 Na 0.12486609737062 0.75000000000000 0.37513390262938 22.990 7 Na 0.75000000000000 0.37513390262938 0.12486609737062 22.990 8 Na 0.37513390262938 0.12486609737062 0.75000000000000 22.990 9 H 0.55450576510213 0.24045403406958 0.44060115747163 1.008 10 H 0.24045403406958 0.44060115747164 0.55450576510213 1.008 11 H 0.44060115747164 0.55450576510213 0.24045403406958 1.008 12 H 0.05450576510213 0.94060115747164 0.74045403406958 1.008 13 H 0.94060115747164 0.74045403406958 0.05450576510213 1.008 14 H 0.74045403406958 0.05450576510213 0.94060115747164 1.008 15 H 0.44549423489788 0.75954596593042 0.55939884252836 1.008 16 H 0.75954596593042 0.55939884252836 0.44549423489787 1.008 17 H 0.55939884252837 0.44549423489787 0.75954596593042 1.008 18 H 0.94549423489788 0.05939884252837 0.25954596593042 1.008 19 H 0.05939884252837 0.25954596593042 0.94549423489787 1.008 20 H 0.25954596593042 0.94549423489788 0.05939884252837 1.008 21 Ru 0.50000000000000 0.50000000000000 0.50000000000000 101.070 22 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.933801050532891 0.000000000000000 0.000000000000000 b -4.466900525266445 7.736898662117588 0.000000000000000 c 0.000000000000000 0.000000000000000 11.191171949999998 Atomic positions (fractional): 1 Na 0.33333333333333 0.66666666666667 0.91666666666667 22.990 > 1 2 Na 0.33333333333333 0.66666666666667 0.41666666666667 22.990 > 2 3 Na 0.37486609737062 0.00000000000000 0.25000000000000 22.990 > 3 4 Na 0.62513390262938 0.62513390262938 0.25000000000000 22.990 > 4 5 Na 0.00000000000000 0.37486609737062 0.25000000000000 22.990 > 5 6 Na 0.04153276403729 0.70819943070395 0.08333333333333 22.990 > 6 7 Na 0.66666666666667 0.95846723596271 0.08333333333333 22.990 > 7 8 Na 0.29180056929605 0.33333333333333 0.08333333333333 22.990 > 8 9 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 1 10 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 2 11 Na 0.04153276403729 0.33333333333333 0.58333333333333 22.990 > 3 12 Na 0.29180056929605 0.95846723596271 0.58333333333333 22.990 > 4 13 Na 0.66666666666667 0.70819943070395 0.58333333333333 22.990 > 5 14 Na 0.70819943070395 0.04153276403729 0.41666666666667 22.990 > 6 15 Na 0.33333333333333 0.29180056929605 0.41666666666667 22.990 > 7 16 Na 0.95846723596271 0.66666666666667 0.41666666666667 22.990 > 8 17 Na 0.66666666666667 0.33333333333333 0.58333333333333 22.990 > 1 18 Na 0.66666666666667 0.33333333333333 0.08333333333333 22.990 > 2 19 Na 0.70819943070395 0.66666666666667 0.91666666666667 22.990 > 3 20 Na 0.95846723596271 0.29180056929605 0.91666666666667 22.990 > 4 21 Na 0.33333333333333 0.04153276403729 0.91666666666667 22.990 > 5 22 Na 0.37486609737062 0.37486609737062 0.75000000000000 22.990 > 6 23 Na 0.00000000000000 0.62513390262938 0.75000000000000 22.990 > 7 24 Na 0.62513390262938 0.00000000000000 0.75000000000000 22.990 > 8 25 H 0.47598544622101 0.63791916140948 0.07852031888111 1.008 > 25 26 H 0.16193371518847 0.52401455377899 0.07852031888111 1.008 > 26 27 H 0.36208083859052 0.83806628481153 0.07852031888111 1.008 > 27 28 H 0.80931877955434 0.50473295147820 0.24518698554778 1.008 > 28 29 H 0.69541417192385 0.19068122044566 0.24518698554778 1.008 > 29 30 H 0.49526704852180 0.30458582807615 0.24518698554778 1.008 > 30 31 H 0.19068122044566 0.69541417192385 0.25481301445222 1.008 > 31 32 H 0.50473295147820 0.80931877955434 0.25481301445222 1.008 > 32 33 H 0.30458582807615 0.49526704852180 0.25481301445222 1.008 > 33 34 H 0.85734788711232 0.82860038185513 0.08814634778555 1.008 > 34 35 H 0.97125249474281 0.14265211288768 0.08814634778555 1.008 > 35 36 H 0.17139961814487 0.02874750525719 0.08814634778555 1.008 > 36 37 H 0.14265211288768 0.97125249474281 0.41185365221445 1.008 > 25 38 H 0.82860038185513 0.85734788711232 0.41185365221445 1.008 > 26 39 H 0.02874750525719 0.17139961814487 0.41185365221445 1.008 > 27 40 H 0.47598544622101 0.83806628481153 0.57852031888111 1.008 > 28 41 H 0.36208083859052 0.52401455377899 0.57852031888111 1.008 > 29 42 H 0.16193371518847 0.63791916140948 0.57852031888111 1.008 > 30 43 H 0.85734788711232 0.02874750525719 0.58814634778555 1.008 > 31 44 H 0.17139961814487 0.14265211288768 0.58814634778555 1.008 > 32 45 H 0.97125249474281 0.82860038185513 0.58814634778555 1.008 > 33 46 H 0.52401455377899 0.16193371518847 0.42147968111889 1.008 > 34 47 H 0.63791916140948 0.47598544622101 0.42147968111889 1.008 > 35 48 H 0.83806628481153 0.36208083859052 0.42147968111889 1.008 > 36 49 H 0.80931877955434 0.30458582807615 0.74518698554778 1.008 > 25 50 H 0.49526704852180 0.19068122044565 0.74518698554778 1.008 > 26 51 H 0.69541417192385 0.50473295147820 0.74518698554778 1.008 > 27 52 H 0.14265211288768 0.17139961814487 0.91185365221445 1.008 > 28 53 H 0.02874750525719 0.85734788711232 0.91185365221445 1.008 > 29 54 H 0.82860038185513 0.97125249474281 0.91185365221445 1.008 > 30 55 H 0.52401455377899 0.36208083859052 0.92147968111889 1.008 > 31 56 H 0.83806628481153 0.47598544622101 0.92147968111889 1.008 > 32 57 H 0.63791916140948 0.16193371518847 0.92147968111889 1.008 > 33 58 H 0.19068122044565 0.49526704852180 0.75481301445222 1.008 > 34 59 H 0.30458582807615 0.80931877955434 0.75481301445222 1.008 > 35 60 H 0.50473295147820 0.69541417192385 0.75481301445222 1.008 > 36 61 Ru 0.33333333333333 0.66666666666667 0.16666666666667 101.070 > 61 62 Ru 0.00000000000000 0.00000000000000 0.00000000000000 101.070 > 62 63 Ru 0.00000000000000 0.00000000000000 0.50000000000000 101.070 > 61 64 Ru 0.66666666666667 0.33333333333333 0.33333333333333 101.070 > 62 65 Ru 0.66666666666667 0.33333333333333 0.83333333333333 101.070 > 61 66 Ru 0.33333333333333 0.66666666666667 0.66666666666667 101.070 > 62 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9478791 -0.0000000 0.0000000 0.0000000 3.9478791 0.0000000 0.0000000 0.0000000 4.0147465 -------------------------- Born effective charges -------------------------- 1 Na 0.7895439 0.0000000 -0.0000000 0.0000000 0.7895439 -0.0000000 -0.0000000 -0.0000000 1.2198833 2 Na 0.7895439 0.0000000 -0.0000000 0.0000000 0.7895439 -0.0000000 -0.0000000 -0.0000000 1.2198833 3 Na 1.0288238 0.0000000 0.0000000 0.0000000 1.1495916 0.1605484 -0.0000000 0.1481158 0.9588519 4 Na 1.1193996 -0.0522940 0.1390390 -0.0522940 1.0590157 -0.0802742 0.1282720 -0.0740579 0.9588519 5 Na 1.1193996 0.0522940 -0.1390390 0.0522940 1.0590157 -0.0802742 -0.1282720 -0.0740579 0.9588519 6 Na 1.1193996 -0.0522940 0.1390390 -0.0522940 1.0590157 -0.0802742 0.1282720 -0.0740579 0.9588519 7 Na 1.1193996 0.0522940 -0.1390390 0.0522940 1.0590157 -0.0802742 -0.1282720 -0.0740579 0.9588519 8 Na 1.0288238 0.0000000 0.0000000 0.0000000 1.1495916 0.1605484 -0.0000000 0.1481158 0.9588519 9 H -0.8180878 0.1097253 0.6353105 0.1019484 0.1137807 -0.0495875 0.6704216 -0.0885181 -0.3571120 10 H -0.2108439 -0.4525408 -0.3605993 -0.4603177 -0.4934632 -0.5254013 -0.4118697 -0.5363431 -0.3571120 11 H -0.0275290 0.3544809 -0.2747113 0.3467040 -0.6767781 0.5749888 -0.2585519 0.6248611 -0.3571120 12 H -0.0275290 -0.3544809 0.2747113 -0.3467040 -0.6767781 0.5749888 0.2585519 0.6248611 -0.3571120 13 H -0.2108439 0.4525408 0.3605993 0.4603177 -0.4934632 -0.5254013 0.4118697 -0.5363431 -0.3571120 14 H -0.8180878 -0.1097253 -0.6353105 -0.1019484 0.1137807 -0.0495875 -0.6704216 -0.0885181 -0.3571120 15 H -0.8180878 0.1097253 0.6353105 0.1019484 0.1137807 -0.0495875 0.6704216 -0.0885181 -0.3571120 16 H -0.2108439 -0.4525408 -0.3605993 -0.4603177 -0.4934632 -0.5254013 -0.4118697 -0.5363431 -0.3571120 17 H -0.0275290 0.3544809 -0.2747113 0.3467040 -0.6767781 0.5749888 -0.2585519 0.6248611 -0.3571120 18 H -0.0275290 -0.3544809 0.2747113 -0.3467040 -0.6767781 0.5749888 0.2585519 0.6248611 -0.3571120 19 H -0.2108439 0.4525408 0.3605993 0.4603177 -0.4934632 -0.5254013 0.4118697 -0.5363431 -0.3571120 20 H -0.8180878 -0.1097253 -0.6353105 -0.1019484 0.1137807 -0.0495875 -0.6704216 -0.0885181 -0.3571120 21 Ru -1.9442457 0.2222038 -0.0000000 -0.2222038 -1.9442457 -0.0000000 -0.0000000 -0.0000000 -1.9537670 22 Ru -1.9442457 -0.2222038 -0.0000000 0.2222038 -1.9442457 -0.0000000 -0.0000000 -0.0000000 -1.9537670 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) 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 ... [ 8 8 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: 0.65, Number of G-points: 305, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 65 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 2.380 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.293 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.722 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.250 ( 0.000 0.000 0.000) 0.000 6.070 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.231 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.644 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 8.525 ( 0.000 0.000 0.000) 0.000 8.989 ( 0.000 0.000 0.000) 0.000 14.543 ( 0.000 0.000 0.000) 0.000 14.994 ( 0.000 0.000 0.000) 0.000 17.053 ( 0.000 0.000 0.000) 0.000 17.053 ( 0.000 0.000 0.000) 0.000 17.148 ( 0.000 0.000 0.000) 0.000 17.148 ( 0.000 0.000 0.000) 0.000 20.591 ( 0.000 0.000 0.000) 0.000 20.674 ( 0.000 0.000 0.000) 0.000 20.846 ( 0.000 0.000 0.000) 0.000 20.846 ( 0.000 0.000 0.000) 0.000 21.021 ( 0.000 0.000 0.000) 0.000 21.021 ( 0.000 0.000 0.000) 0.000 23.274 ( 0.000 0.000 0.000) 0.000 23.274 ( 0.000 0.000 0.000) 0.000 23.403 ( 0.000 0.000 0.000) 0.000 23.403 ( 0.000 0.000 0.000) 0.000 23.461 ( 0.000 0.000 0.000) 0.000 23.461 ( 0.000 0.000 0.000) 0.000 23.574 ( 0.000 0.000 0.000) 0.000 23.574 ( 0.000 0.000 0.000) 0.000 23.833 ( 0.000 0.000 0.000) 0.000 24.049 ( 0.000 0.000 0.000) 0.000 24.686 ( 0.000 0.000 0.000) 0.000 24.780 ( 0.000 0.000 0.000) 0.000 40.850 ( 0.000 0.000 0.000) 0.000 40.892 ( 0.000 0.000 0.000) 0.000 40.892 ( 0.000 0.000 0.000) 0.000 42.457 ( 0.000 0.000 0.000) 0.000 42.579 ( 0.000 0.000 0.000) 0.000 42.579 ( 0.000 0.000 0.000) 0.000 50.514 ( 0.000 0.000 0.000) 0.000 50.514 ( 0.000 0.000 0.000) 0.000 50.985 ( 0.000 0.000 0.000) 0.000 50.985 ( 0.000 0.000 0.000) 0.000 51.300 ( 0.000 0.000 0.000) 0.000 51.454 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 18.212 10.515 23.283) 31.375 0.609 ( 21.869 12.626 15.681) 29.724 0.906 ( 30.455 17.583 28.303) 45.141 2.352 ( -2.947 -1.701 0.511) 3.441 2.390 ( -1.160 -0.670 3.970) 4.189 3.208 ( -2.601 -1.502 1.013) 3.170 3.229 ( 3.087 1.782 -1.539) 3.883 3.295 ( 1.345 0.777 1.092) 1.898 3.562 ( -2.515 -1.452 -0.044) 2.905 3.653 ( 2.897 1.672 -0.996) 3.490 3.719 ( -0.575 -0.332 0.319) 0.736 3.873 ( 1.055 0.609 -3.841) 4.029 3.903 ( -0.475 -0.274 4.362) 4.396 4.368 ( -3.558 -2.054 7.033) 8.145 4.553 ( -9.090 -5.248 1.818) 10.652 4.686 ( 0.021 0.012 -4.066) 4.066 4.957 ( 1.558 0.899 -1.226) 2.177 5.155 ( -4.164 -2.404 -7.128) 8.598 5.261 ( 3.605 2.081 -0.033) 4.162 5.340 ( 1.074 0.620 -9.757) 9.836 6.075 ( -6.459 -3.729 5.319) 9.161 6.222 ( -0.293 -0.169 -2.818) 2.838 6.268 ( 2.023 1.168 1.247) 2.648 6.330 ( -0.253 -0.146 -1.129) 1.166 6.367 ( 2.463 1.422 0.479) 2.885 6.692 ( 2.658 1.534 3.989) 5.033 7.031 ( -1.022 -0.590 -1.704) 2.073 7.659 ( 23.885 13.790 -46.020) 53.652 8.555 ( 0.113 0.065 5.091) 5.093 9.375 ( -22.223 -12.830 30.859) 40.134 14.542 ( 0.721 0.416 -1.210) 1.468 14.958 ( -2.949 -1.702 -1.229) 3.620 17.051 ( -0.579 -0.335 0.650) 0.933 17.059 ( -0.384 -0.222 1.667) 1.725 17.138 ( -0.111 -0.064 -1.514) 1.519 17.146 ( 0.748 0.432 -1.519) 1.748 20.600 ( 0.654 0.378 0.432) 0.870 20.677 ( -0.059 -0.034 0.477) 0.482 20.857 ( 0.717 0.414 0.740) 1.110 20.871 ( 1.813 1.047 0.662) 2.195 21.028 ( 0.269 0.155 0.792) 0.850 21.097 ( 2.184 1.261 -5.325) 5.892 23.278 ( 0.091 0.053 0.576) 0.586 23.280 ( 0.582 0.336 0.104) 0.680 23.412 ( 0.152 0.088 0.964) 0.979 23.416 ( -0.449 -0.259 -2.017) 2.082 23.458 ( 0.126 0.073 -0.627) 0.644 23.486 ( 1.558 0.899 0.138) 1.804 23.575 ( -0.140 -0.081 0.349) 0.385 23.623 ( 2.154 1.243 -4.414) 5.066 23.846 ( 0.317 0.183 1.811) 1.848 24.100 ( -3.036 -1.753 3.637) 5.052 24.695 ( -0.028 -0.016 1.479) 1.479 24.781 ( 0.491 0.284 -0.667) 0.875 40.961 ( 7.354 4.246 3.905) 9.347 41.062 ( 12.053 6.959 8.479) 16.296 42.014 ( -15.745 -9.090 31.804) 36.634 42.470 ( -1.511 -0.873 0.089) 1.748 42.634 ( 3.583 2.069 8.397) 9.361 44.622 ( 10.972 6.335 -19.938) 23.623 50.517 ( 0.771 0.445 -0.805) 1.201 50.538 ( 2.662 1.537 -0.553) 3.123 50.957 ( -1.315 -0.759 -2.738) 3.131 50.970 ( -1.689 -0.975 0.071) 1.951 51.301 ( 0.566 0.327 -0.478) 0.809 51.445 ( -0.381 -0.220 -0.853) 0.960 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 18.131 10.468 11.980) 24.121 1.188 ( 16.503 9.528 21.992) 29.100 1.730 ( 26.737 15.437 19.723) 36.636 2.315 ( -2.179 -1.258 5.132) 5.715 2.425 ( -1.459 -0.842 6.125) 6.353 3.166 ( -4.003 -2.311 4.894) 6.732 3.239 ( -0.179 -0.103 -3.662) 3.668 3.367 ( 3.862 2.229 1.775) 4.799 3.543 ( 1.118 0.646 0.928) 1.590 3.697 ( 2.483 1.434 -0.554) 2.921 3.708 ( -0.330 -0.191 -0.504) 0.632 3.828 ( -0.710 -0.410 -5.113) 5.178 3.962 ( -0.185 -0.107 7.117) 7.120 4.326 ( -3.600 -2.078 -3.412) 5.378 4.352 ( -13.831 -7.985 1.790) 16.071 4.583 ( -1.918 -1.107 -12.372) 12.569 4.954 ( -1.751 -1.011 -2.640) 3.325 4.962 ( -4.936 -2.850 -9.480) 11.061 5.301 ( 3.976 2.296 -0.665) 4.639 5.373 ( 6.315 3.646 3.109) 7.927 5.997 ( -6.405 -3.698 2.421) 7.782 6.130 ( -4.532 -2.616 -5.110) 7.314 6.293 ( 0.302 0.175 -0.420) 0.546 6.327 ( 1.201 0.694 -1.926) 2.373 6.463 ( 4.864 2.808 3.585) 6.664 6.824 ( 4.586 2.648 6.719) 8.555 6.974 ( -2.120 -1.224 -3.089) 3.941 7.559 ( 7.334 4.234 -23.824) 25.285 8.642 ( 0.925 0.534 8.719) 8.785 9.274 ( -11.322 -6.537 7.391) 15.018 14.548 ( 1.803 1.041 -1.682) 2.677 14.866 ( -4.912 -2.836 -1.731) 5.930 17.047 ( -0.781 -0.451 1.141) 1.455 17.073 ( -1.166 -0.673 3.403) 3.660 17.114 ( 0.399 0.230 -2.901) 2.937 17.141 ( 1.187 0.685 -2.565) 2.908 20.621 ( 1.013 0.585 0.328) 1.215 20.680 ( -0.402 -0.232 0.654) 0.802 20.887 ( 1.261 0.728 1.307) 1.957 20.926 ( 2.717 1.569 1.214) 3.364 21.045 ( 0.191 0.110 1.129) 1.150 21.070 ( -0.030 -0.017 -2.997) 2.997 23.291 ( 0.245 0.141 1.195) 1.228 23.298 ( 1.102 0.636 0.181) 1.286 23.386 ( -0.670 -0.387 -1.342) 1.549 23.415 ( -1.214 -0.701 0.868) 1.649 23.464 ( 1.618 0.934 -0.729) 2.005 23.514 ( 1.137 0.657 0.382) 1.368 23.576 ( -0.371 -0.214 0.721) 0.838 23.608 ( 0.273 0.157 -2.141) 2.164 23.883 ( 0.428 0.247 3.361) 3.397 24.076 ( -0.824 -0.476 -1.428) 1.716 24.716 ( -0.132 -0.076 2.507) 2.512 24.782 ( 0.792 0.458 -1.382) 1.658 41.212 ( 14.164 8.178 3.945) 16.824 41.462 ( 17.297 9.986 10.032) 22.351 42.087 ( -7.484 -4.321 19.062) 20.929 42.379 ( -8.073 -4.661 0.576) 9.340 42.923 ( 12.375 7.145 15.705) 21.233 44.566 ( 0.578 0.334 -10.780) 10.801 50.523 ( 0.427 0.246 -0.282) 0.568 50.588 ( 3.817 2.204 -2.082) 4.874 50.883 ( -2.249 -1.299 -3.801) 4.603 50.926 ( -2.474 -1.428 -0.676) 2.935 51.315 ( 1.489 0.860 -0.488) 1.787 51.427 ( -0.556 -0.321 -0.692) 0.944 ======================= Grid point 3 (4/65) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 12.795 7.387 6.654) 16.204 1.662 ( 8.441 4.873 16.253) 18.951 2.119 ( 7.518 4.341 -1.697) 8.846 2.438 ( -4.108 -2.372 3.061) 5.645 2.600 ( 15.695 9.061 17.896) 25.470 3.139 ( -4.673 -2.698 -4.889) 7.282 3.217 ( 0.632 0.365 12.878) 12.899 3.465 ( 4.202 2.426 2.099) 5.286 3.600 ( 1.638 0.946 0.782) 2.047 3.696 ( 2.034 1.174 -5.148) 5.658 3.723 ( 1.602 0.925 -1.917) 2.664 3.744 ( -4.557 -2.631 0.273) 5.269 4.044 ( -0.718 -0.414 7.909) 7.952 4.097 ( -10.969 -6.333 -4.600) 13.475 4.180 ( -4.790 -2.766 -6.022) 8.177 4.360 ( -3.649 -2.107 -14.665) 15.258 4.804 ( -2.621 -1.513 -5.318) 6.119 4.839 ( -4.759 -2.748 -3.478) 6.504 5.474 ( 9.523 5.498 5.503) 12.297 5.549 ( 7.695 4.442 4.058) 9.768 5.888 ( -6.744 -3.894 -0.284) 7.792 5.955 ( -7.250 -4.186 -6.107) 10.362 6.289 ( -0.208 -0.120 0.217) 0.324 6.318 ( 0.444 0.257 -2.352) 2.407 6.605 ( 4.813 2.779 5.017) 7.487 6.871 ( -2.915 -1.683 -4.719) 5.796 7.015 ( 4.629 2.673 9.529) 10.926 7.405 ( 0.439 0.253 -16.440) 16.448 8.780 ( 2.565 1.481 9.860) 10.295 9.124 ( -7.332 -4.233 -2.679) 8.881 14.578 ( 3.259 1.881 -1.156) 3.937 14.749 ( -5.428 -3.134 -1.232) 6.387 17.049 ( -0.514 -0.297 1.371) 1.494 17.078 ( -1.580 -0.912 1.246) 2.209 17.103 ( 0.743 0.429 -0.269) 0.899 17.133 ( 1.159 0.669 -2.942) 3.232 20.643 ( 1.148 0.663 -0.036) 1.326 20.675 ( -0.833 -0.481 0.581) 1.124 20.930 ( 1.523 0.880 1.672) 2.427 20.988 ( 2.253 1.301 0.775) 2.714 21.032 ( -0.728 -0.420 -2.107) 2.269 21.054 ( -0.480 -0.277 0.762) 0.942 23.312 ( 0.317 0.183 1.520) 1.563 23.324 ( 1.432 0.827 0.148) 1.660 23.362 ( -0.439 -0.253 -1.207) 1.309 23.392 ( -1.703 -0.983 0.187) 1.976 23.494 ( 2.158 1.246 -0.576) 2.558 23.533 ( 0.077 0.044 0.697) 0.702 23.576 ( -0.720 -0.416 1.125) 1.399 23.587 ( -0.052 -0.030 -1.769) 1.770 23.934 ( 0.312 0.180 4.357) 4.372 24.038 ( -0.188 -0.109 -3.672) 3.678 24.742 ( -0.348 -0.201 2.887) 2.915 24.778 ( 0.819 0.473 -2.107) 2.309 41.550 ( 16.973 9.799 3.211) 19.860 41.847 ( 14.206 8.202 3.549) 16.783 42.135 ( -6.873 -3.968 12.311) 14.648 42.189 ( -12.542 -7.241 0.148) 14.483 43.417 ( 17.613 10.169 20.439) 28.833 44.369 ( -8.117 -4.686 -13.105) 16.112 50.532 ( -0.442 -0.255 2.310) 2.365 50.608 ( 2.319 1.339 -5.522) 6.137 50.819 ( -1.013 -0.585 -0.837) 1.438 50.871 ( -1.861 -1.074 -1.543) 2.645 51.345 ( 2.110 1.218 -0.309) 2.456 51.408 ( -1.100 -0.635 -0.099) 1.274 ======================= Grid point 4 (5/65) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -6.493 -3.749 0.863) 7.547 1.757 ( 6.493 3.749 -0.863) 7.547 2.303 ( -9.794 -5.655 -3.032) 11.709 2.303 ( 9.794 5.655 3.032) 11.709 2.962 ( -8.609 -4.970 -6.005) 11.613 2.962 ( 8.609 4.970 6.005) 11.613 3.511 ( -9.451 -5.456 -15.072) 18.608 3.511 ( 9.451 5.456 15.072) 18.608 3.568 ( -2.560 -1.478 -6.378) 7.029 3.568 ( 2.560 1.478 6.378) 7.029 3.711 ( 0.981 0.567 -4.014) 4.170 3.711 ( -0.981 -0.567 4.014) 4.170 3.999 ( -4.354 -2.514 -0.397) 5.043 3.999 ( 4.354 2.514 0.397) 5.043 4.180 ( -2.413 -1.393 -7.266) 7.782 4.180 ( 2.413 1.393 7.266) 7.782 4.757 ( -1.496 -0.863 0.720) 1.871 4.757 ( 1.496 0.863 -0.720) 1.871 5.710 ( -1.922 -1.110 -4.040) 4.609 5.710 ( 1.922 1.110 4.040) 4.609 5.751 ( -0.125 -0.072 -0.393) 0.419 5.751 ( 0.125 0.072 0.393) 0.419 6.298 ( 0.041 0.024 -1.714) 1.715 6.298 ( -0.041 -0.024 1.714) 1.715 6.747 ( -4.048 -2.337 -5.381) 7.127 6.747 ( 4.048 2.337 5.381) 7.127 7.215 ( -3.266 -1.885 -12.473) 13.031 7.215 ( 3.266 1.885 12.473) 13.031 8.950 ( -4.724 -2.728 -7.975) 9.662 8.950 ( 4.724 2.728 7.975) 9.662 14.646 ( -4.681 -2.703 -0.043) 5.406 14.646 ( 4.681 2.703 0.043) 5.406 17.060 ( -0.156 -0.090 -1.131) 1.145 17.060 ( 0.156 0.090 1.131) 1.145 17.119 ( 0.638 0.368 -2.514) 2.620 17.119 ( -0.638 -0.368 2.514) 2.620 20.662 ( -1.100 -0.635 0.365) 1.322 20.662 ( 1.100 0.635 -0.365) 1.322 20.978 ( -1.378 -0.796 -1.865) 2.452 20.978 ( 1.378 0.796 1.865) 2.452 21.040 ( -1.492 -0.861 -0.031) 1.723 21.040 ( 1.492 0.861 0.031) 1.723 23.334 ( -0.191 -0.110 -1.307) 1.325 23.334 ( 0.191 0.110 1.307) 1.325 23.361 ( -1.545 -0.892 0.026) 1.784 23.361 ( 1.545 0.892 -0.026) 1.784 23.525 ( -1.814 -1.047 0.842) 2.258 23.525 ( 1.814 1.047 -0.842) 2.258 23.576 ( 0.872 0.503 -1.629) 1.915 23.576 ( -0.872 -0.503 1.629) 1.915 23.988 ( -0.140 -0.081 -4.536) 4.539 23.988 ( 0.140 0.081 4.536) 4.539 24.765 ( 0.623 0.360 -2.684) 2.778 24.765 ( -0.623 -0.360 2.684) 2.778 41.886 ( -14.865 -8.582 -1.818) 17.261 41.886 ( 14.865 8.582 1.818) 17.261 42.085 ( -8.442 -4.874 4.562) 10.763 42.085 ( 8.442 4.874 -4.562) 10.763 43.964 ( -15.676 -9.050 -18.639) 25.981 43.964 ( 15.676 9.050 18.639) 25.981 50.565 ( 0.744 0.429 -5.625) 5.690 50.565 ( -0.744 -0.429 5.625) 5.690 50.827 ( -0.894 -0.516 -1.529) 1.845 50.827 ( 0.894 0.516 1.529) 1.845 51.381 ( -1.881 -1.086 0.188) 2.180 51.381 ( 1.881 1.086 -0.188) 2.180 ======================= Grid point 10 (6/65) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -0.000 15.766 18.758) 24.504 0.877 ( -0.000 21.583 20.046) 29.456 1.376 ( -0.000 19.152 43.786) 47.792 2.363 ( 0.000 -3.453 2.379) 4.193 2.445 ( -0.000 -0.450 6.462) 6.478 3.194 ( -0.000 0.298 -0.613) 0.682 3.266 ( 0.000 -7.477 2.022) 7.746 3.278 ( -0.000 4.222 0.154) 4.224 3.524 ( 0.000 -2.122 -1.448) 2.569 3.618 ( -0.000 0.053 1.357) 1.358 3.720 ( 0.000 0.124 -0.925) 0.933 3.877 ( -0.000 5.814 -4.166) 7.152 3.988 ( -0.000 4.567 2.182) 5.062 4.445 ( 0.000 -13.402 -4.314) 14.079 4.553 ( -0.000 -3.873 9.636) 10.385 4.598 ( 0.000 -1.743 -10.783) 10.923 4.972 ( -0.000 2.343 1.878) 3.003 5.058 ( 0.000 1.227 -13.356) 13.412 5.149 ( 0.000 -4.500 -1.022) 4.614 5.317 ( -0.000 3.963 -2.252) 4.559 6.154 ( 0.000 -6.266 4.048) 7.460 6.197 ( 0.000 -0.785 -2.492) 2.612 6.249 ( 0.000 -1.689 -2.219) 2.789 6.337 ( -0.000 1.649 -1.224) 2.054 6.360 ( -0.000 4.991 1.660) 5.260 6.753 ( -0.000 2.450 6.992) 7.408 7.054 ( -0.000 0.936 -0.283) 0.977 7.270 ( -0.000 20.041 -21.658) 29.508 8.628 ( -0.000 -0.116 8.058) 8.059 9.538 ( 0.000 -19.443 2.296) 19.578 14.521 ( 0.000 0.756 -2.294) 2.415 14.938 ( 0.000 -3.183 -2.349) 3.956 17.054 ( 0.000 -0.771 -0.156) 0.786 17.081 ( -0.000 0.922 0.909) 1.294 17.120 ( 0.000 -0.640 -0.924) 1.124 17.127 ( 0.000 0.298 -1.063) 1.104 20.607 ( -0.000 0.448 0.773) 0.893 20.685 ( -0.000 -0.030 0.912) 0.913 20.870 ( -0.000 0.868 1.462) 1.700 20.881 ( -0.000 2.142 1.355) 2.534 21.017 ( 0.000 -0.719 0.083) 0.724 21.076 ( -0.000 3.508 -1.455) 3.798 23.275 ( 0.000 -0.319 0.419) 0.527 23.293 ( -0.000 1.075 0.847) 1.369 23.382 ( 0.000 -0.958 -0.786) 1.239 23.442 ( -0.000 2.454 -0.341) 2.478 23.457 ( -0.000 0.283 -0.516) 0.589 23.475 ( -0.000 0.549 0.352) 0.652 23.579 ( 0.000 -0.329 0.616) 0.699 23.598 ( -0.000 1.584 -0.823) 1.785 23.876 ( -0.000 0.427 3.457) 3.483 24.107 ( 0.000 -3.166 -1.609) 3.551 24.719 ( -0.000 -0.094 2.727) 2.729 24.771 ( -0.000 0.573 -1.273) 1.397 41.076 ( -0.000 8.293 9.518) 12.624 41.117 ( -0.000 6.903 14.139) 15.734 42.463 ( 0.000 -12.808 29.537) 32.195 42.525 ( -0.000 3.547 2.843) 4.546 42.716 ( -0.000 -1.681 12.449) 12.562 44.429 ( -0.000 15.158 -10.846) 18.639 50.453 ( 0.000 0.208 -4.884) 4.889 50.504 ( 0.000 0.569 -1.732) 1.823 50.922 ( 0.000 -2.174 -4.260) 4.782 50.974 ( -0.000 1.181 -1.747) 2.108 51.292 ( -0.000 0.572 -0.904) 1.070 51.432 ( 0.000 0.053 -1.516) 1.517 ======================= Grid point 11 (7/65) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 15.224 11.926 15.804) 24.976 1.306 ( 9.201 17.787 15.259) 25.177 1.978 ( 0.827 15.196 29.002) 32.752 2.389 ( 2.038 -0.633 7.811) 8.097 2.523 ( -1.710 0.102 9.142) 9.301 3.164 ( 0.613 -5.341 -3.937) 6.663 3.243 ( -0.709 -4.105 6.693) 7.884 3.317 ( 4.857 0.298 -2.411) 5.430 3.538 ( 2.422 1.527 0.772) 2.966 3.624 ( -0.778 -1.411 -0.377) 1.655 3.693 ( 0.430 1.454 -5.577) 5.779 3.859 ( -3.293 8.389 -4.123) 9.911 4.019 ( 3.412 -7.540 -0.484) 8.290 4.259 ( -6.530 -6.123 -0.686) 8.978 4.423 ( -1.460 -3.091 -12.847) 13.294 4.561 ( -9.013 0.455 1.525) 9.153 4.903 ( -2.992 -0.339 -10.008) 10.451 4.976 ( -4.679 -0.578 1.085) 4.838 5.198 ( 9.038 -1.078 2.515) 9.443 5.371 ( 4.376 3.452 2.885) 6.276 6.077 ( -6.621 -5.961 1.566) 9.046 6.121 ( -4.106 -1.980 -4.333) 6.290 6.233 ( 3.604 -2.612 -1.699) 4.764 6.335 ( -0.935 2.219 -0.676) 2.501 6.475 ( 4.071 6.373 3.651) 8.397 6.879 ( 2.513 2.483 7.967) 8.715 6.999 ( -5.170 2.399 -2.617) 6.272 7.261 ( 8.429 5.412 -15.256) 18.251 8.729 ( 0.940 -0.054 8.865) 8.915 9.334 ( -5.833 -11.304 -5.663) 13.924 14.509 ( 1.371 1.200 -2.595) 3.171 14.863 ( -2.252 -3.931 -2.693) 5.270 17.037 ( 0.708 -0.120 -2.769) 2.861 17.076 ( 0.144 1.768 -3.631) 4.041 17.116 ( -0.076 -1.361 1.696) 2.176 17.137 ( -0.862 -0.251 3.526) 3.638 20.621 ( 0.388 0.368 0.662) 0.851 20.694 ( -0.379 -0.168 1.015) 1.097 20.900 ( 0.444 1.049 1.836) 2.160 20.931 ( 1.429 2.648 1.704) 3.457 21.017 ( 0.937 -1.393 -0.356) 1.716 21.085 ( -0.858 2.188 -0.146) 2.355 23.284 ( 0.761 -0.365 0.656) 1.069 23.314 ( 0.009 1.432 1.139) 1.830 23.367 ( 0.205 -0.975 -1.142) 1.515 23.438 ( -1.576 -0.528 0.528) 1.744 23.457 ( 0.236 2.673 -1.148) 2.919 23.500 ( 1.793 0.485 0.104) 1.860 23.583 ( -0.026 -0.672 0.815) 1.057 23.601 ( -0.375 0.429 0.012) 0.571 23.927 ( 0.130 0.512 4.639) 4.669 24.053 ( -0.623 -1.445 -3.317) 3.672 24.751 ( -0.206 -0.018 3.183) 3.190 24.761 ( 0.338 0.753 -1.857) 2.033 41.270 ( 2.051 11.254 11.383) 16.138 41.459 ( 11.792 8.229 13.655) 19.830 42.486 ( -13.811 -1.334 13.910) 19.647 42.586 ( -15.358 3.168 13.789) 20.881 42.994 ( 13.045 2.654 21.422) 25.221 44.452 ( 2.102 3.836 -7.166) 8.395 50.439 ( 4.703 -0.159 -4.574) 6.563 50.506 ( 3.962 1.244 -4.706) 6.276 50.832 ( -1.084 -3.854 -4.907) 6.333 50.950 ( -1.931 1.312 -1.984) 3.064 51.296 ( 1.085 1.030 -0.844) 1.717 51.419 ( 0.050 0.561 -1.190) 1.316 ======================= Grid point 12 (8/65) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 8.787 8.584 9.978) 15.826 1.756 ( 13.110 12.435 12.719) 22.097 2.138 ( -6.410 4.445 3.235) 8.445 2.518 ( -4.827 -2.592 3.278) 6.385 2.705 ( 6.187 8.073 14.469) 17.686 3.071 ( 0.225 -7.008 -4.250) 8.199 3.279 ( 5.180 -8.243 0.905) 9.777 3.424 ( 6.307 2.558 7.720) 10.291 3.545 ( 1.159 1.508 -11.220) 11.380 3.613 ( 0.776 2.541 -0.197) 2.664 3.648 ( 2.781 -0.212 -4.094) 4.954 3.808 ( -4.890 -3.796 -1.165) 6.299 3.959 ( 3.844 -6.647 -1.546) 7.832 4.190 ( -2.219 1.323 -1.764) 3.128 4.277 ( -6.285 1.840 0.447) 6.564 4.370 ( -15.796 0.656 -2.679) 16.035 4.768 ( -1.500 -1.093 -6.124) 6.399 4.882 ( -7.155 -0.162 0.255) 7.162 5.405 ( 12.016 0.902 5.306) 13.166 5.543 ( 6.941 5.464 6.060) 10.712 5.930 ( -7.690 -6.742 -0.477) 10.238 5.969 ( -6.537 -3.107 -5.403) 9.032 6.252 ( 3.109 -1.782 -0.540) 3.624 6.327 ( -1.676 1.014 0.365) 1.992 6.636 ( 4.166 6.600 4.777) 9.151 6.875 ( -5.179 1.745 -5.438) 7.710 7.073 ( 5.503 1.473 9.820) 11.353 7.215 ( 3.304 -0.238 -11.250) 11.728 8.848 ( 2.454 0.337 7.578) 7.973 9.093 ( -4.852 -7.004 -10.456) 13.488 14.528 ( 3.342 1.725 -1.959) 4.240 14.763 ( -3.281 -3.770 -2.073) 5.411 17.017 ( 1.702 0.239 -3.860) 4.225 17.050 ( 0.472 1.788 -3.956) 4.367 17.124 ( -0.405 -1.571 2.304) 2.818 17.166 ( -1.747 -0.154 4.836) 5.144 20.637 ( 0.629 0.392 0.337) 0.815 20.693 ( -0.935 -0.404 0.871) 1.341 20.939 ( 1.003 0.798 1.990) 2.367 20.987 ( 0.961 1.524 0.759) 1.955 21.008 ( 0.522 -0.531 -0.451) 0.870 21.085 ( -1.508 1.214 0.450) 1.988 23.304 ( 1.268 -0.345 0.731) 1.504 23.336 ( -0.116 0.628 0.318) 0.713 23.350 ( -0.051 0.169 -0.564) 0.590 23.412 ( -1.851 -0.518 0.032) 1.923 23.476 ( 1.203 1.961 -0.733) 2.414 23.528 ( 1.558 0.414 -0.073) 1.613 23.579 ( -0.807 -0.808 0.191) 1.157 23.599 ( -0.750 -0.309 1.192) 1.443 23.987 ( -0.008 0.350 5.072) 5.084 23.996 ( -0.386 -0.526 -4.033) 4.086 24.749 ( 0.433 0.758 -2.352) 2.509 24.781 ( -0.488 -0.015 3.044) 3.083 41.554 ( 6.816 12.837 9.691) 17.469 41.801 ( 9.850 6.583 7.583) 14.066 42.385 ( -16.332 -1.957 7.234) 17.970 42.500 ( -20.462 0.103 14.685) 25.186 43.524 ( 15.300 9.689 25.488) 31.266 44.326 ( -8.445 -2.780 -9.473) 12.991 50.457 ( 5.238 -1.953 -4.858) 7.406 50.517 ( 4.899 2.501 -6.529) 8.537 50.760 ( 2.197 -4.317 -1.555) 5.088 50.903 ( -3.246 1.438 -1.611) 3.899 51.320 ( 2.043 1.424 -0.613) 2.565 51.413 ( -0.407 0.484 -0.579) 0.857 ======================= Grid point 13 (9/65) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 1.260 4.549 -0.568) 4.754 1.919 ( -13.748 1.185 4.095) 14.394 2.239 ( 9.803 5.226 1.360) 11.192 2.359 ( -8.372 -1.649 -4.989) 9.884 2.920 ( 3.936 -1.099 -0.877) 4.179 2.971 ( -0.532 -0.580 0.152) 0.802 3.245 ( 6.510 -10.315 -12.936) 17.779 3.445 ( 1.815 -3.591 -4.027) 5.693 3.543 ( -1.344 -0.411 -4.259) 4.485 3.584 ( 2.407 0.752 -2.695) 3.691 3.699 ( -0.540 -8.756 7.094) 11.282 3.784 ( 0.981 4.731 7.599) 9.005 4.015 ( 2.370 6.557 -0.826) 7.021 4.142 ( -8.701 3.567 0.377) 9.412 4.150 ( -1.339 -0.701 -1.930) 2.452 4.298 ( -3.003 2.938 9.597) 10.476 4.730 ( 2.503 0.299 -1.010) 2.716 4.827 ( -4.666 3.436 3.780) 6.919 5.618 ( 10.588 -0.609 2.410) 10.876 5.732 ( -3.205 -4.887 -1.792) 6.113 5.769 ( -6.164 -0.791 -1.870) 6.490 5.787 ( -0.424 1.259 3.898) 4.118 6.271 ( 1.743 -0.614 -0.857) 2.037 6.325 ( -0.853 -0.691 2.866) 3.069 6.743 ( -4.675 0.850 -6.085) 7.721 6.796 ( 2.373 6.412 4.674) 8.282 7.107 ( -1.336 -2.124 -8.425) 8.790 7.295 ( 7.231 0.258 12.200) 14.184 8.862 ( -2.994 -4.356 -12.364) 13.446 8.965 ( 4.002 0.783 3.992) 5.707 14.589 ( 5.419 2.112 -0.776) 5.868 14.673 ( -3.188 -2.905 -0.870) 4.400 17.004 ( 2.229 0.260 -3.610) 4.250 17.033 ( 1.078 1.861 -3.670) 4.253 17.130 ( -0.793 -1.530 2.581) 3.104 17.189 ( -2.341 -0.174 4.615) 5.177 20.652 ( 0.726 0.477 0.042) 0.870 20.681 ( -1.379 -0.594 0.625) 1.627 20.968 ( -0.845 -1.281 -1.082) 1.878 20.983 ( 1.208 0.103 1.882) 2.239 21.041 ( 0.732 2.133 0.443) 2.298 21.067 ( -2.367 0.367 0.144) 2.400 23.317 ( -0.137 -0.638 -1.239) 1.400 23.330 ( 1.316 -0.474 0.618) 1.529 23.364 ( -0.019 1.486 0.374) 1.533 23.382 ( -1.875 -0.148 -0.039) 1.882 23.503 ( 1.584 0.995 -0.343) 1.901 23.548 ( 1.331 0.456 -0.786) 1.611 23.555 ( -1.894 -0.878 0.556) 2.161 23.601 ( -0.702 -0.450 1.541) 1.752 23.944 ( -0.372 -0.118 -3.929) 3.948 24.041 ( -0.318 0.053 4.562) 4.574 24.733 ( 0.326 0.600 -2.563) 2.652 24.803 ( -0.841 -0.101 2.465) 2.607 41.852 ( 7.962 10.784 5.468) 14.477 41.978 ( 1.093 4.762 -0.545) 4.916 42.181 ( -18.837 -1.221 7.459) 20.296 42.335 ( -20.388 -4.063 9.007) 22.656 43.947 ( -16.595 -6.886 -13.501) 22.474 44.082 ( 9.472 9.649 21.011) 24.985 50.422 ( 5.966 -1.998 -10.432) 12.183 50.576 ( 4.768 0.387 2.340) 5.325 50.787 ( 4.585 -0.705 -0.326) 4.651 50.851 ( -3.159 0.090 -0.461) 3.194 51.357 ( 2.260 1.362 -0.425) 2.673 51.397 ( -1.400 -0.068 -0.316) 1.437 ======================= Grid point 14 (10/65) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -11.330 -1.347 -18.098) 21.395 1.656 ( -18.589 -4.876 -4.586) 19.757 2.193 ( -1.718 0.123 -0.591) 1.821 2.394 ( 0.230 1.627 -0.485) 1.714 2.655 ( -23.103 -7.392 -8.113) 25.577 3.068 ( 3.029 -4.235 -2.288) 5.687 3.127 ( 5.401 1.671 0.441) 5.671 3.436 ( -1.178 -2.097 -5.867) 6.341 3.546 ( 10.702 -1.311 -5.788) 12.237 3.576 ( 9.349 0.679 -1.309) 9.464 3.713 ( 0.318 -4.888 4.098) 6.386 3.808 ( -7.149 2.760 0.814) 7.707 3.966 ( -1.730 -2.825 -5.030) 6.022 4.147 ( -2.529 6.018 5.296) 8.406 4.267 ( 3.230 7.480 3.849) 9.011 4.471 ( 5.941 1.069 12.694) 14.057 4.805 ( 5.416 1.365 2.139) 5.981 4.902 ( -0.129 6.727 7.473) 10.056 5.511 ( -10.742 -5.044 -3.485) 12.368 5.559 ( -6.142 -6.500 -4.849) 10.173 5.789 ( 9.109 -1.115 0.828) 9.215 5.987 ( 4.844 5.988 6.611) 10.150 6.276 ( 0.867 -0.425 -0.211) 0.988 6.352 ( -0.033 -1.106 3.554) 3.723 6.609 ( -5.195 0.161 -5.479) 7.552 6.923 ( 1.599 5.205 3.757) 6.616 6.965 ( -4.577 -2.277 -5.837) 7.759 7.547 ( 6.845 -0.505 15.434) 16.891 8.674 ( -1.174 -2.314 -10.813) 11.120 9.049 ( 5.083 0.950 -2.139) 5.596 14.611 ( -2.473 -1.752 0.227) 3.039 14.691 ( 6.874 2.066 0.284) 7.184 17.003 ( 2.296 0.144 -2.522) 3.414 17.028 ( 1.512 1.588 -3.061) 3.765 17.135 ( -0.819 -1.151 2.334) 2.728 17.199 ( -2.625 -0.221 3.584) 4.448 20.660 ( -1.612 -0.615 0.310) 1.753 20.665 ( 0.596 0.459 -0.144) 0.766 20.929 ( -1.484 -0.975 -0.997) 2.037 21.010 ( -1.194 -0.515 0.465) 1.381 21.027 ( -0.981 -0.656 -0.098) 1.185 21.072 ( 0.147 2.091 0.829) 2.254 23.294 ( -0.197 -0.666 -1.160) 1.352 23.343 ( -1.453 -0.172 0.004) 1.463 23.358 ( 1.022 -0.194 0.262) 1.073 23.386 ( 0.322 1.309 0.144) 1.356 23.518 ( -0.235 -0.386 -0.448) 0.636 23.527 ( -1.035 -0.082 0.161) 1.051 23.559 ( 0.630 0.008 -0.112) 0.640 23.610 ( -0.135 0.133 1.606) 1.617 23.897 ( -0.540 -0.006 -3.093) 3.140 24.077 ( -0.629 -0.208 3.003) 3.075 24.712 ( 0.138 0.352 -2.247) 2.278 24.811 ( -1.126 -0.187 1.645) 2.002 41.761 ( -20.660 -4.237 -0.837) 21.107 42.021 ( -22.505 -6.664 1.664) 23.530 42.039 ( 1.273 4.710 -2.837) 5.644 42.219 ( -0.259 10.786 6.734) 12.719 43.410 ( -22.285 -9.359 -15.650) 28.795 44.468 ( 5.637 6.181 14.189) 16.471 50.394 ( 8.014 -2.796 -8.196) 11.799 50.677 ( 1.310 1.479 4.031) 4.489 50.797 ( -0.395 -1.391 0.394) 1.499 50.863 ( 4.052 0.764 0.155) 4.126 51.366 ( -1.961 -0.500 -0.199) 2.034 51.393 ( 1.798 0.918 -0.109) 2.022 ======================= Grid point 15 (11/65) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -17.835 -3.144 -22.125) 28.592 1.264 ( -23.053 -6.692 -5.206) 24.563 2.013 ( -37.793 -6.949 -2.663) 38.519 2.252 ( 1.865 1.368 -3.216) 3.961 2.369 ( -1.886 0.212 -2.873) 3.443 3.092 ( 4.057 0.680 0.628) 4.161 3.231 ( 4.804 -2.308 2.930) 6.082 3.341 ( -0.386 -0.666 -5.883) 5.934 3.547 ( 0.452 -0.188 -1.581) 1.655 3.689 ( -3.915 -2.775 1.367) 4.989 3.735 ( -3.551 1.036 -0.444) 3.725 3.809 ( 9.011 4.925 -1.289) 10.350 3.912 ( 8.547 -3.501 -2.473) 9.561 4.218 ( 0.097 3.486 4.793) 5.927 4.382 ( 2.425 3.602 -0.023) 4.342 4.658 ( 2.980 0.072 6.391) 7.052 4.927 ( 5.825 0.178 2.478) 6.333 5.054 ( 2.057 6.624 5.184) 8.659 5.315 ( -6.596 -4.368 -0.731) 7.945 5.399 ( -3.771 -3.716 -2.073) 5.685 5.901 ( 7.449 0.050 -0.558) 7.470 6.147 ( 4.213 3.464 3.664) 6.571 6.281 ( 0.431 -1.068 0.095) 1.156 6.372 ( -1.044 -0.578 2.486) 2.757 6.483 ( -5.498 -0.184 -3.504) 6.522 6.822 ( -5.779 -1.529 -3.373) 6.864 7.006 ( 0.864 2.942 2.097) 3.714 7.823 ( 5.793 -0.355 18.706) 19.585 8.558 ( -0.004 -0.781 -6.076) 6.126 9.058 ( 4.598 0.520 -10.101) 11.110 14.578 ( -1.690 -0.710 0.593) 1.927 14.811 ( 7.030 1.363 0.616) 7.187 17.014 ( 2.062 -0.016 -1.137) 2.355 17.031 ( 1.393 0.927 -1.846) 2.492 17.141 ( -0.425 -0.519 1.437) 1.586 17.192 ( -2.457 -0.184 1.948) 3.141 20.634 ( -1.634 -0.408 0.011) 1.685 20.673 ( 0.290 0.256 -0.193) 0.432 20.892 ( -1.590 -0.494 -0.605) 1.771 20.955 ( -3.847 -0.445 -0.555) 3.912 21.025 ( 0.347 -0.871 -0.257) 0.973 21.106 ( 0.614 1.265 1.544) 2.089 23.278 ( -0.058 -0.407 -0.639) 0.760 23.316 ( -1.742 -0.024 -0.173) 1.751 23.383 ( 1.549 -0.286 0.710) 1.728 23.398 ( 0.486 0.722 -0.535) 1.022 23.496 ( -1.700 0.628 0.096) 1.815 23.515 ( -0.741 -1.072 -0.104) 1.307 23.565 ( 0.491 0.001 -0.154) 0.514 23.635 ( 0.524 0.411 1.710) 1.835 23.861 ( -0.673 -0.025 -1.712) 1.840 24.085 ( -0.891 -0.300 0.641) 1.137 24.695 ( -0.008 0.121 -1.306) 1.312 24.806 ( -1.184 -0.170 0.779) 1.428 41.410 ( -22.058 -3.479 -0.744) 22.343 41.599 ( -25.686 -7.148 -3.247) 26.858 41.992 ( -4.252 3.380 -5.357) 7.629 42.404 ( 2.390 10.816 4.632) 12.007 42.900 ( -17.002 -8.966 -10.827) 22.061 44.668 ( 2.023 2.010 7.610) 8.127 50.411 ( 7.684 -2.919 -4.885) 9.561 50.665 ( -5.618 0.557 0.519) 5.669 50.853 ( 4.882 -1.397 2.727) 5.764 50.927 ( 3.090 2.024 0.089) 3.695 51.334 ( -1.746 -0.436 0.013) 1.799 51.421 ( 1.364 0.402 0.202) 1.436 ======================= Grid point 16 (12/65) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -22.207 -0.000 0.000) 22.207 0.829 ( -28.021 -0.000 0.000) 28.021 1.347 ( -46.374 -0.000 0.000) 46.374 2.301 ( 4.394 0.000 -0.000) 4.394 2.344 ( 0.967 0.000 -0.000) 0.967 3.168 ( 4.358 0.000 -0.000) 4.358 3.282 ( -0.306 -0.000 0.000) 0.306 3.288 ( -0.844 -0.000 0.000) 0.844 3.524 ( -0.556 -0.000 0.000) 0.556 3.640 ( -0.867 -0.000 0.000) 0.867 3.714 ( -0.176 -0.000 0.000) 0.176 3.844 ( 1.428 0.000 -0.000) 1.428 4.008 ( -1.172 -0.000 0.000) 1.172 4.363 ( 13.733 0.000 -0.000) 13.733 4.370 ( -3.635 -0.000 0.000) 3.635 4.707 ( 0.178 0.000 -0.000) 0.178 4.979 ( 0.022 0.000 -0.000) 0.022 5.154 ( 3.484 0.000 -0.000) 3.484 5.247 ( -0.356 -0.000 0.000) 0.356 5.377 ( 2.325 0.000 -0.000) 2.325 5.988 ( 5.445 0.000 -0.000) 5.445 6.237 ( 2.907 0.000 -0.000) 2.907 6.267 ( -1.257 -0.000 0.000) 1.257 6.371 ( -1.273 -0.000 0.000) 1.273 6.382 ( -4.890 -0.000 0.000) 4.890 6.718 ( -4.997 -0.000 0.000) 4.997 7.040 ( 0.621 0.000 -0.000) 0.621 8.076 ( 7.582 0.000 -0.000) 7.582 8.523 ( 0.180 0.000 -0.000) 0.180 8.988 ( 0.117 0.000 -0.000) 0.117 14.560 ( -1.144 -0.000 0.000) 1.144 14.911 ( 5.600 0.000 -0.000) 5.600 17.033 ( 1.473 0.000 -0.000) 1.473 17.041 ( 0.919 0.000 -0.000) 0.919 17.145 ( 0.008 0.000 -0.000) 0.008 17.172 ( -1.799 -0.000 0.000) 1.799 20.611 ( -1.334 -0.000 0.000) 1.334 20.674 ( 0.049 0.000 -0.000) 0.049 20.866 ( -1.315 -0.000 0.000) 1.315 20.898 ( -3.184 -0.000 0.000) 3.184 21.021 ( 0.035 0.000 -0.000) 0.035 21.135 ( 0.914 0.000 -0.000) 0.914 23.273 ( 0.059 0.000 -0.000) 0.059 23.293 ( -1.294 -0.000 0.000) 1.294 23.399 ( 0.160 0.000 -0.000) 0.160 23.412 ( 1.814 0.000 -0.000) 1.814 23.484 ( -1.494 -0.000 0.000) 1.494 23.491 ( -0.939 -0.000 0.000) 0.939 23.570 ( 0.301 0.000 -0.000) 0.301 23.661 ( 0.900 0.000 -0.000) 0.900 23.842 ( -0.601 -0.000 0.000) 0.601 24.067 ( -1.197 -0.000 0.000) 1.197 24.687 ( -0.051 -0.000 0.000) 0.051 24.794 ( -0.947 -0.000 0.000) 0.947 41.106 ( -17.419 -0.000 0.000) 17.419 41.202 ( -21.161 -0.000 0.000) 21.161 41.884 ( -6.975 -0.000 0.000) 6.975 42.538 ( 2.665 0.000 -0.000) 2.665 42.582 ( -10.177 -0.000 0.000) 10.177 44.752 ( 2.261 0.000 -0.000) 2.261 50.454 ( 4.740 0.000 -0.000) 4.740 50.591 ( -5.002 -0.000 0.000) 5.002 50.924 ( 3.905 0.000 -0.000) 3.905 50.973 ( 1.493 0.000 -0.000) 1.493 51.313 ( -1.038 -0.000 0.000) 1.038 51.441 ( 0.962 0.000 -0.000) 0.962 ======================= Grid point 19 (13/65) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -0.000 12.951 15.127) 19.913 1.536 ( -0.000 14.871 11.975) 19.093 2.404 ( -0.000 -1.314 4.045) 4.253 2.439 ( -0.000 12.326 22.836) 25.950 2.685 ( -0.000 3.287 14.306) 14.679 3.067 ( 0.000 -7.168 -2.167) 7.488 3.158 ( 0.000 -5.422 -11.639) 12.840 3.335 ( -0.000 -0.503 10.171) 10.183 3.526 ( 0.000 -0.733 -12.196) 12.218 3.571 ( -0.000 3.170 -5.851) 6.654 3.657 ( 0.000 -1.405 2.504) 2.871 3.840 ( 0.000 -15.443 -2.458) 15.637 3.919 ( -0.000 10.410 -3.368) 10.941 4.192 ( 0.000 -5.351 -8.487) 10.033 4.430 ( -0.000 7.239 3.636) 8.101 4.626 ( 0.000 -3.553 -0.843) 3.651 4.798 ( 0.000 -1.778 -9.815) 9.974 5.086 ( -0.000 -0.686 5.507) 5.549 5.129 ( -0.000 0.305 2.388) 2.407 5.414 ( -0.000 4.995 7.201) 8.764 6.076 ( 0.000 -6.872 -5.942) 9.084 6.090 ( 0.000 -3.608 -0.795) 3.694 6.169 ( 0.000 -1.500 1.176) 1.907 6.358 ( -0.000 1.490 0.660) 1.630 6.547 ( -0.000 8.340 4.052) 9.272 6.963 ( -0.000 0.995 7.024) 7.094 7.053 ( 0.000 3.262 -13.983) 14.358 7.074 ( -0.000 1.666 0.831) 1.862 8.814 ( -0.000 -0.344 7.701) 7.709 9.172 ( 0.000 -9.959 -12.866) 16.270 14.478 ( -0.000 1.347 -2.781) 3.090 14.812 ( 0.000 -4.238 -2.924) 5.149 16.991 ( 0.000 0.353 -4.132) 4.147 17.043 ( -0.000 2.134 -4.707) 5.169 17.130 ( 0.000 -1.986 2.987) 3.587 17.192 ( -0.000 -0.081 4.902) 4.903 20.628 ( -0.000 0.071 0.668) 0.672 20.707 ( -0.000 -0.245 1.035) 1.064 20.928 ( -0.000 1.229 1.856) 2.226 20.965 ( -0.000 3.061 1.929) 3.618 21.000 ( 0.000 -1.252 -0.116) 1.257 21.108 ( -0.000 1.650 0.455) 1.712 23.284 ( -0.000 -0.331 0.839) 0.902 23.341 ( -0.000 1.602 1.252) 2.033 23.346 ( 0.000 -0.888 -1.095) 1.410 23.450 ( -0.000 0.253 -0.425) 0.495 23.471 ( -0.000 2.124 -0.778) 2.262 23.483 ( -0.000 0.354 -0.270) 0.445 23.589 ( 0.000 -0.864 1.193) 1.473 23.611 ( -0.000 -0.236 0.959) 0.987 23.987 ( -0.000 0.579 5.282) 5.313 24.004 ( 0.000 -1.123 -3.953) 4.109 24.743 ( 0.000 0.929 -2.225) 2.412 24.789 ( -0.000 0.080 3.186) 3.187 41.507 ( -0.000 11.215 12.511) 16.802 41.596 ( -0.000 8.583 14.329) 16.703 42.685 ( -0.000 5.457 4.727) 7.220 42.979 ( -0.000 -5.318 13.797) 14.787 43.165 ( -0.000 9.978 34.367) 35.786 44.419 ( -0.000 2.338 -2.692) 3.565 50.354 ( -0.000 1.922 -4.419) 4.819 50.406 ( 0.000 -1.082 -8.856) 8.922 50.744 ( 0.000 -4.866 -4.684) 6.754 50.953 ( -0.000 2.074 -2.268) 3.073 51.288 ( -0.000 1.266 -0.630) 1.414 51.415 ( -0.000 1.618 -0.941) 1.872 ======================= Grid point 20 (14/65) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 7.161 8.223 9.138) 14.227 1.804 ( 8.529 11.765 7.704) 16.447 2.362 ( -10.118 1.598 4.499) 11.188 2.610 ( -8.452 -0.669 -0.277) 8.483 2.817 ( 1.171 -0.579 2.365) 2.702 2.973 ( 5.392 -5.965 -7.541) 11.024 3.056 ( -0.706 -3.046 -0.698) 3.204 3.377 ( 5.399 0.738 -9.371) 10.840 3.486 ( 2.958 1.961 7.298) 8.116 3.592 ( 1.166 -1.280 -3.063) 3.519 3.659 ( 0.128 2.352 5.699) 6.167 3.744 ( 1.573 -10.527 2.169) 10.863 3.958 ( -0.805 8.227 -1.229) 8.358 4.105 ( 2.330 -2.359 -4.454) 5.553 4.475 ( -8.983 -4.824 -3.831) 10.892 4.507 ( -7.043 4.846 6.190) 10.555 4.689 ( 0.476 -0.389 -7.198) 7.225 5.027 ( -8.048 1.979 2.980) 8.807 5.293 ( 11.084 -0.631 3.936) 11.779 5.604 ( 3.629 7.415 10.516) 13.369 5.916 ( -3.263 -8.026 -6.103) 10.598 6.014 ( -6.794 -2.416 0.352) 7.219 6.190 ( 2.747 -1.387 0.245) 3.087 6.369 ( -1.401 -0.335 2.243) 2.666 6.695 ( 3.673 8.550 4.559) 10.362 6.883 ( -4.166 1.023 -9.383) 10.317 7.061 ( 4.607 -0.646 0.286) 4.660 7.126 ( 2.192 0.199 3.847) 4.433 8.894 ( 1.165 -0.259 5.540) 5.667 8.928 ( -1.391 -7.140 -15.340) 16.978 14.476 ( 2.244 1.463 -2.157) 3.440 14.739 ( -1.300 -3.671 -2.298) 4.522 16.956 ( 0.961 0.518 -3.802) 3.956 17.011 ( 0.441 1.950 -4.291) 4.734 17.146 ( -0.310 -1.862 2.897) 3.458 17.240 ( -1.028 0.081 4.748) 4.859 20.637 ( 0.319 0.026 0.462) 0.562 20.711 ( -0.606 -0.393 0.803) 1.080 20.958 ( 0.297 0.814 1.468) 1.705 20.986 ( -0.300 -1.003 -0.056) 1.048 21.016 ( 0.783 2.583 1.421) 3.050 21.119 ( -1.065 1.126 0.653) 1.682 23.296 ( 0.657 -0.275 0.819) 1.086 23.325 ( -0.152 -0.780 -1.139) 1.389 23.366 ( -0.020 1.487 0.895) 1.736 23.435 ( -1.652 -0.050 -0.079) 1.655 23.472 ( 0.345 1.726 -0.929) 1.990 23.502 ( 1.802 0.437 -0.689) 1.978 23.592 ( -0.648 -0.937 1.214) 1.665 23.617 ( -0.386 -0.599 1.297) 1.480 23.952 ( -0.201 -0.464 -3.650) 3.685 24.049 ( -0.174 0.387 5.074) 5.092 24.726 ( 0.140 0.901 -2.384) 2.553 24.821 ( -0.366 0.121 2.707) 2.735 41.724 ( 0.902 10.871 10.381) 15.059 41.844 ( 4.994 6.298 9.173) 12.196 42.693 ( -12.559 4.118 6.521) 14.738 42.933 ( -17.258 -3.913 12.131) 21.455 43.740 ( 10.032 12.782 30.654) 34.694 44.358 ( -7.561 -1.317 -2.148) 7.969 50.274 ( 3.070 -3.684 -13.371) 14.204 50.386 ( 6.753 2.453 -3.229) 7.876 50.681 ( 1.671 -4.046 -1.217) 4.544 50.934 ( -1.825 1.977 -1.706) 3.186 51.303 ( 1.197 1.488 -0.261) 1.928 51.420 ( -0.329 1.725 -0.471) 1.819 ======================= Grid point 21 (15/65) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 260 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -0.565 2.809 -3.978) 4.902 2.093 ( 7.003 3.122 -2.319) 8.010 2.212 ( -13.562 -0.880 -2.369) 13.796 2.396 ( -2.972 3.052 -0.999) 4.376 2.819 ( 4.327 -4.208 -2.799) 6.653 2.968 ( -2.788 -0.325 -3.069) 4.159 3.020 ( 5.844 -6.707 3.433) 9.535 3.407 ( -0.741 0.479 0.899) 1.260 3.489 ( 1.494 -1.822 -5.223) 5.730 3.514 ( -2.398 -0.059 -5.320) 5.836 3.743 ( -1.922 -4.721 6.916) 8.592 3.888 ( 3.365 7.121 5.251) 9.467 3.991 ( 1.864 0.786 -2.434) 3.165 4.122 ( 6.317 1.693 1.274) 6.663 4.244 ( -7.006 -3.479 -1.518) 7.968 4.494 ( -9.662 2.768 5.182) 11.308 4.666 ( 4.199 0.263 -2.246) 4.769 5.012 ( -5.976 7.122 5.757) 10.935 5.479 ( 11.301 -1.352 2.013) 11.559 5.702 ( -3.629 -6.832 -5.108) 9.270 5.804 ( -4.488 0.689 0.698) 4.594 5.921 ( -4.070 2.553 7.720) 9.093 6.222 ( 3.038 -0.919 -0.409) 3.200 6.368 ( -1.457 -2.548 3.576) 4.627 6.735 ( -3.601 0.737 -7.385) 8.249 6.863 ( 2.981 7.212 3.081) 8.390 7.061 ( -1.681 0.593 -1.922) 2.621 7.274 ( 10.182 -2.473 7.593) 12.940 8.699 ( -0.587 -4.425 -13.786) 14.491 8.959 ( 1.764 -0.123 2.332) 2.926 14.519 ( 4.817 1.390 -1.102) 5.133 14.672 ( -1.696 -2.492 -1.198) 3.243 16.942 ( 1.741 0.439 -2.811) 3.335 16.993 ( 0.956 1.520 -3.202) 3.671 17.155 ( -0.567 -1.415 2.250) 2.718 17.268 ( -1.973 0.092 3.733) 4.224 20.648 ( 0.568 0.153 0.229) 0.631 20.702 ( -1.194 -0.471 0.518) 1.384 20.960 ( -0.601 -0.990 -0.507) 1.265 20.993 ( 0.357 0.338 1.411) 1.494 21.056 ( 0.531 1.921 0.687) 2.108 21.108 ( -2.314 0.618 0.381) 2.425 23.303 ( -0.344 -0.608 -0.983) 1.206 23.316 ( 1.113 -0.234 0.496) 1.241 23.381 ( -0.324 1.050 0.225) 1.121 23.409 ( -1.886 0.232 0.014) 1.900 23.488 ( 1.219 0.636 -0.248) 1.397 23.519 ( 1.505 0.425 -1.057) 1.888 23.583 ( -1.358 -0.726 1.160) 1.928 23.621 ( -0.465 -0.500 1.159) 1.345 23.910 ( -0.363 -0.039 -2.795) 2.819 24.097 ( -0.613 0.088 3.902) 3.951 24.709 ( 0.120 0.664 -2.114) 2.219 24.839 ( -0.808 0.061 1.896) 2.062 41.923 ( 2.630 8.095 5.326) 10.041 42.005 ( 1.858 3.926 3.144) 5.362 42.573 ( -19.166 3.057 8.317) 21.115 42.729 ( -23.596 -3.412 8.076) 25.172 44.021 ( -15.555 -2.916 -6.275) 17.025 44.331 ( 1.290 9.598 22.577) 24.567 50.156 ( 7.608 -4.640 -13.627) 16.282 50.504 ( 9.025 2.097 0.689) 9.291 50.699 ( 4.958 -2.071 -0.158) 5.375 50.896 ( -3.356 0.949 -0.738) 3.564 51.335 ( 1.866 1.306 -0.062) 2.279 51.416 ( -1.332 0.980 -0.302) 1.681 ======================= Grid point 22 (16/65) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -11.723 -1.070 -15.503) 19.466 1.833 ( -16.831 -3.709 -3.762) 17.641 2.176 ( 0.971 0.239 -1.722) 1.991 2.491 ( -6.704 4.103 6.213) 10.019 2.795 ( -3.183 -3.023 -0.722) 4.449 2.973 ( 12.053 -0.643 -3.233) 12.496 3.106 ( -0.793 1.270 6.054) 6.237 3.319 ( -2.992 -5.229 -2.510) 6.526 3.398 ( -3.593 -0.165 -6.385) 7.329 3.471 ( 4.823 -0.936 -2.241) 5.400 3.748 ( -1.861 -1.757 4.409) 5.098 3.876 ( -1.609 0.461 -4.991) 5.264 3.958 ( -2.727 0.530 -1.772) 3.295 4.236 ( 3.159 4.279 1.912) 5.652 4.331 ( -1.162 1.788 6.661) 6.994 4.470 ( 6.145 -0.390 2.709) 6.727 4.744 ( 6.531 0.565 0.607) 6.583 5.081 ( -4.297 8.287 6.423) 11.331 5.508 ( -3.374 -7.411 -5.254) 9.691 5.618 ( -6.963 -0.260 -0.640) 6.997 5.657 ( 3.903 -2.897 -0.038) 4.860 6.057 ( 1.484 4.353 6.023) 7.578 6.249 ( 2.166 -0.330 -0.342) 2.217 6.373 ( 0.274 -2.594 2.691) 3.748 6.623 ( -4.086 0.748 -4.084) 5.825 6.936 ( -0.339 0.828 -0.918) 1.282 7.022 ( -3.478 3.143 1.131) 4.822 7.519 ( 14.163 -1.181 7.228) 15.945 8.550 ( 0.605 -1.913 -7.942) 8.192 8.987 ( 1.289 -0.126 -1.000) 1.636 14.605 ( 6.914 0.939 -0.213) 6.981 14.627 ( -1.621 -1.135 -0.254) 1.995 16.949 ( 2.253 0.211 -1.460) 2.693 16.991 ( 1.341 0.851 -1.714) 2.336 17.158 ( -0.656 -0.748 1.256) 1.603 17.268 ( -2.633 0.022 2.045) 3.334 20.660 ( 0.610 0.201 0.057) 0.645 20.682 ( -1.627 -0.346 0.239) 1.681 20.934 ( -1.260 -0.586 -0.405) 1.448 21.012 ( 0.397 -0.176 0.700) 0.824 21.062 ( -2.768 0.296 -0.174) 2.789 21.091 ( -0.226 0.984 0.478) 1.117 23.284 ( -0.376 -0.381 -0.633) 0.829 23.337 ( 1.445 -0.115 0.264) 1.474 23.369 ( -1.756 0.037 -0.221) 1.771 23.399 ( -0.505 0.787 0.181) 0.952 23.502 ( 0.935 -0.393 -0.226) 1.039 23.529 ( 0.774 0.484 -0.587) 1.086 23.570 ( -1.380 -0.340 0.767) 1.615 23.625 ( -0.040 -0.066 0.767) 0.771 23.880 ( -0.576 0.061 -1.542) 1.647 24.117 ( -1.160 -0.103 1.939) 2.262 24.694 ( 0.039 0.308 -1.261) 1.299 24.841 ( -1.185 -0.017 0.932) 1.508 41.957 ( -9.828 0.654 -0.645) 9.871 42.053 ( -0.465 2.779 0.450) 2.853 42.399 ( -28.433 -2.839 2.956) 28.726 42.465 ( -11.876 5.376 8.029) 15.310 43.564 ( -27.353 -4.971 -8.152) 28.972 44.621 ( 0.694 5.498 11.490) 12.757 50.132 ( 11.016 -3.121 -7.925) 13.924 50.669 ( 7.767 2.075 3.564) 8.794 50.764 ( 7.122 -0.821 -1.812) 7.394 50.838 ( -4.624 -0.527 0.002) 4.654 51.371 ( 1.939 0.715 0.020) 2.067 51.393 ( -2.102 0.167 -0.217) 2.120 ======================= Grid point 23 (17/65) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -17.777 -0.000 0.000) 17.777 1.529 ( -21.392 -0.000 0.000) 21.392 2.194 ( 2.677 0.000 -0.000) 2.677 2.393 ( -11.395 -0.000 0.000) 11.395 2.539 ( -28.818 -0.000 0.000) 28.818 3.072 ( -0.035 -0.000 0.000) 0.035 3.132 ( 9.188 0.000 -0.000) 9.188 3.313 ( -2.262 -0.000 0.000) 2.262 3.455 ( 14.205 0.000 -0.000) 14.205 3.565 ( 14.787 0.000 -0.000) 14.787 3.739 ( -2.533 -0.000 0.000) 2.533 3.833 ( -0.284 -0.000 0.000) 0.284 3.862 ( -9.574 -0.000 0.000) 9.574 4.305 ( -3.160 -0.000 0.000) 3.160 4.338 ( 4.950 0.000 -0.000) 4.950 4.627 ( 7.643 0.000 -0.000) 7.643 4.848 ( 7.138 0.000 -0.000) 7.138 5.115 ( -2.063 -0.000 0.000) 2.063 5.395 ( -2.926 -0.000 0.000) 2.926 5.433 ( -11.596 -0.000 0.000) 11.596 5.780 ( 9.130 0.000 -0.000) 9.130 6.135 ( 2.715 0.000 -0.000) 2.715 6.268 ( 1.046 0.000 -0.000) 1.046 6.387 ( 0.491 0.000 -0.000) 0.491 6.539 ( -5.190 -0.000 0.000) 5.190 6.878 ( -5.258 -0.000 0.000) 5.258 7.026 ( -0.188 -0.000 0.000) 0.188 7.769 ( 14.050 0.000 -0.000) 14.050 8.510 ( 0.857 0.000 -0.000) 0.857 8.983 ( 0.232 0.000 -0.000) 0.232 14.600 ( -1.553 -0.000 0.000) 1.553 14.713 ( 7.780 0.000 -0.000) 7.780 16.975 ( 2.426 0.000 -0.000) 2.426 17.005 ( 1.470 0.000 -0.000) 1.470 17.153 ( -0.556 -0.000 0.000) 0.556 17.241 ( -2.832 -0.000 0.000) 2.832 20.658 ( -1.829 -0.000 0.000) 1.829 20.668 ( 0.428 0.000 -0.000) 0.428 20.909 ( -1.582 -0.000 0.000) 1.582 21.008 ( -4.180 -0.000 0.000) 4.180 21.018 ( 0.190 0.000 -0.000) 0.190 21.106 ( 0.916 0.000 -0.000) 0.916 23.274 ( -0.221 -0.000 0.000) 0.221 23.341 ( -1.976 -0.000 0.000) 1.976 23.360 ( 1.747 0.000 -0.000) 1.747 23.399 ( -0.155 -0.000 0.000) 0.155 23.505 ( 0.099 0.000 -0.000) 0.099 23.528 ( -0.960 -0.000 0.000) 0.960 23.561 ( -0.131 -0.000 0.000) 0.131 23.635 ( 0.706 0.000 -0.000) 0.706 23.862 ( -0.720 -0.000 0.000) 0.720 24.108 ( -1.532 -0.000 0.000) 1.532 24.688 ( -0.018 -0.000 0.000) 0.018 24.828 ( -1.337 -0.000 0.000) 1.337 41.710 ( -21.923 -0.000 0.000) 21.923 41.973 ( -31.312 -0.000 0.000) 31.312 42.037 ( -3.100 -0.000 0.000) 3.100 42.474 ( -0.114 -0.000 0.000) 0.114 43.099 ( -26.214 -0.000 0.000) 26.214 44.706 ( 0.456 0.000 -0.000) 0.456 50.232 ( 10.807 0.000 -0.000) 10.807 50.754 ( -5.713 -0.000 0.000) 5.713 50.798 ( 4.794 0.000 -0.000) 4.794 50.855 ( 7.426 0.000 -0.000) 7.426 51.360 ( -2.201 -0.000 0.000) 2.201 51.401 ( 1.836 0.000 -0.000) 1.836 ======================= Grid point 28 (18/65) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( -0.000 4.298 1.064) 4.428 1.889 ( -0.000 7.598 3.659) 8.434 2.462 ( -0.000 0.955 -0.965) 1.358 2.555 ( 0.000 -9.128 -18.970) 21.052 2.735 ( 0.000 -4.489 -2.150) 4.977 2.869 ( -0.000 -1.064 11.802) 11.850 3.197 ( 0.000 -0.879 -7.239) 7.292 3.284 ( -0.000 11.476 10.143) 15.316 3.479 ( 0.000 -7.308 -6.285) 9.639 3.543 ( -0.000 2.094 1.187) 2.407 3.712 ( -0.000 0.427 3.753) 3.777 3.769 ( -0.000 -0.378 11.180) 11.187 4.010 ( 0.000 -3.752 -3.579) 5.185 4.017 ( -0.000 7.134 -3.526) 7.958 4.418 ( 0.000 -8.056 -5.500) 9.754 4.576 ( 0.000 -5.876 -0.834) 5.934 4.725 ( -0.000 12.521 2.280) 12.726 5.136 ( 0.000 -2.303 1.752) 2.893 5.233 ( -0.000 3.268 4.244) 5.356 5.785 ( 0.000 -9.489 -7.779) 12.270 5.787 ( -0.000 9.665 11.692) 15.169 6.071 ( -0.000 -1.011 2.647) 2.833 6.168 ( 0.000 -1.007 0.406) 1.085 6.399 ( 0.000 -3.090 3.188) 4.440 6.783 ( -0.000 8.400 4.191) 9.387 6.795 ( 0.000 -0.622 -9.428) 9.449 7.035 ( 0.000 -0.544 0.984) 1.124 7.151 ( -0.000 -1.166 3.157) 3.365 8.707 ( 0.000 -5.413 -15.352) 16.278 8.936 ( -0.000 -0.274 3.645) 3.655 14.448 ( -0.000 1.136 -1.661) 2.012 14.697 ( 0.000 -2.806 -1.780) 3.323 16.916 ( 0.000 0.538 -2.828) 2.879 16.979 ( -0.000 1.524 -3.326) 3.658 17.164 ( 0.000 -1.462 2.258) 2.690 17.297 ( -0.000 0.180 3.777) 3.781 20.639 ( -0.000 -0.111 0.352) 0.369 20.719 ( 0.000 -0.388 0.519) 0.648 20.965 ( 0.000 -0.500 -0.028) 0.501 20.992 ( -0.000 0.388 0.990) 1.063 21.046 ( -0.000 2.067 1.208) 2.394 21.143 ( -0.000 0.815 0.689) 1.067 23.299 ( -0.000 -0.217 0.722) 0.754 23.309 ( 0.000 -0.619 -0.904) 1.096 23.385 ( -0.000 1.116 0.490) 1.219 23.452 ( -0.000 0.539 0.074) 0.544 23.472 ( -0.000 0.775 -0.996) 1.262 23.477 ( -0.000 0.278 -0.635) 0.694 23.604 ( 0.000 -0.767 1.182) 1.409 23.628 ( 0.000 -0.664 1.074) 1.263 23.916 ( 0.000 -0.140 -2.670) 2.674 24.106 ( -0.000 0.253 4.164) 4.171 24.707 ( 0.000 0.797 -2.075) 2.223 24.851 ( -0.000 0.152 1.993) 1.999 41.890 ( -0.000 6.943 6.959) 9.830 41.956 ( -0.000 5.434 7.138) 8.971 42.884 ( -0.000 4.409 4.689) 6.436 43.117 ( 0.000 -5.577 7.035) 8.977 44.103 ( -0.000 12.102 20.683) 23.964 44.453 ( -0.000 1.307 10.373) 10.455 50.040 ( 0.000 -5.404 -16.048) 16.933 50.329 ( -0.000 2.273 -1.380) 2.660 50.631 ( 0.000 -2.862 -0.275) 2.875 50.947 ( -0.000 1.896 -1.221) 2.255 51.306 ( -0.000 1.409 0.164) 1.419 51.435 ( -0.000 1.850 -0.145) 1.856 ======================= Grid point 29 (19/65) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 1.777 -0.452 -8.672) 8.863 1.993 ( 4.471 2.854 -0.459) 5.324 2.246 ( -5.779 -4.503 -8.189) 10.988 2.516 ( -1.126 3.555 5.878) 6.962 2.702 ( 3.352 -3.166 -1.516) 4.853 3.001 ( 2.341 -1.815 7.274) 7.854 3.028 ( -11.162 -0.468 -4.510) 12.048 3.370 ( 1.286 -3.633 -2.879) 4.811 3.488 ( 0.141 5.811 -0.445) 5.830 3.545 ( -2.546 3.714 5.207) 6.884 3.801 ( 2.343 -0.173 6.073) 6.512 3.879 ( 0.597 -1.312 -4.515) 4.739 3.976 ( -1.564 1.822 -2.265) 3.301 4.000 ( 10.054 -3.187 -0.115) 10.547 4.288 ( -4.642 -2.018 -0.519) 5.088 4.569 ( 4.889 -2.521 0.044) 5.501 4.729 ( -12.440 4.865 1.125) 13.405 5.169 ( 1.509 4.213 3.609) 5.749 5.361 ( 6.261 1.942 3.361) 7.367 5.603 ( -1.974 -9.089 -7.382) 11.874 5.933 ( -5.587 4.530 3.468) 7.985 6.078 ( -3.138 2.915 6.061) 7.422 6.173 ( 1.906 -0.942 -0.155) 2.132 6.384 ( -0.674 -5.122 1.478) 5.374 6.702 ( -1.477 0.412 -4.567) 4.817 6.903 ( 1.866 5.083 1.892) 5.736 7.081 ( 3.497 3.286 1.229) 4.953 7.174 ( 4.233 -4.928 1.727) 6.722 8.530 ( 0.529 -2.793 -9.689) 10.097 8.966 ( 0.333 -0.143 1.482) 1.526 14.461 ( 2.834 0.678 -0.774) 3.015 14.660 ( -0.652 -1.443 -0.834) 1.790 16.902 ( 0.918 0.317 -1.489) 1.778 16.963 ( 0.547 0.836 -1.781) 2.042 17.172 ( -0.302 -0.791 1.221) 1.486 17.324 ( -1.110 0.120 2.086) 2.367 20.644 ( 0.378 -0.035 0.165) 0.414 20.716 ( -0.657 -0.273 0.241) 0.751 20.957 ( -0.355 -0.509 -0.207) 0.654 21.006 ( 0.035 0.368 0.710) 0.800 21.070 ( 0.197 1.070 0.533) 1.211 21.144 ( -1.420 0.402 0.363) 1.520 23.295 ( -0.274 -0.356 -0.546) 0.707 23.308 ( 0.518 -0.113 0.382) 0.653 23.394 ( -0.247 0.574 0.071) 0.628 23.438 ( -1.836 0.324 0.029) 1.865 23.473 ( 0.776 0.141 -0.403) 0.886 23.491 ( 1.631 0.302 -0.409) 1.708 23.604 ( -0.714 -0.408 0.709) 1.086 23.631 ( -0.234 -0.391 0.605) 0.757 23.891 ( -0.218 0.036 -1.411) 1.428 24.141 ( -0.464 0.072 2.325) 2.372 24.693 ( 0.031 0.447 -1.251) 1.329 24.866 ( -0.492 0.082 1.034) 1.148 41.997 ( 1.013 3.844 2.944) 4.947 42.053 ( 0.471 2.501 3.013) 3.944 42.876 ( -10.701 1.869 3.502) 11.414 43.044 ( -13.585 -2.223 3.928) 14.315 44.176 ( -11.751 0.253 -0.700) 11.775 44.654 ( -2.924 6.925 17.156) 18.731 49.880 ( 5.436 -4.026 -10.491) 12.483 50.394 ( 7.978 1.448 -0.170) 8.110 50.631 ( 2.444 -1.483 0.057) 2.859 50.936 ( -1.910 0.978 -0.484) 2.199 51.326 ( 0.964 0.872 0.190) 1.314 51.440 ( -0.979 0.962 -0.058) 1.374 ======================= Grid point 30 (20/65) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -6.269 -0.000 0.000) 6.269 1.973 ( -7.867 -0.000 0.000) 7.867 2.156 ( -0.087 -0.000 0.000) 0.087 2.685 ( 14.572 0.000 -0.000) 14.572 2.741 ( 3.358 0.000 -0.000) 3.358 2.764 ( -14.982 -0.000 0.000) 14.982 3.101 ( 5.580 0.000 -0.000) 5.580 3.385 ( 4.341 0.000 -0.000) 4.341 3.422 ( -6.231 -0.000 0.000) 6.231 3.520 ( -15.736 -0.000 0.000) 15.736 3.801 ( -0.984 -0.000 0.000) 0.984 3.848 ( -1.853 -0.000 0.000) 1.853 3.927 ( 3.869 0.000 -0.000) 3.869 4.200 ( 7.556 0.000 -0.000) 7.556 4.296 ( 9.047 0.000 -0.000) 9.047 4.550 ( -14.283 -0.000 0.000) 14.283 4.651 ( 7.041 0.000 -0.000) 7.041 5.231 ( -3.114 -0.000 0.000) 3.114 5.462 ( -1.601 -0.000 0.000) 1.601 5.507 ( 8.915 0.000 -0.000) 8.915 5.805 ( -13.152 -0.000 0.000) 13.152 6.121 ( -1.403 -0.000 0.000) 1.403 6.206 ( 3.252 0.000 -0.000) 3.252 6.364 ( 0.530 0.000 -0.000) 0.530 6.651 ( -2.762 -0.000 0.000) 2.762 6.939 ( 0.237 0.000 -0.000) 0.237 7.096 ( -3.704 -0.000 0.000) 3.704 7.329 ( 16.050 0.000 -0.000) 16.050 8.477 ( 1.269 0.000 -0.000) 1.269 8.976 ( 0.207 0.000 -0.000) 0.207 14.519 ( 5.413 0.000 -0.000) 5.413 14.638 ( -1.053 -0.000 0.000) 1.053 16.914 ( 1.700 0.000 -0.000) 1.700 16.968 ( 1.032 0.000 -0.000) 1.032 17.170 ( -0.527 -0.000 0.000) 0.527 17.313 ( -2.062 -0.000 0.000) 2.062 20.652 ( 0.619 0.000 -0.000) 0.619 20.703 ( -1.238 -0.000 0.000) 1.238 20.945 ( -0.860 -0.000 0.000) 0.860 21.012 ( 0.129 0.000 -0.000) 0.129 21.079 ( 0.039 0.000 -0.000) 0.039 21.119 ( -2.478 -0.000 0.000) 2.478 23.285 ( -0.456 -0.000 0.000) 0.456 23.320 ( 1.027 0.000 -0.000) 1.027 23.388 ( -0.946 -0.000 0.000) 0.946 23.416 ( -1.394 -0.000 0.000) 1.394 23.484 ( 1.129 0.000 -0.000) 1.129 23.512 ( 1.381 0.000 -0.000) 1.381 23.593 ( -1.255 -0.000 0.000) 1.255 23.630 ( -0.217 -0.000 0.000) 0.217 23.879 ( -0.440 -0.000 0.000) 0.440 24.144 ( -0.979 -0.000 0.000) 0.979 24.688 ( 0.025 0.000 -0.000) 0.025 24.862 ( -0.944 -0.000 0.000) 0.944 42.032 ( -1.192 -0.000 0.000) 1.192 42.077 ( -0.370 -0.000 0.000) 0.370 42.710 ( -16.372 -0.000 0.000) 16.372 42.801 ( -22.732 -0.000 0.000) 22.732 43.886 ( -25.420 -0.000 0.000) 25.420 44.740 ( -2.828 -0.000 0.000) 2.828 49.915 ( 10.101 0.000 -0.000) 10.101 50.550 ( 12.237 0.000 -0.000) 12.237 50.670 ( 3.941 0.000 -0.000) 3.941 50.898 ( -3.691 -0.000 0.000) 3.691 51.349 ( 1.627 0.000 -0.000) 1.627 51.422 ( -1.916 -0.000 0.000) 1.916 ======================= Grid point 38 (21/65) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -0.000 0.000 0.000) 0.000 1.980 ( -0.000 0.000 0.000) 0.000 2.213 ( -0.000 0.000 0.000) 0.000 2.566 ( -0.000 -0.000 0.000) 0.000 2.656 ( -0.000 0.000 0.000) 0.000 3.019 ( -0.000 0.000 0.000) 0.000 3.107 ( -0.000 0.000 0.000) 0.000 3.323 ( -0.000 0.000 0.000) 0.000 3.513 ( -0.000 -0.000 0.000) 0.000 3.692 ( -0.000 0.000 0.000) 0.000 3.768 ( 0.000 -0.000 -0.000) 0.000 3.822 ( 0.000 -0.000 -0.000) 0.000 3.882 ( -0.000 0.000 0.000) 0.000 3.992 ( -0.000 0.000 0.000) 0.000 4.317 ( -0.000 0.000 0.000) 0.000 4.514 ( -0.000 0.000 0.000) 0.000 4.881 ( -0.000 0.000 0.000) 0.000 5.129 ( -0.000 0.000 0.000) 0.000 5.430 ( -0.000 0.000 0.000) 0.000 5.481 ( 0.000 -0.000 -0.000) 0.000 6.030 ( -0.000 0.000 0.000) 0.000 6.144 ( -0.000 0.000 0.000) 0.000 6.167 ( 0.000 -0.000 0.000) 0.000 6.360 ( -0.000 0.000 0.000) 0.000 6.690 ( -0.000 0.000 0.000) 0.000 6.930 ( -0.000 0.000 0.000) 0.000 7.038 ( -0.000 0.000 0.000) 0.000 7.155 ( -0.000 0.000 0.000) 0.000 8.456 ( -0.000 0.000 0.000) 0.000 8.973 ( -0.000 0.000 0.000) 0.000 14.439 ( -0.000 0.000 0.000) 0.000 14.654 ( -0.000 0.000 0.000) 0.000 16.889 ( -0.000 0.000 0.000) 0.000 16.953 ( -0.000 0.000 0.000) 0.000 17.178 ( -0.000 0.000 0.000) 0.000 17.344 ( -0.000 0.000 0.000) 0.000 20.642 ( -0.000 0.000 0.000) 0.000 20.721 ( -0.000 0.000 0.000) 0.000 20.956 ( -0.000 0.000 0.000) 0.000 21.011 ( -0.000 0.000 0.000) 0.000 21.077 ( -0.000 0.000 0.000) 0.000 21.158 ( -0.000 0.000 0.000) 0.000 23.292 ( -0.000 0.000 0.000) 0.000 23.306 ( -0.000 0.000 0.000) 0.000 23.398 ( -0.000 0.000 0.000) 0.000 23.461 ( -0.000 0.000 0.000) 0.000 23.464 ( -0.000 -0.000 0.000) 0.000 23.471 ( -0.000 0.000 0.000) 0.000 23.612 ( -0.000 0.000 0.000) 0.000 23.635 ( -0.000 0.000 0.000) 0.000 23.885 ( -0.000 0.000 0.000) 0.000 24.158 ( -0.000 0.000 0.000) 0.000 24.688 ( -0.000 0.000 0.000) 0.000 24.876 ( -0.000 0.000 0.000) 0.000 42.021 ( -0.000 0.000 0.000) 0.000 42.080 ( -0.000 0.000 0.000) 0.000 42.976 ( -0.000 0.000 0.000) 0.000 43.151 ( -0.000 0.000 0.000) 0.000 44.268 ( -0.000 0.000 0.000) 0.000 44.814 ( -0.000 0.000 0.000) 0.000 49.758 ( -0.000 0.000 0.000) 0.000 50.337 ( -0.000 0.000 0.000) 0.000 50.608 ( -0.000 0.000 0.000) 0.000 50.951 ( -0.000 0.000 0.000) 0.000 51.324 ( -0.000 0.000 0.000) 0.000 51.451 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 76 (22/65) ======================= q-point: ( 0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -0.000 0.000 25.414) 25.414 0.885 ( -0.000 0.000 25.414) 25.414 1.773 ( -0.000 0.000 45.041) 45.041 2.471 ( -0.000 0.000 5.225) 5.225 2.471 ( -0.000 0.000 5.225) 5.225 3.213 ( 0.000 0.000 -0.776) 0.776 3.213 ( -0.000 -0.000 -0.776) 0.776 3.417 ( -0.000 0.000 7.548) 7.548 3.538 ( 0.000 0.000 -1.859) 1.859 3.538 ( 0.000 0.000 -1.859) 1.859 3.670 ( 0.000 -0.000 -8.635) 8.635 3.894 ( 0.000 0.000 0.223) 0.223 3.894 ( -0.000 0.000 0.223) 0.223 4.454 ( 0.000 -0.000 -16.108) 16.108 4.572 ( 0.000 -0.000 -3.650) 3.650 4.572 ( 0.000 -0.000 -3.650) 3.650 4.934 ( 0.000 -0.000 -7.593) 7.593 5.043 ( -0.000 0.000 10.532) 10.532 5.209 ( 0.000 0.000 -0.392) 0.392 5.209 ( -0.000 -0.000 -0.392) 0.392 6.211 ( 0.000 -0.000 -2.245) 2.245 6.211 ( 0.000 0.000 -2.245) 2.245 6.258 ( -0.000 0.000 2.638) 2.638 6.308 ( 0.000 -0.000 -0.794) 0.794 6.308 ( -0.000 0.000 -0.794) 0.794 6.827 ( -0.000 0.000 9.380) 9.380 7.016 ( 0.000 -0.000 -1.998) 1.998 7.016 ( 0.000 0.000 -1.998) 1.998 8.723 ( -0.000 0.000 8.616) 8.616 9.591 ( 0.000 -0.000 -16.566) 16.566 14.484 ( 0.000 -0.000 -3.028) 3.028 14.930 ( 0.000 -0.000 -3.561) 3.561 17.041 ( 0.000 -0.000 -3.685) 3.685 17.041 ( 0.000 -0.000 -3.685) 3.685 17.143 ( -0.000 0.000 2.869) 2.869 17.143 ( -0.000 0.000 2.869) 2.869 20.616 ( -0.000 0.000 1.328) 1.328 20.698 ( -0.000 0.000 1.218) 1.218 20.883 ( -0.000 0.000 1.980) 1.980 20.883 ( -0.000 0.000 1.980) 1.980 21.037 ( -0.000 0.000 0.877) 0.877 21.037 ( -0.000 0.000 0.877) 0.877 23.289 ( -0.000 0.000 0.919) 0.919 23.289 ( -0.000 0.000 0.919) 0.919 23.394 ( 0.000 -0.000 -0.697) 0.697 23.394 ( -0.000 -0.000 -0.697) 0.697 23.467 ( 0.000 0.000 0.188) 0.188 23.467 ( -0.000 -0.000 0.188) 0.188 23.593 ( -0.000 0.000 1.291) 1.291 23.593 ( -0.000 0.000 1.291) 1.291 23.919 ( -0.000 0.000 4.694) 4.694 24.092 ( 0.000 -0.000 -4.967) 4.967 24.749 ( 0.000 -0.000 -1.733) 1.733 24.755 ( -0.000 0.000 3.217) 3.217 41.211 ( -0.000 0.000 17.642) 17.642 41.211 ( -0.000 0.000 17.642) 17.642 42.554 ( -0.000 0.000 5.579) 5.579 42.907 ( -0.000 0.000 18.395) 18.395 42.907 ( -0.000 0.000 18.395) 18.395 44.211 ( -0.000 0.000 2.736) 2.736 50.419 ( 0.000 0.000 -4.964) 4.964 50.419 ( 0.000 -0.000 -4.964) 4.964 50.904 ( 0.000 -0.000 -4.746) 4.746 50.904 ( 0.000 -0.000 -4.746) 4.746 51.276 ( 0.000 -0.000 -1.081) 1.081 51.406 ( 0.000 -0.000 -2.456) 2.456 ======================= Grid point 77 (23/65) ======================= q-point: ( 0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 12.207 7.048 20.699) 25.043 1.278 ( 8.198 4.733 21.045) 23.076 2.200 ( -3.921 -2.264 26.216) 26.605 2.511 ( 2.431 1.404 12.365) 12.680 2.597 ( 1.029 0.594 7.333) 7.429 3.148 ( -1.278 -0.738 -4.853) 5.073 3.259 ( 4.468 2.579 -2.452) 5.712 3.435 ( -3.397 -1.961 9.759) 10.518 3.506 ( 1.071 0.618 -21.737) 21.773 3.547 ( 0.827 0.478 -0.199) 0.976 3.590 ( 3.493 2.017 -0.274) 4.043 3.768 ( -4.470 -2.581 -2.312) 5.656 4.039 ( 6.530 3.770 1.891) 7.774 4.296 ( -1.008 -0.582 -9.262) 9.335 4.384 ( -7.780 -4.492 -4.930) 10.247 4.541 ( -4.747 -2.740 -3.162) 6.328 4.854 ( -2.307 -1.332 -3.985) 4.793 5.041 ( -7.815 -4.512 2.764) 9.437 5.260 ( 4.667 2.695 8.121) 9.747 5.318 ( 6.906 3.987 1.708) 8.155 6.114 ( -4.618 -2.666 -3.225) 6.232 6.147 ( -4.777 -2.758 -3.466) 6.514 6.280 ( 0.275 0.159 3.381) 3.396 6.280 ( 0.083 0.048 -1.386) 1.389 6.425 ( 6.907 3.988 2.939) 8.500 6.924 ( -2.327 -1.343 -0.097) 2.689 6.972 ( 1.822 1.052 6.355) 6.694 7.083 ( 6.500 3.753 -5.289) 9.182 8.819 ( 0.527 0.304 7.473) 7.498 9.321 ( -5.956 -3.439 -17.641) 18.934 14.461 ( 1.338 0.772 -2.970) 3.348 14.866 ( -2.054 -1.186 -3.918) 4.580 16.994 ( 0.484 0.280 -4.337) 4.372 17.007 ( 0.898 0.518 -4.412) 4.532 17.165 ( -0.975 -0.563 3.171) 3.365 17.184 ( -0.265 -0.153 4.212) 4.223 20.631 ( -0.057 -0.033 1.265) 1.267 20.709 ( -0.323 -0.187 1.196) 1.253 20.912 ( 0.581 0.336 2.285) 2.381 20.922 ( 1.570 0.907 2.060) 2.744 21.034 ( -0.453 -0.262 0.046) 0.526 21.065 ( 0.634 0.366 1.242) 1.442 23.297 ( 0.131 0.075 0.876) 0.889 23.312 ( 0.568 0.328 1.298) 1.454 23.367 ( -0.702 -0.405 -1.213) 1.459 23.414 ( 1.678 0.969 -0.821) 2.104 23.451 ( -1.135 -0.655 0.127) 1.317 23.488 ( 1.409 0.814 -0.224) 1.643 23.605 ( -0.481 -0.278 1.320) 1.433 23.610 ( -0.226 -0.131 1.715) 1.735 23.978 ( 0.240 0.139 5.316) 5.323 24.025 ( -0.971 -0.560 -4.696) 4.828 24.732 ( 0.349 0.201 -2.040) 2.079 24.789 ( -0.216 -0.125 3.242) 3.252 41.369 ( -0.921 -0.532 19.467) 19.496 41.551 ( 8.137 4.698 18.916) 21.121 42.598 ( -3.886 -2.244 6.836) 8.177 42.904 ( -18.264 -10.545 22.254) 30.659 43.219 ( 6.497 3.751 25.382) 26.467 44.327 ( 5.886 3.399 -2.038) 7.096 50.368 ( 3.152 1.820 -5.058) 6.232 50.412 ( 3.205 1.850 -6.617) 7.581 50.806 ( -1.175 -0.678 -5.620) 5.781 50.887 ( 1.297 0.749 -4.887) 5.111 51.273 ( 0.938 0.542 -0.761) 1.324 51.388 ( 0.896 0.517 -2.177) 2.411 ======================= Grid point 78 (24/65) ======================= q-point: ( 0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 5.144 2.970 14.544) 15.710 1.732 ( 16.885 9.748 15.551) 24.939 2.203 ( -9.896 -5.713 6.910) 13.353 2.578 ( -7.724 -4.459 -3.769) 9.682 2.768 ( 4.031 2.327 11.597) 12.496 3.071 ( -0.378 -0.218 -5.431) 5.449 3.282 ( 4.275 2.468 -21.035) 21.606 3.338 ( 5.529 3.192 -1.153) 6.488 3.553 ( -0.211 -0.122 12.761) 12.764 3.568 ( -0.360 -0.208 -1.396) 1.457 3.626 ( 4.189 2.418 -1.434) 5.045 3.717 ( 2.603 1.503 -0.710) 3.089 4.134 ( 0.066 0.038 -1.494) 1.496 4.193 ( -4.630 -2.673 -1.943) 5.688 4.240 ( -1.375 -0.794 1.902) 2.478 4.345 ( -10.865 -6.273 -3.610) 13.055 4.769 ( -2.664 -1.538 -1.100) 3.266 4.911 ( -7.037 -4.063 0.915) 8.177 5.483 ( 6.941 4.008 10.675) 13.349 5.491 ( 8.122 4.689 3.053) 9.863 5.969 ( -6.759 -3.902 -3.632) 8.608 5.996 ( -6.760 -3.903 -3.916) 8.734 6.273 ( 0.602 0.347 -1.355) 1.523 6.328 ( -0.161 -0.093 4.990) 4.993 6.597 ( 6.925 3.998 4.132) 9.001 6.819 ( -3.667 -2.117 -5.150) 6.667 7.103 ( 2.708 1.563 -6.493) 7.206 7.149 ( 5.453 3.148 9.740) 11.598 8.907 ( 1.363 0.787 5.044) 5.284 9.017 ( -5.128 -2.961 -17.455) 18.432 14.474 ( 3.256 1.880 -2.106) 4.310 14.777 ( -2.923 -1.687 -3.298) 4.718 16.965 ( 1.393 0.804 -3.981) 4.294 16.981 ( 1.266 0.731 -3.789) 4.061 17.176 ( -1.321 -0.763 2.740) 3.136 17.222 ( -0.924 -0.533 4.343) 4.472 20.642 ( -0.007 -0.004 0.899) 0.899 20.711 ( -0.841 -0.486 0.940) 1.351 20.954 ( 1.053 0.608 2.424) 2.712 20.976 ( 1.691 0.976 1.415) 2.411 21.017 ( -1.011 -0.584 -0.359) 1.221 21.082 ( -0.279 -0.161 0.980) 1.032 23.313 ( 0.577 0.333 0.648) 0.929 23.336 ( 0.448 0.259 1.076) 1.194 23.340 ( -0.562 -0.325 -1.395) 1.539 23.420 ( -0.993 -0.573 -0.488) 1.246 23.448 ( 1.533 0.885 0.245) 1.786 23.510 ( 1.482 0.856 -0.735) 1.863 23.602 ( -1.328 -0.767 1.257) 1.983 23.621 ( -0.604 -0.349 1.642) 1.784 23.959 ( -0.737 -0.426 -4.057) 4.146 24.041 ( 0.123 0.071 5.035) 5.037 24.716 ( 0.454 0.262 -2.097) 2.162 24.817 ( -0.460 -0.266 2.832) 2.882 41.604 ( 3.101 1.790 18.145) 18.495 41.864 ( 4.510 2.604 14.017) 14.953 42.540 ( -11.286 -6.516 8.119) 15.355 42.781 ( -19.456 -11.233 18.423) 29.053 43.697 ( 11.381 6.571 27.649) 30.613 44.281 ( -6.189 -3.573 -7.100) 10.074 50.368 ( 2.439 1.408 -10.419) 10.793 50.420 ( 6.793 3.922 -2.687) 8.292 50.767 ( 2.135 1.233 -2.602) 3.585 50.844 ( -0.158 -0.091 -4.226) 4.230 51.294 ( 1.887 1.089 -0.272) 2.196 51.388 ( 1.100 0.635 -1.550) 2.004 ======================= Grid point 79 (25/65) ======================= q-point: ( 0.50 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -3.301 -1.906 1.035) 3.950 2.012 ( -11.816 -6.822 5.555) 14.731 2.210 ( 11.771 6.796 8.580) 16.074 2.298 ( -7.056 -4.074 -11.800) 14.340 2.902 ( 5.466 3.156 0.756) 6.356 2.977 ( -3.870 -2.234 -3.723) 5.816 3.203 ( -0.098 -0.056 -8.129) 8.130 3.413 ( 3.358 1.939 -0.606) 3.924 3.491 ( -1.878 -1.085 -5.889) 6.275 3.537 ( -0.122 -0.071 -5.152) 5.154 3.796 ( 3.249 1.876 4.063) 5.530 3.804 ( 1.928 1.113 0.229) 2.238 4.034 ( -7.213 -4.165 0.036) 8.329 4.118 ( -0.283 -0.163 6.694) 6.702 4.168 ( -3.503 -2.022 -1.506) 4.316 4.339 ( 4.439 2.563 6.383) 8.186 4.764 ( 0.703 0.406 3.993) 4.075 4.831 ( -3.242 -1.872 2.709) 4.621 5.665 ( 5.946 3.433 2.893) 7.451 5.713 ( 5.301 3.061 3.956) 7.289 5.783 ( -8.045 -4.645 -3.938) 10.090 5.829 ( -5.367 -3.098 -0.369) 6.208 6.268 ( 0.334 0.193 -0.982) 1.055 6.383 ( -0.901 -0.520 6.500) 6.582 6.688 ( -3.501 -2.021 -5.919) 7.168 6.764 ( 5.737 3.312 4.212) 7.850 7.048 ( -1.189 -0.687 -5.442) 5.612 7.383 ( 7.905 4.564 9.589) 13.239 8.756 ( -2.967 -1.713 -15.165) 15.547 8.975 ( 1.870 1.079 1.382) 2.563 14.537 ( 5.239 3.025 -0.904) 6.117 14.692 ( -2.746 -1.586 -2.129) 3.820 16.957 ( 1.980 1.143 -3.071) 3.828 16.972 ( 1.543 0.891 -2.456) 3.034 17.177 ( -1.372 -0.792 1.883) 2.461 17.244 ( -1.568 -0.905 3.597) 4.027 20.652 ( 0.189 0.109 0.562) 0.602 20.699 ( -1.319 -0.761 0.577) 1.629 20.979 ( -1.595 -0.921 -0.446) 1.895 21.003 ( 1.276 0.736 2.419) 2.832 21.021 ( 1.029 0.594 0.408) 1.256 21.073 ( -1.509 -0.871 0.396) 1.787 23.310 ( -0.525 -0.303 -1.293) 1.428 23.337 ( 1.032 0.596 0.196) 1.207 23.352 ( 0.360 0.208 0.669) 0.788 23.390 ( -1.613 -0.931 -0.156) 1.869 23.488 ( 1.881 1.086 0.702) 2.283 23.524 ( 1.036 0.598 -1.234) 1.719 23.586 ( -1.797 -1.037 1.264) 2.429 23.624 ( -0.790 -0.456 1.200) 1.507 23.908 ( -0.487 -0.281 -3.046) 3.098 24.089 ( -0.306 -0.177 3.728) 3.745 24.702 ( 0.340 0.196 -1.726) 1.770 24.833 ( -0.796 -0.460 2.064) 2.259 41.869 ( 5.169 2.985 14.683) 15.850 42.007 ( -2.905 -1.677 7.700) 8.399 42.371 ( -16.705 -9.645 10.095) 21.771 42.575 ( -20.652 -11.924 10.950) 26.241 43.942 ( -17.544 -10.129 -12.168) 23.632 44.190 ( 10.248 5.917 21.708) 24.724 50.302 ( 4.181 2.414 -10.891) 11.913 50.549 ( 7.592 4.383 0.916) 8.814 50.794 ( -0.504 -0.291 -3.444) 3.493 50.807 ( 3.243 1.872 -0.538) 3.783 51.334 ( 2.283 1.318 0.132) 2.640 51.385 ( 0.141 0.081 -1.160) 1.172 ======================= Grid point 80 (26/65) ======================= q-point: (-0.38 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -13.581 -7.841 -14.071) 21.070 1.762 ( -17.141 -9.896 0.514) 19.799 2.192 ( 0.061 0.035 0.912) 0.915 2.396 ( -0.745 -0.430 3.367) 3.476 2.767 ( -20.275 -11.706 -1.853) 23.485 3.074 ( -2.019 -1.166 -2.108) 3.143 3.075 ( 12.128 7.002 0.327) 14.008 3.366 ( -2.295 -1.325 -9.252) 9.624 3.455 ( 6.308 3.642 -5.606) 9.192 3.535 ( 4.386 2.532 -1.669) 5.332 3.754 ( -1.825 -1.053 -2.420) 3.208 3.800 ( -2.913 -1.682 0.119) 3.366 3.986 ( -2.115 -1.221 -0.399) 2.474 4.204 ( -1.461 -0.844 7.991) 8.167 4.216 ( 5.725 3.305 5.082) 8.338 4.530 ( 7.543 4.355 4.669) 9.882 4.855 ( 1.627 0.940 3.795) 4.235 4.875 ( 3.778 2.181 7.225) 8.439 5.542 ( -10.212 -5.896 -4.127) 12.493 5.599 ( -6.861 -3.961 -5.203) 9.478 5.813 ( 4.832 2.790 1.919) 5.900 5.953 ( 6.531 3.771 4.432) 8.748 6.269 ( 0.769 0.444 -0.730) 1.149 6.432 ( -1.942 -1.121 6.504) 6.879 6.561 ( -3.175 -1.833 -5.405) 6.532 6.900 ( 4.079 2.355 3.298) 5.750 6.949 ( -3.873 -2.236 -3.056) 5.416 7.648 ( 9.430 5.445 8.144) 13.598 8.581 ( -0.828 -0.478 -9.399) 9.448 9.000 ( 1.417 0.818 -2.565) 3.043 14.630 ( -2.046 -1.181 -1.102) 2.606 14.644 ( 6.582 3.800 -0.028) 7.601 16.968 ( 2.165 1.250 -1.853) 3.112 16.984 ( 1.619 0.935 -0.770) 2.022 17.168 ( -1.118 -0.646 0.746) 1.491 17.242 ( -2.032 -1.173 2.143) 3.177 20.662 ( 0.301 0.174 0.360) 0.500 20.675 ( -1.616 -0.933 0.158) 1.873 20.941 ( -1.951 -1.126 -0.294) 2.271 21.026 ( -2.358 -1.361 0.295) 2.739 21.033 ( 0.283 0.163 -0.510) 0.606 21.063 ( 1.040 0.600 1.930) 2.273 23.287 ( -0.363 -0.209 -1.147) 1.221 23.354 ( -1.515 -0.874 0.249) 1.766 23.359 ( 1.196 0.690 -0.168) 1.391 23.373 ( 0.396 0.228 0.580) 0.739 23.518 ( -0.255 -0.148 -1.146) 1.183 23.524 ( 0.797 0.460 0.778) 1.205 23.570 ( -1.005 -0.580 0.876) 1.454 23.623 ( -0.199 -0.115 0.739) 0.774 23.873 ( -0.459 -0.265 -1.595) 1.680 24.109 ( -0.853 -0.492 1.633) 1.907 24.691 ( 0.119 0.069 -0.852) 0.863 24.833 ( -1.091 -0.630 1.108) 1.677 41.884 ( -16.159 -9.329 2.500) 18.825 42.076 ( -2.375 -1.371 6.902) 7.427 42.215 ( -13.097 -7.562 13.289) 20.132 42.278 ( -15.959 -9.214 7.237) 19.798 43.419 ( -21.173 -12.224 -13.124) 27.748 44.526 ( 6.046 3.491 10.974) 13.007 50.300 ( 6.679 3.856 -7.553) 10.794 50.679 ( 1.821 1.051 0.731) 2.226 50.771 ( 3.506 2.024 -0.978) 4.165 50.856 ( 2.546 1.470 -0.717) 3.026 51.367 ( -0.875 -0.505 -0.808) 1.294 51.378 ( 2.017 1.165 0.388) 2.361 ======================= Grid point 81 (27/65) ======================= q-point: (-0.25 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -17.287 -9.980 0.449) 19.966 1.391 ( -21.937 -12.665 -1.153) 25.357 2.195 ( -18.786 -10.846 -3.473) 21.968 2.270 ( -12.780 -7.379 7.141) 16.394 2.349 ( -3.020 -1.744 -0.847) 3.589 3.101 ( 2.114 1.220 3.412) 4.195 3.241 ( 1.348 0.778 -10.057) 10.176 3.258 ( 5.070 2.927 1.709) 6.098 3.518 ( 2.938 1.696 -2.000) 3.938 3.674 ( -3.568 -2.060 -3.227) 5.234 3.695 ( 15.622 9.019 -3.111) 18.305 3.740 ( -3.289 -1.899 1.151) 3.968 3.967 ( -0.893 -0.516 2.434) 2.643 4.246 ( -1.470 -0.848 5.345) 5.608 4.380 ( 3.873 2.236 5.263) 6.906 4.657 ( 4.508 2.603 -2.819) 5.920 4.957 ( 5.042 2.911 2.235) 6.236 5.021 ( 1.964 1.134 5.806) 6.233 5.334 ( -5.595 -3.231 -3.142) 7.185 5.420 ( -5.738 -3.313 -5.690) 8.734 5.912 ( 3.735 2.157 2.100) 4.797 6.101 ( 6.434 3.715 0.478) 7.445 6.271 ( 0.522 0.302 -1.789) 1.888 6.448 ( -3.330 -1.922 5.066) 6.359 6.454 ( -2.786 -1.608 -3.581) 4.814 6.837 ( -5.172 -2.986 -0.572) 5.999 6.998 ( 2.415 1.394 2.663) 3.856 7.883 ( 9.801 5.659 -1.424) 11.407 8.517 ( 0.416 0.240 -1.594) 1.665 8.984 ( 0.192 0.111 -0.587) 0.628 14.588 ( -1.363 -0.787 -0.782) 1.757 14.771 ( 6.671 3.852 0.001) 7.703 16.994 ( 1.948 1.125 -0.490) 2.302 17.013 ( 1.401 0.809 0.948) 1.875 17.153 ( -0.597 -0.345 -0.569) 0.894 17.216 ( -2.134 -1.232 0.237) 2.476 20.644 ( -1.610 -0.930 -0.144) 1.865 20.671 ( 0.207 0.120 0.330) 0.408 20.904 ( -1.844 -1.065 0.160) 2.136 20.971 ( -3.307 -1.909 0.160) 3.822 21.024 ( -0.123 -0.071 -0.961) 0.972 21.108 ( 1.267 0.731 1.414) 2.034 23.272 ( -0.093 -0.054 -0.630) 0.639 23.326 ( -1.626 -0.939 0.438) 1.928 23.375 ( 0.978 0.565 -0.731) 1.346 23.396 ( 0.924 0.534 1.030) 1.483 23.496 ( -0.967 -0.559 -0.311) 1.160 23.529 ( -0.904 -0.522 0.252) 1.074 23.567 ( -0.107 -0.062 0.209) 0.243 23.637 ( 0.968 0.559 0.151) 1.128 23.855 ( -0.558 -0.322 0.122) 0.656 24.095 ( -1.248 -0.721 -0.245) 1.462 24.689 ( -0.074 -0.043 0.303) 0.315 24.818 ( -1.169 -0.675 0.156) 1.359 41.545 ( -20.864 -12.046 1.987) 24.174 41.722 ( -24.623 -14.216 -2.970) 28.587 42.146 ( -12.090 -6.980 15.952) 21.199 42.371 ( 3.720 2.148 10.193) 11.061 42.936 ( -16.305 -9.414 -8.450) 20.637 44.674 ( 3.456 1.995 0.622) 4.038 50.371 ( 6.404 3.697 -2.494) 7.804 50.627 ( -2.638 -1.523 -3.696) 4.789 50.884 ( 2.279 1.316 -2.051) 3.337 50.888 ( 4.781 2.760 2.700) 6.146 51.339 ( -1.202 -0.694 -0.517) 1.481 51.414 ( 1.423 0.822 0.322) 1.674 ======================= Grid point 82 (28/65) ======================= q-point: (-0.12 0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -16.342 -9.435 25.492) 31.716 0.958 ( -23.862 -13.777 3.290) 27.749 1.610 ( -35.451 -20.467 11.192) 42.437 2.316 ( 0.329 0.190 0.107) 0.394 2.340 ( 2.326 1.343 5.686) 6.288 3.170 ( 2.478 1.431 0.046) 2.861 3.211 ( 3.189 1.841 -3.970) 5.415 3.317 ( 0.176 0.102 0.171) 0.266 3.519 ( -0.548 -0.316 -0.129) 0.646 3.592 ( -1.402 -0.809 -0.338) 1.654 3.718 ( -0.546 -0.315 1.218) 1.372 3.940 ( 9.142 5.278 -0.109) 10.557 3.979 ( -1.976 -1.141 2.031) 3.055 4.298 ( 5.056 2.919 0.027) 5.839 4.450 ( -2.266 -1.308 6.428) 6.940 4.657 ( 2.459 1.420 -7.319) 7.851 5.019 ( -3.472 -2.005 0.345) 4.024 5.070 ( 5.289 3.053 -0.027) 6.107 5.245 ( -3.660 -2.113 -10.546) 11.361 5.322 ( 3.422 1.976 -0.519) 3.985 6.015 ( 4.113 2.375 3.789) 6.076 6.205 ( 5.115 2.953 -1.376) 6.065 6.237 ( -0.745 -0.430 -3.393) 3.500 6.383 ( -1.952 -1.127 -1.467) 2.690 6.420 ( -4.735 -2.734 3.497) 6.490 6.758 ( -4.392 -2.536 3.092) 5.939 7.050 ( 0.689 0.398 1.356) 1.572 7.831 ( -1.056 -0.610 -29.800) 29.825 8.548 ( 0.508 0.293 4.815) 4.851 9.117 ( 7.595 4.385 16.906) 19.045 14.556 ( -0.957 -0.553 -1.310) 1.714 14.880 ( 5.274 3.045 -0.914) 6.158 17.028 ( 1.393 0.804 0.724) 1.764 17.053 ( 0.769 0.444 2.329) 2.493 17.134 ( 0.029 0.017 -1.804) 1.804 17.171 ( -1.729 -0.998 -1.715) 2.632 20.617 ( -1.152 -0.665 0.047) 1.331 20.677 ( 0.040 0.023 0.521) 0.523 20.878 ( -1.409 -0.813 0.797) 1.811 20.916 ( -2.963 -1.711 0.728) 3.498 21.013 ( 0.115 0.066 -0.686) 0.699 21.128 ( 0.040 0.023 -1.031) 1.032 23.269 ( 0.147 0.085 -0.049) 0.177 23.305 ( -1.332 -0.769 0.704) 1.691 23.380 ( 0.643 0.371 -1.018) 1.260 23.427 ( 0.980 0.566 1.131) 1.600 23.480 ( -0.645 -0.373 0.289) 0.799 23.503 ( -1.674 -0.967 -0.492) 1.995 23.570 ( 0.223 0.129 0.151) 0.298 23.643 ( 0.144 0.083 -2.279) 2.285 23.856 ( -0.578 -0.334 1.870) 1.985 24.075 ( -0.107 -0.062 0.330) 0.352 24.696 ( -0.135 -0.078 1.486) 1.494 24.795 ( -0.948 -0.548 -0.653) 1.275 41.216 ( -16.719 -9.653 5.430) 20.055 41.275 ( -19.265 -11.123 0.396) 22.249 42.152 ( -9.015 -5.205 23.946) 26.111 42.544 ( 2.221 1.282 9.986) 10.310 42.641 ( -8.477 -4.894 -2.338) 10.063 44.672 ( 0.533 0.308 -9.425) 9.445 50.464 ( 3.514 2.029 1.720) 4.408 50.531 ( -2.213 -1.278 -4.715) 5.363 50.906 ( 3.229 1.864 -2.860) 4.699 50.973 ( 1.669 0.964 1.166) 2.253 51.313 ( -0.896 -0.517 -0.556) 1.174 51.435 ( 0.724 0.418 -0.277) 0.881 ======================= Grid point 85 (29/65) ======================= q-point: ( 0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -0.000 1.622 21.688) 21.749 1.534 ( -0.000 7.809 19.603) 21.101 2.510 ( 0.000 -5.471 5.136) 7.504 2.561 ( -0.000 1.856 19.923) 20.009 2.763 ( -0.000 7.321 13.660) 15.498 3.072 ( 0.000 -5.777 -22.833) 23.553 3.104 ( 0.000 -2.841 -3.781) 4.729 3.280 ( 0.000 6.281 -15.901) 17.096 3.509 ( -0.000 1.374 -0.470) 1.452 3.510 ( 0.000 -4.381 7.809) 8.954 3.677 ( -0.000 6.656 3.642) 7.587 3.773 ( 0.000 -2.830 -1.277) 3.105 3.985 ( 0.000 -2.142 -1.077) 2.398 4.257 ( 0.000 -9.690 -5.187) 10.990 4.297 ( -0.000 5.144 -1.656) 5.404 4.569 ( -0.000 5.015 -6.284) 8.040 4.813 ( 0.000 -5.153 -1.777) 5.451 5.150 ( 0.000 -0.979 1.101) 1.474 5.214 ( 0.000 -3.432 5.776) 6.719 5.407 ( -0.000 6.180 10.175) 11.904 6.090 ( 0.000 -3.735 -6.618) 7.599 6.108 ( 0.000 -1.475 -2.579) 2.972 6.234 ( 0.000 -4.114 0.917) 4.215 6.368 ( -0.000 0.570 5.426) 5.456 6.448 ( -0.000 8.709 3.311) 9.317 6.921 ( 0.000 -0.950 -6.074) 6.148 7.002 ( -0.000 1.718 -0.391) 1.762 7.066 ( -0.000 2.246 7.272) 7.612 8.888 ( -0.000 0.104 5.465) 5.465 9.099 ( 0.000 -4.712 -21.098) 21.618 14.426 ( -0.000 1.163 -2.640) 2.885 14.820 ( 0.000 -1.881 -4.304) 4.697 16.942 ( 0.000 -0.014 -3.854) 3.854 16.964 ( 0.000 1.479 -3.995) 4.260 17.196 ( 0.000 -1.828 2.998) 3.511 17.236 ( -0.000 0.797 3.876) 3.957 20.645 ( -0.000 -0.492 1.308) 1.398 20.723 ( -0.000 -0.270 1.046) 1.080 20.937 ( -0.000 0.521 2.182) 2.244 20.948 ( -0.000 1.845 2.332) 2.973 21.030 ( 0.000 -1.961 0.607) 2.053 21.088 ( -0.000 1.849 1.029) 2.116 23.303 ( 0.000 -0.621 1.034) 1.206 23.331 ( -0.000 1.276 1.115) 1.695 23.351 ( 0.000 -1.276 -1.045) 1.649 23.407 ( -0.000 2.260 -0.935) 2.445 23.461 ( 0.000 -0.058 0.003) 0.058 23.475 ( -0.000 0.330 -0.254) 0.416 23.621 ( 0.000 -0.880 1.663) 1.881 23.631 ( -0.000 -0.182 1.727) 1.737 23.973 ( 0.000 -0.754 -4.437) 4.501 24.038 ( -0.000 0.401 5.149) 5.164 24.709 ( 0.000 0.342 -1.882) 1.913 24.824 ( -0.000 -0.144 2.945) 2.949 41.626 ( -0.000 -1.050 21.512) 21.538 41.734 ( -0.000 1.581 21.201) 21.260 42.712 ( -0.000 0.675 8.009) 8.038 43.261 ( 0.000 -8.238 17.334) 19.192 43.434 ( -0.000 2.524 29.618) 29.725 44.325 ( -0.000 6.411 -0.461) 6.428 50.295 ( 0.000 0.330 -3.210) 3.227 50.318 ( 0.000 -0.450 -8.402) 8.414 50.731 ( 0.000 -1.715 -5.742) 5.993 50.846 ( -0.000 5.108 -5.562) 7.552 51.266 ( -0.000 0.808 -0.201) 0.832 51.367 ( -0.000 1.785 -1.839) 2.563 ======================= Grid point 86 (30/65) ======================= q-point: ( 0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 6.911 -1.045 14.995) 16.544 1.808 ( 5.741 4.708 15.485) 17.173 2.424 ( -11.157 -2.648 5.214) 12.597 2.557 ( -11.311 -3.770 -16.184) 20.102 2.857 ( 1.879 -1.044 3.636) 4.224 2.977 ( 8.330 1.100 0.206) 8.405 3.054 ( -1.587 -0.269 -4.486) 4.766 3.272 ( 7.265 3.244 -1.299) 8.061 3.515 ( 0.501 -1.885 -1.793) 2.650 3.577 ( 2.566 -0.194 0.186) 2.581 3.715 ( -4.695 0.404 6.471) 8.005 3.759 ( -0.537 9.677 -1.271) 9.775 3.973 ( 6.738 -11.580 0.372) 13.403 4.145 ( 2.364 -6.226 -2.777) 7.216 4.354 ( -3.879 12.123 0.257) 12.731 4.445 ( -8.947 1.444 -8.032) 12.110 4.755 ( -0.135 -6.319 1.824) 6.579 5.047 ( -10.342 0.004 2.999) 10.769 5.375 ( 11.558 -1.994 3.897) 12.359 5.597 ( 2.504 6.549 9.876) 12.112 5.952 ( -2.769 -5.708 -6.792) 9.294 6.032 ( -6.455 -0.419 -1.411) 6.621 6.227 ( 1.945 -2.467 -0.179) 3.147 6.426 ( -1.954 -0.092 7.835) 8.075 6.605 ( 5.115 7.825 4.037) 10.183 6.801 ( -3.818 -1.940 -6.318) 7.632 7.028 ( 2.197 1.865 -2.765) 3.994 7.187 ( 4.324 1.111 6.525) 7.906 8.821 ( -1.355 -3.791 -19.344) 19.758 8.942 ( 0.570 0.173 3.105) 3.162 14.427 ( 2.176 1.730 -1.681) 3.249 14.750 ( -1.135 -1.885 -3.775) 4.369 16.913 ( 0.903 0.286 -2.699) 2.861 16.942 ( 0.578 1.575 -2.751) 3.222 17.204 ( -0.534 -1.863 1.999) 2.784 17.277 ( -0.688 0.711 3.136) 3.289 20.652 ( -0.083 -0.644 1.036) 1.223 20.726 ( -0.538 -0.472 0.685) 0.991 20.968 ( 0.700 0.262 1.924) 2.064 20.993 ( 0.406 1.963 1.896) 2.760 21.016 ( -0.370 -1.846 0.372) 1.919 21.107 ( -0.750 1.302 0.847) 1.725 23.312 ( 0.466 -0.479 0.763) 1.014 23.326 ( -0.432 -0.923 -1.097) 1.497 23.351 ( -0.042 1.335 0.485) 1.421 23.420 ( 0.186 1.315 -0.627) 1.469 23.453 ( -0.388 0.280 0.661) 0.816 23.488 ( 1.331 0.369 -0.426) 1.445 23.624 ( -0.753 -1.148 1.335) 1.915 23.643 ( -0.435 -0.546 1.377) 1.544 23.921 ( -0.333 -0.417 -3.318) 3.360 24.094 ( -0.046 0.446 3.963) 3.988 24.695 ( 0.130 0.278 -1.300) 1.336 24.850 ( -0.360 -0.236 2.342) 2.381 41.829 ( -1.685 -1.130 20.251) 20.353 41.990 ( 3.170 -3.185 18.026) 18.578 42.754 ( -8.202 -0.590 9.019) 12.205 43.186 ( -19.281 -9.298 13.967) 25.560 43.896 ( 9.737 6.353 25.058) 27.624 44.319 ( -7.182 3.686 -1.649) 8.239 50.201 ( 2.342 -4.394 -11.160) 12.221 50.326 ( 6.155 2.292 -0.829) 6.620 50.690 ( 2.695 -0.505 -3.148) 4.175 50.828 ( -0.642 5.815 -4.868) 7.611 51.283 ( 1.062 1.101 0.432) 1.589 51.372 ( 0.438 2.435 -1.160) 2.733 ======================= Grid point 87 (31/65) ======================= q-point: ( 0.50 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -5.165 -7.181 -2.233) 9.123 2.108 ( 7.019 -4.212 4.152) 9.178 2.236 ( -8.999 -2.857 1.186) 9.516 2.339 ( -4.436 6.535 5.564) 9.661 2.855 ( 0.769 -2.800 -1.768) 3.399 2.939 ( -1.947 -1.607 -5.076) 5.669 3.135 ( 4.569 -1.968 4.000) 6.384 3.389 ( 3.614 1.746 1.522) 4.293 3.448 ( -0.525 -1.018 -5.014) 5.143 3.491 ( -5.322 -2.938 -4.117) 7.342 3.776 ( 1.470 3.216 -0.703) 3.605 3.842 ( 0.761 7.449 -1.571) 7.651 4.001 ( 2.417 -8.069 2.939) 8.921 4.141 ( 2.097 -2.635 -1.380) 3.639 4.248 ( -3.081 2.374 0.735) 3.958 4.391 ( -2.904 8.923 -1.687) 9.534 4.764 ( 1.783 -5.600 5.515) 8.059 4.979 ( -7.447 4.275 5.364) 10.124 5.555 ( 11.214 -3.205 3.027) 12.049 5.722 ( -1.660 -0.776 -2.660) 3.230 5.805 ( -3.621 -2.430 -1.858) 4.740 5.922 ( -6.585 3.454 1.508) 7.587 6.237 ( 2.018 -1.228 -0.629) 2.445 6.477 ( -1.979 -3.022 7.635) 8.447 6.665 ( -3.796 -0.783 -5.450) 6.687 6.780 ( 4.552 6.982 3.565) 9.066 7.020 ( -0.885 1.171 -2.416) 2.827 7.354 ( 9.868 1.008 3.897) 10.657 8.598 ( -0.338 -2.002 -13.210) 13.365 8.973 ( 0.612 0.191 0.580) 0.865 14.479 ( 4.622 2.260 -0.573) 5.177 14.681 ( -1.432 -1.340 -2.749) 3.377 16.912 ( 1.625 0.467 -1.290) 2.127 16.945 ( 1.077 1.404 -1.002) 2.033 17.196 ( -0.800 -1.494 0.673) 1.823 17.295 ( -1.489 0.336 1.791) 2.354 20.657 ( 0.068 -0.465 0.752) 0.887 20.715 ( -1.106 -0.654 0.259) 1.311 20.983 ( -0.687 -1.787 0.228) 1.928 21.008 ( 0.613 -0.288 1.285) 1.453 21.036 ( 0.385 1.828 1.366) 2.314 21.103 ( -1.975 0.541 0.448) 2.096 23.301 ( -0.592 -0.557 -0.999) 1.288 23.325 ( 0.977 -0.328 0.304) 1.074 23.364 ( -0.039 1.289 0.220) 1.308 23.406 ( -1.517 -0.018 -0.257) 1.539 23.482 ( 1.575 0.662 1.228) 2.104 23.502 ( 1.040 0.335 -0.599) 1.246 23.612 ( -1.383 -1.196 0.848) 2.015 23.641 ( -0.730 -0.654 0.676) 1.190 23.885 ( -0.382 -0.044 -1.781) 1.822 24.127 ( -0.419 0.267 1.918) 1.981 24.689 ( 0.063 0.056 -0.296) 0.308 24.861 ( -0.806 -0.400 1.449) 1.705 42.016 ( 0.670 -2.578 16.428) 16.643 42.139 ( -2.014 -6.922 13.936) 15.690 42.676 ( -15.583 -2.948 10.330) 18.927 42.930 ( -24.053 -9.635 8.639) 27.313 44.000 ( -15.661 -4.700 -8.054) 18.227 44.391 ( 1.747 10.279 17.274) 20.177 50.102 ( 6.264 -4.407 -9.268) 12.023 50.470 ( 9.731 3.368 1.612) 10.423 50.710 ( 4.283 -0.656 -2.305) 4.908 50.814 ( -1.192 5.483 -3.611) 6.672 51.320 ( 1.789 1.125 0.803) 2.261 51.382 ( -0.291 1.982 -0.791) 2.154 ======================= Grid point 88 (32/65) ======================= q-point: (-0.38 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -13.208 -6.874 0.904) 14.917 1.934 ( -15.357 -9.786 1.531) 18.274 2.215 ( -0.781 -3.067 3.833) 4.970 2.511 ( -6.009 2.882 8.077) 10.472 2.850 ( 4.815 -2.738 -2.894) 6.250 2.909 ( 8.750 1.618 -2.543) 9.255 3.134 ( -6.481 1.112 1.147) 6.675 3.307 ( -6.450 -3.764 -7.318) 10.456 3.373 ( -2.387 -0.923 -2.460) 3.550 3.466 ( 4.219 -0.284 0.335) 4.242 3.746 ( -1.664 1.436 -2.692) 3.475 3.844 ( -0.540 2.205 -1.213) 2.574 3.981 ( -1.113 -3.484 1.113) 3.823 4.189 ( 5.558 3.012 2.657) 6.857 4.347 ( -3.404 3.702 4.386) 6.673 4.435 ( 10.258 3.634 -4.316) 11.707 4.822 ( 4.089 -5.125 5.153) 8.339 5.028 ( -3.803 7.611 7.541) 11.370 5.556 ( -4.616 -6.738 -6.862) 10.668 5.631 ( -9.764 -2.853 -1.612) 10.300 5.715 ( 8.041 -3.250 0.869) 8.717 5.986 ( 1.461 8.186 0.469) 8.329 6.248 ( 1.320 -0.140 -0.647) 1.477 6.468 ( -0.423 -5.651 -0.037) 5.667 6.585 ( -4.397 1.333 1.316) 4.780 6.912 ( 2.471 3.424 2.207) 4.765 6.978 ( -3.279 1.801 -0.344) 3.757 7.549 ( 13.278 1.846 -1.477) 13.487 8.498 ( 0.920 -0.109 -3.768) 3.880 8.978 ( 0.266 0.137 -0.515) 0.596 14.576 ( 6.561 2.480 0.086) 7.014 14.628 ( -1.338 -0.577 -1.847) 2.353 16.935 ( 2.036 0.540 0.092) 2.108 16.972 ( 1.419 0.966 0.917) 1.946 17.174 ( -0.833 -0.907 -0.746) 1.440 17.280 ( -2.163 -0.114 0.006) 2.166 20.664 ( 0.255 -0.230 0.576) 0.670 20.692 ( -1.570 -0.688 -0.155) 1.721 20.953 ( -1.481 -1.684 0.273) 2.259 21.021 ( 0.351 -0.394 -0.043) 0.530 21.061 ( -1.839 0.107 0.776) 1.999 21.082 ( -0.567 0.886 0.888) 1.377 23.281 ( -0.491 -0.191 -0.646) 0.834 23.340 ( 1.323 -0.180 -0.072) 1.337 23.372 ( -0.898 -0.024 0.377) 0.975 23.386 ( -0.797 0.805 0.251) 1.160 23.504 ( 0.508 -0.200 -0.497) 0.738 23.525 ( 1.216 0.317 1.090) 1.664 23.589 ( -1.407 -1.036 0.308) 1.774 23.630 ( -0.506 -0.211 -0.163) 0.572 23.870 ( -0.443 0.054 -0.027) 0.447 24.127 ( -0.931 -0.006 -0.314) 0.983 24.691 ( -0.102 -0.191 0.849) 0.876 24.853 ( -1.200 -0.542 0.409) 1.379 42.088 ( -12.016 -9.853 9.390) 18.156 42.167 ( -1.491 -6.036 11.317) 12.912 42.553 ( -15.229 -5.427 8.987) 18.497 42.562 ( -24.762 -8.664 8.099) 27.455 43.545 ( -25.650 -4.860 -9.133) 27.657 44.608 ( 0.878 6.488 4.383) 7.879 50.120 ( 9.950 -2.458 -2.847) 10.637 50.657 ( 7.297 3.304 2.418) 8.367 50.729 ( 3.054 2.046 -3.262) 4.914 50.804 ( 0.909 1.851 -3.116) 3.737 51.363 ( 1.791 0.761 0.778) 2.095 51.376 ( -1.131 1.082 -0.510) 1.647 ======================= Grid point 89 (33/65) ======================= q-point: (-0.25 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -16.184 -5.431 20.356) 26.567 1.619 ( -21.125 -8.597 2.407) 22.934 2.234 ( -0.043 -2.584 3.269) 4.167 2.416 ( -8.726 -1.615 1.177) 8.952 2.617 ( -26.243 -7.634 3.350) 27.536 3.067 ( 6.976 0.527 -8.064) 10.675 3.114 ( 1.071 -1.527 2.918) 3.463 3.253 ( 5.449 8.183 -0.348) 9.838 3.401 ( 11.218 4.298 -2.465) 12.263 3.539 ( 6.081 0.228 0.248) 6.091 3.697 ( -2.684 0.365 -2.267) 3.532 3.834 ( -6.199 2.360 1.257) 6.751 3.956 ( 0.592 -5.023 3.435) 6.114 4.322 ( 1.959 -0.169 4.199) 4.637 4.359 ( 4.222 -0.795 0.019) 4.296 4.531 ( 6.864 5.005 -8.953) 12.342 4.903 ( 5.352 -3.985 3.433) 7.504 5.116 ( -2.008 3.126 4.446) 5.794 5.373 ( -4.191 -2.089 -6.235) 7.798 5.420 ( -12.087 -1.108 -2.510) 12.394 5.830 ( 9.103 -3.684 1.660) 9.960 6.062 ( 3.671 5.868 -3.036) 7.559 6.251 ( 0.119 0.814 -1.511) 1.721 6.409 ( 0.270 -3.278 -2.646) 4.222 6.563 ( -5.003 -0.071 4.521) 6.743 6.898 ( -4.630 -1.051 1.552) 4.995 7.014 ( 1.208 2.300 1.607) 3.055 7.670 ( 10.825 2.130 -12.998) 17.049 8.525 ( 1.084 1.088 4.480) 4.736 9.000 ( 2.031 0.821 3.016) 3.727 14.590 ( -1.317 0.070 -1.543) 2.030 14.694 ( 7.306 2.170 -0.117) 7.622 16.977 ( 2.082 0.562 1.275) 2.505 17.018 ( 1.522 0.315 2.657) 3.078 17.143 ( -0.652 -0.230 -2.071) 2.184 17.234 ( -2.508 -0.448 -1.876) 3.164 20.660 ( -1.740 -0.496 -0.375) 1.848 20.673 ( 0.299 -0.151 0.545) 0.639 20.924 ( -1.673 -1.236 0.694) 2.192 21.013 ( -1.036 -0.426 -0.587) 1.264 21.018 ( -2.861 -0.420 0.398) 2.919 21.108 ( 0.932 0.238 0.662) 1.168 23.271 ( -0.277 0.207 -0.097) 0.359 23.349 ( -1.124 -0.577 0.265) 1.290 23.357 ( 0.561 0.088 -0.166) 0.591 23.400 ( 0.509 0.444 0.762) 1.018 23.500 ( -0.229 0.164 -0.168) 0.328 23.540 ( -0.746 -0.668 0.634) 1.185 23.568 ( -0.285 -0.768 -0.048) 0.821 23.624 ( 0.491 0.452 -1.064) 1.256 23.872 ( -0.548 -0.089 1.751) 1.837 24.099 ( -1.137 -0.120 -1.764) 2.102 24.702 ( -0.227 -0.326 1.809) 1.852 24.829 ( -1.370 -0.551 -0.584) 1.588 41.822 ( -23.488 -9.647 5.714) 26.028 41.990 ( -26.687 -7.355 -0.635) 27.689 42.318 ( -4.065 -16.055 14.468) 21.991 42.554 ( -2.856 -2.882 10.763) 11.503 43.095 ( -24.703 -0.328 -1.426) 24.746 44.639 ( 0.668 3.115 -5.987) 6.782 50.259 ( 10.067 -0.680 3.503) 10.680 50.661 ( -4.847 5.446 -3.955) 8.294 50.794 ( 4.299 -0.849 -5.365) 6.927 50.855 ( 6.952 1.889 2.432) 7.603 51.352 ( -1.825 0.421 -0.479) 1.933 51.402 ( 1.617 0.255 0.590) 1.740 ======================= Grid point 90 (34/65) ======================= q-point: (-0.12 0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -23.398 -2.460 7.229) 24.613 1.386 ( -17.727 -3.646 23.755) 29.864 2.095 ( -24.042 -7.583 10.540) 27.324 2.337 ( -3.783 -1.279 5.458) 6.763 2.427 ( -3.024 -0.925 8.750) 9.304 3.071 ( 6.493 2.244 -4.619) 8.278 3.179 ( 3.145 -0.335 1.403) 3.460 3.327 ( -0.453 5.309 -0.978) 5.418 3.544 ( 0.442 1.503 2.116) 2.632 3.623 ( -1.982 0.524 -0.858) 2.222 3.742 ( 3.180 2.034 -2.132) 4.335 3.782 ( 11.170 7.542 -1.715) 13.587 3.968 ( -0.058 -6.041 2.715) 6.623 4.296 ( -3.469 -7.244 1.955) 8.266 4.442 ( 7.152 -1.159 -3.617) 8.098 4.535 ( 4.280 2.519 -6.481) 8.165 4.963 ( 3.939 -4.982 1.020) 6.433 5.058 ( -0.170 -4.148 -9.678) 10.531 5.218 ( -9.516 5.069 -2.483) 11.064 5.357 ( -2.858 4.244 3.629) 6.272 5.951 ( 8.795 -2.892 2.426) 9.571 6.117 ( 5.312 1.383 -4.339) 6.997 6.231 ( -1.113 2.590 -2.396) 3.699 6.370 ( -0.128 -1.843 -1.291) 2.254 6.532 ( -6.459 -0.724 4.609) 7.968 6.859 ( -4.815 -0.044 4.900) 6.870 7.039 ( 1.030 -2.357 -0.120) 2.575 7.551 ( -0.418 1.577 -23.285) 23.342 8.622 ( 0.330 1.296 8.460) 8.565 9.144 ( 9.229 2.356 5.327) 10.914 14.554 ( -1.537 0.432 -1.917) 2.495 14.800 ( 6.542 1.278 -1.192) 6.771 17.026 ( 1.542 0.510 1.733) 2.375 17.074 ( 1.284 -0.398 3.668) 3.906 17.109 ( -0.204 0.311 -2.614) 2.641 17.165 ( -2.325 -0.444 -3.373) 4.121 20.631 ( -1.360 -0.125 -0.091) 1.369 20.682 ( 0.271 -0.233 0.701) 0.787 20.905 ( -1.526 -0.694 1.261) 2.097 20.966 ( -3.724 -0.663 1.126) 3.947 21.008 ( 0.155 0.644 -0.666) 0.939 21.114 ( 0.013 -1.010 -0.509) 1.131 23.273 ( -0.110 0.591 0.389) 0.717 23.329 ( -1.584 -0.744 0.888) 1.962 23.364 ( 0.704 0.556 -0.960) 1.314 23.420 ( 1.171 -0.704 0.915) 1.645 23.499 ( -0.861 0.969 0.149) 1.305 23.512 ( -1.724 -1.359 -0.348) 2.223 23.569 ( 0.358 -0.001 0.328) 0.486 23.617 ( 0.249 -0.062 -1.755) 1.773 23.892 ( -0.605 -0.224 3.373) 3.434 24.066 ( -0.036 0.215 -2.106) 2.117 24.721 ( -0.170 -0.295 2.597) 2.619 24.796 ( -1.224 -0.380 -1.366) 1.873 41.475 ( -22.033 -7.962 4.657) 23.886 41.585 ( -24.092 -0.843 4.894) 24.598 42.343 ( 0.943 -18.228 18.550) 26.024 42.594 ( 2.716 -11.957 3.708) 12.810 42.883 ( -18.759 10.215 13.905) 25.488 44.573 ( 0.401 0.789 -9.516) 9.557 50.417 ( 5.310 0.794 2.391) 5.877 50.581 ( -6.128 5.836 -4.010) 9.364 50.800 ( 6.056 0.650 -5.470) 8.186 50.952 ( 3.130 -0.512 0.673) 3.242 51.323 ( -1.756 0.310 -0.621) 1.888 51.424 ( 0.797 -0.147 0.062) 0.813 ======================= Grid point 94 (35/65) ======================= q-point: ( 0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.000 -6.800 6.535) 9.431 1.941 ( -0.000 -1.873 12.603) 12.741 2.372 ( 0.000 -0.889 -12.023) 12.056 2.573 ( 0.000 -5.100 -0.180) 5.104 2.807 ( 0.000 -4.986 0.299) 4.994 2.989 ( -0.000 2.591 9.589) 9.932 3.128 ( 0.000 0.572 -5.368) 5.398 3.221 ( -0.000 5.949 6.916) 9.122 3.482 ( 0.000 -1.170 -5.436) 5.560 3.540 ( 0.000 -0.916 0.227) 0.944 3.798 ( 0.000 -7.572 0.438) 7.584 3.817 ( -0.000 9.621 -3.261) 10.159 3.877 ( -0.000 1.859 7.283) 7.516 4.042 ( 0.000 -5.032 -3.772) 6.289 4.404 ( 0.000 -1.135 -9.815) 9.880 4.465 ( -0.000 11.159 -3.659) 11.743 4.754 ( 0.000 -4.217 6.977) 8.152 5.223 ( -0.000 2.943 3.290) 4.414 5.250 ( 0.000 -5.458 4.066) 6.806 5.740 ( -0.000 8.268 7.177) 10.949 5.829 ( 0.000 -7.208 -8.435) 11.096 6.084 ( -0.000 1.941 -0.245) 1.956 6.193 ( 0.000 -2.564 0.338) 2.586 6.521 ( 0.000 -3.774 7.962) 8.811 6.682 ( -0.000 9.392 3.813) 10.137 6.734 ( 0.000 -2.668 -6.055) 6.617 7.010 ( -0.000 2.663 -1.646) 3.130 7.206 ( -0.000 -0.695 2.707) 2.795 8.601 ( 0.000 -2.885 -14.967) 15.243 8.964 ( -0.000 0.095 1.356) 1.359 14.411 ( -0.000 1.641 -0.772) 1.814 14.702 ( 0.000 -1.430 -3.417) 3.704 16.888 ( 0.000 0.275 -1.066) 1.101 16.929 ( -0.000 1.513 -1.090) 1.865 17.208 ( 0.000 -1.880 0.770) 2.031 17.317 ( -0.000 1.045 1.532) 1.854 20.656 ( 0.000 -1.012 0.880) 1.341 20.732 ( 0.000 -0.543 0.285) 0.614 20.982 ( -0.000 -0.457 1.159) 1.246 21.009 ( 0.000 -1.485 0.725) 1.653 21.029 ( -0.000 1.956 1.749) 2.624 21.133 ( -0.000 1.310 0.591) 1.437 23.308 ( 0.000 -0.517 -0.380) 0.642 23.314 ( 0.000 -0.853 0.024) 0.853 23.365 ( -0.000 1.507 -0.086) 1.510 23.427 ( -0.000 1.846 -0.401) 1.889 23.469 ( -0.000 -0.100 0.791) 0.798 23.474 ( 0.000 -0.183 0.278) 0.333 23.632 ( 0.000 -1.271 0.813) 1.509 23.653 ( 0.000 -0.869 0.815) 1.191 23.891 ( 0.000 -0.029 -1.945) 1.945 24.133 ( -0.000 0.719 1.908) 2.039 24.688 ( 0.000 0.003 -0.030) 0.030 24.873 ( -0.000 -0.328 1.584) 1.618 42.031 ( -0.000 -5.825 17.895) 18.819 42.127 ( -0.000 -7.463 17.855) 19.352 42.918 ( -0.000 0.698 8.451) 8.480 43.349 ( 0.000 -13.379 6.797) 15.006 44.109 ( -0.000 8.372 10.737) 13.615 44.473 ( -0.000 9.825 8.525) 13.007 50.005 ( 0.000 -8.349 -9.814) 12.885 50.296 ( -0.000 1.701 1.009) 1.978 50.638 ( 0.000 0.078 -2.394) 2.395 50.837 ( -0.000 7.387 -4.264) 8.529 51.293 ( -0.000 1.083 1.023) 1.490 51.386 ( -0.000 3.301 -0.463) 3.333 ======================= Grid point 95 (36/65) ======================= q-point: ( 0.50 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -0.369 -9.099 3.088) 9.616 2.063 ( 3.569 -5.196 8.793) 10.819 2.275 ( -2.549 -4.690 0.039) 5.339 2.526 ( -3.908 1.771 4.456) 6.186 2.776 ( 3.000 -5.394 -0.330) 6.181 2.990 ( -11.548 0.216 -2.484) 11.814 3.108 ( 3.027 -4.403 3.349) 6.305 3.369 ( 0.851 0.006 -3.177) 3.289 3.396 ( 2.067 4.984 1.275) 5.544 3.555 ( -2.752 1.338 3.754) 4.843 3.791 ( -0.514 3.975 -1.114) 4.160 3.837 ( 1.365 4.675 -5.808) 7.579 3.941 ( 1.368 -4.647 0.650) 4.887 4.036 ( 8.205 -0.724 -0.941) 8.291 4.264 ( -3.500 0.367 -5.410) 6.454 4.475 ( -1.450 7.406 -4.596) 8.836 4.802 ( -3.183 -3.440 7.999) 9.271 5.173 ( -5.552 2.847 5.710) 8.458 5.401 ( 10.246 -2.941 2.621) 10.978 5.652 ( -2.289 -7.567 -8.118) 11.331 5.864 ( -1.540 7.209 1.786) 7.585 6.049 ( -5.740 3.707 -1.100) 6.921 6.192 ( 1.747 -1.780 0.292) 2.511 6.504 ( -1.534 -7.631 -1.005) 7.849 6.677 ( -1.935 -0.007 1.437) 2.410 6.822 ( 3.300 7.902 2.993) 9.071 7.023 ( 0.836 3.292 -1.550) 3.733 7.243 ( 5.800 -2.441 -0.938) 6.362 8.473 ( 0.617 -0.764 -5.200) 5.292 8.972 ( 0.130 0.168 -0.421) 0.471 14.439 ( 2.689 1.539 0.202) 3.105 14.656 ( -0.547 -0.482 -2.572) 2.674 16.893 ( 0.840 0.174 0.529) 1.008 16.942 ( 0.581 1.093 0.835) 1.493 17.193 ( -0.386 -1.334 -0.637) 1.528 17.325 ( -0.892 0.854 -0.377) 1.291 20.658 ( 0.153 -0.955 0.675) 1.180 20.724 ( -0.629 -0.554 -0.091) 0.844 20.979 ( -0.315 -1.823 0.488) 1.914 21.013 ( 0.078 -0.250 0.801) 0.843 21.060 ( 0.164 1.304 1.206) 1.784 21.137 ( -1.305 0.848 0.193) 1.569 23.295 ( -0.362 -0.428 -0.493) 0.747 23.314 ( 0.433 -0.377 0.008) 0.574 23.375 ( 0.054 1.393 -0.110) 1.398 23.426 ( -1.228 1.018 -0.361) 1.635 23.482 ( 0.679 -0.473 1.337) 1.572 23.488 ( 1.085 -0.043 0.480) 1.187 23.622 ( -0.710 -1.155 0.082) 1.358 23.647 ( -0.430 -0.899 0.080) 1.000 23.879 ( -0.174 0.297 -0.297) 0.454 24.145 ( -0.293 0.734 -0.534) 0.954 24.693 ( -0.053 -0.409 1.323) 1.386 24.879 ( -0.505 -0.491 0.598) 0.924 42.147 ( -0.481 -8.745 14.759) 17.162 42.240 ( 0.120 -11.811 15.126) 19.191 42.935 ( -9.308 -2.056 6.755) 11.683 43.192 ( -14.060 -10.948 2.909) 18.055 44.125 ( -11.067 2.986 -3.391) 11.954 44.638 ( -2.830 10.941 6.188) 12.884 49.895 ( 4.787 -7.023 -3.031) 9.024 50.382 ( 7.719 1.383 2.055) 8.107 50.631 ( 2.514 -0.035 -2.339) 3.434 50.845 ( -1.345 7.071 -3.397) 7.959 51.320 ( 0.931 0.770 1.150) 1.669 51.405 ( -0.612 2.815 -0.233) 2.890 ======================= Grid point 96 (37/65) ======================= q-point: (-0.38 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -6.410 -5.731 17.367) 19.379 2.066 ( -8.993 -7.232 5.247) 12.677 2.232 ( 0.521 -5.717 4.861) 7.522 2.624 ( 10.315 1.469 -4.483) 11.343 2.767 ( -11.904 -0.612 -0.568) 11.934 2.827 ( 2.631 -1.490 6.704) 7.354 3.074 ( 2.882 -4.395 -7.044) 8.789 3.352 ( 2.094 1.683 -3.270) 4.232 3.446 ( -6.560 1.934 4.587) 8.235 3.518 ( -11.154 -0.302 0.147) 11.159 3.762 ( -2.061 3.200 -1.175) 3.984 3.803 ( 3.337 1.300 -3.400) 4.938 3.995 ( 2.648 -0.775 5.423) 6.085 4.149 ( 7.977 3.903 -2.445) 9.211 4.238 ( 6.017 0.674 -8.140) 10.145 4.448 ( -3.440 5.260 -2.727) 6.851 4.801 ( -0.410 -7.578 7.045) 10.356 5.224 ( -4.143 4.819 5.521) 8.418 5.473 ( -2.379 -5.190 -6.001) 8.283 5.541 ( 10.065 -3.458 0.834) 10.675 5.792 ( -11.985 0.874 -0.828) 12.046 6.021 ( -0.675 6.653 -5.107) 8.414 6.216 ( 2.349 -0.663 0.380) 2.471 6.397 ( -0.195 -5.359 -4.007) 6.694 6.680 ( -3.100 -0.180 4.739) 5.666 6.929 ( 1.644 2.560 1.701) 3.486 7.043 ( -1.726 5.001 -0.392) 5.305 7.314 ( 12.369 -1.959 -6.405) 14.067 8.491 ( 1.195 1.509 4.754) 5.129 8.967 ( 0.643 0.391 -1.320) 1.520 14.512 ( 5.069 1.288 0.725) 5.280 14.623 ( -0.905 0.620 -1.762) 2.076 16.924 ( 1.491 0.046 1.861) 2.386 16.980 ( 1.065 0.397 2.658) 2.891 17.163 ( -0.636 -0.527 -1.972) 2.138 17.297 ( -1.746 0.438 -2.296) 2.917 20.661 ( 0.428 -0.731 0.529) 0.999 20.704 ( -1.241 -0.398 -0.397) 1.362 20.962 ( -0.890 -1.544 0.628) 1.889 21.015 ( -0.046 -0.435 -0.157) 0.465 21.082 ( 0.244 0.306 0.857) 0.942 21.116 ( -2.315 0.360 -0.013) 2.343 23.284 ( -0.558 0.065 -0.018) 0.562 23.320 ( 1.020 -0.203 -0.314) 1.087 23.385 ( -0.145 0.608 0.256) 0.676 23.410 ( -1.453 0.645 0.017) 1.590 23.493 ( 0.467 -0.602 0.544) 0.936 23.519 ( 1.544 -0.171 1.223) 1.977 23.597 ( -1.172 -0.901 -0.604) 1.597 23.630 ( -0.578 -0.466 -0.693) 1.016 23.884 ( -0.275 0.272 1.377) 1.431 24.125 ( -0.663 0.507 -2.500) 2.636 24.708 ( -0.186 -0.717 2.270) 2.388 24.864 ( -0.984 -0.610 -0.478) 1.253 42.208 ( -0.999 -11.542 11.954) 16.647 42.267 ( -3.048 -14.189 12.222) 18.974 42.773 ( -15.314 -6.718 1.506) 16.791 42.875 ( -21.727 -8.693 0.506) 23.407 43.847 ( -24.406 3.591 -1.713) 24.728 44.655 ( -1.731 4.300 -8.081) 9.316 49.972 ( 8.925 -2.547 5.823) 10.957 50.555 ( 11.530 0.378 1.154) 11.594 50.648 ( 3.675 1.045 -2.530) 4.583 50.829 ( -3.269 5.769 -3.261) 7.389 51.353 ( 1.580 0.123 0.959) 1.852 51.405 ( -1.612 1.745 -0.294) 2.394 ======================= Grid point 97 (38/65) ======================= q-point: (-0.25 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -10.102 -6.168 22.043) 25.020 1.891 ( -18.581 -2.364 8.001) 20.368 2.262 ( -0.794 -4.319 6.248) 7.637 2.496 ( -4.588 -4.293 -5.271) 8.201 2.788 ( 0.126 -0.449 1.162) 1.252 2.925 ( 2.838 2.870 -5.264) 6.633 3.104 ( 12.258 -1.787 2.226) 12.586 3.219 ( -9.287 5.897 -3.416) 11.519 3.412 ( -3.210 4.752 3.452) 6.693 3.512 ( 1.422 -0.903 5.003) 5.279 3.689 ( -1.293 -1.417 -3.695) 4.164 3.918 ( 1.155 4.508 4.414) 6.414 4.013 ( -6.584 -3.484 2.228) 7.775 4.206 ( 7.181 2.563 -10.122) 12.673 4.266 ( 8.912 0.968 -2.982) 9.447 4.420 ( 0.473 -0.626 -3.745) 3.826 4.837 ( 3.416 -6.947 4.906) 9.165 5.136 ( -5.194 -7.324 -6.968) 11.365 5.429 ( -4.182 7.729 2.905) 9.255 5.608 ( -13.444 1.701 1.207) 13.604 5.670 ( 10.701 -3.421 0.485) 11.245 5.993 ( 2.853 1.667 -7.504) 8.200 6.245 ( 0.791 0.795 0.116) 1.127 6.339 ( 1.435 -1.901 -3.046) 3.867 6.692 ( -4.638 0.026 6.778) 8.213 6.963 ( -0.643 0.031 2.493) 2.575 7.033 ( -2.130 0.524 -0.906) 2.374 7.376 ( 11.023 1.374 -13.222) 17.269 8.609 ( 0.593 2.852 9.684) 10.113 8.982 ( 3.225 0.954 -1.039) 3.520 14.598 ( -1.468 1.513 -1.393) 2.527 14.610 ( 6.386 0.774 0.449) 6.448 16.974 ( 1.866 0.035 2.795) 3.361 17.034 ( 1.344 -0.486 3.906) 4.159 17.125 ( -0.712 0.343 -2.897) 3.003 17.235 ( -2.343 0.059 -3.822) 4.484 20.669 ( 0.601 -0.613 0.488) 0.988 20.676 ( -1.605 -0.092 -0.538) 1.696 20.945 ( -1.233 -0.925 0.993) 1.833 21.003 ( -0.077 -0.346 -0.962) 1.025 21.071 ( -3.046 -0.247 0.504) 3.097 21.102 ( 0.434 -0.597 0.204) 0.765 23.282 ( -0.469 0.577 0.486) 0.888 23.331 ( 1.291 -0.003 -0.599) 1.423 23.379 ( -1.475 -0.396 0.674) 1.669 23.404 ( -0.094 0.065 0.131) 0.174 23.503 ( 0.350 0.075 0.693) 0.780 23.548 ( 0.843 -0.511 1.299) 1.631 23.563 ( -1.248 -0.750 -1.181) 1.875 23.611 ( -0.237 0.106 -1.419) 1.443 23.905 ( -0.337 0.018 2.963) 2.982 24.083 ( -0.768 0.256 -3.528) 3.620 24.727 ( -0.235 -0.784 2.742) 2.861 24.832 ( -1.250 -0.573 -1.442) 1.993 42.120 ( -16.982 -11.327 8.778) 22.221 42.231 ( -7.128 -9.749 7.636) 14.288 42.428 ( -18.954 -10.722 -0.416) 21.780 42.555 ( -5.603 -14.301 -2.518) 15.564 43.564 ( -26.347 7.216 9.781) 29.016 44.528 ( 1.957 -1.435 -14.401) 14.604 50.196 ( 9.264 1.470 9.813) 13.575 50.630 ( 5.978 0.049 -6.903) 9.132 50.744 ( -0.020 4.730 -0.577) 4.765 50.794 ( 2.996 1.792 -0.358) 3.509 51.383 ( -2.146 0.889 -0.411) 2.359 51.386 ( 1.678 -0.404 0.776) 1.892 ======================= Grid point 98 (39/65) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -18.730 -0.026 6.444) 19.807 1.824 ( -14.325 -3.907 15.844) 21.714 2.229 ( -4.650 -5.038 0.420) 6.869 2.445 ( 1.240 -1.727 3.682) 4.252 2.721 ( -14.740 -0.632 12.688) 19.459 2.968 ( 6.127 6.190 -3.263) 9.301 3.145 ( 3.410 2.413 1.350) 4.390 3.390 ( 2.105 6.710 0.847) 7.083 3.508 ( 14.288 7.295 -0.770) 16.061 3.588 ( 0.545 1.140 5.050) 5.205 3.638 ( 0.142 -1.606 -2.005) 2.573 3.815 ( -7.412 -1.582 -7.024) 10.333 3.996 ( -3.107 -0.101 3.272) 4.513 4.248 ( 6.504 -2.441 -1.797) 7.175 4.300 ( -1.388 -4.393 -4.168) 6.213 4.375 ( 7.812 -4.440 -5.220) 10.392 4.873 ( 3.654 -6.457 1.863) 7.649 4.906 ( -3.059 -6.745 -10.281) 12.671 5.416 ( -9.779 8.261 1.004) 12.840 5.538 ( -7.633 4.939 7.336) 11.682 5.805 ( 10.833 -2.838 0.700) 11.220 5.977 ( 5.932 -2.070 -6.391) 8.962 6.247 ( -1.107 2.476 -1.069) 2.916 6.330 ( 1.853 -1.351 -1.104) 2.545 6.684 ( -6.969 -0.615 6.326) 9.432 6.971 ( -0.387 -5.140 -3.567) 6.268 6.996 ( -2.389 2.317 6.410) 7.223 7.332 ( 3.635 3.320 -15.651) 16.407 8.745 ( -0.660 2.915 9.826) 10.270 9.047 ( 7.400 1.013 -3.285) 8.159 14.570 ( -2.357 1.978 -1.559) 3.449 14.703 ( 6.286 -0.028 -0.614) 6.316 17.032 ( 1.260 0.291 2.347) 2.680 17.071 ( 0.480 -0.037 -1.476) 1.553 17.110 ( 0.648 -0.474 3.162) 3.262 17.153 ( -2.384 -0.009 -4.400) 5.004 20.649 ( -1.415 0.242 -0.295) 1.466 20.679 ( 0.689 -0.653 0.621) 1.134 20.936 ( -1.311 -0.203 1.469) 1.979 20.993 ( 0.428 0.219 -1.061) 1.164 21.030 ( -3.266 -0.174 0.823) 3.372 21.099 ( 0.243 -1.702 -0.007) 1.719 23.290 ( -0.339 1.021 0.789) 1.334 23.339 ( 0.788 0.120 -0.787) 1.121 23.362 ( -1.392 -0.472 0.658) 1.610 23.406 ( 0.733 -1.128 0.217) 1.363 23.517 ( -0.866 0.588 -0.214) 1.068 23.522 ( -0.978 -0.450 0.056) 1.078 23.568 ( 0.443 -0.107 0.776) 0.900 23.595 ( 0.363 -0.220 -1.342) 1.407 23.941 ( -0.357 -0.191 4.293) 4.312 24.036 ( -0.187 0.153 -3.817) 3.825 24.750 ( -0.070 -0.637 2.977) 3.045 24.791 ( -1.199 -0.343 -2.109) 2.450 41.797 ( -24.481 -5.432 3.269) 25.288 41.955 ( -21.976 0.929 1.382) 22.039 42.318 ( 4.218 -18.052 9.613) 20.882 42.438 ( 6.249 -18.197 3.083) 19.486 43.461 ( -22.214 8.865 20.383) 31.425 44.403 ( 5.764 -4.618 -12.674) 14.669 50.407 ( 3.928 4.050 4.494) 7.213 50.617 ( 2.262 0.620 -8.644) 8.957 50.706 ( -2.073 6.751 -1.564) 7.233 50.893 ( 5.016 -1.655 0.737) 5.333 51.352 ( -2.396 0.891 -0.573) 2.620 51.410 ( 1.245 -0.792 0.517) 1.563 ======================= Grid point 103 (40/65) ======================= q-point: ( 0.50 0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 0.000 -8.337 15.233) 17.365 2.094 ( 0.000 -7.031 9.060) 11.468 2.271 ( 0.000 -4.324 3.947) 5.855 2.573 ( 0.000 -1.255 -0.086) 1.258 2.707 ( 0.000 -4.613 0.078) 4.614 3.027 ( 0.000 -6.171 -4.856) 7.853 3.115 ( -0.000 1.951 3.682) 4.167 3.307 ( 0.000 -0.718 -3.738) 3.806 3.501 ( -0.000 6.034 6.404) 8.799 3.642 ( -0.000 6.334 1.049) 6.420 3.738 ( 0.000 -0.770 -8.169) 8.206 3.838 ( 0.000 -1.204 0.630) 1.359 3.875 ( 0.000 -0.547 -1.660) 1.748 3.965 ( -0.000 2.143 -1.024) 2.375 4.247 ( -0.000 3.801 -5.422) 6.622 4.468 ( -0.000 3.426 -3.388) 4.818 4.920 ( -0.000 -0.653 6.218) 6.253 5.220 ( 0.000 -7.418 3.077) 8.031 5.393 ( -0.000 6.388 4.835) 8.011 5.510 ( 0.000 -7.405 -7.638) 10.638 5.953 ( -0.000 7.927 -1.259) 8.027 6.080 ( -0.000 3.894 -6.506) 7.582 6.179 ( 0.000 -2.506 2.143) 3.298 6.409 ( 0.000 -7.206 -4.612) 8.555 6.725 ( -0.000 -0.761 4.879) 4.938 6.885 ( -0.000 6.368 2.096) 6.704 7.003 ( -0.000 1.534 -2.960) 3.334 7.166 ( 0.000 -2.040 -2.811) 3.473 8.472 ( -0.000 1.540 5.115) 5.342 8.958 ( 0.000 0.328 -2.237) 2.261 14.437 ( -0.000 0.921 1.088) 1.425 14.636 ( -0.000 0.827 -1.849) 2.026 16.902 ( -0.000 -0.168 2.091) 2.097 16.964 ( -0.000 0.454 2.653) 2.692 17.173 ( 0.000 -0.685 -1.896) 2.016 17.322 ( 0.000 0.872 -2.536) 2.682 20.654 ( 0.000 -1.090 0.538) 1.215 20.722 ( 0.000 -0.374 -0.334) 0.502 20.973 ( 0.000 -1.559 0.630) 1.682 21.016 ( 0.000 -0.470 0.277) 0.546 21.077 ( -0.000 0.414 0.632) 0.756 21.152 ( -0.000 0.594 -0.271) 0.653 23.293 ( 0.000 -0.081 0.048) 0.094 23.306 ( 0.000 -0.271 -0.397) 0.481 23.384 ( -0.000 1.260 -0.161) 1.270 23.442 ( -0.000 1.554 -0.726) 1.715 23.485 ( 0.000 -0.786 1.293) 1.514 23.487 ( 0.000 -1.189 1.680) 2.059 23.615 ( 0.000 -0.866 -0.707) 1.118 23.640 ( 0.000 -0.860 -0.514) 1.002 23.888 ( -0.000 0.433 1.168) 1.246 24.134 ( 0.000 0.873 -2.779) 2.913 24.711 ( -0.000 -0.922 2.494) 2.659 24.879 ( 0.000 -0.647 -0.427) 0.776 42.210 ( 0.000 -13.753 12.168) 18.363 42.283 ( 0.000 -15.456 12.306) 19.757 43.030 ( 0.000 -4.660 2.729) 5.400 43.217 ( 0.000 -8.472 -0.768) 8.506 44.216 ( -0.000 4.689 -2.350) 5.245 44.703 ( -0.000 5.157 -11.536) 12.637 49.836 ( 0.000 -3.911 7.501) 8.460 50.352 ( -0.000 -0.111 2.378) 2.380 50.588 ( 0.000 0.694 -2.758) 2.844 50.879 ( -0.000 6.687 -2.684) 7.206 51.329 ( -0.000 0.083 0.946) 0.949 51.429 ( -0.000 2.322 -0.205) 2.332 ======================= Grid point 104 (41/65) ======================= q-point: (-0.38 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 2.767 -9.881 15.028) 18.197 2.151 ( 3.845 -8.877 8.959) 13.185 2.309 ( -7.219 2.084 12.456) 14.546 2.511 ( -2.047 -3.312 -4.050) 5.618 2.713 ( 3.666 -1.432 -0.474) 3.965 2.912 ( 1.802 -4.379 -8.493) 9.724 3.071 ( -12.262 1.142 4.939) 13.268 3.326 ( 1.396 4.292 0.988) 4.620 3.551 ( -0.369 -4.324 -6.342) 7.684 3.563 ( -2.397 -0.376 3.332) 4.121 3.719 ( 0.236 0.847 -6.668) 6.725 3.880 ( 12.996 -0.220 -8.526) 15.544 3.893 ( -2.539 6.524 4.304) 8.218 4.040 ( 2.295 2.581 6.461) 7.326 4.202 ( -2.623 4.658 -4.816) 7.196 4.466 ( -0.728 4.741 -3.912) 6.189 4.880 ( -6.952 -7.536 6.242) 12.004 5.238 ( 1.768 -7.007 -1.826) 7.454 5.374 ( 5.387 -4.373 -3.540) 7.789 5.531 ( -1.514 8.588 5.871) 10.513 5.920 ( -4.071 0.679 -5.351) 6.757 5.984 ( -3.925 2.309 -9.065) 10.144 6.189 ( 1.484 -1.851 1.612) 2.868 6.333 ( -0.460 -0.845 -2.182) 2.385 6.781 ( -1.661 -0.188 8.215) 8.383 6.937 ( 1.032 -0.287 0.096) 1.076 7.038 ( 8.309 3.954 -4.816) 10.386 7.117 ( -0.680 -1.267 -3.277) 3.578 8.594 ( 0.373 3.758 11.153) 11.775 8.931 ( 0.786 0.600 -3.983) 4.104 14.477 ( 2.610 0.373 1.618) 3.094 14.629 ( -0.596 2.235 -1.031) 2.533 16.935 ( 0.782 -0.434 3.235) 3.356 17.007 ( 0.541 -0.373 4.094) 4.146 17.141 ( -0.345 0.172 -2.903) 2.928 17.283 ( -0.951 0.651 -4.265) 4.418 20.654 ( 0.362 -0.999 0.429) 1.146 20.710 ( -0.696 -0.115 -0.528) 0.881 20.968 ( -0.362 -1.088 0.801) 1.398 21.009 ( -0.218 -0.834 -0.498) 0.995 21.082 ( 0.331 -0.635 0.158) 0.734 21.141 ( -1.264 0.179 -0.540) 1.386 23.295 ( -0.325 0.357 0.545) 0.728 23.302 ( 0.556 -0.130 -0.629) 0.850 23.391 ( 0.105 0.559 -0.035) 0.570 23.433 ( -1.303 0.718 -0.522) 1.577 23.494 ( 0.150 -0.959 1.489) 1.778 23.508 ( 1.371 -0.859 1.459) 2.178 23.594 ( -0.639 -0.442 -1.167) 1.402 23.623 ( -0.360 -0.449 -1.051) 1.198 23.911 ( -0.086 0.296 2.519) 2.538 24.099 ( -0.293 0.627 -4.185) 4.242 24.732 ( -0.110 -1.219 2.948) 3.192 24.859 ( -0.524 -0.738 -1.466) 1.723 42.209 ( 1.349 -16.903 8.913) 19.156 42.262 ( 0.429 -18.906 8.473) 20.722 42.911 ( -11.545 -5.864 -1.857) 13.081 43.040 ( -13.614 -7.042 -3.740) 15.777 44.148 ( -11.473 4.371 0.481) 12.287 44.491 ( -0.056 -2.573 -24.402) 24.537 49.988 ( 4.197 0.838 14.889) 15.492 50.428 ( 6.835 -1.162 1.559) 7.106 50.585 ( 2.969 2.139 -2.835) 4.629 50.885 ( -2.261 5.595 -2.406) 6.497 51.342 ( 0.986 -0.718 0.639) 1.377 51.433 ( -1.029 1.344 -0.458) 1.754 ======================= Grid point 105 (42/65) ======================= q-point: (-0.25 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 1.290 -12.764 7.055) 14.641 2.201 ( -8.902 -5.878 -1.390) 10.758 2.284 ( 1.637 -6.071 6.094) 8.756 2.457 ( -6.454 -0.338 4.896) 8.108 2.771 ( 4.748 4.954 0.485) 6.879 2.884 ( 2.177 5.094 -2.057) 5.909 3.014 ( 2.026 -2.723 3.616) 4.960 3.313 ( -5.498 6.255 -6.225) 10.397 3.546 ( -0.325 1.220 6.718) 6.836 3.580 ( -0.746 -0.939 6.855) 6.959 3.631 ( -0.604 -0.720 -6.030) 6.103 3.858 ( 7.601 -2.578 -16.691) 18.521 4.018 ( 3.606 1.686 5.517) 6.803 4.161 ( -3.317 7.326 -1.007) 8.104 4.172 ( 2.728 -0.963 5.535) 6.245 4.394 ( -5.308 2.902 -7.100) 9.328 4.830 ( -1.536 -9.319 7.884) 12.302 5.062 ( -6.221 -7.711 -7.604) 12.490 5.481 ( 11.496 -2.460 0.186) 11.757 5.624 ( -4.795 9.141 4.366) 11.207 5.802 ( -4.712 -0.581 -1.463) 4.968 5.845 ( -1.769 -0.319 -8.252) 8.445 6.229 ( 3.045 -0.697 1.291) 3.380 6.307 ( -1.489 1.757 -1.726) 2.878 6.846 ( -4.250 -0.652 9.672) 10.585 6.930 ( 2.602 -4.965 -2.964) 6.341 7.070 ( -1.279 1.260 0.325) 1.824 7.128 ( 8.316 4.062 -7.664) 12.016 8.762 ( -0.450 5.036 11.479) 12.543 8.909 ( 2.855 0.939 -5.491) 6.260 14.546 ( 4.367 -0.175 1.444) 4.603 14.628 ( -1.611 3.329 -0.531) 3.736 16.987 ( 1.420 -0.459 3.839) 4.119 17.058 ( 0.604 -1.068 3.815) 4.007 17.106 ( -0.299 0.846 -2.416) 2.578 17.215 ( -1.730 0.406 -5.172) 5.469 20.658 ( 0.708 -0.926 0.388) 1.229 20.690 ( -1.241 0.155 -0.647) 1.408 20.965 ( -0.604 -0.470 1.050) 1.299 20.988 ( -0.216 -0.877 -1.227) 1.523 21.081 ( 0.730 -1.633 -0.047) 1.790 21.111 ( -2.086 -0.211 -0.371) 2.129 23.302 ( -0.396 0.735 0.833) 1.179 23.306 ( 1.058 0.091 -0.679) 1.260 23.393 ( -0.005 -0.537 0.094) 0.545 23.411 ( -1.425 -0.128 -0.359) 1.475 23.508 ( 0.372 -0.646 1.442) 1.624 23.535 ( 1.328 -0.439 0.368) 1.447 23.568 ( -1.000 -0.211 -0.374) 1.088 23.601 ( -0.562 0.067 -1.483) 1.587 23.946 ( -0.073 0.051 3.703) 3.704 24.047 ( -0.395 0.223 -4.677) 4.699 24.753 ( -0.100 -1.213 2.923) 3.166 24.822 ( -0.869 -0.653 -2.305) 2.549 42.178 ( 3.076 -21.680 6.529) 22.850 42.204 ( 3.314 -17.593 5.861) 18.838 42.580 ( -20.517 -7.452 -6.718) 22.839 42.645 ( -23.662 -4.590 -8.281) 25.486 44.044 ( -14.343 4.533 8.818) 17.436 44.208 ( 5.483 -7.466 -23.084) 24.873 50.250 ( 5.669 3.405 14.294) 15.750 50.491 ( 3.927 1.431 -4.654) 6.255 50.674 ( 8.740 0.676 1.164) 8.843 50.853 ( -4.525 5.055 -2.192) 7.130 51.361 ( 1.845 -1.233 0.701) 2.327 51.415 ( -1.799 0.787 -0.645) 2.067 ======================= Grid point 106 (43/65) ======================= q-point: (-0.12 -0.50 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -9.054 -6.982 -5.541) 12.705 1.924 ( -1.520 -11.332 5.541) 12.705 2.350 ( 0.557 -4.201 -4.500) 6.181 2.350 ( -3.917 -1.618 4.500) 6.181 2.911 ( 2.571 3.887 -4.970) 6.813 2.911 ( 2.081 4.170 4.970) 6.813 3.233 ( 1.125 11.255 -10.129) 15.183 3.233 ( 9.184 6.601 10.129) 15.183 3.574 ( 2.309 -2.017 -4.021) 5.057 3.574 ( -2.902 0.991 4.021) 5.057 3.714 ( 0.967 -1.408 -13.920) 14.025 3.714 ( -1.703 0.133 13.920) 14.025 4.127 ( 2.621 -1.454 -5.395) 6.172 4.127 ( -2.570 1.543 5.395) 6.172 4.245 ( -3.894 -1.816 -6.252) 7.586 4.245 ( 0.374 -4.280 6.252) 7.586 4.833 ( -6.338 -4.067 -6.148) 9.722 4.833 ( -0.353 -7.523 6.148) 9.722 5.623 ( 11.494 -2.488 -0.877) 11.793 5.623 ( -7.902 8.710 0.877) 11.793 5.775 ( 7.482 -4.713 -7.692) 11.720 5.775 ( -7.823 4.123 7.692) 11.720 6.281 ( -0.073 1.158 -1.857) 2.190 6.281 ( 1.039 0.516 1.857) 2.190 6.846 ( 1.411 -6.940 -6.610) 9.688 6.846 ( -6.716 -2.248 6.610) 9.688 7.150 ( 5.315 1.897 -9.634) 11.165 7.150 ( -1.015 5.551 9.634) 11.165 8.898 ( 5.129 0.733 -8.196) 9.696 8.898 ( -1.929 4.808 8.196) 9.696 14.620 ( -3.062 3.799 -0.512) 4.906 14.620 ( 4.821 -0.752 0.512) 4.906 17.048 ( -0.890 1.123 -3.305) 3.602 17.048 ( 1.417 -0.210 3.305) 3.602 17.134 ( -1.882 0.288 -4.579) 4.959 17.134 ( 1.190 -1.486 4.579) 4.959 20.667 ( -1.297 0.359 -0.473) 1.426 20.667 ( 0.959 -0.944 0.473) 1.426 20.969 ( 0.665 -0.478 -1.468) 1.681 20.969 ( -0.747 0.337 1.468) 1.681 21.075 ( 0.191 -1.964 -0.452) 2.024 21.075 ( -1.796 -0.817 0.452) 2.024 23.315 ( 1.208 0.224 -0.972) 1.566 23.315 ( -0.410 1.158 0.972) 1.566 23.386 ( 0.047 -1.343 -0.584) 1.465 23.386 ( -1.186 -0.631 0.584) 1.465 23.527 ( -0.936 0.429 -1.383) 1.725 23.527 ( 0.840 -0.597 1.383) 1.725 23.576 ( -0.565 0.242 -1.763) 1.868 23.576 ( 0.493 -0.368 1.763) 1.868 23.991 ( -0.144 -0.088 -4.491) 4.494 23.991 ( -0.004 -0.169 4.491) 4.494 24.776 ( -0.915 -0.376 -2.729) 2.902 24.776 ( 0.132 -0.980 2.729) 2.902 42.114 ( -6.346 -14.369 -6.573) 17.028 42.114 ( -9.271 -12.681 6.573) 17.028 42.234 ( -11.803 -5.112 -5.195) 13.872 42.234 ( 1.475 -12.777 5.195) 13.872 44.027 ( 13.204 -11.675 -18.514) 25.562 44.027 ( -16.713 5.597 18.514) 25.562 50.479 ( 2.423 4.416 -8.729) 10.078 50.479 ( 2.613 4.306 8.729) 10.078 50.804 ( -4.752 5.048 -1.228) 7.040 50.804 ( 6.747 -1.591 1.228) 7.040 51.386 ( -2.034 0.862 -0.668) 2.308 51.386 ( 1.764 -1.330 0.668) 2.308 ======================= Grid point 113 (44/65) ======================= q-point: (-0.38 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 0.000 -14.761 3.383) 15.144 2.092 ( 0.000 -15.585 4.052) 16.103 2.471 ( 0.000 -2.795 -2.245) 3.586 2.641 ( -0.000 10.019 21.748) 23.945 2.681 ( -0.000 3.771 -4.837) 6.133 2.770 ( 0.000 -3.969 -4.382) 5.913 3.222 ( -0.000 3.520 1.711) 3.913 3.323 ( 0.000 -10.201 -14.795) 17.971 3.466 ( -0.000 5.330 12.646) 13.723 3.530 ( 0.000 -1.446 -11.042) 11.136 3.671 ( 0.000 -0.607 -1.175) 1.322 3.698 ( 0.000 -2.268 -3.349) 4.045 3.980 ( -0.000 4.492 1.461) 4.724 4.103 ( -0.000 0.118 1.536) 1.541 4.271 ( -0.000 13.645 0.791) 13.668 4.489 ( -0.000 3.765 -0.458) 3.793 4.928 ( 0.000 -10.267 4.041) 11.033 5.170 ( 0.000 -5.429 1.762) 5.708 5.235 ( 0.000 -3.863 -5.449) 6.680 5.701 ( -0.000 10.599 6.836) 12.612 5.766 ( 0.000 -5.631 -14.189) 15.265 5.998 ( -0.000 3.019 -3.669) 4.751 6.177 ( 0.000 -2.041 1.107) 2.321 6.342 ( -0.000 2.302 0.133) 2.306 6.846 ( 0.000 -5.730 -5.776) 8.137 6.913 ( -0.000 0.710 12.652) 12.672 6.981 ( -0.000 2.951 -1.379) 3.257 7.104 ( -0.000 1.378 -2.772) 3.096 8.768 ( -0.000 5.917 12.440) 13.775 8.871 ( 0.000 0.864 -6.495) 6.552 14.482 ( -0.000 -0.265 2.293) 2.308 14.652 ( -0.000 3.876 -0.107) 3.877 16.966 ( -0.000 -0.750 4.052) 4.121 17.048 ( -0.000 -1.165 5.000) 5.134 17.112 ( 0.000 0.954 -3.434) 3.564 17.240 ( 0.000 0.693 -5.482) 5.525 20.647 ( 0.000 -1.046 0.346) 1.102 20.709 ( 0.000 0.083 -0.670) 0.675 20.972 ( 0.000 -0.742 0.715) 1.030 20.995 ( 0.000 -1.169 -0.774) 1.402 21.067 ( 0.000 -1.746 -0.560) 1.833 21.142 ( 0.000 -0.079 -0.830) 0.833 23.289 ( 0.000 -0.044 -0.782) 0.783 23.310 ( -0.000 0.571 0.945) 1.104 23.390 ( 0.000 -0.195 -0.408) 0.452 23.441 ( -0.000 0.868 -1.047) 1.360 23.498 ( 0.000 -1.158 1.049) 1.563 23.511 ( 0.000 -1.373 2.373) 2.741 23.584 ( 0.000 0.044 -1.159) 1.159 23.611 ( 0.000 -0.056 -1.240) 1.241 23.947 ( -0.000 0.214 3.394) 3.401 24.053 ( 0.000 0.350 -5.012) 5.024 24.755 ( 0.000 -1.486 2.936) 3.291 24.834 ( 0.000 -0.788 -2.373) 2.500 42.108 ( 0.000 -21.373 3.704) 21.692 42.157 ( 0.000 -21.339 2.808) 21.523 42.936 ( 0.000 -4.155 -2.655) 4.931 43.039 ( 0.000 -7.074 -4.915) 8.614 44.015 ( 0.000 -12.168 -31.490) 33.760 44.328 ( -0.000 5.876 -2.706) 6.470 50.172 ( -0.000 2.758 18.285) 18.491 50.395 ( 0.000 -2.251 3.433) 4.105 50.549 ( -0.000 4.764 -3.965) 6.199 50.920 ( -0.000 4.616 -1.759) 4.940 51.331 ( 0.000 -1.335 0.394) 1.392 51.441 ( -0.000 0.582 -0.750) 0.950 ======================= Grid point 114 (45/65) ======================= q-point: (-0.25 -0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 6.011 -17.481 -3.964) 18.906 1.997 ( 5.890 -18.223 -4.296) 19.627 2.374 ( -7.483 -4.057 -1.578) 8.657 2.546 ( -3.353 0.256 -9.024) 9.630 2.808 ( 1.736 2.963 5.573) 6.546 2.970 ( -5.418 0.735 -9.405) 10.879 2.980 ( 2.688 4.087 9.048) 10.286 3.352 ( 2.009 9.431 -1.325) 9.733 3.412 ( 5.939 -2.481 -10.390) 12.222 3.624 ( 2.472 -0.606 -1.750) 3.089 3.655 ( -1.091 -1.386 0.788) 1.931 3.703 ( 0.740 -1.395 11.483) 11.591 4.015 ( -1.336 1.929 0.922) 2.521 4.137 ( 4.248 1.506 1.264) 4.681 4.367 ( -5.497 11.654 3.034) 13.238 4.451 ( -6.233 0.548 -3.498) 7.168 4.885 ( -2.713 -9.058 9.311) 13.270 5.045 ( -7.297 -4.004 -3.406) 8.993 5.292 ( 11.099 -3.458 -0.738) 11.649 5.592 ( 4.000 -6.496 -11.048) 13.426 5.826 ( -4.662 9.838 4.172) 11.659 5.957 ( -4.433 3.840 -0.123) 5.866 6.195 ( 2.499 -0.966 1.276) 2.967 6.346 ( -2.100 1.480 0.457) 2.610 6.760 ( 3.743 -6.592 -6.372) 9.902 6.988 ( 0.802 -0.615 -0.093) 1.015 7.029 ( -2.507 0.459 2.955) 3.903 7.128 ( 2.495 3.019 7.832) 8.757 8.806 ( 1.566 1.099 -8.297) 8.514 8.942 ( -0.956 7.346 9.247) 11.848 14.519 ( 1.986 -0.712 2.326) 3.140 14.683 ( -1.252 5.063 0.528) 5.242 17.011 ( 0.766 -0.720 3.841) 3.983 17.076 ( -0.876 0.874 -1.527) 1.965 17.103 ( 0.941 -1.117 3.609) 3.893 17.176 ( -0.865 0.667 -5.669) 5.773 20.645 ( 0.469 -1.054 0.291) 1.190 20.697 ( -0.636 0.197 -0.782) 1.027 20.962 ( -0.095 -1.473 -1.114) 1.849 20.983 ( -0.309 -0.126 0.661) 0.741 21.046 ( 0.860 -2.668 -0.894) 2.942 21.125 ( -0.960 -0.331 -0.592) 1.175 23.285 ( 0.667 0.052 -0.757) 1.010 23.325 ( -0.244 0.792 1.081) 1.362 23.379 ( 0.196 -1.240 -0.768) 1.471 23.427 ( -1.219 0.530 -0.661) 1.485 23.506 ( 0.891 -0.800 0.438) 1.275 23.525 ( 0.177 -1.446 1.430) 2.041 23.573 ( -0.185 0.117 -0.316) 0.384 23.596 ( -0.466 0.509 -0.888) 1.125 23.990 ( 0.067 0.117 3.910) 3.912 23.996 ( -0.110 -0.084 -4.997) 4.999 24.774 ( 0.035 -1.460 2.567) 2.953 24.795 ( -0.392 -0.665 -2.960) 3.059 41.959 ( 2.823 -24.889 -0.872) 25.064 42.014 ( 4.761 -20.875 -1.112) 21.440 42.731 ( -17.066 -6.289 -6.173) 19.207 42.801 ( -15.506 -4.251 -8.146) 18.024 43.621 ( 13.308 -14.721 -30.269) 36.194 44.349 ( -5.073 4.467 6.193) 9.168 50.360 ( 0.617 1.367 7.330) 7.482 50.472 ( 3.950 0.491 7.983) 8.920 50.590 ( 3.983 5.601 -1.097) 6.959 50.920 ( -2.387 3.948 -1.287) 4.790 51.333 ( 1.298 -1.553 0.569) 2.103 51.429 ( -0.822 0.288 -0.782) 1.170 ======================= Grid point 122 (46/65) ======================= q-point: (-0.25 -0.25 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 -22.096 -6.504) 23.033 1.702 ( 0.000 -19.610 -13.261) 23.672 2.383 ( 0.000 -3.329 -2.216) 3.999 2.389 ( 0.000 -6.534 -15.965) 17.250 2.644 ( 0.000 -16.238 -16.376) 23.062 2.953 ( -0.000 8.273 4.440) 9.389 3.172 ( -0.000 7.192 8.362) 11.030 3.269 ( 0.000 -1.710 -6.595) 6.814 3.476 ( -0.000 18.093 3.903) 18.510 3.597 ( -0.000 2.006 0.136) 2.010 3.644 ( 0.000 -2.325 -0.650) 2.415 3.765 ( 0.000 -3.315 3.595) 4.890 4.045 ( 0.000 -2.567 -1.273) 2.865 4.238 ( -0.000 8.015 15.480) 17.432 4.435 ( 0.000 -2.803 -5.573) 6.238 4.507 ( -0.000 9.067 -1.303) 9.160 4.968 ( -0.000 -3.549 10.463) 11.049 5.106 ( 0.000 -5.319 -0.050) 5.320 5.119 ( 0.000 -2.845 0.116) 2.848 5.400 ( 0.000 -4.659 -8.061) 9.311 6.000 ( -0.000 5.048 -2.345) 5.566 6.004 ( -0.000 9.343 5.081) 10.635 6.183 ( 0.000 -1.213 2.190) 2.504 6.377 ( -0.000 -0.352 1.130) 1.183 6.615 ( 0.000 -6.328 -5.234) 8.212 6.923 ( 0.000 -2.445 -4.487) 5.110 7.067 ( -0.000 0.947 -1.715) 1.960 7.292 ( -0.000 -0.234 20.402) 20.403 8.706 ( 0.000 1.211 -9.192) 9.272 9.093 ( -0.000 9.387 3.360) 9.971 14.527 ( -0.000 -0.981 2.567) 2.748 14.749 ( -0.000 6.183 1.209) 6.300 17.031 ( -0.000 0.283 0.426) 0.512 17.079 ( -0.000 1.034 0.670) 1.232 17.126 ( 0.000 0.504 -4.759) 4.785 17.133 ( 0.000 -1.878 4.159) 4.564 20.636 ( 0.000 -1.141 0.188) 1.157 20.693 ( 0.000 0.141 -0.887) 0.898 20.935 ( 0.000 -1.857 -1.426) 2.342 20.994 ( -0.000 0.146 0.783) 0.796 21.000 ( 0.000 -3.447 -1.353) 3.703 21.123 ( 0.000 -0.413 -0.262) 0.490 23.273 ( 0.000 0.100 -0.569) 0.578 23.345 ( -0.000 0.729 1.070) 1.294 23.354 ( 0.000 -1.691 -1.083) 2.008 23.434 ( -0.000 1.066 -1.016) 1.472 23.493 ( 0.000 -0.624 0.003) 0.624 23.525 ( 0.000 -2.403 1.129) 2.655 23.571 ( -0.000 0.205 -0.311) 0.373 23.602 ( -0.000 0.674 0.457) 0.815 23.940 ( 0.000 -0.442 -4.530) 4.552 24.032 ( -0.000 0.224 3.421) 3.429 24.758 ( 0.000 -0.533 -3.142) 3.187 24.787 ( 0.000 -1.461 1.979) 2.460 41.720 ( 0.000 -24.964 -2.987) 25.142 41.737 ( 0.000 -22.972 -7.059) 24.032 42.773 ( 0.000 1.382 -11.321) 11.405 42.801 ( 0.000 -11.539 -0.739) 11.562 42.995 ( 0.000 -15.022 -33.065) 36.318 44.467 ( -0.000 2.133 6.609) 6.945 50.447 ( -0.000 2.578 0.261) 2.591 50.451 ( 0.000 -2.834 5.452) 6.145 50.688 ( -0.000 7.908 7.279) 10.748 50.953 ( -0.000 3.099 -0.912) 3.230 51.318 ( 0.000 -1.461 0.657) 1.602 51.428 ( 0.000 0.176 -0.523) 0.552 ======================= Grid point 151 (47/65) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -0.000 0.000 22.432) 22.432 1.688 ( -0.000 0.000 22.432) 22.432 2.692 ( 0.000 0.000 7.138) 7.138 2.692 ( -0.000 0.000 7.138) 7.138 2.763 ( 0.000 -0.000 -34.773) 34.773 2.858 ( -0.000 0.000 20.720) 20.720 3.098 ( 0.000 -0.000 -5.085) 5.085 3.098 ( 0.000 -0.000 -5.085) 5.085 3.508 ( 0.000 0.000 -0.979) 0.979 3.508 ( 0.000 -0.000 -0.979) 0.979 3.752 ( -0.000 0.000 10.040) 10.040 3.879 ( 0.000 0.000 -1.209) 1.209 3.879 ( -0.000 -0.000 -1.209) 1.209 4.243 ( -0.000 0.000 0.578) 0.578 4.363 ( 0.000 -0.000 -8.920) 8.920 4.363 ( 0.000 -0.000 -8.920) 8.920 4.859 ( -0.000 0.000 1.403) 1.403 5.216 ( 0.000 -0.000 1.382) 1.382 5.216 ( -0.000 0.000 1.382) 1.382 5.505 ( -0.000 0.000 13.304) 13.304 6.060 ( 0.000 -0.000 -5.954) 5.954 6.060 ( 0.000 -0.000 -5.954) 5.954 6.348 ( 0.000 -0.000 2.712) 2.712 6.348 ( -0.000 0.000 2.712) 2.712 6.454 ( -0.000 0.000 9.845) 9.845 6.921 ( 0.000 0.000 -3.532) 3.532 6.921 ( 0.000 -0.000 -3.532) 3.532 7.135 ( -0.000 0.000 6.792) 6.792 8.883 ( 0.000 -0.000 -22.439) 22.439 8.936 ( -0.000 0.000 3.302) 3.302 14.389 ( 0.000 -0.000 -1.900) 1.900 14.782 ( 0.000 -0.000 -4.839) 4.839 16.910 ( 0.000 -0.000 -2.619) 2.619 16.910 ( 0.000 -0.000 -2.619) 2.619 17.253 ( -0.000 0.000 2.375) 2.375 17.253 ( -0.000 0.000 2.375) 2.375 20.665 ( -0.000 0.000 1.361) 1.361 20.736 ( -0.000 0.000 0.786) 0.786 20.959 ( -0.000 0.000 2.362) 2.362 20.959 ( -0.000 0.000 2.362) 2.362 21.070 ( 0.000 -0.000 0.932) 0.932 21.070 ( -0.000 0.000 0.932) 0.932 23.324 ( -0.000 0.000 0.646) 0.646 23.324 ( -0.000 -0.000 0.646) 0.646 23.366 ( 0.000 -0.000 -0.595) 0.595 23.366 ( -0.000 0.000 -0.595) 0.595 23.467 ( 0.000 0.000 0.196) 0.196 23.467 ( -0.000 -0.000 0.196) 0.196 23.649 ( -0.000 0.000 1.542) 1.542 23.649 ( -0.000 -0.000 1.542) 1.542 23.931 ( 0.000 -0.000 -3.865) 3.865 24.086 ( -0.000 0.000 3.899) 3.899 24.691 ( 0.000 -0.000 -0.907) 0.907 24.857 ( -0.000 0.000 2.495) 2.495 41.950 ( -0.000 0.000 24.860) 24.860 41.950 ( -0.000 0.000 24.860) 24.860 42.814 ( -0.000 0.000 9.659) 9.659 43.636 ( -0.000 -0.000 21.050) 21.050 43.636 ( -0.000 0.000 21.050) 21.050 44.251 ( 0.000 -0.000 -1.631) 1.631 50.254 ( 0.000 -0.000 -3.843) 3.843 50.254 ( 0.000 -0.000 -3.843) 3.843 50.700 ( 0.000 -0.000 -6.471) 6.471 50.700 ( 0.000 -0.000 -6.471) 6.471 51.261 ( -0.000 0.000 0.572) 0.572 51.333 ( 0.000 -0.000 -1.335) 1.335 ======================= Grid point 152 (48/65) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 3.719 2.147 19.572) 20.037 1.940 ( -1.584 -0.915 16.204) 16.307 2.376 ( -3.924 -2.266 -19.954) 20.462 2.582 ( -12.136 -7.007 6.062) 15.269 2.940 ( 9.967 5.754 6.086) 13.019 2.959 ( -4.445 -2.567 3.880) 6.435 2.983 ( -2.167 -1.251 -6.105) 6.598 3.229 ( 8.779 5.068 4.578) 11.122 3.506 ( 3.390 1.957 -2.368) 4.575 3.547 ( 2.051 1.184 -1.694) 2.912 3.701 ( -5.840 -3.372 -1.743) 6.965 3.785 ( -5.228 -3.019 3.305) 6.882 4.054 ( 8.575 4.951 0.439) 9.911 4.175 ( -0.368 -0.212 -6.304) 6.319 4.236 ( -1.618 -0.934 -0.484) 1.930 4.309 ( -1.518 -0.876 -10.385) 10.532 4.859 ( -2.230 -1.288 4.222) 4.945 5.110 ( -7.754 -4.477 3.240) 9.522 5.382 ( 9.076 5.240 2.733) 10.830 5.640 ( 1.442 0.833 7.392) 7.577 5.943 ( -2.769 -1.599 -7.298) 7.968 6.004 ( -1.839 -1.062 -3.928) 4.466 6.272 ( -3.749 -2.164 1.377) 4.542 6.509 ( 4.074 2.352 6.565) 8.076 6.579 ( 2.458 1.419 8.352) 8.821 6.787 ( -5.176 -2.988 -5.012) 7.800 6.958 ( 3.573 2.063 -3.145) 5.188 7.218 ( 3.028 1.748 3.382) 4.865 8.642 ( -0.970 -0.560 -17.400) 17.436 8.963 ( 0.197 0.114 1.231) 1.252 14.390 ( 1.770 1.022 -0.756) 2.179 14.721 ( -0.800 -0.462 -4.484) 4.579 16.889 ( 0.334 0.193 -0.943) 1.019 16.904 ( 0.964 0.557 -0.777) 1.357 17.244 ( -1.479 -0.854 0.660) 1.831 17.291 ( 0.619 0.357 1.211) 1.406 20.673 ( -0.522 -0.302 1.117) 1.270 20.739 ( -0.458 -0.264 0.366) 0.643 20.989 ( 0.625 0.361 1.799) 1.938 20.993 ( 0.633 0.366 2.390) 2.499 21.049 ( -1.674 -0.967 0.577) 2.017 21.101 ( 0.579 0.334 0.745) 1.001 23.321 ( -0.182 -0.105 -0.372) 0.427 23.334 ( -1.208 -0.697 -0.085) 1.397 23.338 ( 0.579 0.334 -0.002) 0.668 23.393 ( 1.556 0.898 -0.485) 1.861 23.466 ( -0.348 -0.201 1.430) 1.485 23.482 ( 0.642 0.371 0.428) 0.856 23.652 ( -0.939 -0.542 0.925) 1.425 23.662 ( -0.410 -0.236 0.922) 1.036 23.892 ( -0.202 -0.117 -2.445) 2.456 24.121 ( 0.244 0.141 1.693) 1.717 24.689 ( -0.033 -0.019 0.507) 0.508 24.878 ( -0.353 -0.204 1.799) 1.844 42.136 ( -5.654 -3.265 24.554) 25.407 42.265 ( -0.153 -0.088 23.610) 23.611 42.895 ( -4.180 -2.413 10.583) 11.631 43.523 ( -20.378 -11.765 12.693) 26.736 44.069 ( 10.839 6.258 19.400) 23.087 44.227 ( -1.580 -0.912 -5.652) 5.939 50.159 ( -2.659 -1.535 -6.186) 6.906 50.285 ( 4.672 2.697 0.576) 5.425 50.643 ( 2.743 1.583 -3.785) 4.935 50.684 ( 3.157 1.823 -6.381) 7.349 51.279 ( 0.830 0.479 1.244) 1.571 51.335 ( 1.154 0.666 -0.542) 1.438 ======================= Grid point 153 (49/65) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -10.892 -6.288 0.878) 12.607 2.258 ( 10.211 5.895 14.555) 18.732 2.302 ( -1.712 -0.988 8.245) 8.478 2.388 ( -14.594 -8.426 4.251) 17.379 2.875 ( -5.537 -3.197 -1.970) 6.690 2.894 ( 0.464 0.268 -4.784) 4.814 3.176 ( 5.486 3.167 6.052) 8.761 3.372 ( 3.630 2.096 -0.959) 4.300 3.452 ( -5.571 -3.216 -3.812) 7.477 3.498 ( -4.961 -2.864 -0.140) 5.730 3.701 ( 4.148 2.395 -2.910) 5.605 3.731 ( 4.033 2.329 -2.520) 5.295 4.103 ( -6.312 -3.644 -7.861) 10.719 4.185 ( -2.437 -1.407 -1.707) 3.291 4.203 ( 6.684 3.859 0.645) 7.745 4.218 ( 6.635 3.831 -1.336) 7.778 4.902 ( -0.185 -0.107 7.856) 7.859 5.019 ( -6.653 -3.841 5.095) 9.218 5.585 ( 8.655 4.997 2.961) 10.423 5.690 ( -0.865 -0.500 -2.665) 2.846 5.829 ( -0.070 -0.041 -4.906) 4.907 5.885 ( -7.373 -4.257 -2.080) 8.764 6.243 ( -0.402 -0.232 -0.052) 0.467 6.616 ( -2.148 -1.240 9.129) 9.460 6.628 ( -4.822 -2.784 -5.987) 8.176 6.732 ( 6.499 3.752 3.481) 8.273 6.976 ( 1.499 0.865 -2.256) 2.843 7.326 ( 6.955 4.015 -1.004) 8.093 8.491 ( 0.170 0.098 -7.464) 7.466 8.970 ( 0.241 0.139 -0.605) 0.666 14.440 ( 3.797 2.192 0.287) 4.393 14.659 ( -0.874 -0.505 -3.638) 3.776 16.899 ( 0.940 0.542 0.646) 1.263 16.928 ( 1.333 0.770 1.290) 2.008 17.214 ( -1.451 -0.838 -1.038) 1.971 17.300 ( -0.207 -0.120 -0.390) 0.457 20.674 ( -0.533 -0.308 0.899) 1.090 20.727 ( -0.993 -0.573 -0.098) 1.151 21.010 ( -0.709 -0.410 0.724) 1.093 21.026 ( -0.845 -0.488 0.481) 1.088 21.035 ( 0.989 0.571 2.242) 2.517 21.105 ( -0.735 -0.425 0.375) 0.929 23.299 ( -0.857 -0.495 -0.815) 1.282 23.330 ( 0.269 0.155 0.036) 0.312 23.350 ( 0.722 0.417 0.150) 0.848 23.401 ( -0.000 -0.000 -0.615) 0.615 23.493 ( 0.869 0.502 2.212) 2.429 23.497 ( 0.355 0.205 0.436) 0.598 23.635 ( -1.482 -0.856 0.199) 1.723 23.655 ( -0.944 -0.545 0.006) 1.090 23.873 ( -0.070 -0.040 -0.564) 0.570 24.131 ( 0.169 0.098 -0.714) 0.740 24.699 ( -0.304 -0.175 1.829) 1.862 24.882 ( -0.831 -0.480 0.839) 1.275 42.289 ( -5.194 -2.999 20.933) 21.775 42.452 ( -7.460 -4.307 21.521) 23.181 42.883 ( -10.210 -5.895 12.116) 16.906 43.214 ( -23.645 -13.652 6.747) 28.124 43.997 ( -13.305 -7.682 -10.680) 18.711 44.411 ( 7.516 4.339 9.017) 12.515 50.072 ( 0.410 0.237 -3.255) 3.290 50.432 ( 8.325 4.807 3.118) 10.106 50.669 ( 2.298 1.327 -5.613) 6.209 50.682 ( 4.756 2.746 -3.569) 6.549 51.317 ( 1.471 0.849 1.528) 2.284 51.353 ( 0.942 0.544 -0.224) 1.110 ======================= Grid point 154 (50/65) ======================= q-point: (-0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -11.992 -6.924 17.091) 21.997 2.135 ( -16.927 -9.773 3.039) 19.780 2.334 ( -4.612 -2.663 7.798) 9.443 2.589 ( 1.737 1.003 11.132) 11.311 2.740 ( 5.374 3.103 -7.985) 10.112 2.895 ( 2.796 1.614 -2.689) 4.201 3.157 ( -9.140 -5.277 -0.954) 10.597 3.321 ( -0.444 -0.256 -6.649) 6.669 3.341 ( -7.221 -4.169 -0.586) 8.359 3.489 ( 0.725 0.418 3.864) 3.954 3.689 ( 1.531 0.884 -2.787) 3.301 3.814 ( 3.374 1.948 1.226) 4.084 3.998 ( -0.221 -0.127 -2.046) 2.061 4.180 ( 4.381 2.529 0.556) 5.089 4.252 ( 7.341 4.238 -11.735) 14.477 4.365 ( 4.029 2.326 4.308) 6.340 4.983 ( -3.697 -2.135 5.829) 7.225 5.016 ( 1.629 0.940 9.285) 9.473 5.549 ( -5.525 -3.190 -8.724) 10.808 5.679 ( -9.333 -5.388 -2.276) 11.015 5.768 ( 4.640 2.679 3.474) 6.386 5.838 ( 5.559 3.209 -5.290) 8.318 6.241 ( 0.157 0.091 -0.530) 0.560 6.489 ( -2.769 -1.599 -5.738) 6.569 6.645 ( -3.506 -2.024 6.283) 7.475 6.884 ( 5.437 3.139 3.375) 7.128 6.965 ( -0.788 -0.455 -0.694) 1.145 7.435 ( 9.030 5.214 -7.734) 12.983 8.483 ( 1.422 0.821 2.706) 3.166 8.966 ( 0.797 0.460 -1.140) 1.466 14.533 ( 5.403 3.120 0.691) 6.277 14.608 ( -0.655 -0.378 -2.843) 2.942 16.935 ( 1.304 0.753 1.898) 2.422 16.980 ( 1.467 0.847 3.201) 3.621 17.169 ( -1.191 -0.688 -2.508) 2.861 17.274 ( -1.062 -0.613 -2.152) 2.477 20.676 ( -0.252 -0.146 0.789) 0.841 20.700 ( -1.435 -0.829 -0.509) 1.734 20.984 ( -2.031 -1.173 0.606) 2.422 21.023 ( -0.267 -0.154 -0.296) 0.427 21.075 ( 0.034 0.020 1.554) 1.555 21.086 ( -0.891 -0.515 0.560) 1.172 23.279 ( -0.585 -0.338 -0.378) 0.774 23.337 ( 0.680 0.393 -0.437) 0.898 23.371 ( 0.946 0.546 0.721) 1.308 23.388 ( -0.898 -0.518 0.033) 1.037 23.504 ( -0.100 -0.058 0.361) 0.379 23.535 ( 1.012 0.584 1.791) 2.138 23.605 ( -1.511 -0.872 -0.350) 1.779 23.629 ( -1.036 -0.598 -1.027) 1.577 23.877 ( -0.000 -0.000 1.410) 1.410 24.112 ( -0.176 -0.101 -2.491) 2.500 24.716 ( -0.590 -0.341 2.619) 2.706 24.865 ( -1.260 -0.728 -0.254) 1.477 42.397 ( -6.123 -3.535 14.578) 16.202 42.416 ( -19.063 -11.006 14.375) 26.290 42.814 ( -23.839 -13.763 3.779) 27.785 42.843 ( -11.294 -6.521 19.491) 23.452 43.544 ( -19.616 -11.325 -11.592) 25.444 44.538 ( 3.557 2.054 -3.487) 5.388 50.125 ( 5.053 2.917 3.256) 6.682 50.617 ( 2.968 1.713 -1.297) 3.664 50.657 ( 6.509 3.758 -0.248) 7.520 50.714 ( 4.205 2.428 -6.277) 7.936 51.359 ( -0.041 -0.024 -0.255) 0.259 51.364 ( 1.627 0.940 1.432) 2.363 ======================= Grid point 155 (51/65) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( -13.982 -8.073 25.914) 30.532 1.820 ( -19.997 -11.545 2.805) 23.261 2.335 ( -3.198 -1.847 6.979) 7.896 2.471 ( -7.892 -4.556 -0.055) 9.113 2.830 ( -14.484 -8.363 5.235) 17.525 2.958 ( -1.172 -0.677 -8.134) 8.246 3.025 ( 17.817 10.287 -2.593) 20.736 3.235 ( -3.541 -2.045 5.011) 6.467 3.292 ( 5.095 2.942 -4.477) 7.393 3.551 ( 1.762 1.018 2.472) 3.202 3.691 ( -1.748 -1.009 -0.210) 2.029 3.843 ( -2.668 -1.541 1.649) 3.495 4.011 ( 1.594 0.920 2.229) 2.890 4.249 ( 9.986 5.765 -16.615) 20.224 4.331 ( 9.281 5.358 0.749) 10.743 4.432 ( -1.326 -0.766 3.444) 3.769 5.002 ( -0.869 -0.502 4.233) 4.350 5.134 ( 0.197 0.114 5.954) 5.958 5.315 ( -6.708 -3.873 -11.902) 14.200 5.467 ( -10.269 -5.929 1.455) 11.947 5.892 ( 4.292 2.478 2.783) 5.684 5.906 ( 8.000 4.619 -5.292) 10.646 6.226 ( -0.669 -0.386 -1.710) 1.877 6.406 ( -0.556 -0.321 -3.545) 3.603 6.640 ( -3.962 -2.287 5.588) 7.222 6.936 ( -2.411 -1.392 1.491) 3.158 7.003 ( 3.316 1.915 2.838) 4.767 7.451 ( 6.273 3.622 -16.582) 18.095 8.579 ( 1.635 0.944 8.228) 8.442 8.995 ( 3.670 2.119 -0.317) 4.250 14.568 ( -0.591 -0.341 -2.476) 2.568 14.647 ( 6.008 3.469 0.159) 6.940 16.987 ( 1.425 0.822 2.653) 3.121 17.051 ( 1.299 0.750 4.605) 4.843 17.116 ( -0.733 -0.423 -3.527) 3.627 17.214 ( -1.712 -0.988 -3.683) 4.180 20.665 ( -1.518 -0.876 -0.631) 1.863 20.682 ( 0.004 0.002 0.789) 0.789 20.955 ( -1.959 -1.131 0.970) 2.462 21.008 ( -0.442 -0.255 -0.896) 1.031 21.043 ( -2.740 -1.582 0.755) 3.253 21.113 ( 0.705 0.407 0.970) 1.267 23.270 ( -0.213 -0.123 0.146) 0.286 23.343 ( 0.729 0.421 -0.832) 1.184 23.371 ( -1.331 -0.769 0.688) 1.684 23.401 ( 1.132 0.654 1.150) 1.741 23.502 ( -0.501 -0.289 0.284) 0.644 23.558 ( -0.750 -0.433 0.949) 1.285 23.578 ( -0.806 -0.465 -0.390) 1.009 23.602 ( 0.259 0.149 -1.743) 1.769 23.902 ( -0.145 -0.084 3.171) 3.176 24.073 ( -0.385 -0.222 -3.283) 3.313 24.735 ( -0.678 -0.392 2.954) 3.056 24.831 ( -1.441 -0.832 -1.265) 2.090 42.102 ( -24.940 -14.399 6.958) 29.627 42.174 ( -25.355 -14.639 0.052) 29.278 42.644 ( -3.560 -2.055 12.268) 12.938 42.893 ( -12.422 -7.172 27.926) 31.394 43.091 ( -16.601 -9.584 -6.545) 20.256 44.513 ( 2.501 1.444 -8.811) 9.272 50.304 ( 6.603 3.812 7.029) 10.370 50.554 ( -1.695 -0.979 -5.562) 5.896 50.697 ( 3.924 2.266 -9.741) 10.744 50.839 ( 6.913 3.991 2.967) 8.516 51.346 ( -0.922 -0.532 -0.454) 1.158 51.405 ( 1.180 0.681 1.136) 1.774 ======================= Grid point 160 (52/65) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 0.000 -12.144 7.698) 14.378 2.168 ( -0.000 -2.976 17.676) 17.925 2.279 ( -0.000 4.033 1.950) 4.480 2.695 ( 0.000 -7.976 3.154) 8.577 2.885 ( 0.000 -6.121 -2.644) 6.668 2.984 ( -0.000 8.840 8.549) 12.297 3.051 ( -0.000 2.752 -3.995) 4.851 3.259 ( -0.000 2.929 8.879) 9.350 3.434 ( 0.000 -0.568 -4.242) 4.280 3.542 ( -0.000 3.177 -3.470) 4.705 3.681 ( 0.000 -3.385 -2.138) 4.004 3.905 ( 0.000 -5.291 -3.657) 6.432 3.920 ( -0.000 0.155 2.896) 2.900 4.054 ( 0.000 -1.966 -5.958) 6.274 4.247 ( -0.000 5.658 -11.190) 12.539 4.272 ( -0.000 6.505 -2.254) 6.885 4.902 ( 0.000 -3.958 6.462) 7.578 5.229 ( -0.000 0.215 3.710) 3.717 5.342 ( -0.000 0.808 4.430) 4.503 5.700 ( -0.000 2.953 1.699) 3.407 5.836 ( 0.000 -5.573 -8.246) 9.953 5.990 ( -0.000 5.032 -5.252) 7.274 6.292 ( 0.000 -6.930 3.211) 7.638 6.573 ( -0.000 9.345 4.040) 10.181 6.669 ( 0.000 -3.159 7.393) 8.040 6.741 ( 0.000 -4.716 -3.971) 6.165 6.922 ( -0.000 4.779 -3.148) 5.722 7.219 ( -0.000 0.674 -0.502) 0.841 8.488 ( 0.000 -0.523 -8.979) 8.994 8.966 ( 0.000 0.137 -0.596) 0.611 14.384 ( -0.000 1.273 0.404) 1.335 14.672 ( 0.000 -0.385 -4.364) 4.381 16.886 ( -0.000 -0.180 1.056) 1.072 16.908 ( -0.000 1.182 1.257) 1.725 17.239 ( 0.000 -2.044 -0.941) 2.250 17.299 ( -0.000 1.612 -0.772) 1.787 20.684 ( 0.000 -0.871 0.945) 1.286 20.741 ( 0.000 -0.421 -0.027) 0.422 21.004 ( -0.000 -0.303 1.723) 1.749 21.024 ( -0.000 1.302 2.045) 2.424 21.051 ( 0.000 -2.414 0.529) 2.471 21.115 ( -0.000 1.601 0.376) 1.644 23.312 ( 0.000 -0.697 -0.529) 0.875 23.332 ( 0.000 -1.336 -0.189) 1.349 23.340 ( -0.000 1.228 -0.258) 1.254 23.389 ( -0.000 2.020 -0.653) 2.123 23.487 ( -0.000 -0.157 2.007) 2.014 23.488 ( -0.000 -0.239 1.487) 1.506 23.658 ( 0.000 -1.122 0.158) 1.133 23.669 ( 0.000 -0.424 0.182) 0.461 23.874 ( 0.000 0.123 -0.966) 0.974 24.126 ( -0.000 0.609 -0.941) 1.121 24.704 ( -0.000 -0.304 2.258) 2.278 24.894 ( -0.000 -0.387 1.015) 1.086 42.408 ( -0.000 -9.448 24.029) 25.819 42.505 ( -0.000 -6.616 24.773) 25.641 43.037 ( -0.000 -1.446 11.042) 11.136 43.686 ( 0.000 -18.764 5.641) 19.594 44.087 ( -0.000 2.061 0.833) 2.223 44.325 ( -0.000 15.923 2.705) 16.151 50.081 ( 0.000 -9.048 -2.578) 9.408 50.283 ( -0.000 3.054 2.262) 3.800 50.585 ( -0.000 1.808 -3.514) 3.952 50.647 ( -0.000 7.670 -5.511) 9.445 51.295 ( -0.000 0.601 1.731) 1.832 51.338 ( -0.000 1.988 0.220) 2.000 ======================= Grid point 161 (53/65) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -3.504 -9.668 14.281) 17.598 2.303 ( 2.412 -6.359 13.080) 14.742 2.397 ( 0.501 -4.480 9.513) 10.526 2.582 ( -9.137 -4.198 2.900) 10.465 2.821 ( 1.183 -2.603 -2.919) 4.087 2.965 ( -9.416 1.310 0.096) 9.507 3.203 ( 4.390 3.005 6.911) 8.722 3.320 ( -0.238 0.277 -4.748) 4.762 3.383 ( 1.857 -5.203 -1.017) 5.618 3.563 ( 3.868 3.014 1.192) 5.047 3.666 ( 0.844 4.903 -4.409) 6.648 3.723 ( -7.944 2.250 -2.923) 8.758 4.006 ( 3.894 -1.252 -5.751) 7.057 4.020 ( 5.670 -4.490 -4.570) 8.555 4.170 ( 1.052 3.293 -4.491) 5.668 4.288 ( -1.516 9.273 -3.146) 9.909 4.960 ( 0.259 -3.899 8.641) 9.484 5.194 ( -8.154 1.764 5.612) 10.055 5.485 ( 10.086 -2.409 2.938) 10.778 5.665 ( -2.829 -4.361 -7.161) 8.849 5.751 ( 1.610 4.875 -4.103) 6.573 5.944 ( -3.861 4.012 -5.469) 7.804 6.256 ( -2.145 -4.238 2.597) 5.413 6.579 ( -3.016 -6.760 -5.608) 9.287 6.726 ( 2.835 5.980 5.220) 8.429 6.739 ( -0.389 0.497 4.067) 4.116 6.944 ( 1.924 3.700 -2.547) 4.887 7.227 ( 4.362 0.475 -4.463) 6.259 8.453 ( 0.607 0.579 1.859) 2.040 8.952 ( 0.247 0.285 -2.485) 2.514 14.421 ( 2.204 1.643 1.335) 3.056 14.622 ( -0.287 0.107 -3.731) 3.743 16.909 ( 0.481 -0.099 2.608) 2.654 16.947 ( 0.693 1.063 3.251) 3.490 17.199 ( -0.721 -1.548 -2.523) 3.046 17.291 ( -0.214 1.175 -2.642) 2.900 20.683 ( -0.202 -1.013 0.814) 1.315 20.731 ( -0.611 -0.592 -0.394) 0.937 21.015 ( -0.056 -1.251 0.963) 1.580 21.034 ( -0.598 -1.486 0.487) 1.674 21.057 ( 0.322 1.108 1.737) 2.085 21.123 ( -0.768 0.992 -0.026) 1.255 23.298 ( -0.539 -0.552 -0.387) 0.863 23.320 ( 0.247 -0.676 -0.368) 0.808 23.352 ( 0.420 1.324 0.067) 1.390 23.397 ( 0.089 1.498 -0.838) 1.719 23.505 ( 0.048 -0.507 1.645) 1.722 23.512 ( 0.361 -0.408 2.512) 2.570 23.640 ( -0.727 -1.299 -0.674) 1.634 23.657 ( -0.655 -0.700 -0.669) 1.169 23.876 ( 0.056 0.424 0.851) 0.952 24.111 ( 0.125 0.797 -2.960) 3.068 24.730 ( -0.298 -0.668 3.230) 3.312 24.892 ( -0.544 -0.657 -0.000) 0.853 42.534 ( -4.308 -11.865 20.851) 24.374 42.694 ( -0.844 -14.293 23.758) 27.739 43.088 ( -6.621 -5.032 10.078) 13.067 43.440 ( -15.690 -15.862 0.783) 22.325 44.018 ( -9.174 1.714 -8.121) 12.371 44.459 ( 1.275 12.013 -3.550) 12.591 50.019 ( 1.881 -7.165 3.149) 8.049 50.387 ( 6.837 2.237 3.486) 7.994 50.578 ( 2.479 1.684 -4.431) 5.350 50.661 ( -0.056 8.775 -4.745) 9.976 51.325 ( 0.836 0.605 1.715) 2.001 51.361 ( -0.054 2.212 0.321) 2.236 ======================= Grid point 162 (54/65) ======================= q-point: (-0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -7.028 -6.460 25.755) 27.467 2.285 ( -11.576 -11.369 4.563) 16.855 2.429 ( 0.506 -8.079 8.957) 12.073 2.564 ( 5.090 0.882 -1.686) 5.434 2.766 ( -4.598 -2.380 -3.839) 6.446 2.856 ( -6.017 2.982 2.043) 7.019 3.168 ( 0.636 -9.765 -0.698) 9.811 3.267 ( -1.167 1.406 -5.430) 5.729 3.427 ( -6.050 2.960 0.560) 6.758 3.560 ( -4.161 -1.412 4.126) 6.027 3.682 ( 0.330 5.393 -0.058) 5.403 3.751 ( 8.715 2.982 -1.072) 9.273 3.967 ( 2.644 3.475 -6.219) 7.599 4.032 ( 7.656 2.843 -8.764) 11.979 4.164 ( -1.886 1.234 -1.770) 2.866 4.351 ( 5.395 3.833 -0.901) 6.679 5.011 ( -0.570 -7.315 8.556) 11.271 5.206 ( -5.066 5.578 6.938) 10.242 5.476 ( -4.224 -5.610 -9.399) 11.733 5.611 ( 10.234 -3.642 -1.325) 10.944 5.758 ( -5.494 2.647 -1.627) 6.311 5.851 ( -1.909 5.302 -3.950) 6.882 6.239 ( -0.369 -1.355 1.279) 1.900 6.427 ( -1.767 -5.066 -5.660) 7.798 6.748 ( -3.402 -0.462 5.536) 6.514 6.891 ( 4.425 5.372 3.657) 7.862 6.967 ( 0.604 2.699 -1.347) 3.076 7.237 ( 7.274 0.274 -9.552) 12.009 8.539 ( 1.098 1.687 8.635) 8.866 8.929 ( 1.325 0.780 -3.920) 4.211 14.498 ( 4.131 1.914 1.580) 4.819 14.583 ( -0.442 0.747 -3.017) 3.139 16.954 ( 0.878 0.001 3.527) 3.635 17.013 ( 1.150 0.649 4.824) 5.002 17.142 ( -0.923 -0.806 -3.693) 3.891 17.251 ( -0.864 0.520 -4.214) 4.333 20.683 ( -0.026 -0.841 0.764) 1.137 20.706 ( -1.230 -0.651 -0.678) 1.549 21.000 ( -1.062 -1.941 0.732) 2.330 21.022 ( -0.522 -0.646 -0.211) 0.856 21.089 ( 0.660 0.451 1.450) 1.656 21.109 ( -1.674 0.338 -0.119) 1.712 23.284 ( -0.704 -0.112 0.046) 0.714 23.319 ( 0.850 -0.313 -0.613) 1.093 23.375 ( 0.733 1.191 0.619) 1.529 23.397 ( -0.473 0.750 -0.392) 0.970 23.515 ( -0.400 -0.697 1.455) 1.663 23.544 ( 0.888 -0.484 2.077) 2.310 23.605 ( -1.033 -1.237 -1.218) 2.020 23.627 ( -1.155 -0.559 -1.429) 1.920 23.901 ( 0.164 0.449 2.622) 2.666 24.078 ( 0.017 0.619 -3.995) 4.043 24.755 ( -0.600 -0.901 3.407) 3.575 24.868 ( -1.074 -0.876 -1.101) 1.770 42.579 ( -4.956 -12.387 15.953) 20.797 42.722 ( -13.099 -16.539 16.711) 26.914 42.975 ( -11.393 -16.276 2.822) 20.067 43.089 ( -14.202 -14.826 4.197) 20.955 43.736 ( -21.986 6.569 -3.188) 23.167 44.453 ( 1.981 5.303 -12.520) 13.741 50.105 ( 5.917 -2.825 8.946) 11.091 50.544 ( 6.974 0.200 -4.624) 8.370 50.590 ( 5.276 3.345 0.844) 6.304 50.664 ( -1.090 7.964 -4.937) 9.433 51.363 ( 1.429 0.392 1.426) 2.057 51.372 ( -0.794 1.578 -0.028) 1.767 ======================= Grid point 163 (55/65) ======================= q-point: (-0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -17.814 -7.966 3.145) 19.766 2.174 ( -13.381 -7.117 19.245) 24.496 2.424 ( -3.284 -5.930 6.440) 9.350 2.509 ( -1.888 -3.563 -3.700) 5.473 2.798 ( 8.332 1.314 -0.959) 8.489 2.827 ( 3.995 2.013 -3.693) 5.801 3.114 ( -10.507 -1.805 -3.107) 11.104 3.196 ( 5.205 -2.130 4.793) 7.389 3.368 ( -5.939 4.440 4.522) 8.685 3.582 ( -0.794 0.027 5.107) 5.169 3.695 ( 0.050 -2.000 -1.484) 2.491 3.874 ( -0.348 1.450 -4.384) 4.630 3.949 ( 7.967 5.097 -12.037) 15.308 4.063 ( 0.722 5.909 3.227) 6.772 4.216 ( 9.103 3.418 -2.194) 9.968 4.422 ( 4.644 -2.354 -0.832) 5.273 5.027 ( -1.120 -7.172 6.492) 9.739 5.163 ( -5.107 -6.645 -7.122) 10.998 5.335 ( -6.079 6.276 0.756) 8.770 5.624 ( -10.554 -0.557 3.690) 11.194 5.712 ( 10.855 -1.047 -3.212) 11.369 5.894 ( 3.826 2.409 -0.899) 4.610 6.230 ( -1.704 0.205 -0.437) 1.771 6.344 ( 1.787 -2.387 -3.278) 4.431 6.764 ( -4.859 0.728 7.088) 8.625 6.974 ( -1.005 1.889 0.453) 2.188 7.008 ( 2.746 1.685 2.488) 4.071 7.202 ( 6.164 0.658 -14.602) 15.863 8.678 ( 0.832 2.163 10.039) 10.303 8.924 ( 3.994 1.886 -5.402) 6.978 14.552 ( -0.848 1.228 -2.532) 2.939 14.594 ( 5.165 1.881 0.916) 5.572 17.009 ( 1.032 0.146 3.649) 3.795 17.076 ( -0.227 -0.535 -2.422) 2.491 17.099 ( 0.788 0.477 3.952) 4.058 17.184 ( -1.510 -0.019 -5.102) 5.321 20.674 ( -1.530 -0.498 -0.713) 1.760 20.687 ( 0.264 -0.608 0.758) 1.007 20.978 ( -1.351 -1.459 0.971) 2.213 21.002 ( -0.571 -0.691 -0.870) 1.249 21.079 ( -2.400 -0.291 0.324) 2.439 21.115 ( 0.710 -0.205 0.924) 1.183 23.279 ( -0.509 0.314 0.490) 0.773 23.323 ( 0.984 -0.022 -0.876) 1.318 23.389 ( -0.900 0.061 0.260) 0.938 23.404 ( 0.987 0.517 0.963) 1.472 23.515 ( -0.812 -0.402 0.950) 1.313 23.564 ( 0.067 -1.265 -1.291) 1.808 23.574 ( -0.355 -0.635 1.233) 1.432 23.591 ( -0.815 0.222 -1.509) 1.729 23.943 ( 0.150 0.193 4.077) 4.084 24.035 ( -0.133 0.293 -4.185) 4.198 24.775 ( -0.660 -0.897 3.205) 3.393 24.826 ( -1.367 -0.910 -2.047) 2.624 42.408 ( -24.795 -12.778 3.607) 28.126 42.425 ( -25.099 -11.354 -0.097) 27.548 42.718 ( -1.072 -14.583 7.599) 16.479 42.916 ( -0.167 -26.345 4.724) 26.766 43.569 ( -22.324 9.959 18.272) 30.519 44.376 ( 4.339 1.148 -11.716) 12.547 50.295 ( 6.623 -0.666 8.793) 11.028 50.513 ( 4.643 1.674 -11.169) 12.211 50.599 ( -5.411 7.381 -4.895) 10.378 50.789 ( 8.702 2.229 3.072) 9.494 51.361 ( -1.627 0.805 -0.448) 1.870 51.402 ( 1.583 -0.034 1.243) 2.013 ======================= Grid point 169 (56/65) ======================= q-point: ( 0.50 0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 0.000 -11.036 23.161) 25.656 2.365 ( 0.000 -10.150 12.162) 15.841 2.433 ( 0.000 -7.842 6.732) 10.335 2.620 ( 0.000 -4.505 0.963) 4.607 2.755 ( 0.000 -3.633 -2.936) 4.671 3.108 ( -0.000 5.927 5.818) 8.306 3.156 ( 0.000 -13.409 -2.578) 13.655 3.264 ( 0.000 -1.251 -6.795) 6.910 3.446 ( -0.000 11.466 8.026) 13.996 3.512 ( -0.000 7.147 -5.935) 9.290 3.629 ( 0.000 1.160 -6.106) 6.216 3.849 ( -0.000 1.714 1.764) 2.459 3.880 ( 0.000 -4.848 -5.569) 7.383 3.898 ( -0.000 3.720 -3.535) 5.131 4.116 ( -0.000 2.879 -6.379) 6.999 4.333 ( -0.000 8.236 -3.248) 8.854 5.040 ( -0.000 -2.834 9.458) 9.874 5.356 ( -0.000 3.943 4.484) 5.971 5.372 ( 0.000 -6.493 1.693) 6.710 5.537 ( 0.000 -7.058 -8.387) 10.962 5.774 ( -0.000 9.748 -3.601) 10.392 5.928 ( -0.000 4.949 -7.504) 8.989 6.274 ( 0.000 -5.245 3.836) 6.498 6.470 ( 0.000 -8.067 -6.120) 10.126 6.796 ( -0.000 7.633 2.885) 8.160 6.808 ( -0.000 -0.966 6.540) 6.611 6.927 ( -0.000 3.861 -3.135) 4.974 7.136 ( 0.000 -0.406 -6.052) 6.066 8.523 ( -0.000 1.822 9.022) 9.204 8.912 ( 0.000 0.513 -4.917) 4.944 14.437 ( -0.000 1.270 2.190) 2.531 14.590 ( 0.000 1.164 -3.235) 3.438 16.941 ( -0.000 -0.500 3.981) 4.012 16.996 ( -0.000 0.818 4.790) 4.859 17.157 ( 0.000 -1.210 -3.671) 3.865 17.263 ( 0.000 1.419 -4.558) 4.774 20.683 ( 0.000 -1.377 0.752) 1.569 20.725 ( 0.000 -0.582 -0.581) 0.823 21.013 ( 0.000 -1.996 0.790) 2.147 21.032 ( 0.000 -1.064 0.383) 1.131 21.078 ( -0.000 0.648 1.151) 1.321 21.134 ( -0.000 1.045 -0.559) 1.185 23.297 ( 0.000 -0.296 0.075) 0.306 23.308 ( 0.000 -0.641 -0.572) 0.859 23.361 ( -0.000 1.453 0.186) 1.465 23.402 ( -0.000 2.022 -1.028) 2.268 23.521 ( 0.000 -1.113 2.276) 2.533 23.531 ( 0.000 -1.155 2.512) 2.765 23.622 ( 0.000 -1.330 -1.441) 1.961 23.645 ( 0.000 -0.824 -1.267) 1.511 23.897 ( -0.000 0.735 2.283) 2.398 24.077 ( 0.000 1.119 -4.283) 4.426 24.764 ( -0.000 -1.142 3.609) 3.786 24.884 ( 0.000 -0.913 -1.021) 1.369 42.669 ( 0.000 -18.816 19.332) 26.978 42.786 ( 0.000 -21.959 19.502) 29.369 43.180 ( 0.000 -8.344 4.909) 9.681 43.395 ( 0.000 -14.977 -2.233) 15.143 44.073 ( -0.000 8.228 -3.938) 9.122 44.418 ( -0.000 8.431 -18.521) 20.350 50.023 ( 0.000 -5.635 10.508) 11.924 50.384 ( -0.000 0.694 3.450) 3.519 50.521 ( 0.000 1.775 -5.678) 5.949 50.697 ( -0.000 10.265 -3.845) 10.961 51.340 ( -0.000 0.229 1.321) 1.341 51.385 ( -0.000 2.578 0.113) 2.581 ======================= Grid point 170 (57/65) ======================= q-point: (-0.38 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( 2.238 -15.158 11.532) 19.177 2.416 ( 0.539 -8.675 9.242) 12.687 2.442 ( -7.129 -2.707 8.983) 11.783 2.577 ( -2.906 -5.272 7.654) 9.737 2.682 ( 0.591 -1.979 -7.064) 7.360 2.968 ( -4.077 -8.658 -9.836) 13.723 3.116 ( -4.191 -2.986 4.506) 6.840 3.262 ( -2.617 5.496 2.124) 6.447 3.510 ( -1.637 2.639 -3.538) 4.708 3.552 ( 8.893 2.931 -7.638) 12.084 3.646 ( 0.240 1.351 3.555) 3.811 3.801 ( 1.473 -2.618 -7.043) 7.657 3.834 ( -1.451 7.347 4.525) 8.750 3.948 ( 1.661 9.007 -5.577) 10.724 4.150 ( 7.476 -0.964 1.155) 7.626 4.337 ( -3.771 6.955 -2.898) 8.425 5.085 ( -3.004 -6.791 9.381) 11.964 5.301 ( -3.207 -5.044 -5.359) 8.027 5.419 ( 5.206 -3.475 -1.466) 6.428 5.470 ( -0.018 4.725 2.369) 5.285 5.796 ( 2.015 3.963 -4.892) 6.611 5.870 ( -4.301 3.959 -4.191) 7.193 6.262 ( -1.402 -3.769 3.409) 5.272 6.344 ( -1.125 -4.824 -4.397) 6.624 6.867 ( -2.133 2.378 7.083) 7.770 6.914 ( 3.873 4.468 2.829) 6.555 6.938 ( 2.891 1.403 -2.800) 4.262 7.073 ( 1.077 -0.173 -6.949) 7.034 8.662 ( 0.293 2.984 10.968) 11.371 8.856 ( 1.086 0.967 -7.106) 7.253 14.488 ( 2.087 0.993 2.443) 3.363 14.570 ( -0.352 2.363 -2.509) 3.464 16.988 ( 0.419 -0.664 4.550) 4.617 17.063 ( 0.522 0.126 5.449) 5.476 17.103 ( -0.381 -0.304 -4.055) 4.084 17.212 ( -0.490 1.112 -5.723) 5.850 20.681 ( 0.135 -1.372 0.742) 1.565 20.708 ( -0.733 -0.468 -0.713) 1.125 21.003 ( -0.369 -1.837 0.803) 2.038 21.021 ( -0.593 -1.139 -0.303) 1.319 21.094 ( 0.537 -0.203 0.755) 0.948 21.127 ( -0.863 0.661 -0.777) 1.336 23.296 ( -0.312 0.134 0.378) 0.509 23.299 ( 0.319 -0.361 -0.534) 0.719 23.380 ( 0.623 1.054 0.413) 1.292 23.404 ( -0.240 1.631 -0.910) 1.883 23.533 ( -0.307 -1.368 2.010) 2.450 23.549 ( 0.269 -1.492 1.866) 2.404 23.591 ( -0.410 -0.907 -1.312) 1.647 23.618 ( -0.622 -0.607 -1.659) 1.873 23.937 ( 0.181 0.644 3.531) 3.594 24.035 ( 0.058 0.929 -4.701) 4.792 24.790 ( -0.320 -1.399 3.312) 3.609 24.855 ( -0.586 -1.084 -2.042) 2.385 42.669 ( -2.101 -21.387 14.297) 25.811 42.788 ( 1.998 -27.832 13.584) 31.035 43.012 ( -11.321 -11.171 -5.112) 16.706 43.178 ( -15.645 -12.529 -1.351) 20.089 44.057 ( -10.048 9.341 3.935) 14.273 44.226 ( 5.373 0.398 -24.674) 25.255 50.158 ( 2.245 -0.862 14.310) 14.511 50.428 ( 1.126 0.792 -5.064) 5.248 50.525 ( 7.519 1.755 0.626) 7.747 50.720 ( -2.309 9.590 -3.917) 10.613 51.359 ( 1.065 -0.245 0.880) 1.403 51.397 ( -0.769 2.030 -0.482) 2.223 ======================= Grid point 171 (58/65) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 134 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -6.178 -9.664 -7.166) 13.525 2.251 ( -5.281 -10.182 7.166) 13.525 2.482 ( -7.832 -1.853 -5.745) 9.889 2.482 ( 2.311 -7.710 5.745) 9.889 2.760 ( -2.026 2.997 -10.330) 10.945 2.760 ( 3.609 -0.256 10.330) 10.945 3.155 ( -7.960 1.781 -7.152) 10.848 3.155 ( 5.523 -6.003 7.152) 10.848 3.576 ( 6.536 -0.701 -8.077) 10.414 3.576 ( -3.875 5.309 8.077) 10.414 3.698 ( 1.302 -0.699 -11.763) 11.856 3.698 ( -1.256 0.779 11.763) 11.856 3.999 ( 7.211 5.744 -6.430) 11.240 3.999 ( 1.369 9.117 6.430) 11.240 4.271 ( 1.253 0.253 -7.331) 7.442 4.271 ( -0.408 1.212 7.331) 7.442 5.084 ( -6.325 -7.050 -9.538) 13.442 5.084 ( -2.943 -9.002 9.538) 13.442 5.514 ( 8.877 -0.071 -3.999) 9.736 5.514 ( -4.500 7.652 3.999) 9.736 5.800 ( 5.354 -4.155 -3.197) 7.494 5.800 ( -6.275 2.560 3.197) 7.494 6.269 ( -0.268 -0.965 -2.850) 3.020 6.269 ( -0.702 -0.714 2.850) 3.020 6.940 ( 4.653 -2.359 -7.787) 9.373 6.940 ( -4.369 2.850 7.787) 9.373 7.021 ( 1.818 2.726 -2.463) 4.099 7.021 ( 1.451 2.938 2.463) 4.099 8.805 ( 3.043 1.687 -9.038) 9.685 8.805 ( -0.060 3.479 9.038) 9.685 14.559 ( -1.114 3.308 -1.869) 3.960 14.559 ( 3.422 0.689 1.869) 3.960 17.041 ( -0.832 0.343 -4.277) 4.371 17.041 ( 0.713 -0.549 4.277) 4.371 17.143 ( -1.014 0.737 -5.757) 5.892 17.143 ( 1.146 -0.510 5.757) 5.892 20.683 ( -1.256 -0.213 -0.717) 1.462 20.683 ( 0.443 -1.195 0.717) 1.462 20.993 ( -0.773 -1.220 -1.002) 1.758 20.993 ( -0.670 -1.279 1.002) 1.758 21.106 ( -1.256 0.119 -0.545) 1.374 21.106 ( 0.731 -1.028 0.545) 1.374 23.299 ( 0.925 -0.213 -0.753) 1.212 23.299 ( -0.647 0.695 0.753) 1.212 23.401 ( -0.392 0.699 -0.536) 0.965 23.401 ( 0.802 0.010 0.536) 0.965 23.538 ( -0.227 -0.985 -1.579) 1.875 23.538 ( -0.740 -0.689 1.579) 1.875 23.585 ( -0.760 -0.276 -1.483) 1.690 23.585 ( 0.141 -0.797 1.483) 1.690 23.990 ( 0.037 0.432 -4.424) 4.446 23.990 ( 0.356 0.249 4.424) 4.446 24.807 ( -0.977 -1.026 -2.787) 3.126 24.807 ( -0.400 -1.359 2.787) 3.126 42.621 ( -16.432 -10.595 -10.020) 21.970 42.621 ( -0.960 -19.528 10.020) 21.970 42.703 ( -18.532 -16.950 -10.808) 27.342 42.703 ( -5.413 -24.525 10.808) 27.342 44.088 ( 11.952 -6.522 -16.997) 21.778 44.088 ( -11.624 7.090 16.997) 21.778 50.353 ( 0.712 3.274 -11.720) 12.189 50.353 ( 2.480 2.253 11.720) 12.189 50.701 ( -3.916 8.479 -3.805) 10.085 50.701 ( 9.301 0.848 3.805) 10.085 51.386 ( -1.553 1.333 -0.861) 2.221 51.386 ( 1.931 -0.678 0.861) 2.221 ======================= Grid point 179 (59/65) ======================= q-point: (-0.38 -0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( 0.000 -18.421 3.071) 18.675 2.409 ( 0.000 -16.390 2.178) 16.534 2.518 ( 0.000 -2.834 1.959) 3.445 2.568 ( 0.000 -1.183 -8.756) 8.836 2.715 ( -0.000 2.585 11.177) 11.472 2.814 ( 0.000 -5.080 -6.182) 8.001 3.159 ( -0.000 3.011 -1.011) 3.176 3.299 ( 0.000 -7.312 -11.756) 13.845 3.425 ( 0.000 -1.418 -7.496) 7.629 3.535 ( -0.000 6.656 13.473) 15.027 3.701 ( -0.000 0.557 1.680) 1.770 3.718 ( -0.000 -0.207 2.003) 2.013 3.903 ( -0.000 2.686 -1.718) 3.188 4.010 ( -0.000 11.166 -4.988) 12.229 4.103 ( -0.000 5.769 4.867) 7.547 4.421 ( -0.000 5.932 0.338) 5.942 5.142 ( 0.000 -8.761 4.617) 9.903 5.252 ( 0.000 -5.196 -2.095) 5.602 5.264 ( 0.000 -3.780 -2.906) 4.768 5.611 ( -0.000 9.222 6.495) 11.280 5.705 ( 0.000 -3.508 -6.568) 7.446 5.896 ( -0.000 4.592 -3.958) 6.062 6.245 ( 0.000 -4.700 -0.127) 4.702 6.331 ( -0.000 -0.228 2.417) 2.428 6.835 ( 0.000 -1.976 -6.077) 6.390 6.937 ( -0.000 2.884 0.928) 3.029 7.027 ( -0.000 3.139 -4.488) 5.477 7.032 ( -0.000 2.655 12.755) 13.028 8.764 ( 0.000 1.325 -9.275) 9.369 8.807 ( -0.000 4.098 9.421) 10.273 14.509 ( -0.000 0.350 2.865) 2.886 14.576 ( -0.000 4.087 -1.679) 4.418 17.028 ( -0.000 -1.063 3.679) 3.829 17.059 ( 0.000 0.464 -3.213) 3.246 17.123 ( -0.000 -0.494 5.462) 5.485 17.158 ( 0.000 1.237 -5.952) 6.079 20.676 ( 0.000 -1.588 0.759) 1.760 20.702 ( 0.000 -0.290 -0.755) 0.809 21.000 ( 0.000 -1.583 0.622) 1.700 21.010 ( 0.000 -1.465 -0.389) 1.516 21.088 ( 0.000 -1.194 0.064) 1.196 21.127 ( -0.000 0.621 -1.153) 1.310 23.284 ( 0.000 -0.400 -0.592) 0.714 23.311 ( -0.000 0.512 0.860) 1.001 23.385 ( -0.000 0.596 0.110) 0.606 23.407 ( -0.000 1.516 -1.209) 1.939 23.532 ( 0.000 -1.866 0.122) 1.870 23.563 ( 0.000 -1.430 2.451) 2.838 23.579 ( 0.000 -0.497 -0.091) 0.505 23.599 ( 0.000 -0.443 -1.706) 1.763 23.983 ( -0.000 0.475 4.095) 4.123 23.988 ( 0.000 0.736 -4.696) 4.753 24.814 ( 0.000 -1.666 2.737) 3.204 24.822 ( 0.000 -1.178 -2.851) 3.085 42.594 ( 0.000 -28.130 6.669) 28.910 42.629 ( 0.000 -28.978 4.056) 29.260 42.955 ( 0.000 -7.628 -6.665) 10.130 43.237 ( 0.000 -14.801 4.894) 15.589 43.793 ( 0.000 -6.742 -34.043) 34.704 44.242 ( -0.000 7.245 6.506) 9.738 50.331 ( -0.000 2.362 16.178) 16.349 50.398 ( -0.000 4.323 -8.867) 9.864 50.466 ( -0.000 -0.788 4.254) 4.326 50.773 ( -0.000 9.236 -3.618) 9.919 51.353 ( 0.000 -0.722 0.376) 0.814 51.410 ( -0.000 1.718 -1.080) 2.029 ======================= Grid point 226 (60/65) ======================= q-point: ( 0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( -0.000 0.000 8.663) 8.663 2.377 ( -0.000 0.000 18.078) 18.078 2.377 ( -0.000 0.000 18.078) 18.078 2.901 ( 0.000 0.000 5.335) 5.335 2.901 ( -0.000 -0.000 5.335) 5.335 2.948 ( 0.000 -0.000 -3.547) 3.547 2.948 ( 0.000 -0.000 -3.547) 3.547 3.304 ( -0.000 0.000 5.476) 5.476 3.417 ( 0.000 -0.000 -4.634) 4.634 3.417 ( 0.000 -0.000 -4.634) 4.634 3.817 ( 0.000 0.000 -2.251) 2.251 3.817 ( -0.000 -0.000 -2.251) 2.251 3.949 ( -0.000 0.000 1.603) 1.603 4.010 ( 0.000 -0.000 -10.731) 10.731 4.010 ( 0.000 -0.000 -10.731) 10.731 4.206 ( 0.000 -0.000 -3.559) 3.559 5.005 ( -0.000 0.000 6.875) 6.875 5.332 ( -0.000 0.000 5.582) 5.582 5.332 ( -0.000 0.000 5.582) 5.582 5.660 ( 0.000 -0.000 -5.439) 5.439 5.833 ( 0.000 0.000 -7.515) 7.515 5.833 ( 0.000 -0.000 -7.515) 7.515 6.470 ( 0.000 0.000 4.349) 4.349 6.470 ( -0.000 -0.000 4.349) 4.349 6.774 ( -0.000 0.000 5.891) 5.891 6.785 ( 0.000 -0.000 -4.493) 4.493 6.785 ( 0.000 0.000 -4.493) 4.493 7.185 ( 0.000 -0.000 -3.852) 3.852 8.443 ( -0.000 0.000 0.688) 0.688 8.947 ( 0.000 -0.000 -2.766) 2.766 14.384 ( -0.000 0.000 1.617) 1.617 14.624 ( 0.000 -0.000 -4.532) 4.532 16.918 ( -0.000 0.000 3.209) 3.209 16.918 ( -0.000 0.000 3.209) 3.209 17.251 ( 0.000 -0.000 -2.761) 2.761 17.251 ( 0.000 0.000 -2.761) 2.761 20.701 ( -0.000 0.000 0.788) 0.788 20.743 ( 0.000 -0.000 -0.329) 0.329 21.031 ( -0.000 0.000 1.832) 1.832 21.031 ( -0.000 0.000 1.832) 1.832 21.090 ( 0.000 -0.000 0.146) 0.146 21.090 ( -0.000 -0.000 0.146) 0.146 23.320 ( 0.000 0.000 -0.246) 0.246 23.320 ( -0.000 -0.000 -0.246) 0.246 23.351 ( 0.000 -0.000 -0.718) 0.718 23.351 ( -0.000 -0.000 -0.718) 0.718 23.514 ( -0.000 0.000 2.549) 2.549 23.514 ( -0.000 0.000 2.549) 2.549 23.668 ( 0.000 0.000 -0.651) 0.651 23.668 ( 0.000 -0.000 -0.651) 0.651 23.869 ( -0.000 0.000 0.420) 0.420 24.097 ( 0.000 -0.000 -3.147) 3.147 24.741 ( -0.000 0.000 3.597) 3.597 24.905 ( -0.000 0.000 0.198) 0.198 42.812 ( -0.000 0.000 26.064) 26.064 42.812 ( -0.000 0.000 26.064) 26.064 43.188 ( -0.000 0.000 12.586) 12.586 44.032 ( 0.000 0.000 -0.258) 0.258 44.032 ( -0.000 -0.000 -0.258) 0.258 44.056 ( 0.000 -0.000 -9.881) 9.881 50.218 ( 0.000 0.000 2.270) 2.270 50.218 ( -0.000 0.000 2.270) 2.270 50.525 ( 0.000 -0.000 -4.129) 4.129 50.525 ( 0.000 -0.000 -4.129) 4.129 51.310 ( -0.000 0.000 1.911) 1.911 51.330 ( -0.000 0.000 0.855) 0.855 ======================= Grid point 227 (61/65) ======================= q-point: ( 0.50 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -6.136 -3.543 22.952) 24.021 2.496 ( -2.960 -1.709 12.493) 12.952 2.604 ( 0.772 0.446 14.159) 14.187 2.720 ( -13.161 -7.599 2.034) 15.333 2.824 ( -4.003 -2.311 -3.136) 5.585 2.959 ( -1.635 -0.944 1.213) 2.244 3.174 ( 10.468 6.043 6.565) 13.755 3.251 ( -3.335 -1.925 -8.602) 9.425 3.425 ( 2.399 1.385 -4.331) 5.141 3.453 ( 10.285 5.938 -5.123) 12.934 3.646 ( -6.008 -3.469 -0.789) 6.982 3.721 ( -8.591 -4.960 0.516) 9.933 3.913 ( 0.286 0.165 -11.757) 11.761 3.955 ( 4.153 2.398 -6.282) 7.903 4.098 ( 10.196 5.887 0.338) 11.778 4.157 ( -0.613 -0.354 -4.059) 4.120 5.090 ( 0.220 0.127 8.797) 8.801 5.278 ( -6.903 -3.986 6.489) 10.279 5.527 ( 7.342 4.239 5.859) 10.305 5.591 ( 2.076 1.199 -8.915) 9.232 5.655 ( -4.786 -2.763 -9.698) 11.162 5.825 ( 2.956 1.707 -6.599) 7.429 6.373 ( -7.417 -4.282 4.320) 9.592 6.609 ( -6.686 -3.860 -5.465) 9.458 6.670 ( 7.839 4.526 4.162) 9.962 6.803 ( -0.689 -0.398 2.516) 2.639 6.860 ( 4.483 2.588 -0.836) 5.243 7.145 ( 2.108 1.217 -6.749) 7.175 8.502 ( 0.648 0.374 8.181) 8.215 8.905 ( 0.394 0.228 -5.135) 5.155 14.421 ( 1.502 0.867 2.443) 2.996 14.576 ( 0.135 0.078 -4.140) 4.143 16.952 ( -0.313 -0.181 4.398) 4.413 16.980 ( 1.042 0.602 4.999) 5.141 17.182 ( -1.465 -0.846 -4.187) 4.516 17.235 ( 1.017 0.587 -4.439) 4.592 20.703 ( -0.518 -0.299 0.730) 0.943 20.733 ( -0.562 -0.325 -0.581) 0.871 21.038 ( -0.578 -0.334 1.059) 1.252 21.061 ( -1.615 -0.932 0.050) 1.865 21.064 ( 0.797 0.460 1.756) 1.983 21.108 ( 0.537 0.310 -0.310) 0.693 23.304 ( -0.804 -0.464 -0.127) 0.937 23.324 ( -0.561 -0.324 -0.658) 0.923 23.337 ( 1.052 0.607 0.267) 1.244 23.367 ( 1.298 0.749 -0.916) 1.756 23.536 ( -0.608 -0.351 2.534) 2.629 23.547 ( -0.000 -0.000 2.910) 2.910 23.644 ( -0.937 -0.541 -1.453) 1.812 23.653 ( -0.556 -0.321 -1.470) 1.604 23.886 ( 0.378 0.218 2.090) 2.135 24.060 ( 0.510 0.294 -4.279) 4.320 24.779 ( -0.513 -0.296 3.835) 3.881 24.896 ( -0.575 -0.332 -0.837) 1.068 42.930 ( -11.005 -6.353 21.819) 25.249 43.126 ( -4.133 -2.386 26.007) 26.441 43.295 ( -3.327 -1.921 13.943) 14.463 43.653 ( -19.150 -11.056 -5.272) 22.733 43.907 ( -5.212 -3.009 -12.908) 14.242 44.219 ( 10.520 6.074 -10.661) 16.163 50.156 ( -3.651 -2.108 6.171) 7.474 50.374 ( 6.805 3.929 3.749) 8.706 50.499 ( 2.317 1.337 -6.021) 6.588 50.510 ( 2.504 1.446 -3.778) 4.758 51.336 ( 0.647 0.373 1.587) 1.754 51.347 ( 0.576 0.332 0.738) 0.994 ======================= Grid point 228 (62/65) ======================= q-point: (-0.38 0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -7.091 -4.094 21.721) 23.213 2.473 ( -13.162 -7.599 0.030) 15.198 2.557 ( -1.318 -0.761 2.317) 2.772 2.662 ( -9.173 -5.296 5.153) 11.779 2.767 ( 0.534 0.308 3.450) 3.504 2.856 ( -8.835 -5.101 -1.650) 10.334 3.136 ( 2.072 1.196 -6.262) 6.704 3.324 ( -2.348 -1.355 3.257) 4.237 3.416 ( -0.781 -0.451 0.104) 0.908 3.544 ( 8.328 4.808 -11.702) 15.146 3.637 ( 3.505 2.024 3.752) 5.519 3.679 ( 0.445 0.257 5.065) 5.091 3.843 ( 6.092 3.517 -6.794) 9.780 3.922 ( -0.070 -0.040 -5.650) 5.651 4.106 ( -0.029 -0.017 -3.194) 3.194 4.287 ( 8.998 5.195 0.288) 10.393 5.205 ( 0.536 0.309 9.333) 9.354 5.231 ( -6.245 -3.605 6.853) 9.948 5.433 ( -5.761 -3.326 -11.675) 13.437 5.564 ( 4.949 2.858 -7.273) 9.250 5.698 ( 3.388 1.956 3.113) 5.000 5.799 ( 1.466 0.847 -1.849) 2.507 6.300 ( -4.958 -2.862 3.555) 6.739 6.433 ( -5.072 -2.928 -5.434) 7.990 6.800 ( 0.223 0.129 3.139) 3.149 6.862 ( 4.953 2.860 2.713) 6.330 6.931 ( 2.739 1.582 2.043) 3.765 7.105 ( 3.290 1.900 -9.963) 10.663 8.629 ( 1.160 0.670 10.548) 10.633 8.852 ( 1.547 0.893 -7.267) 7.483 14.491 ( 2.844 1.642 2.510) 4.133 14.538 ( 0.369 0.213 -3.504) 3.530 17.001 ( -0.045 -0.026 4.727) 4.727 17.064 ( 1.215 0.702 6.092) 6.252 17.106 ( -1.160 -0.670 -4.879) 5.059 17.190 ( 0.283 0.164 -5.568) 5.578 20.701 ( -0.528 -0.305 0.758) 0.973 20.709 ( -1.146 -0.662 -0.773) 1.532 21.030 ( -1.048 -0.605 0.260) 1.238 21.031 ( -1.582 -0.913 -0.042) 1.827 21.098 ( 0.834 0.482 1.466) 1.754 21.105 ( -0.371 -0.214 -0.371) 0.567 23.289 ( -0.706 -0.407 0.218) 0.843 23.314 ( 0.160 0.092 -0.722) 0.745 23.365 ( 1.276 0.737 0.702) 1.632 23.380 ( 1.016 0.586 -0.510) 1.279 23.546 ( -1.150 -0.664 2.097) 2.482 23.575 ( -0.183 -0.106 2.364) 2.373 23.605 ( -1.090 -0.629 -1.790) 2.188 23.617 ( -1.143 -0.660 -1.994) 2.392 23.929 ( 0.667 0.385 3.631) 3.712 24.022 ( 0.636 0.367 -4.492) 4.551 24.806 ( -0.940 -0.543 3.427) 3.595 24.865 ( -1.144 -0.660 -1.913) 2.324 42.915 ( -12.914 -7.456 14.890) 21.074 43.064 ( -20.270 -11.703 6.980) 24.424 43.208 ( -20.057 -11.580 -7.613) 24.378 43.508 ( -1.934 -1.116 28.616) 28.703 43.584 ( -12.896 -7.446 -11.867) 19.041 44.231 ( 7.296 4.212 -13.425) 15.850 50.231 ( 1.534 0.886 9.775) 9.935 50.449 ( 2.089 1.206 -10.862) 11.126 50.505 ( 1.801 1.040 -3.949) 4.463 50.568 ( 8.344 4.817 4.091) 10.467 51.360 ( 0.129 0.075 0.139) 0.204 51.370 ( 1.303 0.752 1.196) 1.922 ======================= Grid point 235 (63/65) ======================= q-point: ( 0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 0.000 -9.108 21.246) 23.116 2.643 ( 0.000 -8.089 9.172) 12.229 2.653 ( 0.000 -7.941 8.746) 11.814 2.757 ( 0.000 -9.378 3.467) 9.998 2.794 ( 0.000 -5.383 -2.942) 6.134 3.059 ( -0.000 8.158 7.921) 11.371 3.201 ( 0.000 -2.338 -9.286) 9.576 3.235 ( 0.000 2.149 -9.740) 9.975 3.278 ( -0.000 12.384 -1.822) 12.517 3.351 ( -0.000 3.391 -3.108) 4.600 3.642 ( 0.000 -5.444 2.553) 6.012 3.781 ( 0.000 -0.243 -8.467) 8.470 3.837 ( -0.000 1.322 0.077) 1.324 3.868 ( 0.000 -0.028 -4.802) 4.802 4.036 ( -0.000 3.160 0.776) 3.253 4.157 ( -0.000 7.706 -3.601) 8.505 5.188 ( -0.000 -0.631 10.339) 10.358 5.399 ( 0.000 -2.847 6.309) 6.922 5.418 ( 0.000 -1.996 -7.833) 8.083 5.554 ( 0.000 -6.549 -8.212) 10.503 5.609 ( -0.000 8.363 3.273) 8.981 5.757 ( -0.000 6.042 -7.403) 9.556 6.433 ( 0.000 -8.064 4.874) 9.423 6.542 ( 0.000 -8.849 -5.524) 10.431 6.710 ( -0.000 7.822 3.987) 8.780 6.803 ( -0.000 6.767 -3.843) 7.783 6.890 ( -0.000 -0.091 6.631) 6.631 7.055 ( 0.000 0.504 -7.593) 7.610 8.613 ( -0.000 0.957 10.819) 10.862 8.832 ( 0.000 0.466 -7.875) 7.889 14.449 ( -0.000 0.868 3.190) 3.305 14.532 ( 0.000 0.826 -3.906) 3.992 17.006 ( -0.000 -0.957 5.386) 5.470 17.041 ( -0.000 1.118 5.970) 6.074 17.129 ( 0.000 -1.437 -5.147) 5.344 17.180 ( 0.000 1.557 -5.759) 5.966 20.710 ( 0.000 -0.801 0.709) 1.070 20.727 ( 0.000 -0.492 -0.675) 0.835 21.048 ( 0.000 -1.265 0.858) 1.528 21.058 ( 0.000 -1.739 -0.130) 1.744 21.081 ( -0.000 0.810 1.306) 1.537 21.107 ( -0.000 1.256 -0.794) 1.486 23.306 ( 0.000 -0.708 0.231) 0.745 23.314 ( 0.000 -1.000 -0.598) 1.165 23.342 ( -0.000 1.408 0.453) 1.479 23.359 ( -0.000 1.781 -0.919) 2.004 23.567 ( -0.000 -0.921 2.753) 2.903 23.576 ( -0.000 -0.570 2.827) 2.884 23.622 ( 0.000 -1.153 -2.132) 2.424 23.636 ( 0.000 -0.295 -2.071) 2.092 23.917 ( -0.000 0.632 3.333) 3.393 24.010 ( 0.000 0.748 -4.637) 4.697 24.820 ( -0.000 -0.721 3.515) 3.588 24.882 ( 0.000 -0.650 -1.843) 1.954 43.180 ( 0.000 -15.477 20.910) 26.015 43.328 ( 0.000 -15.290 19.247) 24.581 43.396 ( 0.000 -10.650 5.678) 12.069 43.603 ( 0.000 -13.818 -5.562) 14.896 43.872 ( -0.000 10.236 -5.014) 11.399 44.043 ( -0.000 10.176 -20.822) 23.175 50.222 ( 0.000 -4.959 8.907) 10.195 50.392 ( -0.000 3.333 3.430) 4.783 50.421 ( 0.000 0.799 -7.044) 7.089 50.501 ( -0.000 7.785 -3.498) 8.535 51.348 ( -0.000 0.341 0.944) 1.004 51.357 ( -0.000 1.172 0.343) 1.221 ======================= Grid point 236 (64/65) ======================= q-point: (-0.38 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( -7.841 -8.007 -1.554) 11.314 2.556 ( -3.014 -10.794 1.554) 11.314 2.649 ( -3.922 -6.049 -9.431) 11.871 2.649 ( -3.278 -6.421 9.431) 11.871 2.878 ( -9.634 -2.444 -18.242) 20.774 2.878 ( 2.700 -9.565 18.242) 20.774 3.208 ( 10.123 -2.880 -8.890) 13.777 3.208 ( -7.555 7.327 8.890) 13.777 3.409 ( 5.788 4.300 -2.272) 7.561 3.409 ( 0.830 7.163 2.272) 7.561 3.707 ( 1.032 3.890 -9.163) 10.008 3.707 ( 2.853 2.839 9.163) 10.008 3.809 ( 4.450 -4.059 -5.216) 7.968 3.809 ( -5.741 1.824 5.216) 7.968 4.173 ( 0.892 6.669 -3.031) 7.379 4.173 ( 5.330 4.107 3.031) 7.379 5.288 ( -2.740 -2.777 -9.385) 10.163 5.288 ( -1.035 -3.761 9.385) 10.163 5.432 ( 3.794 -3.065 -4.094) 6.368 5.432 ( -4.551 1.754 4.094) 6.368 5.743 ( 1.964 4.838 -5.120) 7.313 5.743 ( 3.208 4.120 5.120) 7.313 6.389 ( -2.731 -6.994 -5.063) 9.056 6.389 ( -4.692 -5.863 5.063) 9.056 6.834 ( 2.785 5.055 -2.800) 6.415 6.834 ( 2.985 4.939 2.800) 6.415 6.980 ( 0.843 0.663 -8.011) 8.082 6.980 ( 0.153 1.061 8.011) 8.082 8.744 ( 1.049 0.987 -9.909) 10.013 8.744 ( 0.331 1.402 9.909) 10.013 14.503 ( 0.104 1.681 -3.258) 3.668 14.503 ( 1.404 0.930 3.258) 3.668 17.056 ( -0.669 -0.676 -5.227) 5.313 17.056 ( -0.251 -0.917 5.227) 5.313 17.125 ( 0.198 1.128 -6.258) 6.362 17.125 ( 0.877 0.736 6.258) 6.362 20.709 ( -0.747 -0.632 -0.753) 1.234 20.709 ( -0.174 -0.963 0.753) 1.234 21.037 ( -1.003 -1.260 -0.305) 1.639 21.037 ( -0.589 -1.498 0.305) 1.639 21.104 ( -0.183 0.800 -1.029) 1.317 21.104 ( 0.784 0.241 1.029) 1.317 23.301 ( 0.175 -0.660 -0.504) 0.849 23.301 ( -0.660 -0.178 0.504) 0.849 23.368 ( 0.621 1.485 -0.800) 1.797 23.368 ( 0.976 1.280 0.800) 1.797 23.579 ( -0.599 -1.501 -1.879) 2.478 23.579 ( -1.000 -1.269 1.879) 2.478 23.604 ( -0.660 -0.254 -1.891) 2.019 23.604 ( 0.110 -0.698 1.891) 2.019 23.969 ( 0.403 0.796 -4.300) 4.392 23.969 ( 0.488 0.747 4.300) 4.392 24.845 ( -0.637 -0.923 -2.787) 3.004 24.845 ( -0.481 -1.013 2.787) 3.004 43.141 ( -9.564 -16.374 -12.553) 22.741 43.141 ( -9.398 -16.470 12.553) 22.741 43.346 ( -13.254 -14.484 -7.398) 20.980 43.346 ( -5.917 -18.720 7.398) 20.980 43.971 ( 13.204 1.887 -14.894) 19.994 43.971 ( -4.968 12.379 14.894) 19.994 50.315 ( -1.263 0.273 -10.427) 10.507 50.315 ( 0.868 -0.957 10.427) 10.507 50.522 ( -1.586 8.628 -3.481) 9.438 50.522 ( 8.265 2.941 3.481) 9.438 51.366 ( -0.242 1.170 -0.429) 1.270 51.366 ( 1.135 0.375 0.429) 1.270 ======================= Grid point 307 (65/65) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 4.07e-04 4.07e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( 0.000 -0.000 -6.753) 6.753 2.800 ( 0.000 -0.000 -6.753) 6.753 2.800 ( -0.000 0.000 6.753) 6.753 2.800 ( -0.000 0.000 6.753) 6.753 2.976 ( 0.000 -0.000 -25.111) 25.111 2.976 ( -0.000 0.000 25.111) 25.111 3.160 ( 0.000 -0.000 -10.333) 10.333 3.160 ( 0.000 -0.000 -10.333) 10.333 3.160 ( -0.000 0.000 10.333) 10.333 3.160 ( -0.000 0.000 10.333) 10.333 3.783 ( 0.000 -0.000 -1.802) 1.802 3.783 ( 0.000 -0.000 1.802) 1.802 3.783 ( -0.000 0.000 -1.802) 1.802 3.783 ( 0.000 0.000 1.802) 1.802 4.038 ( 0.000 -0.000 -5.244) 5.244 4.038 ( -0.000 0.000 5.244) 5.244 5.305 ( 0.000 -0.000 -11.263) 11.263 5.305 ( -0.000 0.000 11.263) 11.263 5.568 ( 0.000 0.000 -7.960) 7.960 5.568 ( 0.000 0.000 -7.960) 7.960 5.568 ( -0.000 -0.000 7.960) 7.960 5.568 ( -0.000 -0.000 7.960) 7.960 6.627 ( 0.000 -0.000 -4.843) 4.843 6.627 ( 0.000 -0.000 4.843) 4.843 6.627 ( 0.000 0.000 -4.843) 4.843 6.627 ( -0.000 0.000 4.843) 4.843 6.966 ( 0.000 -0.000 -7.222) 7.222 6.966 ( -0.000 0.000 7.222) 7.222 8.725 ( 0.000 -0.000 -10.220) 10.220 8.725 ( -0.000 0.000 10.220) 10.220 14.481 ( 0.000 -0.000 -3.843) 3.843 14.481 ( -0.000 0.000 3.843) 3.843 17.089 ( 0.000 0.000 -6.029) 6.029 17.089 ( 0.000 -0.000 -6.029) 6.029 17.089 ( -0.000 0.000 6.029) 6.029 17.089 ( -0.000 -0.000 6.029) 6.029 20.724 ( 0.000 -0.000 -0.673) 0.673 20.724 ( -0.000 0.000 0.673) 0.673 21.077 ( 0.000 0.000 -0.896) 0.896 21.077 ( 0.000 0.000 0.896) 0.896 21.077 ( 0.000 -0.000 -0.896) 0.896 21.077 ( -0.000 -0.000 0.896) 0.896 23.326 ( 0.000 0.000 -0.575) 0.575 23.326 ( 0.000 0.000 0.575) 0.575 23.326 ( 0.000 -0.000 -0.575) 0.575 23.326 ( -0.000 -0.000 0.575) 0.575 23.608 ( 0.000 -0.000 -2.652) 2.652 23.608 ( 0.000 -0.000 -2.652) 2.652 23.608 ( -0.000 0.000 2.652) 2.652 23.608 ( -0.000 0.000 2.652) 2.652 23.954 ( 0.000 -0.000 -4.217) 4.217 23.954 ( -0.000 0.000 4.217) 4.217 24.862 ( 0.000 -0.000 -2.775) 2.775 24.862 ( -0.000 0.000 2.775) 2.775 43.632 ( 0.000 -0.000 -20.956) 20.956 43.632 ( 0.000 -0.000 -20.956) 20.956 43.632 ( -0.000 0.000 20.956) 20.956 43.632 ( -0.000 0.000 20.956) 20.956 43.640 ( 0.000 -0.000 -13.838) 13.838 43.640 ( -0.000 0.000 13.838) 13.838 50.371 ( 0.000 -0.000 -5.404) 5.404 50.371 ( 0.000 0.000 -5.404) 5.404 50.371 ( -0.000 0.000 5.404) 5.404 50.371 ( -0.000 0.000 5.404) 5.404 51.351 ( 0.000 -0.000 -0.154) 0.154 51.351 ( -0.000 0.000 0.154) 0.154 =================== 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 3/33792 10.0 422.870 422.870 613.013 0.000 -0.000 -0.000 3/33792 20.0 126.533 126.533 151.157 0.000 -0.000 -0.000 3/33792 30.0 54.831 54.831 64.297 0.000 -0.000 -0.000 3/33792 40.0 31.909 31.909 38.291 0.000 -0.000 -0.000 3/33792 50.0 21.675 21.675 26.635 0.000 -0.000 -0.000 3/33792 60.0 16.200 16.200 20.268 0.000 -0.000 -0.000 3/33792 70.0 12.895 12.895 16.351 0.000 -0.000 -0.000 3/33792 80.0 10.716 10.716 13.731 0.000 -0.000 -0.000 3/33792 90.0 9.178 9.178 11.862 0.000 -0.000 -0.000 3/33792 100.0 8.036 8.036 10.461 0.000 -0.000 -0.000 3/33792 110.0 7.151 7.151 9.369 0.000 -0.000 -0.000 3/33792 120.0 6.443 6.443 8.489 0.000 -0.000 -0.000 3/33792 130.0 5.863 5.863 7.763 0.000 -0.000 -0.000 3/33792 140.0 5.378 5.378 7.151 0.000 -0.000 -0.000 3/33792 150.0 4.966 4.966 6.627 0.000 -0.000 -0.000 3/33792 160.0 4.611 4.611 6.173 0.000 -0.000 -0.000 3/33792 170.0 4.302 4.302 5.775 0.000 -0.000 -0.000 3/33792 180.0 4.031 4.031 5.424 0.000 -0.000 -0.000 3/33792 190.0 3.791 3.791 5.111 0.000 -0.000 -0.000 3/33792 200.0 3.577 3.577 4.831 0.000 -0.000 -0.000 3/33792 210.0 3.386 3.386 4.580 0.000 -0.000 -0.000 3/33792 220.0 3.214 3.214 4.352 0.000 -0.000 -0.000 3/33792 230.0 3.059 3.059 4.146 0.000 -0.000 -0.000 3/33792 240.0 2.918 2.918 3.958 0.000 -0.000 -0.000 3/33792 250.0 2.790 2.790 3.786 0.000 -0.000 -0.000 3/33792 260.0 2.673 2.673 3.629 0.000 -0.000 -0.000 3/33792 270.0 2.566 2.566 3.485 0.000 -0.000 -0.000 3/33792 280.0 2.468 2.468 3.352 0.000 -0.000 -0.000 3/33792 290.0 2.378 2.378 3.229 0.000 -0.000 -0.000 3/33792 300.0 2.294 2.294 3.116 0.000 -0.000 -0.000 3/33792 310.0 2.217 2.217 3.010 0.000 -0.000 -0.000 3/33792 320.0 2.145 2.145 2.912 0.000 -0.000 -0.000 3/33792 330.0 2.078 2.078 2.821 0.000 -0.000 -0.000 3/33792 340.0 2.016 2.016 2.736 0.000 -0.000 -0.000 3/33792 350.0 1.958 1.958 2.656 0.000 -0.000 -0.000 3/33792 360.0 1.904 1.904 2.581 0.000 -0.000 -0.000 3/33792 370.0 1.853 1.853 2.511 0.000 -0.000 -0.000 3/33792 380.0 1.805 1.805 2.445 0.000 -0.000 -0.000 3/33792 390.0 1.760 1.760 2.383 0.000 -0.000 -0.000 3/33792 400.0 1.718 1.718 2.324 0.000 -0.000 -0.000 3/33792 410.0 1.678 1.678 2.268 0.000 -0.000 -0.000 3/33792 420.0 1.640 1.640 2.216 0.000 -0.000 -0.000 3/33792 430.0 1.604 1.604 2.166 0.000 -0.000 -0.000 3/33792 440.0 1.570 1.570 2.118 0.000 -0.000 -0.000 3/33792 450.0 1.537 1.537 2.073 0.000 -0.000 -0.000 3/33792 460.0 1.506 1.506 2.030 0.000 -0.000 -0.000 3/33792 470.0 1.477 1.477 1.989 0.000 -0.000 -0.000 3/33792 480.0 1.449 1.449 1.950 0.000 -0.000 -0.000 3/33792 490.0 1.422 1.422 1.913 0.000 -0.000 -0.000 3/33792 500.0 1.396 1.396 1.877 0.000 -0.000 -0.000 3/33792 510.0 1.371 1.371 1.843 0.000 -0.000 -0.000 3/33792 520.0 1.348 1.348 1.810 0.000 -0.000 -0.000 3/33792 530.0 1.325 1.325 1.778 0.000 -0.000 -0.000 3/33792 540.0 1.303 1.303 1.748 0.000 -0.000 -0.000 3/33792 550.0 1.282 1.282 1.718 0.000 -0.000 -0.000 3/33792 560.0 1.262 1.262 1.690 0.000 -0.000 -0.000 3/33792 570.0 1.242 1.242 1.663 0.000 -0.000 -0.000 3/33792 580.0 1.223 1.223 1.637 0.000 -0.000 -0.000 3/33792 590.0 1.205 1.205 1.611 0.000 -0.000 -0.000 3/33792 600.0 1.187 1.187 1.587 0.000 -0.000 -0.000 3/33792 610.0 1.170 1.170 1.563 0.000 -0.000 -0.000 3/33792 620.0 1.154 1.154 1.540 0.000 -0.000 -0.000 3/33792 630.0 1.138 1.138 1.518 0.000 -0.000 -0.000 3/33792 640.0 1.122 1.122 1.497 0.000 -0.000 -0.000 3/33792 650.0 1.107 1.107 1.476 0.000 -0.000 -0.000 3/33792 660.0 1.092 1.092 1.455 0.000 -0.000 -0.000 3/33792 670.0 1.078 1.078 1.436 0.000 -0.000 -0.000 3/33792 680.0 1.064 1.064 1.417 0.000 -0.000 -0.000 3/33792 690.0 1.051 1.051 1.398 0.000 -0.000 -0.000 3/33792 700.0 1.038 1.038 1.380 0.000 -0.000 -0.000 3/33792 710.0 1.025 1.025 1.362 0.000 -0.000 -0.000 3/33792 720.0 1.013 1.013 1.345 0.000 -0.000 -0.000 3/33792 730.0 1.000 1.000 1.329 0.000 -0.000 -0.000 3/33792 740.0 0.989 0.989 1.312 0.000 -0.000 -0.000 3/33792 750.0 0.977 0.977 1.297 0.000 -0.000 -0.000 3/33792 760.0 0.966 0.966 1.281 0.000 -0.000 -0.000 3/33792 770.0 0.955 0.955 1.266 0.000 -0.000 -0.000 3/33792 780.0 0.944 0.944 1.251 0.000 -0.000 -0.000 3/33792 790.0 0.934 0.934 1.237 0.000 -0.000 -0.000 3/33792 800.0 0.923 0.923 1.223 0.000 -0.000 -0.000 3/33792 810.0 0.913 0.913 1.209 0.000 -0.000 -0.000 3/33792 820.0 0.904 0.904 1.196 0.000 -0.000 -0.000 3/33792 830.0 0.894 0.894 1.183 0.000 -0.000 -0.000 3/33792 840.0 0.885 0.885 1.170 0.000 -0.000 -0.000 3/33792 850.0 0.876 0.876 1.158 0.000 -0.000 -0.000 3/33792 860.0 0.867 0.867 1.146 0.000 -0.000 -0.000 3/33792 870.0 0.858 0.858 1.134 0.000 -0.000 -0.000 3/33792 880.0 0.849 0.849 1.122 0.000 -0.000 -0.000 3/33792 890.0 0.841 0.841 1.110 0.000 -0.000 -0.000 3/33792 900.0 0.833 0.833 1.099 0.000 -0.000 -0.000 3/33792 910.0 0.824 0.824 1.088 0.000 -0.000 -0.000 3/33792 920.0 0.816 0.816 1.077 0.000 -0.000 -0.000 3/33792 930.0 0.809 0.809 1.067 0.000 -0.000 -0.000 3/33792 940.0 0.801 0.801 1.056 0.000 -0.000 -0.000 3/33792 950.0 0.794 0.794 1.046 0.000 -0.000 -0.000 3/33792 960.0 0.786 0.786 1.036 0.000 -0.000 -0.000 3/33792 970.0 0.779 0.779 1.027 0.000 -0.000 -0.000 3/33792 980.0 0.772 0.772 1.017 0.000 -0.000 -0.000 3/33792 990.0 0.765 0.765 1.008 0.000 -0.000 -0.000 3/33792 1000.0 0.758 0.758 0.998 0.000 -0.000 -0.000 3/33792 Thermal conductivity related properties were written into "kappa-m888.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:07:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|