----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:55:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.530230735058359 -5.104292830000000 0.000000000000000 b 4.530230735058359 5.104292830000000 0.000000000000000 c -4.429092138305810 0.000000000000000 7.734243318469079 Atomic positions (fractional): *1 N 0.08744952002559 0.25941398227940 0.64999698342120 14.007 2 N 0.74058601772060 0.91255047997441 0.85000301657880 14.007 3 N 0.91255047997441 0.74058601772060 0.35000301657880 14.007 4 N 0.25941398227940 0.08744952002559 0.14999698342120 14.007 *5 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 6 N 0.50000000000000 0.50000000000000 0.00000000000000 14.007 *7 N 0.45636977964324 0.66566853049308 0.04916900386099 14.007 8 N 0.33433146950692 0.54363022035676 0.45083099613901 14.007 9 N 0.54363022035676 0.33433146950692 0.95083099613901 14.007 10 N 0.66566853049308 0.45636977964324 0.54916900386099 14.007 *11 N 0.18049707624760 0.21142509376814 0.10152129090403 14.007 12 N 0.78857490623186 0.81950292375240 0.39847870909597 14.007 13 N 0.81950292375240 0.78857490623186 0.89847870909597 14.007 14 N 0.21142509376814 0.18049707624760 0.60152129090403 14.007 *15 N 0.10005229355926 0.33641542358131 0.05377057470602 14.007 16 N 0.66358457641869 0.89994770644074 0.44622942529398 14.007 17 N 0.89994770644074 0.66358457641869 0.94622942529398 14.007 18 N 0.33641542358131 0.10005229355926 0.55377057470602 14.007 *19 Sr 0.76136256421313 0.23863743578687 0.75000000000000 87.620 20 Sr 0.23863743578687 0.76136256421313 0.25000000000000 87.620 *21 Cs 0.20758631544915 0.79241368455085 0.75000000000000 132.905 22 Cs 0.79241368455085 0.20758631544915 0.25000000000000 132.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.060461470116719 0.000000000000000 0.000000000000000 b 0.000000000000000 10.208585660000001 0.000000000000000 c -4.429092138305810 0.000000000000000 7.734243318469079 Atomic positions (fractional): *1 N 0.17343175115249 0.08598223112691 0.64999698342120 14.007 > 1 2 N 0.82656824884751 0.08598223112691 0.85000301657880 14.007 > 2 3 N 0.82656824884751 0.91401776887309 0.35000301657880 14.007 > 3 4 N 0.17343175115249 0.91401776887309 0.14999698342120 14.007 > 4 *5 N 0.50000000000000 0.00000000000000 0.50000000000000 14.007 > 5 6 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 6 *7 N 0.56101915506816 0.10464937542492 0.04916900386099 14.007 > 7 8 N 0.43898084493184 0.10464937542492 0.45083099613901 14.007 > 8 9 N 0.43898084493184 0.89535062457508 0.95083099613901 14.007 > 9 10 N 0.56101915506816 0.89535062457508 0.54916900386099 14.007 > 10 *11 N 0.19596108500787 0.01546400876027 0.10152129090403 14.007 > 11 12 N 0.80403891499213 0.01546400876027 0.39847870909597 14.007 > 12 13 N 0.80403891499213 0.98453599123973 0.89847870909597 14.007 > 13 14 N 0.19596108500787 0.98453599123973 0.60152129090403 14.007 > 14 *15 N 0.21823385857028 0.11818156501103 0.05377057470602 14.007 > 15 16 N 0.78176614142972 0.11818156501103 0.44622942529398 14.007 > 16 17 N 0.78176614142972 0.88181843498898 0.94622942529398 14.007 > 17 18 N 0.21823385857028 0.88181843498898 0.55377057470602 14.007 > 18 19 N 0.67343175115249 0.58598223112691 0.64999698342120 14.007 > 1 20 N 0.32656824884751 0.58598223112691 0.85000301657880 14.007 > 2 21 N 0.32656824884751 0.41401776887309 0.35000301657880 14.007 > 3 22 N 0.67343175115249 0.41401776887309 0.14999698342120 14.007 > 4 23 N 0.00000000000000 0.50000000000000 0.50000000000000 14.007 > 5 24 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 > 6 25 N 0.06101915506816 0.60464937542492 0.04916900386099 14.007 > 7 26 N 0.93898084493184 0.60464937542492 0.45083099613901 14.007 > 8 27 N 0.93898084493184 0.39535062457508 0.95083099613901 14.007 > 9 28 N 0.06101915506816 0.39535062457508 0.54916900386099 14.007 > 10 29 N 0.69596108500787 0.51546400876027 0.10152129090403 14.007 > 11 30 N 0.30403891499213 0.51546400876027 0.39847870909597 14.007 > 12 31 N 0.30403891499213 0.48453599123973 0.89847870909597 14.007 > 13 32 N 0.69596108500787 0.48453599123973 0.60152129090403 14.007 > 14 33 N 0.71823385857028 0.61818156501102 0.05377057470602 14.007 > 15 34 N 0.28176614142972 0.61818156501102 0.44622942529398 14.007 > 16 35 N 0.28176614142972 0.38181843498897 0.94622942529398 14.007 > 17 36 N 0.71823385857028 0.38181843498897 0.55377057470602 14.007 > 18 *37 Sr 0.50000000000000 0.73863743578687 0.75000000000000 87.620 > 19 38 Sr 0.50000000000000 0.26136256421313 0.25000000000000 87.620 > 20 39 Sr 0.00000000000000 0.23863743578687 0.75000000000000 87.620 > 19 40 Sr 0.00000000000000 0.76136256421313 0.25000000000000 87.620 > 20 *41 Cs 0.50000000000000 0.29241368455085 0.75000000000000 132.905 > 21 42 Cs 0.50000000000000 0.70758631544915 0.25000000000000 132.905 > 22 43 Cs 0.00000000000000 0.79241368455085 0.75000000000000 132.905 > 21 44 Cs 0.00000000000000 0.20758631544915 0.25000000000000 132.905 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.060461470116719 0.000000000000000 0.000000000000000 b 0.000000000000000 10.208585660000001 0.000000000000000 c -8.858184276611620 0.000000000000000 15.468486636938158 Atomic positions (fractional): *1 N 0.17343175115249 0.08598223112691 0.32499849171060 14.007 > 1 2 N 0.17343175115249 0.08598223112691 0.82499849171060 14.007 > 1 3 N 0.82656824884751 0.08598223112691 0.42500150828940 14.007 > 2 4 N 0.82656824884751 0.08598223112691 0.92500150828940 14.007 > 2 5 N 0.82656824884751 0.91401776887309 0.17500150828940 14.007 > 3 6 N 0.82656824884751 0.91401776887309 0.67500150828940 14.007 > 3 7 N 0.17343175115249 0.91401776887309 0.07499849171060 14.007 > 4 8 N 0.17343175115249 0.91401776887309 0.57499849171060 14.007 > 4 *9 N 0.50000000000000 0.00000000000000 0.25000000000000 14.007 > 5 10 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 5 11 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 6 12 N 0.50000000000000 0.00000000000000 0.50000000000000 14.007 > 6 *13 N 0.56101915506816 0.10464937542492 0.02458450193049 14.007 > 7 14 N 0.56101915506816 0.10464937542492 0.52458450193049 14.007 > 7 15 N 0.43898084493184 0.10464937542492 0.22541549806951 14.007 > 8 16 N 0.43898084493184 0.10464937542492 0.72541549806951 14.007 > 8 17 N 0.43898084493184 0.89535062457508 0.47541549806951 14.007 > 9 18 N 0.43898084493184 0.89535062457508 0.97541549806951 14.007 > 9 19 N 0.56101915506816 0.89535062457508 0.27458450193049 14.007 > 10 20 N 0.56101915506816 0.89535062457508 0.77458450193049 14.007 > 10 *21 N 0.19596108500787 0.01546400876027 0.05076064545201 14.007 > 11 22 N 0.19596108500787 0.01546400876027 0.55076064545201 14.007 > 11 23 N 0.80403891499213 0.01546400876027 0.19923935454799 14.007 > 12 24 N 0.80403891499213 0.01546400876027 0.69923935454799 14.007 > 12 25 N 0.80403891499213 0.98453599123973 0.44923935454799 14.007 > 13 26 N 0.80403891499213 0.98453599123973 0.94923935454799 14.007 > 13 27 N 0.19596108500787 0.98453599123973 0.30076064545201 14.007 > 14 28 N 0.19596108500787 0.98453599123973 0.80076064545201 14.007 > 14 *29 N 0.21823385857028 0.11818156501103 0.02688528735301 14.007 > 15 30 N 0.21823385857028 0.11818156501103 0.52688528735301 14.007 > 15 31 N 0.78176614142972 0.11818156501103 0.22311471264699 14.007 > 16 32 N 0.78176614142972 0.11818156501103 0.72311471264699 14.007 > 16 33 N 0.78176614142972 0.88181843498898 0.47311471264699 14.007 > 17 34 N 0.78176614142972 0.88181843498898 0.97311471264699 14.007 > 17 35 N 0.21823385857028 0.88181843498898 0.27688528735301 14.007 > 18 36 N 0.21823385857028 0.88181843498898 0.77688528735301 14.007 > 18 37 N 0.67343175115249 0.58598223112691 0.32499849171060 14.007 > 1 38 N 0.67343175115249 0.58598223112691 0.82499849171060 14.007 > 1 39 N 0.32656824884751 0.58598223112691 0.42500150828940 14.007 > 2 40 N 0.32656824884751 0.58598223112691 0.92500150828940 14.007 > 2 41 N 0.32656824884751 0.41401776887309 0.17500150828940 14.007 > 3 42 N 0.32656824884751 0.41401776887309 0.67500150828940 14.007 > 3 43 N 0.67343175115249 0.41401776887309 0.07499849171060 14.007 > 4 44 N 0.67343175115249 0.41401776887309 0.57499849171060 14.007 > 4 45 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 5 46 N 0.00000000000000 0.50000000000000 0.75000000000000 14.007 > 5 47 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 > 6 48 N 0.00000000000000 0.50000000000000 0.50000000000000 14.007 > 6 49 N 0.06101915506816 0.60464937542492 0.02458450193049 14.007 > 7 50 N 0.06101915506816 0.60464937542492 0.52458450193049 14.007 > 7 51 N 0.93898084493184 0.60464937542492 0.22541549806951 14.007 > 8 52 N 0.93898084493184 0.60464937542492 0.72541549806951 14.007 > 8 53 N 0.93898084493184 0.39535062457508 0.47541549806951 14.007 > 9 54 N 0.93898084493184 0.39535062457508 0.97541549806951 14.007 > 9 55 N 0.06101915506816 0.39535062457508 0.27458450193049 14.007 > 10 56 N 0.06101915506816 0.39535062457508 0.77458450193049 14.007 > 10 57 N 0.69596108500787 0.51546400876027 0.05076064545201 14.007 > 11 58 N 0.69596108500787 0.51546400876027 0.55076064545201 14.007 > 11 59 N 0.30403891499213 0.51546400876027 0.19923935454799 14.007 > 12 60 N 0.30403891499213 0.51546400876027 0.69923935454799 14.007 > 12 61 N 0.30403891499213 0.48453599123973 0.44923935454799 14.007 > 13 62 N 0.30403891499213 0.48453599123973 0.94923935454799 14.007 > 13 63 N 0.69596108500787 0.48453599123973 0.30076064545201 14.007 > 14 64 N 0.69596108500787 0.48453599123973 0.80076064545201 14.007 > 14 65 N 0.71823385857028 0.61818156501102 0.02688528735301 14.007 > 15 66 N 0.71823385857028 0.61818156501102 0.52688528735301 14.007 > 15 67 N 0.28176614142972 0.61818156501102 0.22311471264699 14.007 > 16 68 N 0.28176614142972 0.61818156501102 0.72311471264699 14.007 > 16 69 N 0.28176614142972 0.38181843498897 0.47311471264699 14.007 > 17 70 N 0.28176614142972 0.38181843498897 0.97311471264699 14.007 > 17 71 N 0.71823385857028 0.38181843498897 0.27688528735301 14.007 > 18 72 N 0.71823385857028 0.38181843498897 0.77688528735301 14.007 > 18 *73 Sr 0.50000000000000 0.73863743578687 0.37500000000000 87.620 > 19 74 Sr 0.50000000000000 0.73863743578687 0.87500000000000 87.620 > 19 75 Sr 0.50000000000000 0.26136256421313 0.12500000000000 87.620 > 20 76 Sr 0.50000000000000 0.26136256421313 0.62500000000000 87.620 > 20 77 Sr 0.00000000000000 0.23863743578687 0.37500000000000 87.620 > 19 78 Sr 0.00000000000000 0.23863743578687 0.87500000000000 87.620 > 19 79 Sr 0.00000000000000 0.76136256421313 0.12500000000000 87.620 > 20 80 Sr 0.00000000000000 0.76136256421313 0.62500000000000 87.620 > 20 *81 Cs 0.50000000000000 0.29241368455085 0.37500000000000 132.905 > 21 82 Cs 0.50000000000000 0.29241368455085 0.87500000000000 132.905 > 21 83 Cs 0.50000000000000 0.70758631544915 0.12500000000000 132.905 > 22 84 Cs 0.50000000000000 0.70758631544915 0.62500000000000 132.905 > 22 85 Cs 0.00000000000000 0.79241368455085 0.37500000000000 132.905 > 21 86 Cs 0.00000000000000 0.79241368455085 0.87500000000000 132.905 > 21 87 Cs 0.00000000000000 0.20758631544915 0.12500000000000 132.905 > 22 88 Cs 0.00000000000000 0.20758631544915 0.62500000000000 132.905 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5969194 0.0000000 -0.0875262 0.0000000 3.7775221 0.0000000 -0.0875271 0.0000000 2.6090512 -------------------------- Born effective charges -------------------------- 1 N -0.8914523 0.6765120 0.2939663 0.6986193 -2.0715272 -0.5235266 0.2645279 -0.5205710 -0.6755719 2 N -0.8914523 -0.6765120 0.2939663 -0.6986193 -2.0715272 0.5235266 0.2645279 0.5205710 -0.6755719 3 N -0.8914523 0.6765120 0.2939663 0.6986193 -2.0715272 -0.5235266 0.2645279 -0.5205710 -0.6755719 4 N -0.8914523 -0.6765120 0.2939663 -0.6986193 -2.0715272 0.5235266 0.2645279 0.5205710 -0.6755719 5 N 0.1987390 -0.7949386 0.3512348 -1.0064008 2.9788754 -1.1785157 0.4398368 -1.1162709 0.3404251 6 N 0.1987390 0.7949386 0.3512348 1.0064008 2.9788754 1.1785157 0.4398368 1.1162709 0.3404251 7 N -0.6976931 -0.4269805 -0.0796461 -0.4589471 -2.3400044 -0.6662982 -0.0681153 -0.6248438 -0.8389815 8 N -0.6976931 0.4269805 -0.0796461 0.4589471 -2.3400044 0.6662982 -0.0681153 0.6248438 -0.8389815 9 N -0.6976931 -0.4269805 -0.0796461 -0.4589471 -2.3400044 -0.6662982 -0.0681153 -0.6248438 -0.8389815 10 N -0.6976931 0.4269805 -0.0796461 0.4589471 -2.3400044 0.6662982 -0.0681153 0.6248438 -0.8389815 11 N 0.4335493 1.1297560 -0.3650675 1.0961383 2.5155409 -0.9345201 -0.3057630 -0.8744691 0.2348743 12 N 0.4335493 -1.1297560 -0.3650675 -1.0961383 2.5155409 0.9345201 -0.3057630 0.8744691 0.2348743 13 N 0.4335493 1.1297560 -0.3650675 1.0961383 2.5155409 -0.9345201 -0.3057630 -0.8744691 0.2348743 14 N 0.4335493 -1.1297560 -0.3650675 -1.0961383 2.5155409 0.9345201 -0.3057630 0.8744691 0.2348743 15 N -0.8796458 -0.6889326 0.0587263 -0.6000285 -2.0749045 0.5165593 0.0720346 0.4629669 -0.9121680 16 N -0.8796458 0.6889326 0.0587263 0.6000285 -2.0749045 -0.5165593 0.0720346 -0.4629669 -0.9121680 17 N -0.8796458 -0.6889326 0.0587263 -0.6000285 -2.0749045 0.5165593 0.0720346 0.4629669 -0.9121680 18 N -0.8796458 0.6889326 0.0587263 0.6000285 -2.0749045 -0.5165593 0.0720346 -0.4629669 -0.9121680 19 Sr 2.5424694 0.0000000 -0.0717045 0.0000000 3.5278041 0.0000000 -0.3744639 0.0000000 2.6983059 20 Sr 2.5424694 0.0000000 -0.0717045 0.0000000 3.5278041 0.0000000 -0.3744639 0.0000000 2.6983059 21 Cs 1.3292754 0.0000000 -0.0954881 0.0000000 1.4351107 0.0000000 0.0092588 0.0000000 1.3449633 22 Cs 1.3292754 0.0000000 -0.0954881 0.0000000 1.4351107 0.0000000 0.0092588 0.0000000 1.3449633 ---------------------------------------------------------------------------- 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: 264/264 Permutation basis: 11766/11766 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2290 Number of blocks in projector: 2290 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 494 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 478 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 478 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (2290, 2236), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (478, 468), data: True |-- (478, 468), data: True |-- (494, 481), data: True ----- Solver_atoms: 1 -- 88 / 88 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 1.161 Solver_block: 200 / 720 - Time: 0.512 Solver_block: 300 / 720 - Time: 0.513 Solver_block: 400 / 720 - Time: 0.493 Solver_block: 500 / 720 - Time: 0.607 Solver_block: 600 / 720 - Time: 0.461 Solver_block: 700 / 720 - Time: 0.470 Solver_block: 720 / 720 - Time: 0.191 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.612 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 264/264 Permutation basis: 11766/11766 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2290 Number of blocks in projector: 2290 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 494 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 478 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 478 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 280 Use standard eigh solver. Tree of FC basis block matrices: - (2290, 2236), data: False |-- (280, 273), data: True |-- (280, 273), data: True |-- (280, 273), data: True |-- (478, 468), data: True |-- (478, 468), data: True |-- (494, 481), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 07:56:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:56:34]------------------------- 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 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.530230735058359 -5.104292830000000 0.000000000000000 b 4.530230735058359 5.104292830000000 0.000000000000000 c -4.429092138305810 0.000000000000000 7.734243318469079 Atomic positions (fractional): 1 N 0.08744952002559 0.25941398227940 0.64999698342120 14.007 2 N 0.74058601772060 0.91255047997441 0.85000301657880 14.007 3 N 0.91255047997441 0.74058601772060 0.35000301657880 14.007 4 N 0.25941398227940 0.08744952002559 0.14999698342120 14.007 5 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 6 N 0.50000000000000 0.50000000000000 0.00000000000000 14.007 7 N 0.45636977964324 0.66566853049308 0.04916900386099 14.007 8 N 0.33433146950692 0.54363022035676 0.45083099613901 14.007 9 N 0.54363022035676 0.33433146950692 0.95083099613901 14.007 10 N 0.66566853049308 0.45636977964324 0.54916900386099 14.007 11 N 0.18049707624760 0.21142509376814 0.10152129090403 14.007 12 N 0.78857490623186 0.81950292375240 0.39847870909597 14.007 13 N 0.81950292375240 0.78857490623186 0.89847870909597 14.007 14 N 0.21142509376814 0.18049707624760 0.60152129090403 14.007 15 N 0.10005229355926 0.33641542358131 0.05377057470602 14.007 16 N 0.66358457641869 0.89994770644074 0.44622942529398 14.007 17 N 0.89994770644074 0.66358457641869 0.94622942529398 14.007 18 N 0.33641542358131 0.10005229355926 0.55377057470602 14.007 19 Sr 0.76136256421313 0.23863743578687 0.75000000000000 87.620 20 Sr 0.23863743578687 0.76136256421313 0.25000000000000 87.620 21 Cs 0.20758631544915 0.79241368455085 0.75000000000000 132.905 22 Cs 0.79241368455085 0.20758631544915 0.25000000000000 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.060461470116719 0.000000000000000 0.000000000000000 b 0.000000000000000 10.208585660000001 0.000000000000000 c -8.858184276611620 0.000000000000000 15.468486636938158 Atomic positions (fractional): 1 N 0.17343175115249 0.08598223112691 0.32499849171060 14.007 > 1 2 N 0.17343175115249 0.08598223112691 0.82499849171060 14.007 > 1 3 N 0.82656824884751 0.08598223112691 0.42500150828940 14.007 > 3 4 N 0.82656824884751 0.08598223112691 0.92500150828940 14.007 > 3 5 N 0.82656824884751 0.91401776887309 0.17500150828940 14.007 > 5 6 N 0.82656824884751 0.91401776887309 0.67500150828940 14.007 > 5 7 N 0.17343175115249 0.91401776887309 0.07499849171060 14.007 > 7 8 N 0.17343175115249 0.91401776887309 0.57499849171060 14.007 > 7 9 N 0.50000000000000 0.00000000000000 0.25000000000000 14.007 > 9 10 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 9 11 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 11 12 N 0.50000000000000 0.00000000000000 0.50000000000000 14.007 > 11 13 N 0.56101915506816 0.10464937542492 0.02458450193049 14.007 > 13 14 N 0.56101915506816 0.10464937542492 0.52458450193049 14.007 > 13 15 N 0.43898084493184 0.10464937542492 0.22541549806951 14.007 > 15 16 N 0.43898084493184 0.10464937542492 0.72541549806951 14.007 > 15 17 N 0.43898084493184 0.89535062457508 0.47541549806951 14.007 > 17 18 N 0.43898084493184 0.89535062457508 0.97541549806951 14.007 > 17 19 N 0.56101915506816 0.89535062457508 0.27458450193049 14.007 > 19 20 N 0.56101915506816 0.89535062457508 0.77458450193049 14.007 > 19 21 N 0.19596108500787 0.01546400876027 0.05076064545201 14.007 > 21 22 N 0.19596108500787 0.01546400876027 0.55076064545201 14.007 > 21 23 N 0.80403891499213 0.01546400876027 0.19923935454799 14.007 > 23 24 N 0.80403891499213 0.01546400876027 0.69923935454799 14.007 > 23 25 N 0.80403891499213 0.98453599123973 0.44923935454799 14.007 > 25 26 N 0.80403891499213 0.98453599123973 0.94923935454799 14.007 > 25 27 N 0.19596108500787 0.98453599123973 0.30076064545201 14.007 > 27 28 N 0.19596108500787 0.98453599123973 0.80076064545201 14.007 > 27 29 N 0.21823385857028 0.11818156501103 0.02688528735301 14.007 > 29 30 N 0.21823385857028 0.11818156501103 0.52688528735301 14.007 > 29 31 N 0.78176614142972 0.11818156501103 0.22311471264699 14.007 > 31 32 N 0.78176614142972 0.11818156501103 0.72311471264699 14.007 > 31 33 N 0.78176614142972 0.88181843498898 0.47311471264699 14.007 > 33 34 N 0.78176614142972 0.88181843498898 0.97311471264699 14.007 > 33 35 N 0.21823385857028 0.88181843498898 0.27688528735301 14.007 > 35 36 N 0.21823385857028 0.88181843498898 0.77688528735301 14.007 > 35 37 N 0.67343175115249 0.58598223112691 0.32499849171060 14.007 > 1 38 N 0.67343175115249 0.58598223112691 0.82499849171060 14.007 > 1 39 N 0.32656824884751 0.58598223112691 0.42500150828940 14.007 > 3 40 N 0.32656824884751 0.58598223112691 0.92500150828940 14.007 > 3 41 N 0.32656824884751 0.41401776887309 0.17500150828940 14.007 > 5 42 N 0.32656824884751 0.41401776887309 0.67500150828940 14.007 > 5 43 N 0.67343175115249 0.41401776887309 0.07499849171060 14.007 > 7 44 N 0.67343175115249 0.41401776887309 0.57499849171060 14.007 > 7 45 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 9 46 N 0.00000000000000 0.50000000000000 0.75000000000000 14.007 > 9 47 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 > 11 48 N 0.00000000000000 0.50000000000000 0.50000000000000 14.007 > 11 49 N 0.06101915506816 0.60464937542492 0.02458450193049 14.007 > 13 50 N 0.06101915506816 0.60464937542492 0.52458450193049 14.007 > 13 51 N 0.93898084493184 0.60464937542492 0.22541549806951 14.007 > 15 52 N 0.93898084493184 0.60464937542492 0.72541549806951 14.007 > 15 53 N 0.93898084493184 0.39535062457508 0.47541549806951 14.007 > 17 54 N 0.93898084493184 0.39535062457508 0.97541549806951 14.007 > 17 55 N 0.06101915506816 0.39535062457508 0.27458450193049 14.007 > 19 56 N 0.06101915506816 0.39535062457508 0.77458450193049 14.007 > 19 57 N 0.69596108500787 0.51546400876027 0.05076064545201 14.007 > 21 58 N 0.69596108500787 0.51546400876027 0.55076064545201 14.007 > 21 59 N 0.30403891499213 0.51546400876027 0.19923935454799 14.007 > 23 60 N 0.30403891499213 0.51546400876027 0.69923935454799 14.007 > 23 61 N 0.30403891499213 0.48453599123973 0.44923935454799 14.007 > 25 62 N 0.30403891499213 0.48453599123973 0.94923935454799 14.007 > 25 63 N 0.69596108500787 0.48453599123973 0.30076064545201 14.007 > 27 64 N 0.69596108500787 0.48453599123973 0.80076064545201 14.007 > 27 65 N 0.71823385857028 0.61818156501102 0.02688528735301 14.007 > 29 66 N 0.71823385857028 0.61818156501102 0.52688528735301 14.007 > 29 67 N 0.28176614142972 0.61818156501102 0.22311471264699 14.007 > 31 68 N 0.28176614142972 0.61818156501102 0.72311471264699 14.007 > 31 69 N 0.28176614142972 0.38181843498897 0.47311471264699 14.007 > 33 70 N 0.28176614142972 0.38181843498897 0.97311471264699 14.007 > 33 71 N 0.71823385857028 0.38181843498897 0.27688528735301 14.007 > 35 72 N 0.71823385857028 0.38181843498897 0.77688528735301 14.007 > 35 73 Sr 0.50000000000000 0.73863743578687 0.37500000000000 87.620 > 73 74 Sr 0.50000000000000 0.73863743578687 0.87500000000000 87.620 > 73 75 Sr 0.50000000000000 0.26136256421313 0.12500000000000 87.620 > 75 76 Sr 0.50000000000000 0.26136256421313 0.62500000000000 87.620 > 75 77 Sr 0.00000000000000 0.23863743578687 0.37500000000000 87.620 > 73 78 Sr 0.00000000000000 0.23863743578687 0.87500000000000 87.620 > 73 79 Sr 0.00000000000000 0.76136256421313 0.12500000000000 87.620 > 75 80 Sr 0.00000000000000 0.76136256421313 0.62500000000000 87.620 > 75 81 Cs 0.50000000000000 0.29241368455085 0.37500000000000 132.905 > 81 82 Cs 0.50000000000000 0.29241368455085 0.87500000000000 132.905 > 81 83 Cs 0.50000000000000 0.70758631544915 0.12500000000000 132.905 > 83 84 Cs 0.50000000000000 0.70758631544915 0.62500000000000 132.905 > 83 85 Cs 0.00000000000000 0.79241368455085 0.37500000000000 132.905 > 81 86 Cs 0.00000000000000 0.79241368455085 0.87500000000000 132.905 > 81 87 Cs 0.00000000000000 0.20758631544915 0.12500000000000 132.905 > 83 88 Cs 0.00000000000000 0.20758631544915 0.62500000000000 132.905 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5969194 0.0000000 -0.0875262 0.0000000 3.7775221 0.0000000 -0.0875271 0.0000000 2.6090512 -------------------------- Born effective charges -------------------------- 1 N -0.8914523 0.6765120 0.2939663 0.6986193 -2.0715272 -0.5235266 0.2645279 -0.5205710 -0.6755719 2 N -0.8914523 -0.6765120 0.2939663 -0.6986193 -2.0715272 0.5235266 0.2645279 0.5205710 -0.6755719 3 N -0.8914523 0.6765120 0.2939663 0.6986193 -2.0715272 -0.5235266 0.2645279 -0.5205710 -0.6755719 4 N -0.8914523 -0.6765120 0.2939663 -0.6986193 -2.0715272 0.5235266 0.2645279 0.5205710 -0.6755719 5 N 0.1987390 -0.7949386 0.3512348 -1.0064008 2.9788754 -1.1785157 0.4398368 -1.1162709 0.3404251 6 N 0.1987390 0.7949386 0.3512348 1.0064008 2.9788754 1.1785157 0.4398368 1.1162709 0.3404251 7 N -0.6976931 -0.4269805 -0.0796461 -0.4589471 -2.3400044 -0.6662982 -0.0681153 -0.6248438 -0.8389815 8 N -0.6976931 0.4269805 -0.0796461 0.4589471 -2.3400044 0.6662982 -0.0681153 0.6248438 -0.8389815 9 N -0.6976931 -0.4269805 -0.0796461 -0.4589471 -2.3400044 -0.6662982 -0.0681153 -0.6248438 -0.8389815 10 N -0.6976931 0.4269805 -0.0796461 0.4589471 -2.3400044 0.6662982 -0.0681153 0.6248438 -0.8389815 11 N 0.4335493 1.1297560 -0.3650675 1.0961383 2.5155409 -0.9345201 -0.3057630 -0.8744691 0.2348743 12 N 0.4335493 -1.1297560 -0.3650675 -1.0961383 2.5155409 0.9345201 -0.3057630 0.8744691 0.2348743 13 N 0.4335493 1.1297560 -0.3650675 1.0961383 2.5155409 -0.9345201 -0.3057630 -0.8744691 0.2348743 14 N 0.4335493 -1.1297560 -0.3650675 -1.0961383 2.5155409 0.9345201 -0.3057630 0.8744691 0.2348743 15 N -0.8796458 -0.6889326 0.0587263 -0.6000285 -2.0749045 0.5165593 0.0720346 0.4629669 -0.9121680 16 N -0.8796458 0.6889326 0.0587263 0.6000285 -2.0749045 -0.5165593 0.0720346 -0.4629669 -0.9121680 17 N -0.8796458 -0.6889326 0.0587263 -0.6000285 -2.0749045 0.5165593 0.0720346 0.4629669 -0.9121680 18 N -0.8796458 0.6889326 0.0587263 0.6000285 -2.0749045 -0.5165593 0.0720346 -0.4629669 -0.9121680 19 Sr 2.5424694 0.0000000 -0.0717045 0.0000000 3.5278041 0.0000000 -0.3744639 0.0000000 2.6983059 20 Sr 2.5424694 0.0000000 -0.0717045 0.0000000 3.5278041 0.0000000 -0.3744639 0.0000000 2.6983059 21 Cs 1.3292754 0.0000000 -0.0954881 0.0000000 1.4351107 0.0000000 0.0092588 0.0000000 1.3449633 22 Cs 1.3292754 0.0000000 -0.0954881 0.0000000 1.4351107 0.0000000 0.0092588 0.0000000 1.3449633 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000027 (yyy) 0.00000027 (yyy) 0.00000027 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000039 (zx) -0.00000039 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:56:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:56:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.530230735058359 -5.104292830000000 0.000000000000000 b 4.530230735058359 5.104292830000000 0.000000000000000 c -4.429092138305810 0.000000000000000 7.734243318469079 Atomic positions (fractional): 1 N 0.08744952002559 0.25941398227940 0.64999698342120 14.007 2 N 0.74058601772060 0.91255047997441 0.85000301657880 14.007 3 N 0.91255047997441 0.74058601772060 0.35000301657880 14.007 4 N 0.25941398227940 0.08744952002559 0.14999698342120 14.007 5 N 0.50000000000000 0.50000000000000 0.50000000000000 14.007 6 N 0.50000000000000 0.50000000000000 0.00000000000000 14.007 7 N 0.45636977964324 0.66566853049308 0.04916900386099 14.007 8 N 0.33433146950692 0.54363022035676 0.45083099613901 14.007 9 N 0.54363022035676 0.33433146950692 0.95083099613901 14.007 10 N 0.66566853049308 0.45636977964324 0.54916900386099 14.007 11 N 0.18049707624760 0.21142509376814 0.10152129090403 14.007 12 N 0.78857490623186 0.81950292375240 0.39847870909597 14.007 13 N 0.81950292375240 0.78857490623186 0.89847870909597 14.007 14 N 0.21142509376814 0.18049707624760 0.60152129090403 14.007 15 N 0.10005229355926 0.33641542358131 0.05377057470602 14.007 16 N 0.66358457641869 0.89994770644074 0.44622942529398 14.007 17 N 0.89994770644074 0.66358457641869 0.94622942529398 14.007 18 N 0.33641542358131 0.10005229355926 0.55377057470602 14.007 19 Sr 0.76136256421313 0.23863743578687 0.75000000000000 87.620 20 Sr 0.23863743578687 0.76136256421313 0.25000000000000 87.620 21 Cs 0.20758631544915 0.79241368455085 0.75000000000000 132.905 22 Cs 0.79241368455085 0.20758631544915 0.25000000000000 132.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.060461470116719 0.000000000000000 0.000000000000000 b 0.000000000000000 10.208585660000001 0.000000000000000 c -8.858184276611620 0.000000000000000 15.468486636938158 Atomic positions (fractional): 1 N 0.17343175115249 0.08598223112691 0.32499849171060 14.007 > 1 2 N 0.17343175115249 0.08598223112691 0.82499849171060 14.007 > 1 3 N 0.82656824884751 0.08598223112691 0.42500150828940 14.007 > 3 4 N 0.82656824884751 0.08598223112691 0.92500150828940 14.007 > 3 5 N 0.82656824884751 0.91401776887309 0.17500150828940 14.007 > 5 6 N 0.82656824884751 0.91401776887309 0.67500150828940 14.007 > 5 7 N 0.17343175115249 0.91401776887309 0.07499849171060 14.007 > 7 8 N 0.17343175115249 0.91401776887309 0.57499849171060 14.007 > 7 9 N 0.50000000000000 0.00000000000000 0.25000000000000 14.007 > 9 10 N 0.50000000000000 0.00000000000000 0.75000000000000 14.007 > 9 11 N 0.50000000000000 0.00000000000000 0.00000000000000 14.007 > 11 12 N 0.50000000000000 0.00000000000000 0.50000000000000 14.007 > 11 13 N 0.56101915506816 0.10464937542492 0.02458450193049 14.007 > 13 14 N 0.56101915506816 0.10464937542492 0.52458450193049 14.007 > 13 15 N 0.43898084493184 0.10464937542492 0.22541549806951 14.007 > 15 16 N 0.43898084493184 0.10464937542492 0.72541549806951 14.007 > 15 17 N 0.43898084493184 0.89535062457508 0.47541549806951 14.007 > 17 18 N 0.43898084493184 0.89535062457508 0.97541549806951 14.007 > 17 19 N 0.56101915506816 0.89535062457508 0.27458450193049 14.007 > 19 20 N 0.56101915506816 0.89535062457508 0.77458450193049 14.007 > 19 21 N 0.19596108500787 0.01546400876027 0.05076064545201 14.007 > 21 22 N 0.19596108500787 0.01546400876027 0.55076064545201 14.007 > 21 23 N 0.80403891499213 0.01546400876027 0.19923935454799 14.007 > 23 24 N 0.80403891499213 0.01546400876027 0.69923935454799 14.007 > 23 25 N 0.80403891499213 0.98453599123973 0.44923935454799 14.007 > 25 26 N 0.80403891499213 0.98453599123973 0.94923935454799 14.007 > 25 27 N 0.19596108500787 0.98453599123973 0.30076064545201 14.007 > 27 28 N 0.19596108500787 0.98453599123973 0.80076064545201 14.007 > 27 29 N 0.21823385857028 0.11818156501103 0.02688528735301 14.007 > 29 30 N 0.21823385857028 0.11818156501103 0.52688528735301 14.007 > 29 31 N 0.78176614142972 0.11818156501103 0.22311471264699 14.007 > 31 32 N 0.78176614142972 0.11818156501103 0.72311471264699 14.007 > 31 33 N 0.78176614142972 0.88181843498898 0.47311471264699 14.007 > 33 34 N 0.78176614142972 0.88181843498898 0.97311471264699 14.007 > 33 35 N 0.21823385857028 0.88181843498898 0.27688528735301 14.007 > 35 36 N 0.21823385857028 0.88181843498898 0.77688528735301 14.007 > 35 37 N 0.67343175115249 0.58598223112691 0.32499849171060 14.007 > 1 38 N 0.67343175115249 0.58598223112691 0.82499849171060 14.007 > 1 39 N 0.32656824884751 0.58598223112691 0.42500150828940 14.007 > 3 40 N 0.32656824884751 0.58598223112691 0.92500150828940 14.007 > 3 41 N 0.32656824884751 0.41401776887309 0.17500150828940 14.007 > 5 42 N 0.32656824884751 0.41401776887309 0.67500150828940 14.007 > 5 43 N 0.67343175115249 0.41401776887309 0.07499849171060 14.007 > 7 44 N 0.67343175115249 0.41401776887309 0.57499849171060 14.007 > 7 45 N 0.00000000000000 0.50000000000000 0.25000000000000 14.007 > 9 46 N 0.00000000000000 0.50000000000000 0.75000000000000 14.007 > 9 47 N 0.00000000000000 0.50000000000000 0.00000000000000 14.007 > 11 48 N 0.00000000000000 0.50000000000000 0.50000000000000 14.007 > 11 49 N 0.06101915506816 0.60464937542492 0.02458450193049 14.007 > 13 50 N 0.06101915506816 0.60464937542492 0.52458450193049 14.007 > 13 51 N 0.93898084493184 0.60464937542492 0.22541549806951 14.007 > 15 52 N 0.93898084493184 0.60464937542492 0.72541549806951 14.007 > 15 53 N 0.93898084493184 0.39535062457508 0.47541549806951 14.007 > 17 54 N 0.93898084493184 0.39535062457508 0.97541549806951 14.007 > 17 55 N 0.06101915506816 0.39535062457508 0.27458450193049 14.007 > 19 56 N 0.06101915506816 0.39535062457508 0.77458450193049 14.007 > 19 57 N 0.69596108500787 0.51546400876027 0.05076064545201 14.007 > 21 58 N 0.69596108500787 0.51546400876027 0.55076064545201 14.007 > 21 59 N 0.30403891499213 0.51546400876027 0.19923935454799 14.007 > 23 60 N 0.30403891499213 0.51546400876027 0.69923935454799 14.007 > 23 61 N 0.30403891499213 0.48453599123973 0.44923935454799 14.007 > 25 62 N 0.30403891499213 0.48453599123973 0.94923935454799 14.007 > 25 63 N 0.69596108500787 0.48453599123973 0.30076064545201 14.007 > 27 64 N 0.69596108500787 0.48453599123973 0.80076064545201 14.007 > 27 65 N 0.71823385857028 0.61818156501102 0.02688528735301 14.007 > 29 66 N 0.71823385857028 0.61818156501102 0.52688528735301 14.007 > 29 67 N 0.28176614142972 0.61818156501102 0.22311471264699 14.007 > 31 68 N 0.28176614142972 0.61818156501102 0.72311471264699 14.007 > 31 69 N 0.28176614142972 0.38181843498897 0.47311471264699 14.007 > 33 70 N 0.28176614142972 0.38181843498897 0.97311471264699 14.007 > 33 71 N 0.71823385857028 0.38181843498897 0.27688528735301 14.007 > 35 72 N 0.71823385857028 0.38181843498897 0.77688528735301 14.007 > 35 73 Sr 0.50000000000000 0.73863743578687 0.37500000000000 87.620 > 73 74 Sr 0.50000000000000 0.73863743578687 0.87500000000000 87.620 > 73 75 Sr 0.50000000000000 0.26136256421313 0.12500000000000 87.620 > 75 76 Sr 0.50000000000000 0.26136256421313 0.62500000000000 87.620 > 75 77 Sr 0.00000000000000 0.23863743578687 0.37500000000000 87.620 > 73 78 Sr 0.00000000000000 0.23863743578687 0.87500000000000 87.620 > 73 79 Sr 0.00000000000000 0.76136256421313 0.12500000000000 87.620 > 75 80 Sr 0.00000000000000 0.76136256421313 0.62500000000000 87.620 > 75 81 Cs 0.50000000000000 0.29241368455085 0.37500000000000 132.905 > 81 82 Cs 0.50000000000000 0.29241368455085 0.87500000000000 132.905 > 81 83 Cs 0.50000000000000 0.70758631544915 0.12500000000000 132.905 > 83 84 Cs 0.50000000000000 0.70758631544915 0.62500000000000 132.905 > 83 85 Cs 0.00000000000000 0.79241368455085 0.37500000000000 132.905 > 81 86 Cs 0.00000000000000 0.79241368455085 0.87500000000000 132.905 > 81 87 Cs 0.00000000000000 0.20758631544915 0.12500000000000 132.905 > 83 88 Cs 0.00000000000000 0.20758631544915 0.62500000000000 132.905 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5969194 0.0000000 -0.0875262 0.0000000 3.7775221 0.0000000 -0.0875271 0.0000000 2.6090512 -------------------------- Born effective charges -------------------------- 1 N -0.8914523 0.6765120 0.2939663 0.6986193 -2.0715272 -0.5235266 0.2645279 -0.5205710 -0.6755719 2 N -0.8914523 -0.6765120 0.2939663 -0.6986193 -2.0715272 0.5235266 0.2645279 0.5205710 -0.6755719 3 N -0.8914523 0.6765120 0.2939663 0.6986193 -2.0715272 -0.5235266 0.2645279 -0.5205710 -0.6755719 4 N -0.8914523 -0.6765120 0.2939663 -0.6986193 -2.0715272 0.5235266 0.2645279 0.5205710 -0.6755719 5 N 0.1987390 -0.7949386 0.3512348 -1.0064008 2.9788754 -1.1785157 0.4398368 -1.1162709 0.3404251 6 N 0.1987390 0.7949386 0.3512348 1.0064008 2.9788754 1.1785157 0.4398368 1.1162709 0.3404251 7 N -0.6976931 -0.4269805 -0.0796461 -0.4589471 -2.3400044 -0.6662982 -0.0681153 -0.6248438 -0.8389815 8 N -0.6976931 0.4269805 -0.0796461 0.4589471 -2.3400044 0.6662982 -0.0681153 0.6248438 -0.8389815 9 N -0.6976931 -0.4269805 -0.0796461 -0.4589471 -2.3400044 -0.6662982 -0.0681153 -0.6248438 -0.8389815 10 N -0.6976931 0.4269805 -0.0796461 0.4589471 -2.3400044 0.6662982 -0.0681153 0.6248438 -0.8389815 11 N 0.4335493 1.1297560 -0.3650675 1.0961383 2.5155409 -0.9345201 -0.3057630 -0.8744691 0.2348743 12 N 0.4335493 -1.1297560 -0.3650675 -1.0961383 2.5155409 0.9345201 -0.3057630 0.8744691 0.2348743 13 N 0.4335493 1.1297560 -0.3650675 1.0961383 2.5155409 -0.9345201 -0.3057630 -0.8744691 0.2348743 14 N 0.4335493 -1.1297560 -0.3650675 -1.0961383 2.5155409 0.9345201 -0.3057630 0.8744691 0.2348743 15 N -0.8796458 -0.6889326 0.0587263 -0.6000285 -2.0749045 0.5165593 0.0720346 0.4629669 -0.9121680 16 N -0.8796458 0.6889326 0.0587263 0.6000285 -2.0749045 -0.5165593 0.0720346 -0.4629669 -0.9121680 17 N -0.8796458 -0.6889326 0.0587263 -0.6000285 -2.0749045 0.5165593 0.0720346 0.4629669 -0.9121680 18 N -0.8796458 0.6889326 0.0587263 0.6000285 -2.0749045 -0.5165593 0.0720346 -0.4629669 -0.9121680 19 Sr 2.5424694 0.0000000 -0.0717045 0.0000000 3.5278041 0.0000000 -0.3744639 0.0000000 2.6983059 20 Sr 2.5424694 0.0000000 -0.0717045 0.0000000 3.5278041 0.0000000 -0.3744639 0.0000000 2.6983059 21 Cs 1.3292754 0.0000000 -0.0954881 0.0000000 1.4351107 0.0000000 0.0092588 0.0000000 1.3449633 22 Cs 1.3292754 0.0000000 -0.0954881 0.0000000 1.4351107 0.0000000 0.0092588 0.0000000 1.3449633 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000027 (yyy) 0.00000027 (yyy) 0.00000027 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 283, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.157 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.438 ( 0.000 0.000 0.000) 0.000 1.549 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.341 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 2.878 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.464 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 4.262 ( 0.000 0.000 0.000) 0.000 4.376 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.901 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.296 ( 0.000 0.000 0.000) 0.000 5.468 ( 0.000 0.000 0.000) 0.000 5.572 ( 0.000 0.000 0.000) 0.000 5.749 ( 0.000 0.000 0.000) 0.000 5.835 ( 0.000 0.000 0.000) 0.000 5.858 ( 0.000 0.000 0.000) 0.000 5.956 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 7.048 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.921 ( 0.000 0.000 0.000) 0.000 18.570 ( 0.000 0.000 0.000) 0.000 18.618 ( 0.000 0.000 0.000) 0.000 18.631 ( 0.000 0.000 0.000) 0.000 18.658 ( 0.000 0.000 0.000) 0.000 18.661 ( 0.000 0.000 0.000) 0.000 18.767 ( 0.000 0.000 0.000) 0.000 18.924 ( 0.000 0.000 0.000) 0.000 18.939 ( 0.000 0.000 0.000) 0.000 19.262 ( 0.000 0.000 0.000) 0.000 19.286 ( 0.000 0.000 0.000) 0.000 19.433 ( 0.000 0.000 0.000) 0.000 19.494 ( 0.000 0.000 0.000) 0.000 41.878 ( 0.000 0.000 0.000) 0.000 41.892 ( 0.000 0.000 0.000) 0.000 41.976 ( 0.000 0.000 0.000) 0.000 41.982 ( 0.000 0.000 0.000) 0.000 42.070 ( 0.000 0.000 0.000) 0.000 42.074 ( 0.000 0.000 0.000) 0.000 65.833 ( 0.000 0.000 0.000) 0.000 66.071 ( 0.000 0.000 0.000) 0.000 66.320 ( 0.000 0.000 0.000) 0.000 66.352 ( 0.000 0.000 0.000) 0.000 66.412 ( 0.000 0.000 0.000) 0.000 66.993 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 13.649 -19.063 -2.295) 23.558 0.457 ( 4.519 -25.344 8.858) 27.225 0.540 ( 19.612 -9.831 11.279) 24.668 1.215 ( -2.256 -0.237 -1.162) 2.549 1.367 ( 11.064 8.844 9.027) 16.796 1.440 ( 0.559 0.422 0.883) 1.127 1.622 ( 1.772 -2.912 -1.487) 3.720 1.957 ( -1.726 0.997 -0.569) 2.073 2.333 ( -0.387 -0.781 -2.647) 2.787 2.366 ( 1.419 -0.780 -0.873) 1.839 2.834 ( -2.549 -1.153 -2.225) 3.575 2.904 ( 0.127 -4.222 -0.080) 4.225 3.040 ( 1.677 5.768 0.545) 6.031 3.125 ( -0.121 -0.575 -4.187) 4.227 3.328 ( 2.183 0.756 2.802) 3.632 3.368 ( 0.932 -0.815 -1.408) 1.875 3.583 ( 0.889 -5.760 -4.076) 7.112 3.593 ( 10.567 6.027 -0.828) 12.193 3.702 ( -3.487 3.515 3.665) 6.160 3.813 ( 3.425 0.441 -2.543) 4.288 3.912 ( 5.676 1.652 11.808) 13.205 4.217 ( -4.438 0.719 -0.842) 4.574 4.472 ( -0.194 -0.093 -1.141) 1.161 4.495 ( -3.368 -0.731 1.189) 3.645 4.682 ( 4.026 -2.063 -4.194) 6.169 4.748 ( -9.945 -1.688 16.206) 19.089 4.892 ( -0.491 2.695 0.276) 2.753 5.006 ( -0.893 -2.365 -0.362) 2.553 5.270 ( 6.393 8.161 -4.404) 11.263 5.355 ( -1.319 -3.138 0.688) 3.472 5.520 ( -1.076 0.246 -7.133) 7.218 5.740 ( -0.520 3.722 4.172) 5.615 5.829 ( 1.228 3.134 0.305) 3.379 5.870 ( 1.057 -1.232 3.525) 3.880 5.953 ( -2.630 -0.234 1.171) 2.888 6.099 ( -5.790 -1.337 -4.294) 7.331 6.249 ( -1.859 -0.089 -0.129) 1.865 6.403 ( -12.502 -32.422 -29.125) 45.340 6.904 ( 0.005 -0.244 -0.815) 0.850 7.022 ( -1.472 -1.688 -2.934) 3.691 7.394 ( 4.646 7.533 17.539) 19.646 7.877 ( -3.215 1.842 -2.328) 4.376 18.569 ( -0.370 -0.175 -0.159) 0.439 18.630 ( -0.047 -0.001 -0.119) 0.128 18.652 ( 0.605 2.117 2.150) 3.077 18.658 ( 0.564 0.143 -0.671) 0.888 18.669 ( 0.728 -0.082 0.425) 0.847 18.767 ( -0.168 0.026 0.044) 0.176 18.922 ( -0.066 0.112 -0.193) 0.233 18.980 ( 1.723 3.802 1.790) 4.542 19.255 ( -0.703 -0.016 -0.325) 0.775 19.286 ( -0.069 -0.005 0.097) 0.119 19.434 ( 0.338 0.085 -0.463) 0.580 19.498 ( 0.432 0.027 0.197) 0.476 41.875 ( -0.234 0.184 -0.160) 0.338 41.890 ( 0.028 0.446 0.203) 0.491 41.975 ( -0.095 0.255 0.124) 0.299 41.986 ( 0.137 -0.721 -0.266) 0.780 42.068 ( -0.254 0.152 0.161) 0.337 42.077 ( 0.268 -0.583 -0.546) 0.843 65.792 ( -5.652 0.313 1.014) 5.751 66.077 ( -10.674 -0.114 -5.067) 11.816 66.152 ( 1.915 5.893 0.058) 6.197 66.445 ( 7.395 1.887 -4.846) 9.040 66.690 ( 18.217 1.421 10.518) 21.084 67.908 ( -50.426 -74.341 -32.970) 95.689 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 11.107 -15.949 1.029) 19.463 0.857 ( 9.642 -11.810 5.054) 16.062 0.888 ( 4.437 -10.219 3.782) 11.765 1.186 ( -1.080 -2.283 -1.722) 3.057 1.450 ( 1.278 0.244 1.594) 2.058 1.578 ( 12.437 -2.801 8.841) 15.514 1.732 ( 6.905 -6.034 4.379) 10.162 1.888 ( -4.029 2.559 -1.520) 5.009 2.314 ( 0.212 -0.691 -3.841) 3.908 2.393 ( -0.002 -1.732 1.126) 2.066 2.762 ( -6.364 -0.633 -3.067) 7.093 2.925 ( -2.827 9.310 -2.038) 9.941 2.974 ( 1.198 -2.724 -1.188) 3.204 3.093 ( -0.486 -3.554 -6.370) 7.311 3.330 ( 3.224 3.759 2.019) 5.348 3.425 ( 0.637 -2.850 -2.289) 3.710 3.572 ( 3.573 -0.492 -4.523) 5.785 3.639 ( -2.253 2.929 0.541) 3.735 3.750 ( 3.656 -0.660 -3.238) 4.928 3.865 ( 5.329 -4.009 6.380) 9.229 4.055 ( 3.344 2.115 7.667) 8.627 4.168 ( -1.043 -3.319 2.185) 4.109 4.443 ( -3.818 -0.953 -1.010) 4.063 4.496 ( 2.725 2.270 2.805) 4.522 4.726 ( -1.523 -2.855 0.292) 3.249 4.759 ( -0.836 -2.545 2.391) 3.591 4.861 ( -1.623 2.771 5.105) 6.031 5.011 ( 0.051 -1.374 -4.151) 4.373 5.199 ( 1.946 4.839 -6.049) 7.987 5.348 ( -1.352 0.787 -0.842) 1.776 5.493 ( -1.103 -4.640 -3.662) 6.013 5.685 ( -3.548 5.954 3.626) 7.822 5.826 ( 0.616 3.212 1.513) 3.604 5.882 ( -2.987 1.103 -1.463) 3.505 5.936 ( 2.086 -1.441 1.951) 3.199 6.027 ( -4.268 -1.273 0.892) 4.542 6.213 ( -2.545 0.077 -1.257) 2.839 6.382 ( -4.469 -10.541 -13.282) 17.536 6.864 ( -0.915 1.461 -2.959) 3.424 7.056 ( 1.710 -4.031 -0.123) 4.380 7.489 ( 3.072 6.484 11.548) 13.595 7.775 ( -3.831 1.283 -3.425) 5.297 18.564 ( -0.365 -0.127 -0.125) 0.406 18.628 ( -0.064 0.009 -0.169) 0.181 18.651 ( 0.243 0.983 1.084) 1.484 18.659 ( 0.394 0.085 -0.404) 0.571 18.688 ( 1.069 -0.162 0.649) 1.261 18.762 ( -0.411 0.136 -0.001) 0.433 18.917 ( -0.051 0.156 -0.291) 0.334 18.969 ( 0.386 1.770 0.490) 1.877 19.240 ( -0.919 -0.037 -0.421) 1.012 19.286 ( -0.086 -0.007 0.141) 0.165 19.434 ( 0.174 0.057 -0.263) 0.321 19.506 ( 0.544 0.058 0.247) 0.601 41.864 ( -0.339 0.615 -0.177) 0.725 41.887 ( -0.059 0.204 0.205) 0.295 41.971 ( -0.255 0.107 0.138) 0.309 41.997 ( 0.602 -0.617 -0.492) 0.992 42.062 ( -0.652 0.189 0.529) 0.860 42.086 ( 0.533 -0.870 -0.861) 1.335 65.707 ( -6.287 0.431 0.749) 6.346 65.877 ( -8.937 1.270 -4.435) 10.057 66.158 ( 2.070 0.883 0.220) 2.261 66.488 ( 7.223 2.258 -3.973) 8.547 67.003 ( 20.126 5.172 11.176) 23.595 67.839 ( -28.855 -36.533 -17.838) 49.854 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 1.409 2.671 0.517) 3.064 1.060 ( 2.246 -8.763 -1.087) 9.111 1.167 ( 6.520 -11.242 5.522) 14.120 1.231 ( 3.349 -4.083 -2.357) 5.783 1.483 ( 1.209 0.000 2.511) 2.787 1.746 ( -5.982 4.393 -3.644) 8.268 1.860 ( 12.116 -10.212 0.391) 15.851 2.066 ( 12.177 -7.760 15.352) 21.075 2.289 ( -3.632 -0.528 0.275) 3.681 2.415 ( 0.270 1.063 0.025) 1.097 2.644 ( -7.123 -0.623 -2.199) 7.481 2.717 ( -4.380 7.917 -4.815) 10.249 2.924 ( -2.449 6.135 -5.964) 8.900 3.144 ( 0.281 -11.097 -4.457) 11.962 3.348 ( 3.978 5.435 1.791) 6.970 3.442 ( 1.266 -0.068 0.833) 1.517 3.560 ( -1.228 1.625 -2.619) 3.318 3.597 ( 1.267 -0.416 -4.463) 4.658 3.731 ( 1.155 0.623 -1.279) 1.832 3.963 ( -3.003 3.667 2.243) 5.244 4.139 ( 4.718 -2.723 8.113) 9.772 4.262 ( 1.169 -1.022 2.781) 3.186 4.447 ( 1.818 -3.074 0.790) 3.658 4.529 ( 1.003 -1.646 -0.886) 2.121 4.706 ( -4.311 0.025 3.754) 5.716 4.831 ( 1.330 -1.563 1.615) 2.611 4.870 ( 0.579 -3.037 2.261) 3.830 4.980 ( 1.589 1.087 -4.256) 4.671 5.166 ( 2.299 -0.463 -2.186) 3.206 5.287 ( -2.501 2.069 -4.438) 5.498 5.473 ( -2.587 2.435 -1.785) 3.976 5.593 ( -3.695 1.497 1.474) 4.250 5.745 ( -2.747 1.576 -2.122) 3.812 5.907 ( 2.511 0.951 4.497) 5.238 5.974 ( -2.096 -2.523 -0.193) 3.286 6.029 ( 1.893 0.708 3.890) 4.384 6.159 ( -2.528 0.093 -3.219) 4.094 6.334 ( -2.359 -2.716 -6.666) 7.575 6.824 ( -0.132 0.729 -1.618) 1.780 7.139 ( 2.585 -3.891 0.523) 4.701 7.460 ( -2.668 7.191 3.326) 8.360 7.735 ( 0.018 -0.767 0.037) 0.769 18.561 ( -0.213 -0.077 -0.064) 0.236 18.626 ( -0.043 0.011 -0.119) 0.127 18.652 ( 0.102 0.443 0.544) 0.709 18.660 ( 0.232 0.041 -0.226) 0.326 18.711 ( 1.155 -0.201 0.643) 1.337 18.751 ( -0.757 0.209 -0.206) 0.812 18.913 ( -0.003 0.103 -0.216) 0.239 18.957 ( 0.019 0.817 0.097) 0.823 19.227 ( -0.610 -0.036 -0.274) 0.670 19.286 ( -0.054 -0.004 0.100) 0.114 19.433 ( 0.079 0.036 -0.140) 0.164 19.514 ( 0.345 0.046 0.155) 0.381 41.851 ( -0.243 0.533 -0.109) 0.596 41.886 ( -0.104 0.014 0.102) 0.147 41.969 ( -0.202 -0.111 0.158) 0.279 42.007 ( 0.712 -0.073 -0.609) 0.940 42.056 ( -0.671 -0.043 0.604) 0.904 42.096 ( 0.408 -0.597 -0.600) 0.939 65.633 ( -3.862 0.332 0.189) 3.881 65.745 ( -4.330 0.962 -2.088) 4.903 66.177 ( 0.632 -0.484 0.238) 0.831 66.520 ( 4.479 1.697 -2.561) 5.432 67.283 ( 19.948 9.076 10.679) 24.379 67.726 ( -22.281 -22.441 -12.716) 34.084 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 -0.000 0.000) 0.000 1.113 ( 0.000 0.000 0.000) 0.000 1.265 ( 0.000 -0.000 0.000) 0.000 1.357 ( 0.000 -0.000 -0.000) 0.000 1.527 ( 0.000 -0.000 0.000) 0.000 1.600 ( 0.000 -0.000 0.000) 0.000 2.137 ( -0.000 0.000 0.000) 0.000 2.174 ( 0.000 -0.000 -0.000) 0.000 2.306 ( 0.000 -0.000 0.000) 0.000 2.456 ( 0.000 -0.000 0.000) 0.000 2.476 ( -0.000 0.000 -0.000) 0.000 2.706 ( 0.000 -0.000 0.000) 0.000 2.752 ( 0.000 0.000 -0.000) 0.000 3.225 ( 0.000 -0.000 0.000) 0.000 3.326 ( 0.000 -0.000 0.000) 0.000 3.473 ( 0.000 -0.000 0.000) 0.000 3.511 ( 0.000 0.000 -0.000) 0.000 3.587 ( 0.000 -0.000 0.000) 0.000 3.766 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 -0.000 0.000) 0.000 4.245 ( 0.000 -0.000 0.000) 0.000 4.285 ( 0.000 -0.000 0.000) 0.000 4.476 ( 0.000 -0.000 0.000) 0.000 4.536 ( -0.000 -0.000 -0.000) 0.000 4.700 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 -0.000 0.000) 0.000 4.914 ( 0.000 -0.000 -0.000) 0.000 4.978 ( 0.000 -0.000 0.000) 0.000 5.196 ( 0.000 -0.000 -0.000) 0.000 5.213 ( 0.000 -0.000 0.000) 0.000 5.395 ( 0.000 -0.000 0.000) 0.000 5.572 ( 0.000 -0.000 0.000) 0.000 5.710 ( 0.000 -0.000 -0.000) 0.000 5.950 ( -0.000 -0.000 -0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 6.088 ( -0.000 -0.000 -0.000) 0.000 6.097 ( 0.000 -0.000 0.000) 0.000 6.302 ( 0.000 -0.000 0.000) 0.000 6.814 ( 0.000 -0.000 0.000) 0.000 7.200 ( 0.000 -0.000 0.000) 0.000 7.383 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 -0.000 0.000) 0.000 18.559 ( 0.000 -0.000 0.000) 0.000 18.625 ( 0.000 -0.000 0.000) 0.000 18.652 ( 0.000 -0.000 -0.000) 0.000 18.661 ( -0.000 -0.000 0.000) 0.000 18.732 ( -0.000 0.000 -0.000) 0.000 18.734 ( 0.000 -0.000 0.000) 0.000 18.912 ( 0.000 -0.000 0.000) 0.000 18.953 ( 0.000 -0.000 0.000) 0.000 19.222 ( 0.000 -0.000 0.000) 0.000 19.286 ( 0.000 0.000 0.000) 0.000 19.433 ( 0.000 -0.000 0.000) 0.000 19.517 ( 0.000 -0.000 0.000) 0.000 41.845 ( 0.000 -0.000 0.000) 0.000 41.886 ( 0.000 -0.000 0.000) 0.000 41.969 ( 0.000 -0.000 0.000) 0.000 42.009 ( 0.000 -0.000 0.000) 0.000 42.054 ( 0.000 -0.000 0.000) 0.000 42.101 ( 0.000 -0.000 -0.000) 0.000 65.604 ( 0.000 -0.000 0.000) 0.000 65.701 ( 0.000 -0.000 0.000) 0.000 66.186 ( -0.000 -0.000 0.000) 0.000 66.530 ( 0.000 -0.000 0.000) 0.000 67.451 ( 0.000 -0.000 0.000) 0.000 67.616 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 19.484 0.000 -5.493) 20.243 0.590 ( 14.467 0.000 11.443) 18.445 0.888 ( 17.223 0.000 10.776) 20.317 1.158 ( -3.140 -0.000 -2.264) 3.871 1.456 ( 0.622 0.000 1.206) 1.357 1.589 ( 5.701 0.000 -4.457) 7.236 1.665 ( 8.627 0.000 12.410) 15.114 1.921 ( -3.626 -0.000 -1.044) 3.773 2.300 ( 0.439 0.000 -3.220) 3.250 2.366 ( -0.017 -0.000 0.333) 0.333 2.762 ( -2.653 -0.000 -6.184) 6.729 2.851 ( -3.166 -0.000 0.065) 3.167 3.082 ( -1.044 -0.000 -1.718) 2.010 3.123 ( 2.631 0.000 0.260) 2.644 3.368 ( 3.733 0.000 -0.221) 3.739 3.473 ( -0.070 -0.000 -6.649) 6.649 3.497 ( 2.799 0.000 2.987) 4.094 3.686 ( 0.193 0.000 -0.100) 0.217 3.757 ( 6.229 0.000 -6.633) 9.099 3.792 ( 2.349 0.000 -3.138) 3.920 4.064 ( 1.174 0.000 11.594) 11.653 4.124 ( -6.571 -0.000 -0.738) 6.612 4.459 ( 3.687 0.000 -0.596) 3.735 4.537 ( 0.272 0.000 2.286) 2.303 4.658 ( -7.331 -0.000 7.179) 10.261 4.724 ( 2.341 0.000 -1.071) 2.574 4.914 ( -3.409 -0.000 -1.976) 3.940 4.942 ( -3.610 -0.000 8.293) 9.045 5.235 ( -0.617 -0.000 0.528) 0.812 5.418 ( -2.568 -0.000 -9.705) 10.039 5.494 ( -0.917 -0.000 1.810) 2.029 5.792 ( 1.082 0.000 -8.908) 8.973 5.826 ( 2.609 0.000 0.971) 2.784 5.879 ( -6.186 -0.000 -1.226) 6.307 5.880 ( 0.806 0.000 3.230) 3.329 5.924 ( 1.547 0.000 1.485) 2.144 6.158 ( 5.785 0.000 -6.232) 8.503 6.240 ( -1.895 -0.000 0.339) 1.925 6.925 ( 1.530 0.000 0.384) 1.578 6.957 ( 0.349 0.000 -4.579) 4.592 7.592 ( 1.931 0.000 13.467) 13.605 7.795 ( -6.144 -0.000 -4.361) 7.534 18.562 ( -0.320 -0.000 -0.092) 0.332 18.628 ( -0.068 -0.000 -0.153) 0.168 18.659 ( -0.263 -0.000 0.577) 0.634 18.673 ( 0.010 0.000 -0.398) 0.399 18.685 ( 1.081 0.000 0.671) 1.273 18.764 ( -0.382 -0.000 0.046) 0.385 18.920 ( -0.104 -0.000 -0.300) 0.318 19.013 ( -1.439 -0.000 0.299) 1.469 19.240 ( -0.918 -0.000 -0.417) 1.008 19.290 ( 0.147 0.000 0.230) 0.272 19.435 ( 0.279 0.000 -0.523) 0.593 19.507 ( 0.540 0.000 0.257) 0.598 41.872 ( -0.206 -0.000 -0.261) 0.332 41.892 ( -0.040 -0.000 0.062) 0.074 41.975 ( -0.088 -0.000 -0.405) 0.414 41.983 ( 0.294 0.000 0.351) 0.458 42.065 ( -0.228 -0.000 -0.122) 0.258 42.077 ( 0.037 0.000 0.043) 0.056 65.712 ( -6.833 -0.000 1.257) 6.948 65.883 ( -9.049 -0.000 -4.875) 10.278 66.293 ( -0.618 -0.000 -0.737) 0.962 66.544 ( 10.619 0.000 -11.548) 15.688 66.783 ( 0.339 0.000 0.253) 0.423 67.149 ( 16.023 0.000 10.060) 18.919 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 12.267 -13.029 -2.022) 18.009 0.914 ( 11.986 -6.428 10.812) 17.375 1.066 ( 4.135 4.277 1.728) 6.195 1.152 ( 4.193 -2.610 0.065) 4.939 1.478 ( 1.116 -0.065 1.517) 1.885 1.679 ( 9.937 -3.853 -4.059) 11.404 1.834 ( -5.262 2.272 -1.488) 5.922 1.960 ( 14.738 -1.484 17.115) 22.635 2.289 ( 0.045 0.223 -1.470) 1.488 2.378 ( -0.354 -2.059 1.146) 2.383 2.646 ( -4.868 1.397 -7.694) 9.211 2.842 ( -4.643 -7.027 -0.400) 8.432 3.016 ( -1.465 6.450 -5.754) 8.767 3.076 ( 0.401 7.767 -2.117) 8.060 3.401 ( 0.332 -1.418 -3.858) 4.124 3.409 ( 2.948 -1.719 -1.336) 3.664 3.553 ( 1.246 -0.710 -1.795) 2.298 3.648 ( -0.678 4.263 -0.863) 4.402 3.803 ( 6.681 3.053 -5.144) 8.967 3.927 ( 6.920 -7.279 3.301) 10.572 4.052 ( -5.325 -3.807 2.313) 6.943 4.197 ( 4.520 -2.191 7.052) 8.658 4.426 ( -3.445 5.880 0.617) 6.843 4.539 ( 0.571 -0.011 -1.055) 1.200 4.636 ( -5.823 -5.282 2.643) 8.294 4.770 ( 5.025 -0.888 -1.483) 5.314 4.916 ( 1.033 -2.376 2.978) 3.947 4.942 ( -4.263 0.287 2.933) 5.183 5.223 ( 0.477 3.427 -1.205) 3.664 5.353 ( -0.848 -2.119 -3.685) 4.335 5.443 ( -0.965 3.582 3.332) 4.987 5.685 ( -6.286 3.930 -1.803) 7.630 5.762 ( -3.267 0.138 -7.218) 7.925 5.904 ( 0.999 -3.972 -1.350) 4.313 5.927 ( 0.625 0.008 5.402) 5.438 6.000 ( 1.283 -3.372 4.390) 5.682 6.175 ( 0.777 1.293 -2.361) 2.801 6.229 ( -0.831 -2.871 -2.151) 3.682 6.890 ( 1.905 4.277 -1.982) 5.084 7.016 ( 2.509 -5.608 -1.424) 6.306 7.620 ( -5.726 4.967 -1.280) 7.687 7.720 ( -0.581 -0.881 6.089) 6.179 18.559 ( -0.163 -0.061 -0.030) 0.177 18.626 ( -0.016 0.004 -0.181) 0.182 18.659 ( -0.729 0.051 1.144) 1.358 18.666 ( 0.533 0.386 -1.288) 1.446 18.707 ( 1.170 -0.085 0.670) 1.351 18.755 ( -0.744 0.094 -0.148) 0.764 18.915 ( -0.119 0.049 -0.244) 0.276 18.986 ( -1.080 1.109 0.024) 1.548 19.226 ( -0.573 -0.011 -0.249) 0.625 19.292 ( 0.256 0.359 0.251) 0.507 19.434 ( 0.113 0.029 -0.279) 0.302 19.515 ( 0.313 0.028 0.168) 0.357 41.866 ( -0.117 0.305 -0.157) 0.362 41.890 ( -0.111 0.254 0.121) 0.303 41.971 ( 0.017 0.246 -0.201) 0.318 41.995 ( 0.492 -0.577 0.169) 0.777 42.060 ( -0.461 0.117 0.017) 0.476 42.078 ( 0.074 -0.444 -0.178) 0.484 65.637 ( -4.971 0.049 1.185) 5.110 65.754 ( -5.343 -0.188 -3.004) 6.132 66.210 ( -0.895 5.190 0.001) 5.267 66.574 ( 8.073 2.001 -8.663) 12.009 66.947 ( -11.135 -29.253 -7.327) 32.147 67.495 ( 20.555 2.572 12.300) 24.091 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 0.092 -4.415 -2.555) 5.102 1.117 ( 5.128 0.050 3.862) 6.420 1.194 ( 3.759 -4.335 7.059) 9.097 1.263 ( 9.623 -3.522 -0.897) 10.287 1.515 ( 1.643 -0.481 1.885) 2.546 1.695 ( -5.916 4.633 -1.963) 7.766 1.900 ( 13.712 -8.681 -1.641) 16.312 2.257 ( -4.267 2.018 3.414) 5.825 2.320 ( 12.868 -1.699 12.757) 18.200 2.405 ( -0.723 0.857 -5.652) 5.762 2.523 ( -2.601 -4.780 0.364) 5.454 2.744 ( -5.564 10.629 -3.091) 12.389 2.943 ( -1.079 7.677 -6.153) 9.898 2.965 ( 0.145 -9.808 -3.733) 10.496 3.406 ( -1.371 -4.385 -4.099) 6.156 3.487 ( 2.531 -1.360 3.330) 4.398 3.535 ( -0.290 0.818 -3.878) 3.974 3.587 ( 3.758 5.135 -3.205) 7.125 3.788 ( 4.175 4.688 -2.945) 6.933 3.942 ( -4.657 1.923 -1.533) 5.266 4.208 ( 1.258 -7.813 6.495) 10.238 4.266 ( -1.142 2.583 2.767) 3.954 4.362 ( -1.416 -4.453 -2.188) 5.160 4.546 ( 3.022 0.603 -3.149) 4.406 4.668 ( -2.032 -3.954 4.792) 6.537 4.851 ( 2.123 -2.803 1.617) 3.870 4.880 ( -1.477 1.402 1.244) 2.387 5.010 ( 3.395 -2.073 2.781) 4.854 5.211 ( 2.906 2.674 1.893) 4.379 5.292 ( -0.237 5.303 -1.808) 5.607 5.458 ( -3.170 0.992 2.685) 4.272 5.539 ( -5.352 0.611 0.870) 5.456 5.683 ( -1.008 -1.195 -5.944) 6.146 5.928 ( -1.127 -1.115 -0.595) 1.693 5.980 ( 1.952 0.304 3.894) 4.367 6.080 ( 0.493 -1.414 2.061) 2.548 6.141 ( 0.595 2.570 0.882) 2.782 6.233 ( -1.553 -3.875 -2.106) 4.676 6.859 ( 2.166 3.514 -0.815) 4.208 7.113 ( 2.882 -5.478 -1.252) 6.316 7.444 ( -6.689 3.152 -5.537) 9.238 7.766 ( -0.633 1.317 6.285) 6.452 18.559 ( 0.060 -0.047 0.039) 0.085 18.625 ( 0.053 0.001 -0.128) 0.139 18.654 ( -0.831 0.112 0.547) 1.001 18.662 ( 0.467 0.067 -0.966) 1.075 18.729 ( 1.032 -0.131 0.505) 1.156 18.739 ( -1.033 0.185 -0.431) 1.135 18.912 ( -0.141 0.010 -0.039) 0.147 18.962 ( -0.759 0.641 -0.017) 0.994 19.222 ( 0.067 0.015 0.041) 0.080 19.293 ( 0.329 0.468 0.187) 0.602 19.433 ( -0.003 0.009 -0.098) 0.099 19.517 ( -0.050 0.031 0.010) 0.060 41.859 ( 0.048 0.717 0.134) 0.731 41.887 ( -0.081 0.175 0.116) 0.225 41.968 ( 0.080 0.141 -0.044) 0.168 42.010 ( 0.697 -0.355 -0.311) 0.842 42.051 ( -0.677 0.064 0.350) 0.765 42.087 ( 0.024 -0.951 -0.150) 0.963 65.601 ( -1.586 -0.220 1.133) 1.962 65.695 ( -1.414 -0.545 -1.127) 1.889 66.161 ( -2.861 -0.080 1.510) 3.236 66.572 ( 5.223 2.288 -8.530) 10.260 67.015 ( -15.890 -23.294 -8.880) 29.563 67.827 ( 21.660 6.999 12.532) 25.985 ======================= Grid point 13 (9/114) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -1.029 -1.476 -1.652) 2.443 1.187 ( 2.563 2.562 3.995) 5.394 1.273 ( 1.162 -0.950 1.074) 1.846 1.384 ( -0.030 3.129 1.453) 3.450 1.489 ( -2.754 2.704 -4.638) 6.034 1.654 ( 4.470 -2.310 4.912) 7.031 2.095 ( -11.824 8.294 -3.554) 14.874 2.196 ( 11.543 -8.565 -0.817) 14.397 2.255 ( -1.584 4.592 -4.214) 6.431 2.501 ( -4.542 10.665 -2.996) 11.972 2.542 ( 5.610 -4.031 3.007) 7.533 2.715 ( 2.632 -4.189 9.202) 10.447 2.819 ( 4.856 4.129 -0.696) 6.412 3.097 ( 0.990 -11.615 -1.692) 11.779 3.372 ( -3.755 -0.198 -2.370) 4.445 3.476 ( -1.374 0.600 -3.538) 3.843 3.537 ( 0.795 4.680 -4.294) 6.401 3.569 ( 3.374 0.512 5.317) 6.318 3.793 ( 2.002 2.049 -2.024) 3.508 3.844 ( -0.440 -2.133 -3.882) 4.452 4.242 ( -6.369 1.166 0.393) 6.486 4.247 ( -0.670 1.003 -0.575) 1.336 4.366 ( -3.425 -5.070 -1.957) 6.424 4.558 ( 4.923 -0.588 -4.575) 6.746 4.724 ( -0.882 0.947 5.842) 5.984 4.876 ( 1.553 0.395 -3.031) 3.428 4.930 ( 0.289 -1.967 4.768) 5.166 5.062 ( 0.461 6.064 5.845) 8.436 5.208 ( -2.470 3.511 1.867) 4.681 5.271 ( 3.114 0.720 3.124) 4.469 5.373 ( 0.636 -1.139 -1.941) 2.338 5.568 ( -0.803 -1.967 4.814) 5.262 5.677 ( 1.681 -3.376 -3.787) 5.345 5.887 ( -3.699 -0.768 -3.417) 5.094 6.029 ( 1.870 1.486 1.993) 3.111 6.045 ( -1.442 2.299 -0.909) 2.862 6.168 ( 1.960 0.666 2.067) 2.926 6.295 ( 2.305 -5.038 4.178) 6.939 6.853 ( 2.345 2.591 0.853) 3.597 7.181 ( -0.447 -1.555 -1.518) 2.219 7.314 ( -2.427 -3.147 -6.792) 7.869 7.768 ( -1.610 1.906 4.004) 4.718 18.562 ( 0.268 0.014 0.098) 0.286 18.626 ( 0.088 -0.009 0.013) 0.089 18.644 ( -0.635 -0.148 -0.337) 0.734 18.660 ( 0.038 -0.016 -0.336) 0.339 18.716 ( -1.159 0.232 -0.611) 1.331 18.746 ( 0.768 -0.174 0.250) 0.827 18.911 ( -0.140 -0.083 0.178) 0.241 18.949 ( -0.505 0.059 0.010) 0.508 19.228 ( 0.658 0.057 0.303) 0.727 19.293 ( 0.370 0.491 0.085) 0.620 19.433 ( -0.074 -0.027 0.045) 0.090 19.513 ( -0.388 -0.002 -0.144) 0.414 41.854 ( 0.258 0.680 0.400) 0.830 41.886 ( 0.051 0.008 0.025) 0.057 41.969 ( 0.191 -0.055 -0.062) 0.209 42.011 ( -0.008 0.455 -0.197) 0.496 42.052 ( 0.079 -0.528 -0.008) 0.534 42.096 ( -0.342 -0.666 0.341) 0.823 65.620 ( 2.242 -0.712 1.065) 2.582 65.713 ( 2.638 -1.518 0.721) 3.128 66.146 ( -4.332 -2.589 2.495) 5.630 66.530 ( 1.734 2.099 -7.005) 7.516 66.954 ( -17.604 -16.431 -8.979) 25.700 68.119 ( 21.773 10.246 12.383) 27.063 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -2.695 0.173 -2.477) 3.665 1.179 ( -3.325 11.399 1.973) 12.037 1.219 ( -0.827 7.252 0.322) 7.306 1.275 ( -0.032 3.197 0.822) 3.301 1.443 ( -1.148 -0.206 -1.964) 2.284 1.729 ( -10.581 7.736 -10.206) 16.613 1.814 ( 2.239 -1.882 3.180) 4.321 2.041 ( -4.776 17.397 -3.237) 18.329 2.350 ( 1.603 2.250 1.460) 3.125 2.401 ( 1.744 -1.763 -0.606) 2.553 2.689 ( 3.001 -6.423 2.753) 7.605 2.789 ( 7.192 -0.304 0.968) 7.263 2.971 ( 4.089 -2.380 7.223) 8.635 3.200 ( -1.075 -4.448 0.125) 4.578 3.281 ( -3.168 4.600 -0.284) 5.593 3.445 ( 0.874 1.051 0.419) 1.430 3.477 ( -3.676 -5.631 -2.630) 7.221 3.654 ( 2.891 -0.216 3.173) 4.298 3.757 ( 1.899 3.137 -1.081) 3.823 3.893 ( 0.896 -6.447 -6.715) 9.351 4.066 ( -6.557 6.152 -5.060) 10.317 4.206 ( -3.688 0.745 -1.093) 3.918 4.377 ( -1.194 -4.133 -1.692) 4.622 4.571 ( 3.146 3.533 -4.381) 6.447 4.730 ( 1.067 0.761 2.628) 2.936 4.860 ( 2.546 2.568 -2.020) 4.143 4.931 ( -6.460 9.812 4.787) 12.685 4.999 ( -0.526 -1.002 7.105) 7.194 5.182 ( -0.978 1.425 3.674) 4.060 5.325 ( 2.174 -0.606 0.288) 2.275 5.477 ( 4.957 -6.847 -0.987) 8.510 5.599 ( -0.464 0.077 1.355) 1.434 5.736 ( 0.460 -3.709 -2.065) 4.270 5.833 ( -0.363 -2.611 -1.678) 3.125 5.958 ( -3.969 1.085 -1.433) 4.357 6.072 ( 3.603 2.884 2.339) 5.174 6.201 ( 1.251 -0.753 0.649) 1.598 6.467 ( 6.916 -2.841 9.587) 12.158 6.876 ( 3.211 2.038 2.632) 4.625 7.115 ( -3.450 0.982 -3.341) 4.902 7.322 ( -1.688 -6.894 -7.956) 10.662 7.761 ( -0.200 0.507 3.065) 3.113 18.567 ( 0.394 0.079 0.142) 0.426 18.628 ( -0.052 -0.034 0.286) 0.293 18.635 ( -0.496 -0.375 -0.859) 1.061 18.658 ( -0.134 -0.061 -0.111) 0.185 18.693 ( -1.058 0.244 -0.622) 1.251 18.758 ( 0.431 -0.184 0.051) 0.472 18.913 ( -0.061 -0.185 0.266) 0.330 18.945 ( -0.426 -0.378 -0.051) 0.572 19.242 ( 0.919 0.070 0.423) 1.014 19.292 ( 0.367 0.465 0.007) 0.592 19.432 ( -0.113 -0.052 0.131) 0.181 19.505 ( -0.565 -0.040 -0.234) 0.613 41.857 ( 0.435 0.226 0.492) 0.694 41.887 ( 0.052 0.041 -0.161) 0.174 41.972 ( 0.364 0.049 -0.245) 0.441 42.002 ( -0.697 0.203 0.405) 0.831 42.061 ( 0.857 -0.246 -0.687) 1.126 42.098 ( -0.732 -0.104 0.927) 1.186 65.689 ( 4.985 -1.032 0.357) 5.104 65.822 ( 7.181 -2.905 3.054) 8.327 66.137 ( -4.671 -2.644 2.525) 5.932 66.465 ( -1.751 1.030 -4.071) 4.550 66.801 ( -17.927 -10.637 -9.016) 22.712 68.382 ( 22.068 11.850 12.771) 28.116 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -6.943 7.715 -5.811) 11.895 0.902 ( -5.158 18.987 -0.188) 19.676 1.134 ( 0.764 17.894 1.159) 17.948 1.239 ( 0.905 2.002 0.757) 2.324 1.390 ( -7.794 7.034 -8.056) 13.233 1.421 ( -2.347 -0.574 -1.186) 2.691 1.761 ( -3.050 12.730 -1.399) 13.165 1.911 ( 2.059 -2.609 1.517) 3.654 2.356 ( 0.290 1.464 3.012) 3.362 2.407 ( -0.019 1.754 -0.602) 1.854 2.831 ( 1.164 -7.715 2.351) 8.149 2.887 ( 4.623 0.292 -0.500) 4.659 3.031 ( 2.047 4.802 -0.511) 5.245 3.182 ( -3.479 2.682 8.361) 9.445 3.241 ( -0.522 -3.316 -2.753) 4.342 3.464 ( -0.760 -0.946 0.568) 1.340 3.519 ( 0.409 -3.543 2.289) 4.238 3.668 ( 1.603 2.618 -2.946) 4.255 3.747 ( -0.338 0.909 -0.275) 1.008 3.820 ( -4.055 6.754 -3.999) 8.835 3.924 ( -3.422 -0.250 -4.794) 5.896 4.162 ( -0.595 -2.651 -0.421) 2.749 4.384 ( -1.922 -3.339 -2.717) 4.714 4.559 ( 5.966 3.669 -0.442) 7.018 4.745 ( -3.895 1.311 0.325) 4.123 4.787 ( -0.647 4.825 3.187) 5.819 4.862 ( 2.423 0.642 -2.071) 3.251 5.047 ( 0.143 0.763 3.356) 3.445 5.166 ( -3.591 0.274 3.117) 4.763 5.395 ( 4.918 -2.245 1.784) 5.693 5.553 ( -1.698 1.877 0.521) 2.584 5.613 ( 2.060 -5.738 -4.028) 7.307 5.724 ( -2.653 -4.220 -1.696) 5.265 5.888 ( -1.000 0.053 -3.656) 3.790 5.924 ( 1.543 -2.739 3.210) 4.493 6.106 ( 2.679 1.452 2.629) 4.025 6.230 ( 0.854 -1.172 -0.052) 1.451 6.694 ( 10.195 0.148 13.825) 17.178 6.930 ( 3.813 1.864 3.764) 5.673 7.044 ( -2.220 -0.695 -3.240) 3.989 7.254 ( -6.757 -4.026 -11.403) 13.852 7.811 ( 1.632 -2.715 2.174) 3.842 18.572 ( 0.358 0.103 0.150) 0.402 18.624 ( -0.884 -0.450 -0.347) 1.051 18.631 ( 0.245 0.001 -0.289) 0.378 18.656 ( -0.123 -0.096 -0.030) 0.159 18.673 ( -0.694 0.236 -0.410) 0.840 18.764 ( 0.164 -0.160 -0.026) 0.230 18.917 ( 0.028 -0.243 0.188) 0.309 18.943 ( -0.553 -0.457 -0.248) 0.759 19.256 ( 0.684 0.045 0.317) 0.756 19.292 ( 0.267 0.393 -0.011) 0.476 19.433 ( -0.112 -0.051 0.131) 0.180 19.497 ( -0.441 -0.063 -0.192) 0.485 41.867 ( 0.464 -0.186 0.413) 0.648 41.883 ( -0.158 0.004 -0.342) 0.376 41.973 ( 0.331 0.158 -0.244) 0.441 41.995 ( -0.653 -0.029 0.449) 0.793 42.069 ( 0.965 0.079 -0.781) 1.244 42.094 ( -0.733 0.398 1.102) 1.382 65.775 ( 5.088 -1.049 -0.466) 5.216 66.028 ( 11.227 -4.093 5.718) 13.247 66.120 ( -2.803 -0.874 1.168) 3.160 66.401 ( -4.322 -0.922 -0.786) 4.488 66.590 ( -16.381 -5.746 -8.779) 19.453 68.652 ( 21.379 9.365 12.769) 26.605 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -0.000 16.596 -0.000) 16.596 0.601 ( -0.000 22.794 -0.000) 22.794 0.825 ( -0.000 30.701 -0.000) 30.701 1.212 ( -0.000 4.260 -0.000) 4.260 1.245 ( -0.000 1.068 -0.000) 1.068 1.421 ( 0.000 -1.311 0.000) 1.311 1.644 ( -0.000 3.585 -0.000) 3.585 1.956 ( 0.000 -1.630 0.000) 1.630 2.358 ( -0.000 0.816 -0.000) 0.816 2.373 ( -0.000 2.383 -0.000) 2.383 2.888 ( -0.000 2.333 -0.000) 2.333 2.944 ( 0.000 -7.081 0.000) 7.081 2.960 ( -0.000 5.887 -0.000) 5.887 3.175 ( -0.000 2.587 -0.000) 2.587 3.269 ( 0.000 -3.159 0.000) 3.159 3.450 ( 0.000 -0.156 0.000) 0.156 3.495 ( -0.000 9.576 -0.000) 9.576 3.676 ( -0.000 4.076 -0.000) 4.076 3.701 ( 0.000 -1.498 0.000) 1.498 3.728 ( 0.000 -1.092 0.000) 1.092 3.849 ( -0.000 2.828 -0.000) 2.828 4.218 ( 0.000 -4.130 0.000) 4.130 4.403 ( 0.000 -4.564 0.000) 4.564 4.596 ( -0.000 2.080 -0.000) 2.080 4.670 ( -0.000 1.003 -0.000) 1.003 4.763 ( -0.000 2.312 -0.000) 2.312 4.881 ( 0.000 -1.172 0.000) 1.172 5.036 ( -0.000 2.348 -0.000) 2.348 5.158 ( 0.000 -2.483 0.000) 2.483 5.457 ( -0.000 5.664 -0.000) 5.664 5.525 ( 0.000 -3.968 0.000) 3.968 5.670 ( 0.000 -4.831 0.000) 4.831 5.764 ( 0.000 -5.088 0.000) 5.088 5.857 ( -0.000 0.641 -0.000) 0.641 5.966 ( 0.000 -0.386 0.000) 0.386 6.139 ( 0.000 -0.786 0.000) 0.786 6.250 ( 0.000 -0.986 0.000) 0.986 6.898 ( -0.000 0.260 -0.000) 0.260 6.999 ( 0.000 -4.034 0.000) 4.034 7.057 ( -0.000 0.728 -0.000) 0.728 7.068 ( -0.000 0.729 -0.000) 0.729 7.875 ( 0.000 -3.413 0.000) 3.413 18.575 ( -0.000 0.047 -0.000) 0.047 18.617 ( 0.000 -0.097 0.000) 0.097 18.631 ( -0.000 0.020 -0.000) 0.020 18.656 ( 0.000 -0.089 0.000) 0.089 18.664 ( -0.000 0.191 -0.000) 0.191 18.767 ( 0.000 -0.125 0.000) 0.125 18.922 ( 0.000 -0.219 0.000) 0.219 18.938 ( 0.000 -0.071 0.000) 0.071 19.262 ( -0.000 0.020 -0.000) 0.020 19.290 ( -0.000 0.269 -0.000) 0.269 19.433 ( 0.000 -0.030 0.000) 0.030 19.493 ( 0.000 -0.065 0.000) 0.065 41.878 ( 0.000 -0.025 0.000) 0.025 41.879 ( 0.000 -0.580 0.000) 0.580 41.974 ( 0.000 -0.029 0.000) 0.029 41.991 ( -0.000 0.258 -0.000) 0.258 42.071 ( -0.000 0.174 -0.000) 0.174 42.087 ( -0.000 0.695 -0.000) 0.695 65.824 ( 0.000 -0.723 0.000) 0.723 66.098 ( -0.000 1.059 -0.000) 1.059 66.300 ( 0.000 -2.760 0.000) 2.760 66.335 ( 0.000 -6.061 0.000) 6.061 66.422 ( -0.000 0.093 -0.000) 0.093 68.870 ( -0.000 0.016 -0.000) 0.016 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( 7.272 0.000 0.327) 7.280 1.114 ( 4.215 0.000 -0.517) 4.246 1.126 ( 10.080 0.000 10.721) 14.715 1.239 ( 5.859 0.000 0.799) 5.913 1.509 ( 1.838 0.000 1.628) 2.455 1.759 ( -5.721 -0.000 -1.260) 5.858 1.792 ( 15.083 0.000 -3.209) 15.420 2.296 ( 13.911 0.000 14.187) 19.870 2.298 ( 0.177 0.000 1.319) 1.331 2.358 ( -0.617 -0.000 3.787) 3.837 2.529 ( -2.529 -0.000 -12.753) 13.001 2.707 ( -6.748 -0.000 0.177) 6.750 3.004 ( -1.334 -0.000 -3.109) 3.383 3.113 ( -1.146 -0.000 -7.573) 7.659 3.275 ( -3.488 -0.000 -6.669) 7.526 3.431 ( 3.162 0.000 0.052) 3.162 3.539 ( -1.333 -0.000 -2.527) 2.857 3.704 ( 1.102 0.000 1.276) 1.685 3.908 ( 0.952 0.000 -3.371) 3.502 3.954 ( 8.383 0.000 -1.406) 8.500 3.992 ( -0.725 -0.000 6.432) 6.473 4.287 ( 3.199 0.000 3.890) 5.037 4.446 ( -3.943 -0.000 4.395) 5.905 4.493 ( -4.620 -0.000 -1.819) 4.966 4.571 ( 5.362 0.000 -3.121) 6.204 4.816 ( 3.357 0.000 0.272) 3.368 4.906 ( -6.827 -0.000 1.808) 7.063 4.950 ( 6.130 0.000 0.453) 6.146 5.278 ( 0.652 0.000 0.595) 0.882 5.317 ( 1.550 0.000 4.760) 5.006 5.461 ( -5.586 -0.000 6.766) 8.774 5.610 ( -2.829 -0.000 -5.883) 6.527 5.680 ( -1.678 -0.000 -7.288) 7.479 5.888 ( 2.405 0.000 -2.737) 3.644 5.974 ( -0.810 -0.000 7.592) 7.635 6.042 ( 2.066 0.000 4.595) 5.038 6.175 ( -2.405 -0.000 -0.122) 2.408 6.195 ( -0.109 -0.000 -0.574) 0.584 6.961 ( 0.865 0.000 -0.278) 0.909 6.986 ( 5.198 0.000 -2.990) 5.997 7.488 ( -8.557 -0.000 -7.311) 11.255 7.788 ( -1.048 -0.000 8.711) 8.774 18.558 ( 0.091 0.000 0.058) 0.108 18.625 ( 0.076 0.000 -0.180) 0.195 18.655 ( -1.153 -0.000 0.909) 1.468 18.663 ( 0.571 0.000 -1.544) 1.646 18.727 ( 1.048 0.000 0.519) 1.169 18.741 ( -1.047 -0.000 -0.407) 1.123 18.912 ( -0.203 -0.000 -0.055) 0.210 18.973 ( -1.348 -0.000 -0.133) 1.355 19.222 ( 0.096 0.000 0.058) 0.112 19.301 ( 0.351 0.000 0.224) 0.416 19.433 ( 0.006 0.000 -0.166) 0.166 19.518 ( -0.072 -0.000 0.022) 0.075 41.867 ( 0.161 0.000 -0.054) 0.170 41.891 ( -0.114 -0.000 0.084) 0.142 41.975 ( 0.554 0.000 -0.230) 0.600 41.999 ( 0.301 0.000 0.561) 0.637 42.054 ( -0.454 -0.000 -0.146) 0.477 42.072 ( -0.427 -0.000 -0.053) 0.430 65.597 ( -2.339 -0.000 1.720) 2.903 65.684 ( -1.823 -0.000 -1.630) 2.446 66.212 ( -4.256 -0.000 -0.377) 4.273 66.598 ( -8.354 -0.000 -2.968) 8.865 66.620 ( 7.397 0.000 -12.026) 14.119 67.912 ( 21.407 0.000 12.765) 24.923 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 1.548 -1.192 -0.760) 2.096 1.190 ( 3.850 -1.243 0.822) 4.128 1.263 ( 0.222 0.485 5.723) 5.747 1.359 ( 8.059 -1.585 1.213) 8.302 1.561 ( 3.284 0.732 1.970) 3.899 1.661 ( -4.294 2.138 0.267) 4.804 2.031 ( 16.040 -3.485 -0.308) 16.417 2.264 ( -4.698 5.264 3.088) 7.702 2.359 ( 0.947 3.810 -9.523) 10.300 2.402 ( 0.732 -4.693 -0.731) 4.806 2.590 ( 4.143 -1.824 8.427) 9.566 2.687 ( 0.076 -6.034 1.193) 6.151 2.936 ( 0.406 4.919 -1.030) 5.042 2.969 ( -0.485 5.513 -6.944) 8.880 3.245 ( -2.209 -6.189 -5.245) 8.408 3.444 ( -3.857 -1.366 -4.402) 6.010 3.534 ( 1.697 -2.735 2.449) 4.045 3.700 ( 1.419 2.480 -0.424) 2.889 3.851 ( -0.531 1.018 -4.547) 4.689 3.941 ( 1.430 9.813 -1.354) 10.009 4.125 ( -1.643 -6.560 4.446) 8.093 4.320 ( -1.407 0.397 1.710) 2.250 4.349 ( 1.485 6.839 0.434) 7.012 4.585 ( 5.009 -2.796 -0.524) 5.761 4.624 ( 2.122 -4.576 0.863) 5.117 4.836 ( -2.000 -2.473 0.288) 3.194 4.879 ( 1.090 -1.961 1.328) 2.607 5.058 ( 6.101 -1.468 1.331) 6.415 5.267 ( -1.633 -0.251 -0.655) 1.777 5.368 ( -1.764 5.772 9.491) 11.248 5.456 ( 0.007 0.976 2.111) 2.326 5.532 ( -0.927 2.137 0.603) 2.406 5.613 ( 1.005 -1.512 -6.698) 6.939 5.866 ( -4.668 -0.974 -2.042) 5.187 6.051 ( 2.582 -0.439 6.202) 6.732 6.093 ( -0.161 1.218 2.674) 2.943 6.164 ( -0.950 -2.653 -0.044) 2.819 6.182 ( 0.426 -0.394 1.669) 1.767 6.936 ( 2.178 3.834 -0.445) 4.432 7.078 ( 3.749 -4.786 -2.233) 6.477 7.305 ( -7.844 0.577 -8.020) 11.233 7.812 ( -2.619 1.228 6.164) 6.808 18.562 ( 0.315 -0.010 0.125) 0.339 18.626 ( 0.135 -0.003 -0.082) 0.157 18.643 ( -0.886 -0.011 -0.266) 0.925 18.660 ( 0.125 -0.004 -0.624) 0.637 18.721 ( -1.175 0.107 -0.585) 1.317 18.743 ( 0.777 -0.062 0.268) 0.825 18.910 ( -0.235 -0.031 0.151) 0.281 18.954 ( -0.964 0.190 -0.037) 0.983 19.229 ( 0.694 0.030 0.322) 0.766 19.305 ( 0.393 0.369 0.157) 0.562 19.432 ( -0.068 -0.008 -0.033) 0.076 19.513 ( -0.421 0.014 -0.126) 0.439 41.869 ( 0.362 0.312 0.166) 0.506 41.889 ( -0.129 0.185 0.108) 0.250 41.977 ( 0.590 0.756 0.015) 0.959 42.013 ( 0.623 -0.558 0.145) 0.849 42.044 ( -0.772 0.162 0.043) 0.790 42.071 ( -0.460 -1.017 -0.003) 1.116 65.604 ( 0.912 -0.430 1.987) 2.228 65.679 ( 1.507 -0.938 -0.278) 1.797 66.126 ( -5.332 1.623 1.223) 5.706 66.521 ( -8.737 -8.359 -4.385) 12.863 66.617 ( 2.293 -2.990 -11.564) 12.163 68.272 ( 19.416 2.885 11.368) 22.683 ======================= Grid point 21 (15/114) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( 1.095 0.229 -1.054) 1.537 1.245 ( 0.751 -1.854 0.669) 2.109 1.279 ( -1.112 0.440 2.473) 2.747 1.437 ( 1.423 1.019 1.439) 2.266 1.483 ( -2.789 7.923 -2.165) 8.674 1.718 ( 4.345 -2.743 3.917) 6.461 2.007 ( -8.360 10.403 -9.002) 16.098 2.278 ( 9.564 -2.372 0.357) 9.860 2.312 ( 0.862 3.328 3.366) 4.811 2.504 ( 1.319 -1.430 -2.034) 2.815 2.569 ( -1.278 1.436 0.665) 2.034 2.783 ( 1.470 0.890 3.530) 3.926 2.957 ( 6.332 1.676 3.750) 7.548 2.969 ( 1.904 -10.928 -3.945) 11.773 3.270 ( 0.748 -4.106 -1.061) 4.306 3.368 ( -4.066 -1.988 -2.831) 5.339 3.622 ( 0.588 -3.716 3.138) 4.899 3.673 ( 1.020 5.323 -3.530) 6.469 3.756 ( -4.071 6.419 -5.881) 9.611 3.815 ( 2.173 1.553 -3.712) 4.573 4.139 ( -6.274 -0.301 1.505) 6.459 4.298 ( -0.307 3.080 -0.366) 3.117 4.320 ( 1.812 2.585 2.565) 4.068 4.618 ( 7.134 2.162 -3.076) 8.064 4.758 ( 0.575 -2.655 4.198) 5.000 4.877 ( 2.019 -1.599 -0.588) 2.642 4.924 ( -1.085 -3.907 2.618) 4.826 5.145 ( -1.198 2.137 3.772) 4.498 5.218 ( -4.210 1.774 2.940) 5.433 5.302 ( 0.936 1.312 -1.284) 2.061 5.446 ( 5.377 5.545 -0.693) 7.755 5.570 ( -2.139 -2.562 5.933) 6.807 5.653 ( 5.236 -2.705 -2.296) 6.325 5.774 ( -6.565 -1.689 -2.702) 7.298 6.013 ( -4.631 3.356 0.442) 5.736 6.146 ( 3.814 2.550 3.966) 6.064 6.171 ( -0.742 -1.710 0.526) 1.937 6.319 ( 5.638 -7.665 5.405) 10.943 6.934 ( 2.899 2.408 1.025) 3.905 7.125 ( -4.072 -0.173 -4.345) 5.957 7.171 ( -0.742 -4.747 -6.661) 8.213 7.794 ( -2.673 1.663 3.810) 4.942 18.568 ( 0.429 0.025 0.159) 0.459 18.626 ( -0.505 -0.049 0.327) 0.604 18.630 ( -0.002 -0.075 -0.928) 0.931 18.656 ( -0.129 -0.048 -0.253) 0.288 18.698 ( -1.056 0.190 -0.596) 1.227 18.754 ( 0.446 -0.112 0.077) 0.466 18.909 ( -0.164 -0.117 0.242) 0.315 18.942 ( -0.555 0.032 0.041) 0.557 19.243 ( 0.928 0.067 0.424) 1.022 19.306 ( 0.378 0.537 0.080) 0.661 19.431 ( -0.093 -0.035 0.059) 0.115 19.505 ( -0.582 0.008 -0.213) 0.619 41.871 ( 0.383 0.647 0.436) 0.869 41.887 ( -0.017 0.032 0.036) 0.051 41.977 ( 0.576 0.601 0.030) 0.833 42.016 ( -0.233 0.794 -0.154) 0.842 42.044 ( 0.284 -1.069 -0.104) 1.110 42.080 ( -0.695 -1.259 0.383) 1.488 65.661 ( 3.692 -1.033 1.579) 4.146 65.749 ( 5.157 -2.686 1.295) 5.957 66.062 ( -6.023 -1.798 2.223) 6.667 66.455 ( -9.856 -7.232 -4.283) 12.953 66.571 ( -1.462 -2.510 -9.937) 10.352 68.558 ( 16.213 3.874 9.319) 19.097 ======================= Grid point 22 (16/114) ======================= q-point: (-0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( -0.321 3.098 -1.259) 3.359 1.268 ( 0.208 1.675 1.403) 2.195 1.277 ( -1.237 -2.231 0.293) 2.567 1.301 ( -2.484 12.341 -0.252) 12.591 1.438 ( 0.238 1.864 -0.333) 1.908 1.660 ( -6.396 13.712 -7.294) 16.796 1.840 ( 2.078 -2.681 1.959) 3.917 2.220 ( -0.600 17.005 -0.080) 17.016 2.404 ( 1.701 -1.009 1.749) 2.640 2.410 ( 0.434 2.359 -0.114) 2.401 2.646 ( 0.260 -6.140 0.928) 6.215 2.858 ( 4.352 -3.384 0.176) 5.516 3.055 ( -0.405 -2.711 7.992) 8.449 3.107 ( 4.838 -7.865 -6.220) 11.134 3.304 ( -0.014 4.694 0.141) 4.696 3.375 ( 0.180 -4.123 3.067) 5.142 3.510 ( -0.459 7.860 0.373) 7.882 3.632 ( -2.747 -2.521 -6.429) 7.432 3.737 ( -1.074 -10.001 -4.392) 10.976 3.819 ( 2.208 1.246 0.305) 2.553 4.015 ( -4.839 4.780 -2.117) 7.123 4.237 ( -0.411 7.527 0.977) 7.601 4.341 ( 0.522 0.095 0.606) 0.805 4.661 ( 7.083 3.742 -2.921) 8.527 4.779 ( 0.459 1.789 2.054) 2.762 4.894 ( 1.529 0.877 -1.748) 2.482 4.979 ( -9.898 8.535 5.445) 14.159 5.008 ( 0.427 -4.565 4.373) 6.336 5.204 ( -2.073 1.873 0.778) 2.900 5.364 ( 4.994 -1.701 0.320) 5.286 5.469 ( 4.099 -0.608 -2.393) 4.785 5.584 ( -2.472 -0.909 0.156) 2.638 5.660 ( -3.812 -0.735 -0.739) 3.951 5.806 ( 4.256 -5.559 -0.531) 7.022 5.917 ( -4.492 1.913 0.937) 4.971 6.171 ( 2.053 3.247 2.144) 4.400 6.193 ( -0.103 -1.879 0.341) 1.912 6.574 ( 7.718 -8.924 7.918) 14.209 6.965 ( 0.751 0.195 0.221) 0.807 7.018 ( -1.991 -0.240 -4.020) 4.492 7.170 ( -2.728 -2.980 -5.287) 6.654 7.777 ( -0.864 0.138 1.968) 2.154 18.574 ( 0.343 0.064 0.132) 0.373 18.618 ( -0.563 -0.170 -0.271) 0.648 18.631 ( 0.257 0.013 -0.164) 0.305 18.654 ( -0.160 -0.102 -0.089) 0.209 18.679 ( -0.672 0.249 -0.390) 0.816 18.760 ( 0.176 -0.143 -0.007) 0.227 18.912 ( -0.048 -0.216 0.176) 0.283 18.937 ( -0.280 -0.091 0.023) 0.296 19.257 ( 0.671 0.073 0.308) 0.742 19.304 ( 0.261 0.565 0.024) 0.623 19.431 ( -0.072 -0.053 0.073) 0.115 19.496 ( -0.441 -0.008 -0.176) 0.475 41.872 ( 0.382 0.534 0.561) 0.863 41.886 ( -0.076 0.108 -0.229) 0.264 41.979 ( 0.666 0.369 -0.133) 0.772 41.999 ( -0.746 0.565 0.161) 0.950 42.062 ( 0.879 -0.750 -0.616) 1.309 42.087 ( -0.885 -0.973 0.738) 1.508 65.743 ( 4.333 -1.378 0.414) 4.565 65.912 ( 8.649 -5.077 3.446) 10.605 66.039 ( -4.830 -4.292 1.600) 6.657 66.356 ( -11.800 -6.046 -3.555) 13.727 66.492 ( -1.776 0.520 -6.316) 6.581 68.771 ( 11.040 2.427 6.350) 12.966 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -0.000 8.198 -0.000) 8.198 1.095 ( -0.000 17.039 -0.000) 17.039 1.264 ( -0.000 1.187 -0.000) 1.187 1.278 ( -0.000 3.007 -0.000) 3.007 1.409 ( -0.000 2.018 -0.000) 2.018 1.412 ( -0.000 11.927 -0.000) 11.927 1.899 ( 0.000 -2.862 0.000) 2.862 1.953 ( -0.000 21.695 -0.000) 21.695 2.393 ( -0.000 1.762 -0.000) 1.762 2.424 ( -0.000 0.959 -0.000) 0.959 2.742 ( 0.000 -8.247 0.000) 8.247 2.922 ( 0.000 -1.022 0.000) 1.022 3.132 ( -0.000 2.402 -0.000) 2.402 3.180 ( 0.000 -3.008 0.000) 3.008 3.184 ( -0.000 2.285 -0.000) 2.285 3.436 ( 0.000 -1.609 0.000) 1.609 3.553 ( 0.000 -2.857 0.000) 2.857 3.572 ( 0.000 -3.931 0.000) 3.931 3.807 ( 0.000 -2.470 0.000) 2.470 3.817 ( -0.000 3.022 -0.000) 3.022 3.908 ( -0.000 4.123 -0.000) 4.123 4.146 ( -0.000 4.062 -0.000) 4.062 4.341 ( 0.000 -0.297 0.000) 0.297 4.699 ( -0.000 1.364 -0.000) 1.364 4.702 ( -0.000 7.042 -0.000) 7.042 4.859 ( -0.000 4.225 -0.000) 4.225 4.881 ( -0.000 1.732 -0.000) 1.732 5.075 ( 0.000 -0.972 0.000) 0.972 5.156 ( -0.000 1.591 -0.000) 1.591 5.429 ( 0.000 -1.062 0.000) 1.062 5.511 ( 0.000 -3.780 0.000) 3.780 5.569 ( 0.000 -1.075 0.000) 1.075 5.654 ( 0.000 -3.083 0.000) 3.083 5.868 ( -0.000 0.696 -0.000) 0.696 5.905 ( 0.000 -4.458 0.000) 4.458 6.160 ( -0.000 2.477 -0.000) 2.477 6.216 ( 0.000 -1.756 0.000) 1.756 6.827 ( 0.000 -10.065 0.000) 10.065 6.902 ( -0.000 0.008 -0.000) 0.008 7.074 ( 0.000 -0.618 0.000) 0.618 7.083 ( -0.000 1.288 -0.000) 1.288 7.796 ( 0.000 -2.206 0.000) 2.206 18.577 ( -0.000 0.069 -0.000) 0.069 18.614 ( 0.000 -0.130 0.000) 0.130 18.632 ( -0.000 0.031 -0.000) 0.031 18.654 ( 0.000 -0.129 0.000) 0.129 18.670 ( -0.000 0.273 -0.000) 0.273 18.763 ( 0.000 -0.158 0.000) 0.158 18.915 ( 0.000 -0.275 0.000) 0.275 18.936 ( 0.000 -0.081 0.000) 0.081 19.263 ( -0.000 0.057 -0.000) 0.057 19.299 ( -0.000 0.512 -0.000) 0.512 19.432 ( 0.000 -0.052 0.000) 0.052 19.492 ( 0.000 -0.035 0.000) 0.035 41.876 ( -0.000 0.284 -0.000) 0.284 41.879 ( -0.000 0.144 -0.000) 0.144 41.980 ( -0.000 0.478 -0.000) 0.478 41.990 ( 0.000 -0.073 0.000) 0.073 42.072 ( 0.000 -0.270 0.000) 0.270 42.092 ( 0.000 -0.437 0.000) 0.437 65.798 ( 0.000 -1.378 0.000) 1.378 66.054 ( 0.000 -4.263 0.000) 4.263 66.143 ( 0.000 -8.956 0.000) 8.956 66.253 ( 0.000 -2.321 0.000) 2.321 66.433 ( -0.000 1.671 -0.000) 1.671 68.873 ( -0.000 0.217 -0.000) 0.217 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 2.436 0.000 -0.808) 2.566 1.206 ( -0.564 -0.000 0.176) 0.590 1.289 ( -1.110 -0.000 2.629) 2.854 1.441 ( 3.772 0.000 0.258) 3.781 1.616 ( -3.584 -0.000 0.173) 3.589 1.665 ( 5.586 0.000 4.241) 7.014 2.119 ( 0.874 0.000 -5.473) 5.543 2.337 ( -2.538 -0.000 3.589) 4.396 2.362 ( 1.505 0.000 1.876) 2.405 2.440 ( 16.397 0.000 -3.240) 16.714 2.500 ( -2.448 -0.000 -4.483) 5.108 2.751 ( -0.551 -0.000 4.617) 4.650 2.907 ( -3.581 -0.000 -6.062) 7.041 3.007 ( 3.802 0.000 1.731) 4.177 3.209 ( 3.794 0.000 1.822) 4.209 3.332 ( -4.671 -0.000 -4.120) 6.228 3.523 ( -0.894 -0.000 -1.920) 2.118 3.669 ( -4.120 -0.000 -2.643) 4.895 3.813 ( 0.018 0.000 -2.744) 2.744 4.065 ( 0.530 0.000 -0.567) 0.776 4.097 ( -0.692 -0.000 5.646) 5.688 4.319 ( -1.632 -0.000 1.061) 1.947 4.446 ( 3.034 0.000 -2.342) 3.833 4.589 ( 4.382 0.000 6.480) 7.823 4.703 ( 6.636 0.000 -0.865) 6.693 4.760 ( -0.081 -0.000 -2.549) 2.550 4.903 ( 0.280 0.000 2.096) 2.115 5.138 ( 3.483 0.000 -0.514) 3.521 5.230 ( -0.501 -0.000 0.651) 0.821 5.423 ( -3.695 -0.000 2.791) 4.631 5.482 ( -5.215 -0.000 0.584) 5.247 5.531 ( 3.416 0.000 2.708) 4.359 5.638 ( 8.191 0.000 -1.023) 8.254 5.752 ( -8.155 -0.000 -1.755) 8.342 6.090 ( -3.881 -0.000 -0.320) 3.894 6.137 ( -1.271 -0.000 1.617) 2.057 6.158 ( 4.827 0.000 7.035) 8.532 6.204 ( 1.835 0.000 3.082) 3.586 6.975 ( 0.717 0.000 -0.845) 1.108 7.087 ( 4.214 0.000 -2.140) 4.726 7.137 ( -7.232 -0.000 -7.773) 10.617 7.818 ( -3.370 -0.000 4.195) 5.381 18.568 ( 0.451 0.000 0.169) 0.481 18.626 ( -0.675 -0.000 0.216) 0.709 18.629 ( 0.171 0.000 -0.846) 0.863 18.656 ( -0.128 -0.000 -0.310) 0.335 18.701 ( -1.060 -0.000 -0.586) 1.212 18.753 ( 0.450 0.000 0.082) 0.457 18.908 ( -0.204 -0.000 0.232) 0.309 18.943 ( -0.682 -0.000 0.022) 0.683 19.244 ( 0.933 0.000 0.424) 1.024 19.313 ( 0.312 0.000 0.094) 0.326 19.431 ( -0.084 -0.000 0.021) 0.086 19.505 ( -0.590 -0.000 -0.198) 0.623 41.878 ( 0.479 0.000 0.174) 0.510 41.888 ( -0.157 -0.000 0.068) 0.172 41.998 ( 1.056 0.000 0.034) 1.057 42.014 ( 0.207 0.000 0.312) 0.374 42.038 ( -0.520 -0.000 -0.000) 0.520 42.053 ( -0.794 -0.000 -0.021) 0.794 65.647 ( 3.305 0.000 2.198) 3.969 65.712 ( 3.940 0.000 0.516) 3.974 66.064 ( -6.775 -0.000 1.356) 6.910 66.294 ( -9.639 -0.000 -2.754) 10.025 66.575 ( 3.245 0.000 -10.838) 11.313 68.603 ( 14.502 0.000 8.436) 16.778 ======================= Grid point 29 (19/114) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 2.054 0.785 -0.825) 2.349 1.198 ( -2.112 -2.414 0.040) 3.208 1.287 ( -0.853 0.174 1.107) 1.409 1.471 ( 1.325 0.677 -0.158) 1.496 1.539 ( -1.980 6.194 0.230) 6.507 1.770 ( 3.013 -1.670 2.609) 4.322 1.996 ( -2.777 9.496 -5.943) 11.541 2.328 ( -0.928 -2.498 1.396) 3.009 2.378 ( 0.867 1.286 1.920) 2.468 2.500 ( 3.661 -2.962 -1.084) 4.832 2.612 ( 3.156 5.916 -1.178) 6.808 2.810 ( -0.715 -7.916 -3.650) 8.746 2.823 ( 1.117 -1.899 3.022) 3.739 3.065 ( 3.085 0.731 2.164) 3.839 3.289 ( -0.157 -2.467 -1.129) 2.718 3.319 ( 6.065 -1.046 4.530) 7.642 3.492 ( -4.776 -6.822 -5.237) 9.838 3.580 ( -5.398 -1.343 -4.311) 7.037 3.808 ( 0.854 1.409 -0.035) 1.648 3.941 ( 0.107 15.500 -0.982) 15.532 4.110 ( -2.358 2.371 2.066) 3.930 4.297 ( -0.691 -0.369 -0.788) 1.111 4.449 ( 2.935 5.095 2.650) 6.450 4.726 ( 2.970 -0.294 -0.322) 3.002 4.745 ( 4.612 -3.743 0.848) 6.000 4.857 ( 3.087 -6.174 1.921) 7.165 4.899 ( -1.728 0.835 0.833) 2.092 5.107 ( -4.255 0.500 -1.783) 4.641 5.282 ( 3.301 2.913 2.078) 4.868 5.321 ( -0.954 3.728 -1.098) 4.001 5.474 ( -1.035 -4.416 -1.209) 4.694 5.584 ( -1.185 1.337 2.023) 2.699 5.645 ( -4.863 -2.598 -0.241) 5.519 5.744 ( 7.523 2.636 1.757) 8.163 5.988 ( -5.504 3.306 -0.789) 6.469 6.143 ( -0.549 -1.593 0.465) 1.748 6.240 ( 1.709 1.728 2.424) 3.433 6.334 ( 4.480 -8.170 5.699) 10.923 6.954 ( -2.495 -0.419 -4.196) 4.900 7.021 ( -1.497 -0.069 -1.933) 2.446 7.123 ( 1.562 -0.739 -1.892) 2.563 7.796 ( -2.195 0.783 2.058) 3.109 18.575 ( 0.356 0.021 0.134) 0.381 18.615 ( -0.505 -0.050 -0.267) 0.574 18.631 ( 0.298 0.006 -0.167) 0.342 18.652 ( -0.193 -0.045 -0.122) 0.232 18.684 ( -0.668 0.106 -0.380) 0.776 18.757 ( 0.183 -0.054 -0.001) 0.191 18.908 ( -0.098 -0.084 0.166) 0.210 18.937 ( -0.315 -0.006 0.039) 0.317 19.259 ( 0.665 0.038 0.301) 0.731 19.316 ( 0.192 0.294 0.040) 0.354 19.430 ( -0.057 -0.024 0.036) 0.072 19.496 ( -0.440 0.013 -0.159) 0.468 41.884 ( 0.267 0.274 0.214) 0.438 41.887 ( -0.033 0.017 0.004) 0.037 41.998 ( 0.735 1.198 0.109) 1.410 42.020 ( -0.752 1.017 0.002) 1.265 42.034 ( 0.808 -1.347 -0.198) 1.583 42.055 ( -0.829 -1.394 0.264) 1.643 65.720 ( 4.254 -0.313 1.319) 4.465 65.802 ( 5.700 -3.072 1.279) 6.600 65.980 ( -5.813 -0.263 1.170) 5.935 66.186 ( -9.055 -5.449 -2.309) 10.817 66.530 ( 1.402 1.125 -6.455) 6.700 68.807 ( 8.176 0.669 4.700) 9.455 ======================= Grid point 30 (20/114) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -0.000 2.553 -0.000) 2.553 1.222 ( 0.000 -3.938 0.000) 3.938 1.283 ( -0.000 0.308 -0.000) 0.308 1.423 ( -0.000 10.091 -0.000) 10.091 1.464 ( -0.000 1.596 -0.000) 1.596 1.772 ( -0.000 13.885 -0.000) 13.885 1.835 ( 0.000 -0.671 0.000) 0.671 2.368 ( -0.000 5.063 -0.000) 5.063 2.382 ( 0.000 -4.445 0.000) 4.445 2.487 ( -0.000 10.053 -0.000) 10.053 2.583 ( 0.000 -4.682 0.000) 4.682 2.819 ( 0.000 -5.283 0.000) 5.283 2.972 ( 0.000 -8.415 0.000) 8.415 3.106 ( 0.000 -1.523 0.000) 1.523 3.329 ( 0.000 -1.342 0.000) 1.342 3.432 ( -0.000 0.050 -0.000) 0.050 3.480 ( 0.000 -3.641 0.000) 3.641 3.563 ( 0.000 -10.944 0.000) 10.944 3.676 ( -0.000 16.922 -0.000) 16.922 3.847 ( -0.000 0.904 -0.000) 0.904 4.039 ( -0.000 5.497 -0.000) 5.497 4.296 ( -0.000 0.741 -0.000) 0.741 4.406 ( -0.000 7.238 -0.000) 7.238 4.735 ( -0.000 1.308 -0.000) 1.308 4.845 ( -0.000 3.286 -0.000) 3.286 4.861 ( 0.000 -4.501 0.000) 4.501 4.969 ( 0.000 -6.114 0.000) 6.114 5.009 ( -0.000 6.847 -0.000) 6.847 5.214 ( -0.000 3.678 -0.000) 3.678 5.384 ( 0.000 -4.280 0.000) 4.280 5.505 ( -0.000 4.054 -0.000) 4.054 5.524 ( 0.000 -3.726 0.000) 3.726 5.649 ( -0.000 1.293 -0.000) 1.293 5.796 ( 0.000 -1.361 0.000) 1.361 5.901 ( -0.000 1.841 -0.000) 1.841 6.165 ( 0.000 -2.224 0.000) 2.224 6.233 ( -0.000 2.809 -0.000) 2.809 6.535 ( 0.000 -12.470 0.000) 12.470 6.900 ( 0.000 -0.079 0.000) 0.079 7.037 ( 0.000 -1.929 0.000) 1.929 7.114 ( -0.000 1.106 -0.000) 1.106 7.781 ( -0.000 0.548 -0.000) 0.548 18.578 ( -0.000 0.046 -0.000) 0.046 18.611 ( 0.000 -0.084 0.000) 0.084 18.633 ( -0.000 0.025 -0.000) 0.025 18.651 ( 0.000 -0.099 0.000) 0.099 18.676 ( -0.000 0.197 -0.000) 0.197 18.760 ( 0.000 -0.100 0.000) 0.100 18.909 ( 0.000 -0.176 0.000) 0.176 18.935 ( 0.000 -0.040 0.000) 0.040 19.264 ( -0.000 0.061 -0.000) 0.061 19.312 ( -0.000 0.476 -0.000) 0.476 19.430 ( 0.000 -0.044 0.000) 0.044 19.492 ( -0.000 0.016 -0.000) 0.016 41.884 ( -0.000 0.229 -0.000) 0.229 41.885 ( -0.000 0.278 -0.000) 0.278 41.996 ( -0.000 0.860 -0.000) 0.860 41.999 ( -0.000 0.830 -0.000) 0.830 42.056 ( 0.000 -0.999 0.000) 0.999 42.066 ( 0.000 -1.526 0.000) 1.526 65.768 ( 0.000 -0.744 0.000) 0.744 65.936 ( 0.000 -7.161 0.000) 7.161 65.957 ( 0.000 -2.672 0.000) 2.672 66.154 ( 0.000 -4.963 0.000) 4.963 66.491 ( -0.000 2.228 -0.000) 2.228 68.880 ( -0.000 0.307 -0.000) 0.307 ======================= Grid point 38 (21/114) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 0.000 -0.000 0.000) 0.000 1.163 ( 0.000 -0.000 0.000) 0.000 1.285 ( 0.000 -0.000 0.000) 0.000 1.484 ( 0.000 -0.000 0.000) 0.000 1.566 ( 0.000 -0.000 0.000) 0.000 1.792 ( 0.000 -0.000 0.000) 0.000 2.027 ( 0.000 -0.000 0.000) 0.000 2.288 ( 0.000 -0.000 0.000) 0.000 2.396 ( 0.000 -0.000 0.000) 0.000 2.505 ( 0.000 -0.000 0.000) 0.000 2.683 ( 0.000 -0.000 0.000) 0.000 2.765 ( 0.000 -0.000 0.000) 0.000 2.811 ( 0.000 -0.000 0.000) 0.000 3.096 ( 0.000 -0.000 0.000) 0.000 3.301 ( 0.000 -0.000 0.000) 0.000 3.347 ( 0.000 -0.000 0.000) 0.000 3.417 ( 0.000 -0.000 0.000) 0.000 3.474 ( 0.000 -0.000 0.000) 0.000 3.823 ( 0.000 -0.000 0.000) 0.000 4.051 ( 0.000 -0.000 0.000) 0.000 4.129 ( 0.000 -0.000 0.000) 0.000 4.277 ( 0.000 -0.000 0.000) 0.000 4.512 ( 0.000 -0.000 0.000) 0.000 4.703 ( 0.000 -0.000 0.000) 0.000 4.781 ( 0.000 -0.000 0.000) 0.000 4.877 ( 0.000 -0.000 0.000) 0.000 4.896 ( 0.000 -0.000 0.000) 0.000 5.057 ( 0.000 -0.000 0.000) 0.000 5.339 ( 0.000 -0.000 0.000) 0.000 5.377 ( -0.000 0.000 -0.000) 0.000 5.384 ( 0.000 -0.000 0.000) 0.000 5.558 ( 0.000 -0.000 0.000) 0.000 5.616 ( -0.000 0.000 -0.000) 0.000 5.867 ( 0.000 -0.000 0.000) 0.000 5.932 ( 0.000 -0.000 0.000) 0.000 6.131 ( 0.000 -0.000 0.000) 0.000 6.271 ( 0.000 -0.000 0.000) 0.000 6.336 ( 0.000 -0.000 0.000) 0.000 6.899 ( 0.000 -0.000 0.000) 0.000 7.009 ( 0.000 -0.000 0.000) 0.000 7.129 ( 0.000 -0.000 0.000) 0.000 7.793 ( 0.000 -0.000 0.000) 0.000 18.579 ( 0.000 -0.000 0.000) 0.000 18.610 ( 0.000 -0.000 0.000) 0.000 18.633 ( 0.000 -0.000 0.000) 0.000 18.649 ( 0.000 -0.000 0.000) 0.000 18.678 ( 0.000 -0.000 0.000) 0.000 18.758 ( 0.000 -0.000 0.000) 0.000 18.907 ( 0.000 -0.000 0.000) 0.000 18.934 ( 0.000 -0.000 0.000) 0.000 19.265 ( 0.000 -0.000 0.000) 0.000 19.319 ( 0.000 -0.000 0.000) 0.000 19.430 ( 0.000 -0.000 0.000) 0.000 19.492 ( 0.000 -0.000 0.000) 0.000 41.887 ( 0.000 -0.000 0.000) 0.000 41.888 ( 0.000 -0.000 0.000) 0.000 42.018 ( 0.000 -0.000 0.000) 0.000 42.023 ( -0.000 0.000 -0.000) 0.000 42.031 ( 0.000 -0.000 0.000) 0.000 42.033 ( 0.000 -0.000 0.000) 0.000 65.767 ( 0.000 -0.000 0.000) 0.000 65.832 ( 0.000 -0.000 0.000) 0.000 65.932 ( 0.000 -0.000 0.000) 0.000 66.075 ( 0.000 -0.000 0.000) 0.000 66.520 ( 0.000 -0.000 0.000) 0.000 68.884 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 67 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -0.522 -0.000 18.846) 18.853 0.453 ( -15.750 -0.000 19.639) 25.174 0.793 ( -4.794 -0.000 32.590) 32.940 1.216 ( -0.833 -0.000 -1.881) 2.057 1.305 ( 18.075 0.000 6.032) 19.055 1.438 ( 1.930 0.000 1.328) 2.343 1.620 ( -8.222 -0.000 6.589) 10.537 1.978 ( -0.922 -0.000 -0.357) 0.989 2.281 ( -1.904 -0.000 -5.320) 5.650 2.342 ( 0.832 0.000 -0.067) 0.835 2.828 ( -2.502 -0.000 -0.419) 2.537 2.830 ( 5.013 0.000 -6.148) 7.933 3.041 ( 3.694 0.000 -3.930) 5.393 3.060 ( 0.932 0.000 -0.802) 1.230 3.310 ( 3.102 0.000 -4.780) 5.699 3.348 ( -1.145 -0.000 3.681) 3.855 3.423 ( 2.963 0.000 -0.445) 2.996 3.489 ( 1.375 0.000 0.709) 1.547 3.727 ( -1.070 -0.000 -1.278) 1.667 3.733 ( -0.462 -0.000 -6.709) 6.725 4.170 ( -0.070 -0.000 3.641) 3.641 4.274 ( -1.318 -0.000 1.639) 2.103 4.353 ( -0.179 -0.000 -1.703) 1.712 4.531 ( 0.619 0.000 3.063) 3.125 4.645 ( -1.150 -0.000 -0.446) 1.233 4.909 ( 1.660 0.000 2.271) 2.813 5.019 ( -1.221 -0.000 2.381) 2.676 5.043 ( 20.743 0.000 -4.554) 21.237 5.307 ( -3.376 -0.000 1.105) 3.553 5.406 ( -12.297 -0.000 -2.846) 12.622 5.447 ( 1.616 0.000 -1.866) 2.469 5.589 ( -4.203 -0.000 0.082) 4.204 5.758 ( 3.926 0.000 0.901) 4.028 5.848 ( 1.223 0.000 -0.519) 1.329 5.886 ( -1.653 -0.000 -4.746) 5.026 6.113 ( -2.726 -0.000 -3.172) 4.183 6.308 ( -1.611 -0.000 3.627) 3.969 6.447 ( -29.281 -0.000 4.946) 29.696 6.883 ( 1.141 0.000 -0.931) 1.472 6.954 ( -1.825 -0.000 -6.955) 7.190 7.540 ( 12.596 0.000 7.578) 14.700 7.915 ( -3.275 -0.000 -0.615) 3.332 18.570 ( -0.203 -0.000 0.022) 0.204 18.611 ( 1.543 0.000 -0.931) 1.802 18.647 ( -0.621 -0.000 0.578) 0.849 18.661 ( 0.701 0.000 -0.000) 0.701 18.711 ( -0.615 -0.000 0.453) 0.764 18.765 ( 0.248 0.000 -0.236) 0.343 18.925 ( -0.356 -0.000 0.125) 0.378 18.966 ( 3.968 0.000 -0.379) 3.986 19.262 ( -0.567 -0.000 0.052) 0.569 19.283 ( 0.313 0.000 -0.262) 0.408 19.459 ( -1.806 -0.000 0.303) 1.831 19.492 ( 0.442 0.000 -0.162) 0.470 41.879 ( -0.345 -0.000 0.076) 0.354 41.891 ( 0.143 0.000 -0.123) 0.189 41.975 ( 0.292 0.000 -0.012) 0.292 41.981 ( -0.383 -0.000 -0.120) 0.401 42.070 ( -0.116 -0.000 0.007) 0.117 42.074 ( 0.109 0.000 -0.043) 0.117 65.815 ( 2.553 0.000 -1.072) 2.769 66.148 ( -12.447 -0.000 -8.545) 15.097 66.174 ( 3.230 0.000 5.742) 6.588 66.495 ( 17.417 0.000 5.792) 18.355 66.742 ( -26.312 -0.000 1.698) 26.367 66.957 ( 2.893 0.000 -3.077) 4.224 ======================= Grid point 68 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 0.720 -8.307 14.498) 16.725 0.717 ( 4.633 -11.221 12.125) 17.157 1.018 ( -0.722 -3.162 19.548) 19.816 1.175 ( -2.642 -0.768 -2.319) 3.598 1.447 ( 2.404 -0.102 0.468) 2.451 1.541 ( 3.350 2.534 7.185) 8.323 1.680 ( 8.907 -4.127 10.931) 14.692 1.952 ( -2.023 0.587 -0.625) 2.197 2.214 ( -0.155 -0.231 -7.474) 7.479 2.381 ( 0.994 -2.464 1.812) 3.216 2.774 ( -4.353 -1.421 -3.018) 5.484 2.860 ( 3.565 -1.602 -5.759) 6.960 3.026 ( 3.051 6.589 -3.018) 7.864 3.039 ( -2.861 1.651 0.319) 3.319 3.312 ( 2.795 -1.807 -5.193) 6.168 3.381 ( -0.298 -2.914 -0.986) 3.091 3.440 ( 5.378 5.040 -2.148) 7.677 3.614 ( 2.456 -5.173 -1.425) 5.901 3.670 ( 1.737 -1.582 -1.209) 2.642 3.762 ( 1.260 -8.587 -3.545) 9.375 4.149 ( 2.878 6.100 7.568) 10.137 4.226 ( -5.075 -0.028 1.631) 5.331 4.407 ( 1.360 -2.811 -2.526) 4.016 4.566 ( 1.679 2.983 4.758) 5.862 4.636 ( 0.923 -2.084 -0.619) 2.362 4.868 ( -5.234 -1.057 -2.535) 5.910 4.978 ( -6.446 -0.166 -0.365) 6.459 5.094 ( 2.763 10.976 5.238) 12.472 5.171 ( 0.062 6.196 0.006) 6.197 5.355 ( -3.785 -4.959 -0.689) 6.276 5.404 ( 1.830 0.976 -1.698) 2.680 5.747 ( 3.022 -8.205 -9.202) 12.694 5.808 ( -1.020 2.110 1.461) 2.762 5.875 ( 3.546 -2.883 0.334) 4.582 5.878 ( 1.527 0.055 -0.770) 1.711 6.074 ( -2.268 -9.287 -6.361) 11.483 6.232 ( -13.490 0.455 8.272) 15.831 6.299 ( -3.418 1.056 3.614) 5.085 6.852 ( -0.705 2.007 -3.409) 4.018 6.950 ( 1.753 -4.933 -2.523) 5.812 7.665 ( 5.199 5.893 9.188) 12.091 7.821 ( -5.844 1.958 -2.849) 6.789 18.566 ( -0.371 -0.093 -0.048) 0.386 18.619 ( 1.005 0.213 -0.930) 1.385 18.642 ( -0.317 0.018 -0.063) 0.324 18.676 ( 1.157 -0.076 0.248) 1.186 18.697 ( -0.897 0.861 1.334) 1.824 18.764 ( -0.002 0.074 -0.287) 0.296 18.920 ( -0.337 0.132 0.024) 0.363 18.983 ( 1.590 1.990 -0.803) 2.671 19.250 ( -1.019 -0.014 -0.088) 1.023 19.286 ( 0.265 0.042 -0.130) 0.298 19.441 ( -0.819 0.216 0.660) 1.073 19.500 ( 0.721 0.044 -0.052) 0.724 41.873 ( -0.403 0.149 0.010) 0.430 41.891 ( 0.142 0.138 -0.004) 0.198 41.974 ( -0.351 0.095 -0.305) 0.474 41.981 ( 0.503 -0.008 -0.070) 0.508 42.068 ( -0.047 -0.170 0.043) 0.181 42.076 ( -0.159 -0.289 0.137) 0.357 65.811 ( -2.719 0.531 1.245) 3.037 65.941 ( -9.768 -0.153 -6.260) 11.602 66.211 ( -1.225 4.976 4.126) 6.579 66.447 ( -2.148 1.426 3.382) 4.253 66.868 ( 18.029 -3.600 4.874) 19.020 67.282 ( -7.598 -41.778 -18.190) 46.195 ======================= Grid point 69 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.780 ( 6.918 -13.586 4.996) 16.044 0.971 ( 6.305 -5.300 5.650) 9.988 1.095 ( -1.575 -2.153 2.194) 3.454 1.198 ( -0.135 -3.774 6.461) 7.484 1.490 ( 1.454 -0.721 3.528) 3.883 1.624 ( 4.548 -4.415 0.380) 6.350 1.876 ( -4.525 2.631 1.608) 5.475 2.033 ( 12.825 -4.530 15.786) 20.837 2.184 ( 3.409 -1.825 -8.286) 9.144 2.451 ( 0.158 -3.093 4.375) 5.360 2.686 ( -7.630 -2.809 -3.547) 8.870 2.800 ( 0.689 9.583 -7.516) 12.199 2.923 ( 0.530 7.679 -9.038) 11.872 3.008 ( -4.136 -6.932 3.189) 8.679 3.345 ( 3.079 -1.484 -3.955) 5.227 3.410 ( 3.541 0.199 -3.833) 5.222 3.438 ( 1.539 -2.285 -0.328) 2.775 3.584 ( -2.067 0.181 -2.585) 3.315 3.717 ( -0.131 -0.696 0.179) 0.731 3.969 ( 5.067 -8.080 1.890) 9.722 4.186 ( -0.763 -1.824 3.127) 3.700 4.241 ( 4.917 -1.711 3.787) 6.437 4.387 ( -1.469 1.683 -1.966) 2.975 4.550 ( -2.321 3.152 1.934) 4.366 4.725 ( 4.978 -3.055 2.475) 6.343 4.816 ( -4.742 -4.300 -0.569) 6.426 4.886 ( -0.414 1.076 -6.359) 6.462 5.050 ( -2.094 5.698 8.179) 10.186 5.138 ( 1.515 2.838 1.076) 3.392 5.299 ( -3.417 1.738 -3.266) 5.036 5.437 ( 3.079 0.029 -0.602) 3.138 5.731 ( -3.285 1.426 -2.395) 4.308 5.736 ( -2.455 1.180 -1.015) 2.907 5.924 ( 1.964 -1.278 0.463) 2.388 5.931 ( 0.623 -2.529 -1.761) 3.144 6.113 ( -4.049 -5.784 -2.689) 7.555 6.155 ( -1.009 3.826 5.577) 6.838 6.267 ( -1.810 0.138 0.974) 2.060 6.811 ( 0.075 0.623 -1.428) 1.560 7.030 ( 2.711 -5.411 -1.797) 6.313 7.615 ( -6.576 6.003 -2.080) 9.144 7.769 ( 2.609 3.127 4.797) 6.293 18.562 ( -0.315 -0.093 -0.028) 0.330 18.622 ( 0.620 0.135 -0.596) 0.870 18.637 ( -0.052 0.044 -0.528) 0.532 18.688 ( -0.716 0.343 1.325) 1.545 18.698 ( 1.206 -0.134 0.297) 1.249 18.757 ( -0.417 0.199 -0.536) 0.708 18.915 ( -0.146 0.153 0.085) 0.228 18.968 ( 0.402 1.474 -0.433) 1.588 19.236 ( -0.953 -0.024 0.034) 0.954 19.287 ( 0.154 0.109 -0.052) 0.196 19.437 ( -0.315 0.057 0.477) 0.574 19.508 ( 0.650 0.084 -0.100) 0.663 41.864 ( -0.358 0.569 0.144) 0.687 41.891 ( -0.046 0.188 0.139) 0.238 41.965 ( -0.110 0.130 -0.650) 0.672 41.988 ( 0.790 0.124 -0.269) 0.844 42.071 ( -0.640 -0.481 0.303) 0.857 42.083 ( 0.217 -0.767 0.461) 0.921 65.751 ( -6.611 1.170 3.501) 7.571 65.789 ( -6.099 0.472 -3.437) 7.017 66.167 ( 0.595 2.599 0.138) 2.670 66.496 ( -0.570 -4.062 4.549) 6.125 67.169 ( 15.912 -2.186 0.994) 16.092 67.442 ( -6.292 -23.235 -13.469) 27.583 ======================= Grid point 70 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -1.169 -2.329 -0.330) 2.627 1.108 ( 4.259 -0.113 2.480) 4.930 1.205 ( 4.131 -6.071 1.263) 7.451 1.315 ( 2.302 -4.667 5.115) 7.297 1.556 ( -0.268 -0.932 5.522) 5.607 1.687 ( -2.187 2.933 -0.179) 3.663 1.882 ( 6.147 -7.522 1.706) 9.863 2.201 ( 2.643 -3.643 -8.439) 9.564 2.334 ( 7.299 -2.215 5.491) 9.399 2.425 ( -5.495 4.446 1.424) 7.210 2.585 ( -3.102 10.434 -7.708) 13.338 2.707 ( 0.013 -7.664 6.044) 9.760 2.742 ( -0.798 7.144 -5.263) 8.909 3.111 ( -1.701 -12.326 0.357) 12.448 3.359 ( 3.487 3.232 -0.858) 4.831 3.435 ( 3.913 -5.371 -8.794) 11.022 3.510 ( -1.831 -4.259 1.601) 4.904 3.540 ( -0.657 3.534 4.418) 5.695 3.716 ( 0.648 -1.334 -1.051) 1.818 3.963 ( -5.726 3.233 -1.586) 6.764 4.236 ( 1.517 2.378 0.064) 2.821 4.346 ( 0.646 -2.097 4.135) 4.681 4.420 ( 2.381 -6.061 -2.000) 6.812 4.484 ( -2.609 1.252 -1.633) 3.323 4.770 ( -0.432 -0.850 -0.262) 0.989 4.831 ( 0.430 1.848 -3.973) 4.403 4.907 ( 3.447 -4.204 4.689) 7.180 5.020 ( -0.665 3.570 4.031) 5.426 5.162 ( 3.260 0.331 2.406) 4.065 5.217 ( 0.043 2.590 -0.044) 2.591 5.469 ( 2.823 3.343 1.433) 4.604 5.601 ( -5.715 3.685 -0.079) 6.801 5.723 ( -3.197 -3.109 0.026) 4.459 5.918 ( -2.318 -2.610 -6.523) 7.398 5.943 ( 2.364 1.393 -1.446) 3.102 6.124 ( -1.134 2.011 4.355) 4.930 6.136 ( 0.597 2.490 3.897) 4.663 6.280 ( 0.600 -2.890 0.705) 3.035 6.812 ( 0.676 -0.110 0.491) 0.842 7.125 ( 2.873 -5.466 -1.382) 6.328 7.419 ( -7.069 3.650 -5.733) 9.806 7.794 ( 1.802 4.176 3.880) 5.978 18.560 ( -0.136 -0.041 0.025) 0.144 18.625 ( 0.396 -0.008 -0.253) 0.470 18.631 ( 0.074 0.006 -0.881) 0.884 18.685 ( -0.873 -0.015 1.235) 1.512 18.719 ( 1.243 -0.169 0.108) 1.259 18.740 ( -0.790 0.266 -0.868) 1.204 18.914 ( 0.014 0.068 0.290) 0.298 18.955 ( 0.125 0.741 -0.273) 0.799 19.227 ( -0.489 -0.007 0.294) 0.570 19.286 ( 0.070 0.150 -0.088) 0.188 19.437 ( -0.172 -0.005 0.480) 0.510 19.513 ( 0.354 0.068 -0.246) 0.437 41.854 ( -0.147 0.677 0.350) 0.777 41.888 ( -0.129 0.159 0.100) 0.228 41.958 ( 0.243 0.046 -0.992) 1.022 41.997 ( 0.761 -0.161 -0.292) 0.831 42.067 ( -0.822 -0.078 0.319) 0.886 42.104 ( 0.145 -0.866 1.124) 1.426 65.678 ( -5.172 1.182 3.624) 6.425 65.710 ( -2.464 0.160 -0.905) 2.629 66.162 ( 2.861 1.961 -1.111) 3.642 66.575 ( -4.779 -6.986 6.890) 10.914 67.308 ( -5.676 -14.679 -12.840) 20.311 67.557 ( 14.862 4.539 2.556) 15.749 ======================= Grid point 71 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -1.958 -2.026 -1.313) 3.108 1.160 ( 3.213 3.313 3.342) 5.698 1.259 ( -0.571 2.906 -0.496) 3.003 1.407 ( 0.389 -0.063 2.507) 2.538 1.471 ( -7.349 3.830 -0.279) 8.292 1.722 ( 2.304 -1.941 7.209) 7.813 2.011 ( -2.192 1.547 -12.289) 12.579 2.113 ( -3.733 5.509 -10.850) 12.728 2.233 ( -2.071 2.312 6.675) 7.362 2.436 ( -1.050 1.124 -0.503) 1.619 2.551 ( 6.578 -5.551 3.002) 9.116 2.649 ( 3.311 1.461 -1.821) 4.052 2.889 ( 2.788 -4.631 5.301) 7.570 3.230 ( -0.732 -8.725 -1.259) 8.846 3.356 ( 0.665 4.247 2.678) 5.065 3.469 ( -4.575 -2.786 -0.178) 5.360 3.480 ( 2.187 -2.705 -5.122) 6.191 3.606 ( 1.759 -2.648 4.262) 5.317 3.771 ( 0.873 -3.122 1.575) 3.604 3.841 ( -2.917 -0.853 -2.603) 4.002 4.182 ( -2.575 4.917 -3.644) 6.639 4.314 ( -4.314 3.009 0.187) 5.263 4.444 ( -3.157 -2.708 -2.921) 5.082 4.464 ( 1.719 -0.667 -3.270) 3.754 4.752 ( -0.391 3.452 0.524) 3.513 4.769 ( 1.477 2.970 -3.538) 4.850 5.015 ( 2.165 1.755 4.583) 5.364 5.039 ( 2.121 4.568 8.250) 9.665 5.205 ( 0.455 -1.555 0.726) 1.776 5.279 ( 4.011 -1.271 3.152) 5.257 5.425 ( -2.922 -0.689 1.986) 3.600 5.563 ( 3.458 2.807 0.072) 4.455 5.718 ( -3.396 -4.380 -1.012) 5.634 5.854 ( -0.894 0.223 -5.619) 5.694 5.949 ( 3.579 1.994 -1.773) 4.464 6.076 ( -3.221 3.080 2.892) 5.313 6.176 ( 1.307 0.183 3.175) 3.438 6.371 ( 3.611 -3.063 4.955) 6.854 6.834 ( 0.847 -0.262 1.608) 1.836 7.176 ( -1.635 0.480 -2.495) 3.021 7.298 ( -1.287 -4.993 -6.456) 8.263 7.781 ( 0.639 3.988 2.307) 4.651 18.560 ( 0.086 0.039 0.093) 0.133 18.625 ( 0.115 -0.096 -1.177) 1.187 18.629 ( 0.239 -0.112 0.100) 0.282 18.683 ( -0.987 -0.243 1.078) 1.482 18.716 ( -0.946 0.254 -1.064) 1.446 18.737 ( 1.050 -0.166 -0.082) 1.067 18.917 ( -0.008 -0.047 0.443) 0.445 18.950 ( 0.106 0.055 -0.212) 0.244 19.228 ( 0.129 0.027 0.556) 0.571 19.284 ( 0.075 0.162 -0.213) 0.278 19.440 ( -0.177 -0.077 0.608) 0.638 19.512 ( -0.006 0.012 -0.413) 0.413 41.851 ( 0.105 0.243 0.508) 0.573 41.885 ( -0.044 0.139 -0.065) 0.159 41.954 ( 0.490 0.005 -1.108) 1.211 42.009 ( 0.348 -0.696 -0.072) 0.782 42.056 ( -0.550 0.502 0.090) 0.750 42.121 ( -0.221 -0.144 1.659) 1.679 65.644 ( -1.655 1.076 3.231) 3.786 65.707 ( 1.792 -1.030 0.493) 2.125 66.173 ( 2.782 2.164 0.083) 3.525 66.634 ( -9.150 -8.449 8.059) 14.834 67.217 ( -14.629 -12.695 -14.250) 24.047 67.742 ( 23.972 15.252 4.752) 28.808 ======================= Grid point 72 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -4.618 0.981 -2.895) 5.538 1.081 ( -6.117 13.572 -2.350) 15.071 1.173 ( 0.977 5.208 5.238) 7.451 1.319 ( -7.097 5.585 5.724) 10.692 1.430 ( -0.033 -0.223 -2.031) 2.043 1.674 ( -14.648 5.325 -10.658) 18.882 1.817 ( -1.151 2.045 -2.595) 3.499 1.916 ( -2.045 3.922 2.655) 5.159 2.327 ( 4.129 -0.036 3.469) 5.393 2.410 ( -1.198 0.882 0.105) 1.491 2.686 ( 6.283 -1.282 0.392) 6.424 2.796 ( 4.689 -9.482 2.616) 10.897 2.960 ( 1.362 -0.777 -2.107) 2.626 3.263 ( 0.894 5.102 3.700) 6.366 3.309 ( -4.130 -2.884 -2.077) 5.449 3.475 ( -0.799 -0.757 -0.244) 1.127 3.512 ( 1.098 -4.692 -1.437) 5.029 3.635 ( -1.866 -0.620 -0.519) 2.034 3.813 ( -2.392 -2.723 0.399) 3.647 3.896 ( 1.264 -5.425 1.938) 5.898 3.994 ( -5.728 6.689 -4.466) 9.874 4.212 ( -4.109 3.731 -2.098) 5.933 4.413 ( -0.991 -1.871 -1.800) 2.779 4.445 ( 1.553 1.631 -4.855) 5.352 4.713 ( 0.108 3.187 1.716) 3.621 4.770 ( 3.576 1.348 0.005) 3.822 4.949 ( -2.128 10.465 6.786) 12.653 5.104 ( -1.081 -0.081 5.170) 5.283 5.227 ( 1.929 -0.961 2.357) 3.194 5.332 ( -0.178 -1.153 -0.488) 1.265 5.507 ( 1.938 -7.427 0.325) 7.682 5.567 ( 2.294 3.592 0.275) 4.271 5.716 ( -0.988 -4.554 -5.915) 7.530 5.836 ( 1.843 -0.513 -0.956) 2.139 5.965 ( 3.551 2.743 -0.344) 4.501 6.032 ( -1.278 1.551 3.840) 4.334 6.214 ( 0.784 -0.612 2.237) 2.448 6.519 ( 6.664 -0.280 8.916) 11.135 6.869 ( 1.533 -0.552 2.187) 2.728 7.082 ( -2.886 1.432 -5.181) 6.101 7.314 ( -1.782 -5.269 -7.819) 9.596 7.780 ( 1.765 0.973 2.993) 3.609 18.563 ( 0.288 0.109 0.167) 0.351 18.618 ( 0.113 -0.208 -1.407) 1.427 18.635 ( 0.109 -0.137 0.440) 0.473 18.681 ( -1.081 -0.402 0.850) 1.433 18.692 ( -0.901 0.199 -0.953) 1.327 18.750 ( 0.784 -0.141 -0.257) 0.837 18.921 ( -0.099 -0.155 0.457) 0.493 18.952 ( -0.025 -0.481 -0.378) 0.612 19.238 ( 0.603 0.038 0.707) 0.930 19.282 ( 0.181 0.151 -0.339) 0.413 19.444 ( -0.302 -0.193 0.796) 0.873 19.506 ( -0.292 -0.038 -0.536) 0.612 41.858 ( 0.244 -0.285 0.539) 0.657 41.883 ( -0.008 -0.011 -0.215) 0.215 41.955 ( 0.574 -0.265 -0.904) 1.103 42.016 ( -0.476 -0.217 0.131) 0.539 42.046 ( 0.259 0.267 -0.201) 0.423 42.125 ( -0.512 0.900 1.769) 2.049 65.655 ( 1.886 0.609 1.553) 2.518 65.794 ( 6.519 -1.975 2.300) 7.189 66.186 ( 1.263 1.916 2.269) 3.228 66.652 ( -12.183 -8.345 7.783) 16.693 67.012 ( -16.645 -7.069 -12.838) 22.177 67.905 ( 28.348 22.098 2.404) 36.024 ======================= Grid point 73 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -10.176 10.817 1.548) 14.932 0.791 ( -12.313 11.581 -0.220) 16.905 1.107 ( -9.493 13.300 13.413) 21.140 1.218 ( -0.600 2.465 1.182) 2.799 1.344 ( -10.226 3.048 -7.781) 13.206 1.421 ( -0.141 0.261 -1.625) 1.652 1.731 ( -5.628 -0.871 1.756) 5.959 1.953 ( 0.718 -0.741 3.555) 3.701 2.356 ( 0.279 1.312 -0.300) 1.374 2.403 ( 0.290 1.557 1.684) 2.312 2.778 ( 5.384 -1.152 -2.160) 5.915 2.923 ( 0.598 1.500 -2.792) 3.226 2.951 ( 1.293 -5.218 -2.870) 6.094 3.216 ( -1.274 5.777 3.133) 6.694 3.310 ( -0.768 -3.659 -1.264) 3.946 3.410 ( -1.422 3.360 -6.717) 7.643 3.535 ( -2.700 0.567 -1.649) 3.214 3.663 ( 0.134 -5.051 5.293) 7.318 3.716 ( -2.998 5.820 -0.525) 6.568 3.866 ( -5.552 -0.546 -6.840) 8.826 3.953 ( -3.592 -0.391 5.861) 6.885 4.155 ( 3.002 -0.500 -0.089) 3.045 4.407 ( -0.378 -1.862 -3.071) 3.612 4.442 ( 3.940 1.542 0.119) 4.233 4.677 ( -0.407 4.374 -0.257) 4.401 4.815 ( 2.436 1.887 1.441) 3.401 4.877 ( -2.375 1.523 5.885) 6.526 5.085 ( -2.613 2.804 2.734) 4.709 5.296 ( -3.138 -5.821 0.168) 6.615 5.334 ( 4.579 2.817 -0.046) 5.376 5.556 ( 0.859 0.820 -0.383) 1.248 5.593 ( 0.720 -5.647 -4.304) 7.137 5.732 ( 1.785 -3.453 -2.945) 4.877 5.849 ( 0.687 0.558 -1.607) 1.834 5.978 ( 0.729 1.081 3.953) 4.163 6.079 ( 3.905 -0.189 2.134) 4.455 6.250 ( 0.386 -1.099 2.214) 2.502 6.714 ( 11.413 2.603 14.753) 18.833 6.914 ( 1.691 0.855 1.558) 2.453 6.998 ( -0.902 -0.312 -6.359) 6.430 7.223 ( -6.181 -1.496 -10.792) 12.526 7.850 ( 2.383 -2.361 3.180) 4.623 18.568 ( 0.383 0.148 0.203) 0.458 18.611 ( 0.071 -0.230 -1.564) 1.582 18.642 ( -0.070 -0.087 0.837) 0.845 18.670 ( -0.636 0.133 -0.744) 0.988 18.681 ( -1.094 -0.688 0.780) 1.510 18.758 ( 0.545 -0.087 -0.337) 0.647 18.925 ( -0.170 -0.206 0.380) 0.464 18.951 ( -0.481 -0.683 -0.845) 1.188 19.252 ( 0.658 0.016 0.655) 0.928 19.281 ( 0.330 0.128 -0.385) 0.523 19.449 ( -0.522 -0.486 1.042) 1.263 19.498 ( -0.344 -0.054 -0.544) 0.646 41.871 ( 0.209 -0.502 0.402) 0.676 41.882 ( -0.078 -0.290 -0.182) 0.351 41.962 ( 0.478 -0.551 -0.575) 0.929 42.004 ( -0.549 0.763 0.049) 0.941 42.053 ( 0.409 -0.570 -0.185) 0.725 42.114 ( -0.543 1.753 1.308) 2.254 65.701 ( 4.379 0.068 -0.174) 4.383 65.967 ( 11.258 -2.011 3.656) 12.006 66.195 ( -1.325 0.832 4.193) 4.475 66.632 ( -13.102 -8.158 6.494) 16.745 66.741 ( -16.577 -1.908 -10.916) 19.940 68.002 ( 34.796 33.243 -5.320) 48.416 ======================= Grid point 74 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -14.381 8.213 9.396) 19.041 0.511 ( -13.097 3.344 17.956) 22.475 0.850 ( -15.297 18.397 22.507) 32.848 1.180 ( -3.117 1.644 -2.597) 4.377 1.223 ( 1.145 0.261 -0.652) 1.343 1.419 ( 0.712 -0.315 -0.742) 1.076 1.692 ( -7.570 -0.563 5.936) 9.636 1.982 ( -0.195 -0.278 1.310) 1.353 2.333 ( -0.453 0.546 -2.063) 2.182 2.372 ( -1.232 2.248 -1.396) 2.919 2.815 ( 2.663 -0.056 -4.760) 5.455 2.871 ( 1.036 2.554 -2.744) 3.889 2.998 ( 2.088 -2.876 -3.592) 5.053 3.113 ( -0.693 5.246 -5.183) 7.407 3.312 ( -0.843 -0.441 1.737) 1.981 3.378 ( 0.556 -2.876 -1.420) 3.255 3.425 ( -5.661 4.049 -1.691) 7.163 3.590 ( -3.153 9.151 -0.933) 9.723 3.733 ( -2.421 -2.087 -3.191) 4.516 3.795 ( 2.229 1.605 0.784) 2.856 3.992 ( -4.284 -11.447 9.634) 15.563 4.237 ( 3.506 -1.767 0.631) 3.977 4.419 ( 0.784 -0.220 -2.055) 2.211 4.509 ( 6.617 0.239 1.767) 6.853 4.594 ( 2.046 7.081 -0.084) 7.371 4.809 ( -2.418 0.587 6.214) 6.694 4.922 ( 0.869 -2.675 0.832) 2.933 5.032 ( -0.910 2.976 1.226) 3.345 5.330 ( -1.823 -7.869 -0.808) 8.118 5.343 ( -1.030 2.015 2.593) 3.442 5.528 ( -1.646 -0.613 -6.404) 6.641 5.645 ( 4.224 -1.904 -2.563) 5.295 5.776 ( 2.997 1.040 -1.842) 3.668 5.830 ( 0.135 1.201 0.027) 1.209 5.992 ( -1.323 2.974 1.096) 3.435 6.131 ( 1.275 -1.521 -1.495) 2.485 6.286 ( -0.355 -1.216 2.931) 3.193 6.858 ( -7.307 -0.425 -11.881) 13.955 6.914 ( -0.272 1.930 -4.470) 4.876 7.046 ( -5.051 1.020 -6.495) 8.291 7.108 ( 19.331 -1.967 20.628) 28.338 7.919 ( 0.121 -2.091 1.526) 2.591 18.571 ( 0.198 0.180 0.086) 0.282 18.602 ( 0.306 -0.039 -1.074) 1.118 18.648 ( -0.428 -0.012 1.132) 1.210 18.659 ( -0.020 0.095 -0.442) 0.453 18.689 ( -0.551 -1.705 1.248) 2.184 18.763 ( 0.393 -0.011 -0.324) 0.510 18.927 ( -0.239 -0.137 0.269) 0.385 18.940 ( -0.616 -0.101 -0.613) 0.875 19.263 ( 0.180 -0.005 0.385) 0.425 19.281 ( 0.391 0.084 -0.353) 0.533 19.460 ( -0.813 -1.358 1.076) 1.913 19.491 ( -0.043 -0.031 -0.393) 0.396 41.879 ( -0.094 -0.232 0.260) 0.361 41.886 ( 0.077 -0.538 -0.069) 0.548 41.971 ( 0.281 -0.456 -0.252) 0.592 41.989 ( -0.326 0.577 0.022) 0.663 42.064 ( 0.206 -0.635 -0.118) 0.678 42.090 ( -0.478 1.894 0.258) 1.970 65.764 ( 5.080 -0.255 -1.315) 5.254 66.154 ( 0.053 -0.024 4.541) 4.541 66.232 ( 10.587 -0.134 5.105) 11.754 66.434 ( -14.898 1.135 -11.383) 18.783 66.636 ( -11.395 -12.550 8.867) 19.130 67.806 ( 29.844 63.039 -31.301) 76.448 ======================= Grid point 76 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 3.507 0.000 15.938) 16.319 0.861 ( 10.571 0.000 11.243) 15.432 1.103 ( -2.941 -0.000 -2.660) 3.965 1.163 ( 2.779 0.000 10.919) 11.267 1.481 ( 1.375 0.000 2.282) 2.664 1.573 ( 0.433 0.000 2.949) 2.980 1.914 ( -3.709 -0.000 -0.163) 3.713 1.975 ( 15.098 0.000 16.949) 22.699 2.170 ( 3.567 0.000 -9.086) 9.761 2.386 ( 0.199 0.000 1.936) 1.946 2.656 ( -8.012 -0.000 -2.271) 8.327 2.850 ( 0.584 0.000 -1.727) 1.823 3.014 ( -2.404 -0.000 -2.472) 3.448 3.085 ( 1.240 0.000 -5.851) 5.981 3.288 ( 1.237 0.000 -8.253) 8.345 3.350 ( 1.894 0.000 0.271) 1.913 3.543 ( -1.298 -0.000 -3.199) 3.452 3.606 ( 7.124 0.000 -7.074) 10.040 3.698 ( 10.014 0.000 -1.061) 10.070 3.714 ( 3.564 0.000 2.355) 4.272 4.142 ( -5.950 -0.000 1.864) 6.235 4.263 ( 0.976 0.000 6.215) 6.291 4.430 ( 3.732 0.000 0.038) 3.732 4.654 ( -2.342 -0.000 6.946) 7.330 4.658 ( 2.198 0.000 -2.603) 3.407 4.717 ( -6.568 -0.000 -1.262) 6.688 4.856 ( -4.390 -0.000 -3.675) 5.725 5.122 ( -6.504 -0.000 2.963) 7.147 5.234 ( 1.529 0.000 -4.906) 5.139 5.274 ( 0.408 0.000 2.559) 2.591 5.530 ( 3.177 0.000 2.267) 3.903 5.654 ( 4.280 0.000 -3.043) 5.252 5.762 ( -8.936 -0.000 -6.354) 10.965 5.821 ( -0.226 -0.000 -1.454) 1.471 5.973 ( 3.325 0.000 -0.827) 3.427 5.979 ( 4.386 0.000 5.906) 7.356 6.220 ( -3.917 -0.000 7.769) 8.700 6.283 ( -4.262 -0.000 3.332) 5.410 6.857 ( 1.982 0.000 -3.848) 4.328 6.925 ( 1.947 0.000 -0.261) 1.964 7.696 ( -8.803 -0.000 -5.012) 10.130 7.820 ( 2.497 0.000 8.003) 8.384 18.561 ( -0.289 -0.000 0.003) 0.289 18.624 ( 0.374 0.000 -0.504) 0.627 18.638 ( 0.174 0.000 -0.868) 0.886 18.695 ( -1.214 -0.000 1.084) 1.628 18.695 ( 1.333 0.000 0.271) 1.360 18.759 ( -0.399 -0.000 -0.474) 0.619 18.917 ( -0.235 -0.000 0.087) 0.250 18.995 ( -0.064 -0.000 -1.300) 1.301 19.236 ( -0.944 -0.000 0.044) 0.945 19.291 ( 0.410 0.000 -0.109) 0.425 19.438 ( -0.447 -0.000 0.545) 0.705 19.509 ( 0.635 0.000 -0.058) 0.637 41.869 ( -0.298 -0.000 0.015) 0.298 41.893 ( 0.058 0.000 0.051) 0.077 41.967 ( -0.132 -0.000 -0.288) 0.317 41.991 ( 0.546 0.000 0.332) 0.639 42.063 ( -0.293 -0.000 -0.064) 0.300 42.077 ( 0.022 0.000 -0.031) 0.038 65.768 ( -6.622 -0.000 4.103) 7.791 65.787 ( -6.548 -0.000 -3.836) 7.589 66.264 ( -1.597 -0.000 -1.067) 1.920 66.453 ( 0.686 0.000 0.522) 0.862 66.726 ( -1.878 -0.000 -4.934) 5.279 67.343 ( 22.526 0.000 7.230) 23.658 ======================= Grid point 77 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 4.790 -6.413 6.494) 10.308 1.076 ( 3.021 -0.905 1.746) 3.604 1.100 ( 9.176 -2.682 4.020) 10.371 1.258 ( 2.470 0.360 6.138) 6.627 1.529 ( 0.717 -0.773 5.576) 5.675 1.663 ( 7.085 -2.738 2.999) 8.166 1.839 ( -5.895 1.711 1.583) 6.339 2.163 ( 6.153 -0.236 -11.442) 12.993 2.286 ( 10.347 -0.934 8.145) 13.201 2.450 ( 0.067 -2.459 8.287) 8.645 2.532 ( -6.644 -2.613 0.428) 7.153 2.849 ( -4.582 -5.065 -0.888) 6.888 2.901 ( -0.840 9.210 -4.445) 10.261 2.960 ( -1.047 7.206 -7.746) 10.632 3.268 ( -0.230 -5.051 -6.556) 8.280 3.415 ( 2.985 -2.640 0.635) 4.035 3.529 ( -0.315 -3.118 -2.006) 3.721 3.551 ( 6.760 10.158 -4.782) 13.105 3.774 ( 3.900 3.130 1.577) 5.244 3.930 ( 4.091 -8.313 -1.430) 9.375 4.121 ( -0.561 -5.282 3.160) 6.181 4.332 ( 1.968 -0.927 4.694) 5.174 4.412 ( -2.282 7.584 -1.258) 8.019 4.524 ( -3.684 0.772 -1.122) 3.928 4.652 ( -5.767 -6.856 -0.819) 8.996 4.795 ( 5.348 -3.133 3.071) 6.917 4.880 ( 4.601 -0.403 -0.321) 4.629 5.033 ( -7.324 -0.753 1.181) 7.456 5.228 ( 5.464 3.227 -1.884) 6.619 5.285 ( -0.372 1.063 -0.412) 1.199 5.554 ( 1.694 3.856 3.959) 5.781 5.611 ( -5.253 -3.588 -3.944) 7.485 5.669 ( -5.071 1.052 0.306) 5.188 5.840 ( 2.079 -3.321 -3.175) 5.043 6.005 ( 4.047 2.877 0.258) 4.972 6.102 ( 1.943 -3.382 6.215) 7.338 6.215 ( -1.913 2.334 4.195) 5.168 6.241 ( -4.151 0.449 2.685) 4.964 6.850 ( 3.253 2.874 -1.315) 4.535 6.986 ( 2.164 -5.011 -1.101) 5.568 7.503 ( -9.571 2.296 -6.846) 11.989 7.882 ( 0.557 2.330 5.988) 6.449 18.559 ( -0.091 -0.038 0.069) 0.120 18.624 ( 0.074 -0.015 -0.053) 0.093 18.632 ( 0.353 0.046 -1.429) 1.472 18.686 ( -1.146 0.057 1.086) 1.580 18.716 ( 1.252 -0.067 0.138) 1.262 18.745 ( -0.807 0.139 -0.769) 1.124 18.916 ( -0.118 0.037 0.252) 0.281 18.976 ( -0.531 0.698 -0.720) 1.135 19.227 ( -0.443 0.002 0.310) 0.540 19.293 ( 0.390 0.291 -0.124) 0.502 19.438 ( -0.244 0.021 0.516) 0.571 19.515 ( 0.305 0.057 -0.180) 0.358 41.866 ( -0.095 0.160 0.157) 0.244 41.893 ( -0.076 0.143 0.163) 0.230 41.964 ( 0.199 0.372 -0.353) 0.550 42.000 ( 0.575 0.184 0.218) 0.642 42.061 ( -0.461 -0.300 0.026) 0.551 42.079 ( -0.056 -0.664 0.238) 0.707 65.694 ( -4.139 0.225 -0.160) 4.148 65.711 ( -5.637 -0.039 3.322) 6.544 66.208 ( -0.025 3.064 -0.246) 3.074 66.473 ( 0.116 -1.370 -0.450) 1.446 66.775 ( -7.199 -19.911 -8.332) 22.753 67.703 ( 24.031 3.549 6.477) 25.140 ======================= Grid point 78 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -0.878 -2.245 -0.191) 2.418 1.182 ( 3.755 -2.228 2.926) 5.256 1.247 ( 5.592 -0.377 0.648) 5.642 1.349 ( 3.689 -2.281 1.920) 4.743 1.589 ( -1.829 1.995 7.242) 7.731 1.723 ( -2.291 2.711 4.557) 5.776 1.918 ( 11.474 -6.808 2.001) 13.491 2.117 ( 0.347 1.438 -13.053) 13.137 2.360 ( -5.250 3.119 2.167) 6.480 2.424 ( 2.483 -4.410 0.816) 5.126 2.649 ( -0.881 6.488 0.915) 6.612 2.756 ( 1.305 5.866 -8.530) 10.434 2.810 ( 4.438 0.768 11.903) 12.726 2.930 ( -1.082 -9.536 -2.283) 9.865 3.290 ( -1.420 -7.550 -5.054) 9.196 3.439 ( -1.156 -0.922 -2.947) 3.298 3.498 ( 7.023 7.903 -3.652) 11.185 3.608 ( 2.361 -4.655 4.519) 6.904 3.748 ( 0.243 5.078 -1.058) 5.193 3.901 ( -5.863 2.965 -1.764) 6.802 4.241 ( 1.057 -2.249 -2.323) 3.402 4.306 ( -2.450 -0.877 1.518) 3.013 4.379 ( -2.712 -0.539 1.896) 3.353 4.485 ( 1.391 2.070 -1.427) 2.873 4.717 ( 2.484 -6.879 -1.343) 7.436 4.858 ( -0.631 2.831 1.245) 3.156 4.941 ( 1.772 -4.267 4.312) 6.319 5.038 ( 3.060 -2.654 0.128) 4.053 5.266 ( 4.639 1.047 0.079) 4.756 5.281 ( 2.663 2.197 1.579) 3.796 5.489 ( -6.186 3.267 0.108) 6.997 5.573 ( -4.071 -2.286 -2.225) 5.172 5.634 ( -0.029 0.396 3.923) 3.943 5.863 ( 0.237 -0.024 -2.106) 2.120 6.019 ( 4.813 3.328 -0.609) 5.883 6.160 ( -4.021 2.710 4.367) 6.526 6.203 ( -0.442 1.891 4.763) 5.144 6.241 ( 1.081 -5.528 2.196) 6.045 6.860 ( 2.968 2.216 0.890) 3.809 7.078 ( 2.574 -5.992 -1.513) 6.695 7.289 ( -8.208 2.036 -8.350) 11.884 7.877 ( -1.180 3.455 3.474) 5.040 18.560 ( 0.137 -0.013 0.145) 0.200 18.623 ( -0.036 -0.059 -1.052) 1.055 18.627 ( 0.319 -0.039 -0.322) 0.455 18.679 ( -1.075 -0.079 1.013) 1.479 18.722 ( -0.889 0.190 -1.037) 1.379 18.734 ( 0.949 -0.059 0.027) 0.951 18.916 ( -0.141 -0.020 0.390) 0.416 18.958 ( -0.461 0.458 -0.317) 0.723 19.229 ( 0.189 0.031 0.558) 0.590 19.293 ( 0.384 0.451 -0.226) 0.634 19.439 ( -0.222 -0.008 0.599) 0.639 19.513 ( -0.070 0.072 -0.353) 0.367 41.864 ( 0.141 0.474 0.343) 0.602 41.891 ( -0.145 0.264 0.231) 0.379 41.959 ( 0.484 0.497 -0.677) 0.969 42.005 ( 0.571 0.282 -0.127) 0.649 42.056 ( -0.657 -0.276 0.100) 0.719 42.097 ( -0.200 -1.531 0.992) 1.835 65.662 ( -2.349 0.283 3.479) 4.207 65.682 ( -0.772 -0.817 0.539) 1.247 66.196 ( -0.554 -0.041 1.978) 2.055 66.480 ( -2.657 -2.992 0.028) 4.002 66.817 ( -11.310 -18.143 -8.844) 23.137 68.013 ( 24.106 7.006 4.192) 25.451 ======================= Grid point 79 (33/114) ======================= q-point: (-0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -1.056 -0.663 -0.454) 1.327 1.244 ( 1.853 0.637 1.075) 2.235 1.292 ( 0.960 1.367 0.583) 1.769 1.400 ( -0.014 -0.988 -2.995) 3.154 1.489 ( -5.570 8.854 6.720) 12.433 1.778 ( -0.224 0.140 4.059) 4.068 1.864 ( -6.259 5.319 -9.893) 12.858 2.152 ( 5.275 4.267 -4.450) 8.114 2.317 ( 2.709 1.549 5.715) 6.512 2.446 ( -1.729 3.556 -1.511) 4.233 2.599 ( 4.241 -2.910 2.635) 5.779 2.712 ( 4.968 2.013 -1.453) 5.553 2.934 ( 3.437 -1.845 -0.890) 4.001 3.076 ( 1.593 -10.193 0.759) 10.344 3.328 ( -2.709 -5.558 0.094) 6.184 3.411 ( -0.916 -2.036 -1.551) 2.719 3.485 ( 3.087 4.395 0.358) 5.383 3.671 ( -0.602 2.639 -4.458) 5.215 3.743 ( 2.146 -5.485 4.643) 7.500 3.776 ( -4.234 0.831 -0.338) 4.328 4.181 ( -4.066 6.059 -3.348) 8.028 4.257 ( -3.221 1.659 -1.839) 4.064 4.354 ( -2.030 -1.768 0.704) 2.783 4.490 ( 3.245 1.882 -1.300) 3.970 4.775 ( 1.758 0.504 -1.840) 2.594 4.844 ( 1.056 3.291 2.333) 4.170 5.045 ( -0.417 -4.221 5.027) 6.577 5.153 ( 5.670 -3.128 2.200) 6.839 5.287 ( -3.525 2.662 1.420) 4.640 5.308 ( 4.696 4.121 -0.043) 6.248 5.349 ( -6.676 -0.535 2.196) 7.048 5.596 ( 2.598 -4.700 -3.462) 6.390 5.632 ( -0.674 1.503 0.123) 1.652 5.827 ( -2.173 0.028 -0.375) 2.205 6.048 ( 3.877 3.671 -0.513) 5.364 6.094 ( -2.465 3.491 4.546) 6.240 6.208 ( -0.458 0.115 2.150) 2.202 6.401 ( 5.614 -7.545 4.565) 10.454 6.892 ( 3.212 1.724 2.529) 4.436 7.105 ( -5.302 0.797 -7.491) 9.212 7.169 ( 0.477 -6.190 -3.478) 7.116 7.833 ( -1.721 2.957 1.639) 3.794 18.565 ( 0.320 0.049 0.214) 0.388 18.614 ( 0.035 -0.137 -1.436) 1.443 18.632 ( 0.143 -0.116 0.386) 0.428 18.674 ( -1.035 -0.168 0.868) 1.361 18.698 ( -0.899 0.256 -0.998) 1.367 18.747 ( 0.760 -0.115 -0.151) 0.784 18.918 ( -0.220 -0.118 0.395) 0.467 18.948 ( -0.339 0.070 -0.139) 0.374 19.239 ( 0.637 0.059 0.678) 0.932 19.290 ( 0.447 0.489 -0.366) 0.756 19.441 ( -0.305 -0.056 0.714) 0.779 19.506 ( -0.337 0.036 -0.495) 0.600 41.864 ( 0.332 0.564 0.489) 0.817 41.887 ( -0.098 0.277 0.014) 0.294 41.955 ( 0.731 0.296 -0.974) 1.253 42.007 ( 0.177 0.040 -0.142) 0.231 42.052 ( -0.372 -0.151 0.010) 0.401 42.120 ( -0.656 -1.261 1.624) 2.158 65.667 ( 0.268 0.308 2.439) 2.473 65.735 ( 4.438 -2.572 1.305) 5.293 66.213 ( -2.212 -1.264 4.370) 5.058 66.474 ( -5.028 -4.044 1.027) 6.534 66.764 ( -14.259 -12.759 -7.542) 20.567 68.266 ( 24.167 9.053 0.724) 25.817 ======================= Grid point 80 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( -2.927 2.892 0.314) 4.127 1.180 ( -3.827 13.822 0.063) 14.342 1.253 ( 0.432 2.336 0.343) 2.400 1.331 ( -3.524 2.186 1.578) 4.437 1.434 ( -0.756 2.047 2.046) 2.992 1.531 ( -9.304 9.447 -4.809) 14.104 1.864 ( 1.695 4.744 0.481) 5.061 1.982 ( -1.324 10.550 -1.105) 10.690 2.389 ( -0.222 1.711 -0.422) 1.776 2.417 ( 2.099 -0.412 2.467) 3.265 2.756 ( 1.350 -8.433 2.510) 8.902 2.773 ( 6.816 0.712 -0.993) 6.925 2.965 ( 4.911 0.331 -7.500) 8.971 3.178 ( 0.148 -5.300 -1.138) 5.423 3.327 ( -2.617 0.942 2.697) 3.874 3.418 ( -1.625 -1.466 -2.016) 2.975 3.525 ( 2.458 -3.298 6.312) 7.534 3.604 ( -1.239 -0.218 -6.031) 6.161 3.766 ( 0.826 -0.350 0.966) 1.318 3.874 ( -1.372 -6.267 6.308) 8.997 3.983 ( -4.803 9.019 -2.384) 10.493 4.168 ( -2.611 2.638 -3.251) 4.934 4.356 ( -1.033 -1.242 -0.240) 1.633 4.505 ( 5.014 3.144 -0.874) 5.983 4.758 ( 0.236 2.316 -0.903) 2.497 4.842 ( 1.828 2.060 1.486) 3.129 5.058 ( -6.108 5.960 4.890) 9.836 5.135 ( -4.739 3.078 4.191) 7.035 5.242 ( -2.739 1.353 -0.588) 3.111 5.322 ( 5.649 -1.614 1.855) 6.161 5.418 ( 2.535 -7.884 -2.639) 8.692 5.570 ( -1.537 0.044 -4.994) 5.225 5.674 ( 2.289 -1.424 0.454) 2.734 5.822 ( -0.342 -2.402 -1.212) 2.712 6.012 ( -2.903 1.664 4.009) 5.222 6.106 ( 3.711 2.865 0.976) 4.789 6.223 ( -0.100 -1.067 1.248) 1.645 6.640 ( 9.361 -7.553 4.880) 12.981 6.949 ( 4.053 1.514 3.718) 5.705 6.980 ( -3.547 -0.737 -7.681) 8.492 7.181 ( -3.195 -2.545 -4.407) 6.008 7.809 ( -0.508 -0.370 1.150) 1.311 18.571 ( 0.373 0.101 0.235) 0.452 18.606 ( 0.091 -0.172 -1.323) 1.337 18.640 ( 0.038 -0.113 0.795) 0.804 18.668 ( -0.951 -0.197 0.610) 1.147 18.677 ( -0.644 0.235 -0.697) 0.978 18.755 ( 0.515 -0.125 -0.256) 0.589 18.920 ( -0.237 -0.224 0.297) 0.440 18.943 ( -0.340 -0.142 -0.165) 0.404 19.253 ( 0.666 0.051 0.604) 0.900 19.288 ( 0.525 0.440 -0.443) 0.816 19.443 ( -0.456 -0.118 0.788) 0.918 19.497 ( -0.365 -0.012 -0.523) 0.638 41.868 ( 0.421 0.284 0.508) 0.719 41.881 ( -0.136 0.206 -0.352) 0.430 41.956 ( 0.882 0.095 -0.961) 1.307 42.005 ( -0.508 -0.198 -0.072) 0.550 42.052 ( 0.319 0.041 -0.117) 0.342 42.132 ( -1.114 -0.389 1.809) 2.160 65.700 ( 3.088 -0.154 0.225) 3.100 65.887 ( 9.248 -4.172 2.763) 10.515 66.225 ( -4.589 -1.460 5.824) 7.557 66.456 ( -6.111 -3.710 1.325) 7.270 66.628 ( -15.339 -7.255 -4.809) 17.637 68.467 ( 23.869 9.693 -5.453) 26.333 ======================= Grid point 81 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -4.453 9.045 5.162) 11.327 0.902 ( -4.531 21.157 2.056) 21.734 1.237 ( 0.687 1.296 -0.436) 1.531 1.254 ( -2.928 8.404 5.412) 10.416 1.310 ( -4.012 9.875 2.500) 10.948 1.419 ( -0.869 0.677 1.683) 2.012 1.727 ( -0.628 8.975 -0.255) 9.000 1.961 ( -1.208 -1.241 2.335) 2.907 2.355 ( -0.745 1.163 -2.848) 3.165 2.427 ( -0.911 1.955 1.323) 2.530 2.805 ( 3.323 -2.507 -6.133) 7.412 2.886 ( 0.656 -3.676 2.757) 4.641 2.952 ( 5.778 3.193 -8.113) 10.460 3.185 ( -4.699 -1.132 -1.333) 5.013 3.297 ( -1.435 -0.097 0.553) 1.541 3.400 ( 2.090 1.596 -2.442) 3.589 3.538 ( -1.841 1.610 -4.001) 4.689 3.681 ( 2.852 -3.029 8.840) 9.770 3.764 ( 0.225 4.278 0.859) 4.369 3.803 ( -2.163 4.587 0.717) 5.121 3.952 ( -3.777 1.799 5.985) 7.303 4.133 ( 0.963 -4.603 -1.937) 5.086 4.364 ( 0.085 -2.073 1.174) 2.384 4.539 ( 5.641 2.548 -0.772) 6.238 4.703 ( -1.320 2.817 -2.794) 4.181 4.859 ( -1.591 1.277 2.496) 3.224 4.916 ( -3.697 4.282 3.758) 6.792 5.086 ( -2.799 1.319 -0.083) 3.096 5.180 ( -4.294 -1.142 -0.397) 4.461 5.427 ( 3.881 -0.626 -0.207) 3.937 5.513 ( -1.297 0.348 -2.155) 2.539 5.532 ( 4.871 -5.890 -2.790) 8.137 5.721 ( 0.538 -2.582 1.140) 2.874 5.840 ( 0.681 -1.956 -1.193) 2.390 6.011 ( -1.922 -0.496 5.192) 5.558 6.111 ( 1.032 0.990 -3.002) 3.325 6.250 ( -0.093 -1.678 1.409) 2.193 6.828 ( -2.317 -4.542 -12.754) 13.736 6.903 ( 4.103 -0.911 2.413) 4.847 7.078 ( 7.777 -0.089 8.330) 11.396 7.081 ( -4.049 1.055 -3.313) 5.337 7.839 ( -0.550 -3.621 0.402) 3.685 18.575 ( 0.175 0.116 0.113) 0.238 18.601 ( 0.381 -0.092 -0.981) 1.056 18.647 ( -0.307 -0.035 1.159) 1.200 18.662 ( -0.150 0.090 -0.168) 0.242 18.667 ( -0.571 -0.244 0.434) 0.758 18.760 ( 0.348 -0.122 -0.282) 0.464 18.921 ( -0.234 -0.292 0.174) 0.412 18.938 ( -0.249 -0.077 -0.183) 0.319 19.263 ( 0.196 0.022 0.339) 0.393 19.287 ( 0.485 0.341 -0.426) 0.730 19.444 ( -0.641 -0.228 0.809) 1.057 19.490 ( -0.055 -0.051 -0.394) 0.401 41.875 ( -0.252 -0.233 -0.379) 0.512 41.876 ( 0.399 0.044 0.406) 0.571 41.962 ( 0.820 -0.089 -0.725) 1.098 41.997 ( -0.714 -0.060 -0.290) 0.773 42.058 ( 0.664 0.054 -0.056) 0.668 42.126 ( -1.428 0.645 1.328) 2.055 65.754 ( 4.299 -0.589 -1.302) 4.530 66.128 ( 12.972 -4.573 3.469) 14.185 66.210 ( -6.155 -2.329 4.703) 8.089 66.374 ( -11.732 -2.381 -3.797) 12.559 66.506 ( -7.773 -2.318 4.955) 9.504 68.558 ( 19.156 11.505 -19.861) 29.896 ======================= Grid point 82 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -0.771 18.008 4.130) 18.492 0.707 ( 1.053 11.564 14.018) 18.203 1.074 ( -8.405 16.130 15.655) 23.998 1.222 ( -0.524 0.549 -1.820) 1.972 1.317 ( 9.565 3.947 8.533) 13.412 1.427 ( 0.247 -0.211 2.269) 2.292 1.662 ( -1.208 2.952 2.943) 4.340 1.968 ( -1.712 -1.183 0.510) 2.142 2.289 ( -1.711 0.760 -5.856) 6.147 2.394 ( -0.135 3.087 1.506) 3.438 2.826 ( 3.948 0.114 -6.659) 7.742 2.899 ( -1.158 1.195 -1.641) 2.337 2.950 ( 3.603 -1.851 -4.817) 6.294 3.085 ( -4.199 0.994 -2.427) 4.950 3.313 ( 0.516 -1.367 1.308) 1.961 3.404 ( 4.083 1.550 -3.558) 5.633 3.441 ( -2.398 5.492 -1.094) 6.092 3.668 ( -0.561 3.837 -1.400) 4.123 3.704 ( 0.226 6.675 1.037) 6.759 3.873 ( -4.489 3.759 2.054) 6.205 3.931 ( 6.277 -4.679 9.789) 12.535 4.216 ( 0.294 -4.957 0.744) 5.021 4.429 ( 2.491 -1.039 1.792) 3.240 4.541 ( -1.732 1.191 -2.886) 3.570 4.660 ( 0.880 0.958 -0.103) 1.305 4.848 ( 2.014 -2.854 6.552) 7.426 4.912 ( 0.257 -0.881 -1.742) 1.969 5.039 ( -2.458 0.582 0.316) 2.546 5.147 ( -5.383 -3.902 1.299) 6.774 5.427 ( -0.651 -0.463 -5.799) 5.854 5.461 ( 0.061 4.636 0.010) 4.636 5.674 ( 6.581 -3.954 0.379) 7.687 5.776 ( 0.277 -3.882 0.996) 4.017 5.865 ( 1.712 -0.322 -0.939) 1.979 5.993 ( -3.479 3.101 -3.556) 5.862 6.097 ( -0.291 -2.288 1.238) 2.618 6.279 ( -0.745 -1.654 1.988) 2.691 6.592 ( -13.743 5.385 -14.443) 20.651 6.907 ( -2.767 2.093 -2.803) 4.460 7.000 ( 1.365 1.993 -3.445) 4.207 7.376 ( 11.067 -7.052 12.432) 18.077 7.862 ( -2.979 -3.861 -1.209) 5.025 18.573 ( -0.225 0.149 -0.070) 0.279 18.606 ( 1.133 -0.239 -0.702) 1.354 18.647 ( -0.671 0.012 0.645) 0.931 18.664 ( 0.690 0.186 -0.001) 0.714 18.677 ( -0.278 -1.006 1.651) 1.953 18.764 ( 0.214 -0.107 -0.271) 0.362 18.922 ( -0.333 -0.251 0.062) 0.422 18.943 ( 0.940 -0.607 0.207) 1.138 19.262 ( -0.537 0.007 0.038) 0.539 19.286 ( 0.266 0.213 -0.329) 0.474 19.444 ( -0.833 -0.375 0.778) 1.200 19.491 ( 0.439 -0.069 -0.184) 0.481 41.874 ( -0.365 -0.534 -0.014) 0.647 41.884 ( 0.363 -0.194 0.177) 0.448 41.969 ( 0.545 -0.299 -0.335) 0.706 41.986 ( -0.358 0.052 -0.493) 0.612 42.065 ( 0.510 0.094 0.004) 0.519 42.099 ( -1.430 1.408 0.444) 2.055 65.803 ( 2.520 -0.779 -1.175) 2.887 66.132 ( -10.213 -3.457 -6.834) 12.766 66.203 ( -7.552 2.218 5.704) 9.721 66.394 ( 5.337 -3.416 3.799) 7.388 66.564 ( 8.350 -2.650 8.453) 12.174 68.223 ( -1.580 31.523 -41.288) 51.970 ======================= Grid point 85 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 1.414 0.000 1.480) 2.047 1.144 ( 5.067 0.000 3.539) 6.181 1.233 ( 6.931 0.000 0.717) 6.968 1.333 ( 3.289 0.000 2.002) 3.850 1.598 ( 1.632 0.000 9.607) 9.745 1.775 ( -4.890 -0.000 2.773) 5.621 1.836 ( 12.091 0.000 5.983) 13.490 2.146 ( 5.906 0.000 -14.645) 15.791 2.346 ( 1.320 0.000 -1.032) 1.675 2.408 ( -6.360 -0.000 2.001) 6.668 2.655 ( 8.035 0.000 13.556) 15.758 2.697 ( -8.580 -0.000 -0.775) 8.615 2.913 ( -0.885 -0.000 -10.528) 10.565 2.948 ( 1.293 0.000 -1.769) 2.191 3.195 ( -1.005 -0.000 0.020) 1.005 3.420 ( -0.212 -0.000 -2.618) 2.626 3.504 ( 1.395 0.000 0.942) 1.683 3.674 ( 4.200 0.000 -4.244) 5.971 3.823 ( -1.908 -0.000 -3.982) 4.415 3.942 ( 6.836 0.000 0.953) 6.902 4.128 ( 1.612 0.000 5.594) 5.821 4.364 ( -0.411 -0.000 1.544) 1.598 4.397 ( -2.619 -0.000 -5.035) 5.675 4.521 ( 0.850 0.000 0.704) 1.104 4.556 ( 1.580 0.000 2.761) 3.181 4.856 ( 1.494 0.000 0.939) 1.765 4.899 ( -6.994 -0.000 0.909) 7.053 4.986 ( 6.696 0.000 3.348) 7.487 5.273 ( -1.683 -0.000 -1.022) 1.969 5.324 ( 8.986 0.000 -4.504) 10.051 5.481 ( -1.108 -0.000 -7.067) 7.154 5.586 ( -4.804 -0.000 3.123) 5.730 5.654 ( -3.348 -0.000 4.556) 5.654 5.851 ( 2.017 0.000 0.820) 2.177 6.098 ( 4.074 0.000 0.509) 4.105 6.109 ( -0.872 -0.000 2.316) 2.475 6.222 ( -2.573 -0.000 2.380) 3.505 6.235 ( -2.729 -0.000 7.883) 8.342 6.928 ( 5.537 0.000 -1.967) 5.876 6.962 ( 0.661 0.000 0.615) 0.903 7.321 ( -9.634 -0.000 -8.322) 12.731 7.924 ( -1.965 -0.000 3.905) 4.372 18.560 ( 0.161 0.000 0.170) 0.234 18.622 ( -0.070 -0.000 -0.916) 0.919 18.627 ( 0.332 0.000 -0.608) 0.693 18.679 ( -1.128 -0.000 0.993) 1.503 18.724 ( -0.675 -0.000 -0.984) 1.193 18.734 ( 0.699 0.000 0.044) 0.700 18.916 ( -0.198 -0.000 0.370) 0.420 18.965 ( -0.805 -0.000 -0.489) 0.942 19.229 ( 0.216 0.000 0.559) 0.599 19.300 ( 0.478 0.000 -0.338) 0.586 19.439 ( -0.262 -0.000 0.629) 0.681 19.514 ( -0.112 -0.000 -0.298) 0.318 41.869 ( 0.198 0.000 0.241) 0.312 41.894 ( -0.138 -0.000 0.155) 0.208 41.972 ( 0.679 0.000 -0.067) 0.682 42.009 ( 0.341 0.000 0.279) 0.441 42.053 ( -0.469 -0.000 0.128) 0.487 42.070 ( -0.434 -0.000 -0.059) 0.438 65.660 ( -0.339 -0.000 -0.515) 0.617 65.675 ( -4.241 -0.000 4.925) 6.500 66.221 ( -2.369 -0.000 1.629) 2.875 66.461 ( 0.815 0.000 -2.592) 2.717 66.509 ( -6.943 -0.000 -5.084) 8.606 68.097 ( 23.251 0.000 4.040) 23.599 ======================= Grid point 86 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 0.790 -0.586 0.175) 0.999 1.225 ( 1.718 -1.045 2.176) 2.963 1.292 ( 1.744 -0.448 -1.101) 2.110 1.384 ( 3.574 -0.026 -1.592) 3.912 1.668 ( -3.385 4.951 7.310) 9.455 1.745 ( -0.501 -1.933 7.570) 7.829 1.981 ( 2.556 1.957 -11.002) 11.464 2.168 ( 12.345 3.040 2.882) 13.036 2.370 ( 0.479 1.398 1.201) 1.904 2.391 ( 1.637 -4.195 0.088) 4.504 2.596 ( -7.352 -6.141 -0.989) 9.630 2.774 ( 1.462 3.822 -2.758) 4.935 2.857 ( 1.044 -1.751 -1.897) 2.785 2.984 ( 4.529 0.945 6.995) 8.387 3.218 ( 1.539 -0.742 2.865) 3.335 3.377 ( -2.941 -1.006 -1.768) 3.576 3.552 ( -1.586 -6.057 -1.407) 6.417 3.645 ( 2.187 4.326 -3.656) 6.072 3.770 ( 0.348 0.748 -1.734) 1.920 3.911 ( -1.422 11.305 -1.704) 11.520 4.211 ( -1.294 -2.845 3.085) 4.391 4.319 ( 2.111 2.206 -2.787) 4.134 4.375 ( -1.263 2.829 2.267) 3.839 4.559 ( 5.190 4.169 -0.076) 6.657 4.663 ( 3.799 -8.369 0.886) 9.234 4.829 ( -2.693 -6.749 0.480) 7.282 4.929 ( 0.920 -0.555 2.153) 2.407 5.096 ( 4.094 -0.746 2.158) 4.688 5.251 ( -1.091 -1.559 0.041) 1.903 5.352 ( 2.095 3.343 -6.742) 7.811 5.462 ( 2.719 -0.006 -3.936) 4.784 5.530 ( -1.451 -0.519 1.280) 2.003 5.663 ( -0.912 1.119 5.313) 5.505 5.830 ( -5.461 0.005 -0.134) 5.463 6.112 ( 1.883 1.197 -0.692) 2.336 6.140 ( -1.148 -1.783 0.567) 2.195 6.209 ( -0.602 0.938 2.503) 2.740 6.290 ( 0.883 -0.095 10.000) 10.040 6.944 ( 2.755 2.660 1.114) 3.988 7.034 ( 2.470 -4.552 -1.565) 5.410 7.126 ( -7.414 0.683 -8.290) 11.143 7.896 ( -3.383 1.636 1.559) 4.069 18.565 ( 0.349 0.007 0.256) 0.433 18.612 ( 0.016 -0.044 -1.489) 1.490 18.630 ( 0.176 -0.043 0.310) 0.359 18.671 ( -1.018 -0.046 0.872) 1.341 18.703 ( -0.913 0.116 -0.985) 1.348 18.745 ( 0.719 -0.034 -0.062) 0.722 18.916 ( -0.303 -0.044 0.372) 0.482 18.951 ( -0.644 0.119 -0.215) 0.689 19.240 ( 0.665 0.032 0.667) 0.943 19.301 ( 0.539 0.305 -0.534) 0.817 19.440 ( -0.343 -0.007 0.756) 0.830 19.507 ( -0.399 0.047 -0.417) 0.579 41.874 ( 0.370 0.184 0.272) 0.495 41.892 ( -0.211 0.105 0.161) 0.285 41.975 ( 0.842 1.104 -0.231) 1.408 42.015 ( 0.434 0.131 0.006) 0.454 42.044 ( -0.746 -0.003 0.022) 0.746 42.077 ( -0.541 -1.792 0.524) 1.944 65.671 ( -0.905 0.065 3.305) 3.427 65.684 ( 2.660 -1.262 0.690) 3.024 66.177 ( -5.517 0.541 3.558) 6.587 66.427 ( -5.984 -6.107 -3.201) 9.129 66.472 ( -2.171 -4.053 -2.034) 5.027 68.402 ( 20.721 2.578 0.351) 20.883 ======================= Grid point 87 (39/114) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 0.962 0.538 0.922) 1.437 1.257 ( -0.219 -1.455 0.212) 1.486 1.287 ( -1.175 -0.428 -1.519) 1.967 1.396 ( 1.796 2.008 -2.565) 3.720 1.573 ( -5.642 6.993 7.035) 11.412 1.789 ( -1.842 9.393 -4.253) 10.474 1.853 ( -0.067 -0.343 3.496) 3.514 2.256 ( 4.943 4.681 -3.545) 7.675 2.401 ( 2.408 -0.555 0.537) 2.529 2.455 ( 1.451 1.372 0.942) 2.208 2.582 ( -1.430 -4.067 -0.744) 4.375 2.813 ( 5.555 1.421 2.856) 6.405 2.863 ( 1.166 -6.169 -4.424) 7.680 3.107 ( 2.283 -1.701 7.114) 7.662 3.288 ( 2.288 -2.264 2.265) 3.936 3.383 ( 1.362 -2.152 1.876) 3.163 3.545 ( -3.857 -3.684 -5.318) 7.532 3.607 ( 2.624 5.463 -2.830) 6.688 3.706 ( -6.698 3.901 0.250) 7.755 3.797 ( 2.710 0.121 1.549) 3.124 4.150 ( -6.070 4.236 0.677) 7.432 4.297 ( 1.656 4.505 -1.630) 5.069 4.356 ( 1.346 2.130 0.428) 2.555 4.593 ( 6.540 4.227 1.184) 7.877 4.766 ( 1.241 -2.865 -2.012) 3.714 4.893 ( 0.096 0.753 1.090) 1.329 4.985 ( -0.853 -7.571 2.202) 7.931 5.152 ( -1.290 -4.434 -2.473) 5.238 5.241 ( -2.091 1.584 -3.447) 4.331 5.290 ( 1.151 0.660 3.731) 3.960 5.437 ( 1.761 2.865 -0.949) 3.494 5.571 ( 0.817 -0.407 -4.926) 5.010 5.672 ( 2.386 2.177 4.182) 5.284 5.759 ( -5.128 -2.116 0.008) 5.548 6.056 ( -5.333 1.533 2.194) 5.967 6.177 ( 1.282 -0.688 -0.058) 1.456 6.207 ( 0.318 1.836 1.349) 2.300 6.435 ( 5.804 -6.341 5.044) 9.966 6.949 ( -3.373 -0.850 -4.418) 5.623 6.997 ( 2.204 1.517 0.189) 2.682 7.103 ( 0.323 -3.165 -1.288) 3.433 7.831 ( -3.145 1.630 -0.296) 3.555 18.573 ( 0.375 0.048 0.278) 0.469 18.602 ( 0.130 -0.094 -1.274) 1.284 18.637 ( 0.137 -0.075 0.720) 0.737 18.665 ( -0.919 -0.080 0.691) 1.153 18.683 ( -0.625 0.202 -0.762) 1.006 18.753 ( 0.474 -0.069 -0.157) 0.504 18.915 ( -0.323 -0.134 0.260) 0.436 18.942 ( -0.426 0.016 -0.099) 0.438 19.255 ( 0.677 0.059 0.581) 0.894 19.300 ( 0.595 0.444 -0.647) 0.985 19.441 ( -0.452 -0.022 0.818) 0.935 19.497 ( -0.411 0.052 -0.458) 0.617 41.878 ( 0.380 0.377 0.159) 0.558 41.888 ( -0.218 0.230 0.055) 0.322 41.970 ( 0.979 1.063 -0.591) 1.561 42.012 ( -0.091 0.751 -0.180) 0.777 42.043 ( -0.132 -0.778 -0.014) 0.790 42.099 ( -0.975 -2.065 1.159) 2.561 65.696 ( 1.876 -0.159 0.952) 2.110 65.785 ( 6.270 -3.663 1.858) 7.496 66.126 ( -7.824 -3.358 2.783) 8.958 66.382 ( -11.243 -8.766 -2.698) 14.510 66.487 ( 0.457 0.674 3.881) 3.965 68.612 ( 17.124 3.255 -4.506) 18.004 ======================= Grid point 88 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -0.170 3.388 2.342) 4.122 1.250 ( 0.212 2.208 -2.548) 3.378 1.267 ( -1.352 -0.207 -0.528) 1.466 1.334 ( -1.766 5.485 1.088) 5.865 1.484 ( -3.290 4.495 4.787) 7.345 1.593 ( 0.231 14.369 1.636) 14.464 1.899 ( -1.544 -1.874 3.439) 4.210 2.148 ( 3.028 15.433 -4.730) 16.423 2.392 ( -0.379 2.333 -1.528) 2.815 2.454 ( 0.364 0.106 0.748) 0.839 2.650 ( -0.879 -7.282 -1.935) 7.585 2.875 ( 3.799 -0.252 3.821) 5.394 2.942 ( 3.547 -4.252 -8.211) 9.903 3.192 ( 2.203 0.133 3.774) 4.372 3.319 ( -2.307 4.434 0.476) 5.021 3.400 ( 0.177 -0.700 -3.348) 3.425 3.495 ( -1.069 -0.270 -2.124) 2.393 3.592 ( 2.757 -2.889 7.358) 8.371 3.752 ( -1.178 -10.255 4.729) 11.354 3.827 ( -0.060 -0.062 0.082) 0.119 4.035 ( -3.289 5.586 4.096) 7.668 4.201 ( 1.169 9.282 -4.448) 10.358 4.352 ( -0.308 0.376 0.897) 1.020 4.641 ( 7.839 5.280 -0.459) 9.463 4.757 ( -0.676 1.362 -3.150) 3.498 4.875 ( -0.714 0.848 0.252) 1.137 5.026 ( -6.894 -2.151 -2.790) 7.742 5.059 ( -3.812 0.690 0.654) 3.929 5.222 ( -4.061 1.111 2.168) 4.736 5.386 ( 6.986 -4.840 0.146) 8.501 5.436 ( 2.634 3.534 0.044) 4.408 5.512 ( -0.773 -0.931 -3.732) 3.923 5.690 ( -1.936 0.948 1.691) 2.740 5.766 ( 1.650 -3.625 -1.910) 4.417 6.000 ( -5.027 -0.191 4.572) 6.798 6.175 ( 1.040 3.285 -2.011) 3.989 6.204 ( -0.923 -1.965 0.531) 2.235 6.625 ( 2.665 -10.348 -5.522) 12.028 6.897 ( 1.127 -0.054 0.479) 1.225 7.071 ( 3.286 -0.855 4.320) 5.495 7.096 ( -1.220 0.211 -1.096) 1.653 7.782 ( -1.800 -0.631 -1.417) 2.377 18.577 ( 0.143 0.084 0.169) 0.237 18.598 ( 0.420 -0.095 -0.938) 1.032 18.646 ( -0.107 -0.045 1.148) 1.154 18.660 ( -0.635 -0.125 0.471) 0.800 18.671 ( -0.087 0.248 -0.387) 0.468 18.758 ( 0.297 -0.099 -0.204) 0.373 18.915 ( -0.277 -0.240 0.101) 0.380 18.936 ( -0.232 -0.051 -0.121) 0.266 19.264 ( 0.208 0.063 0.316) 0.384 19.297 ( 0.550 0.452 -0.629) 0.950 19.441 ( -0.545 -0.031 0.771) 0.945 19.490 ( -0.086 0.024 -0.361) 0.372 41.876 ( -0.017 0.358 -0.463) 0.585 41.883 ( 0.076 0.348 0.232) 0.425 41.968 ( 1.131 0.675 -0.746) 1.514 41.997 ( -0.624 0.342 -0.240) 0.751 42.054 ( 0.530 -0.504 0.035) 0.732 42.114 ( -1.483 -1.490 1.390) 2.521 65.737 ( 3.225 -0.614 -0.854) 3.392 65.975 ( 8.603 -6.901 2.326) 11.272 66.087 ( -7.157 -5.257 1.116) 8.950 66.289 ( -12.432 -6.219 -1.544) 13.987 66.525 ( 0.659 3.259 9.641) 10.198 68.711 ( 11.198 3.190 -11.674) 16.488 ======================= Grid point 89 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.136 5.662 3.754) 6.795 1.122 ( -0.681 15.087 2.110) 15.249 1.238 ( -0.398 1.312 -1.853) 2.305 1.306 ( -1.211 0.737 1.522) 2.080 1.435 ( -0.908 3.577 3.273) 4.933 1.517 ( 6.044 11.119 8.366) 15.170 1.898 ( -1.514 3.597 1.024) 4.035 1.959 ( 1.063 12.532 1.268) 12.641 2.330 ( -0.736 2.646 -4.765) 5.499 2.453 ( -0.332 1.154 1.446) 1.879 2.703 ( -0.152 -7.036 -3.981) 8.085 2.934 ( 2.813 -0.200 -7.346) 7.869 2.936 ( -0.829 -1.973 -4.220) 4.732 3.172 ( 0.021 8.796 1.680) 8.955 3.268 ( -1.319 -2.534 2.021) 3.500 3.411 ( 0.983 -3.335 -2.790) 4.458 3.482 ( -1.552 -0.043 0.701) 1.704 3.722 ( -2.070 -1.537 3.106) 4.037 3.807 ( 1.741 0.549 1.829) 2.585 3.906 ( 2.055 -1.034 6.422) 6.822 3.988 ( -0.619 3.210 5.953) 6.791 4.117 ( 2.698 2.333 -0.398) 3.589 4.372 ( 0.699 -2.180 2.926) 3.715 4.631 ( 1.844 6.941 -6.370) 9.600 4.695 ( 1.618 2.156 -0.846) 2.825 4.851 ( -4.522 0.903 3.139) 5.579 4.911 ( -1.615 0.793 -3.091) 3.577 5.030 ( -3.404 -1.304 -1.144) 3.820 5.156 ( -2.221 2.837 -0.231) 3.611 5.404 ( -2.198 0.025 -0.860) 2.360 5.506 ( 3.537 -0.815 -4.672) 5.916 5.564 ( 3.983 -5.131 2.686) 7.029 5.687 ( -1.212 -2.799 1.769) 3.526 5.815 ( 2.613 -2.116 -1.898) 3.860 5.993 ( -4.012 -1.909 5.604) 7.152 6.107 ( -0.673 3.132 -4.617) 5.620 6.228 ( -0.576 -2.474 0.755) 2.650 6.604 ( -6.135 -4.097 -12.617) 14.616 6.958 ( -0.128 1.370 -0.594) 1.499 7.026 ( 0.734 0.734 -0.043) 1.039 7.246 ( 7.357 -4.079 9.218) 12.479 7.768 ( -1.855 -2.938 -2.512) 4.288 18.576 ( -0.235 0.107 -0.024) 0.260 18.602 ( 0.844 -0.130 -0.673) 1.087 18.648 ( -0.726 0.029 0.725) 1.027 18.664 ( -0.015 -0.272 1.157) 1.189 18.669 ( 0.627 0.268 -0.015) 0.683 18.760 ( 0.154 -0.134 -0.246) 0.320 18.915 ( -0.253 -0.303 -0.021) 0.396 18.935 ( 0.127 -0.161 -0.120) 0.237 19.263 ( -0.505 0.052 0.020) 0.508 19.293 ( 0.313 0.403 -0.498) 0.713 19.439 ( -0.554 -0.046 0.649) 0.855 19.490 ( 0.418 -0.027 -0.186) 0.458 41.865 ( -0.359 0.083 -0.511) 0.630 41.885 ( 0.261 0.112 0.195) 0.345 41.971 ( 1.032 0.442 -0.643) 1.294 41.984 ( -0.543 0.010 -0.547) 0.770 42.068 ( 0.668 -0.127 0.228) 0.717 42.114 ( -1.733 -0.395 1.090) 2.085 65.777 ( 1.664 -1.194 -1.076) 2.314 66.017 ( -7.858 -5.267 -4.123) 10.319 66.161 ( -10.010 -5.854 3.261) 12.046 66.296 ( 13.166 -5.176 2.666) 14.396 66.578 ( 1.341 3.829 12.574) 13.212 68.611 ( 0.419 7.082 -22.072) 23.184 ======================= Grid point 90 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 5.304 7.842 1.746) 9.627 0.975 ( 2.568 14.265 7.000) 16.096 1.172 ( -3.757 3.659 -0.425) 5.262 1.247 ( -2.136 6.794 4.036) 8.186 1.448 ( 1.815 0.378 2.715) 3.287 1.587 ( 8.437 6.395 5.803) 12.073 1.835 ( 4.110 7.981 8.593) 12.427 1.922 ( -1.300 0.496 2.766) 3.096 2.246 ( 0.510 2.831 -6.562) 7.165 2.448 ( 0.503 1.827 1.946) 2.716 2.751 ( -0.265 -7.028 -5.729) 9.071 2.852 ( -6.027 2.279 -3.310) 7.244 2.908 ( 1.579 -4.338 -11.026) 11.953 3.094 ( 0.191 7.352 2.922) 7.914 3.308 ( -0.040 -2.263 2.276) 3.210 3.435 ( 4.120 1.346 -6.242) 7.599 3.459 ( -1.351 1.797 1.700) 2.818 3.642 ( -3.144 1.205 -3.428) 4.805 3.788 ( -4.820 4.598 2.193) 7.013 3.953 ( 4.599 4.969 5.585) 8.777 4.070 ( 4.715 -1.602 6.157) 7.919 4.195 ( 3.471 -1.859 3.372) 5.184 4.460 ( -1.875 -3.666 -0.004) 4.118 4.491 ( 0.735 4.560 -1.693) 4.919 4.713 ( 3.172 3.617 -0.036) 4.811 4.840 ( -0.427 -5.392 0.552) 5.437 4.907 ( 1.244 -0.898 2.444) 2.886 4.970 ( -5.508 -0.119 -0.854) 5.575 5.112 ( -0.125 0.608 -0.261) 0.673 5.359 ( -2.979 -0.202 -1.777) 3.474 5.483 ( -1.121 0.607 -5.491) 5.637 5.687 ( 0.780 -5.520 2.022) 5.931 5.734 ( 1.408 -3.642 -2.625) 4.705 5.869 ( 2.762 -0.253 2.583) 3.790 5.976 ( -1.217 2.923 -1.034) 3.331 6.077 ( -1.198 -3.360 3.840) 5.241 6.252 ( -2.173 -2.376 1.514) 3.559 6.393 ( -8.164 4.500 -13.338) 16.273 6.863 ( -3.588 2.445 -1.974) 4.770 7.055 ( 3.662 3.087 -1.214) 4.941 7.488 ( 4.941 -7.419 9.179) 12.794 7.749 ( -2.848 -3.079 -3.320) 5.349 18.569 ( -0.404 0.121 -0.087) 0.430 18.613 ( 1.053 -0.248 -0.712) 1.296 18.642 ( -0.523 0.009 0.203) 0.561 18.677 ( 0.067 -0.242 1.178) 1.204 18.681 ( 0.796 0.010 0.672) 1.042 18.761 ( -0.061 -0.177 -0.343) 0.391 18.915 ( -0.221 -0.265 -0.029) 0.346 18.946 ( 0.670 -0.831 -0.064) 1.069 19.251 ( -0.994 0.041 -0.098) 1.000 19.288 ( 0.055 0.264 -0.270) 0.382 19.438 ( -0.452 -0.066 0.529) 0.699 19.498 ( 0.723 -0.073 -0.085) 0.732 41.861 ( -0.417 -0.595 -0.069) 0.730 41.888 ( 0.113 -0.002 0.121) 0.166 41.971 ( -0.097 0.086 -0.469) 0.486 41.980 ( 0.793 -0.083 -0.810) 1.136 42.077 ( 0.341 0.304 0.426) 0.625 42.096 ( -1.315 0.711 0.574) 1.602 65.785 ( -3.044 -1.519 1.042) 3.558 65.909 ( -8.441 -2.499 -5.113) 10.181 66.138 ( -3.383 -3.334 2.002) 5.154 66.492 ( 2.872 3.146 7.024) 8.215 66.780 ( 16.605 -5.695 8.923) 19.692 68.149 ( -12.484 21.596 -28.750) 38.063 ======================= Grid point 94 (43/114) ======================= q-point: ( 0.38 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 2.075 0.000 1.053) 2.327 1.226 ( -2.207 -0.000 1.407) 2.617 1.285 ( 0.197 0.000 -2.621) 2.628 1.419 ( 3.405 0.000 -2.302) 4.110 1.675 ( -5.701 -0.000 4.776) 7.437 1.811 ( 0.463 0.000 8.198) 8.211 1.957 ( 3.343 0.000 -7.622) 8.323 2.333 ( 4.061 0.000 -3.536) 5.385 2.390 ( 1.834 0.000 -4.454) 4.817 2.411 ( -5.249 -0.000 2.297) 5.730 2.518 ( 11.641 0.000 6.798) 13.481 2.774 ( -3.812 -0.000 -1.500) 4.097 2.847 ( 2.784 0.000 1.785) 3.307 3.085 ( 2.333 0.000 4.697) 5.244 3.318 ( -3.435 -0.000 2.863) 4.472 3.320 ( 4.553 0.000 7.579) 8.841 3.433 ( -4.094 -0.000 -5.920) 7.197 3.607 ( -5.037 -0.000 -2.354) 5.560 3.789 ( 2.247 0.000 0.366) 2.277 3.996 ( 1.688 0.000 -6.114) 6.343 4.181 ( -2.801 -0.000 1.692) 3.273 4.337 ( -0.911 -0.000 2.103) 2.292 4.424 ( 3.450 0.000 -2.554) 4.293 4.647 ( 2.790 0.000 -0.459) 2.828 4.727 ( 10.043 0.000 1.635) 10.175 4.754 ( 0.614 0.000 3.426) 3.481 4.939 ( -1.606 -0.000 1.114) 1.954 5.082 ( -2.778 -0.000 -4.122) 4.971 5.289 ( 3.333 0.000 5.189) 6.167 5.328 ( 1.435 0.000 -8.903) 9.018 5.448 ( -4.982 -0.000 -0.522) 5.009 5.533 ( 6.409 0.000 -2.890) 7.031 5.714 ( -8.664 -0.000 -1.641) 8.818 5.741 ( 3.845 0.000 3.846) 5.438 6.073 ( -5.131 -0.000 -0.235) 5.136 6.124 ( 0.450 0.000 -1.123) 1.210 6.249 ( 1.666 0.000 0.543) 1.752 6.383 ( -0.552 -0.000 10.766) 10.780 6.936 ( -3.911 -0.000 -4.737) 6.143 7.027 ( -1.104 -0.000 0.195) 1.121 7.052 ( 4.679 0.000 -0.899) 4.765 7.856 ( -3.983 -0.000 -0.606) 4.029 18.573 ( 0.383 0.000 0.300) 0.486 18.601 ( 0.144 0.000 -1.277) 1.285 18.636 ( 0.174 0.000 0.687) 0.708 18.664 ( -0.917 -0.000 0.713) 1.161 18.686 ( -0.632 -0.000 -0.761) 0.990 18.752 ( 0.450 0.000 -0.109) 0.463 18.913 ( -0.360 -0.000 0.254) 0.441 18.942 ( -0.506 -0.000 -0.123) 0.521 19.256 ( 0.681 0.000 0.577) 0.892 19.306 ( 0.599 0.000 -0.777) 0.981 19.441 ( -0.468 -0.000 0.864) 0.983 19.498 ( -0.444 -0.000 -0.414) 0.607 41.883 ( 0.373 0.000 0.210) 0.428 41.890 ( -0.228 -0.000 0.076) 0.240 41.998 ( 1.091 0.000 -0.009) 1.091 42.015 ( 0.123 0.000 -0.187) 0.224 42.043 ( -0.599 -0.000 0.434) 0.740 42.052 ( -0.762 -0.000 -0.078) 0.766 65.695 ( 1.594 0.000 1.444) 2.151 65.734 ( 4.590 0.000 1.569) 4.851 66.114 ( -8.423 -0.000 3.029) 8.951 66.217 ( -8.151 -0.000 -4.165) 9.154 66.507 ( 2.099 0.000 5.435) 5.826 68.650 ( 15.216 0.000 -4.179) 15.779 ======================= Grid point 96 (44/114) ======================= q-point: (-0.50 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 1.861 0.797 2.209) 2.996 1.206 ( -2.879 -2.066 0.670) 3.606 1.263 ( 0.210 0.010 -3.304) 3.311 1.432 ( 2.488 1.651 -2.545) 3.924 1.611 ( -5.157 4.172 5.451) 8.586 1.854 ( -2.412 -1.060 4.498) 5.213 1.923 ( 4.120 9.548 -0.140) 10.400 2.308 ( 0.722 0.927 -2.963) 3.187 2.360 ( 0.167 -3.708 -4.047) 5.491 2.498 ( 3.886 -3.872 1.457) 5.676 2.593 ( 1.636 8.052 -0.435) 8.228 2.770 ( -0.792 -5.696 -0.892) 5.820 2.926 ( 1.550 0.472 6.851) 7.040 3.130 ( -1.597 -1.900 3.673) 4.433 3.341 ( 0.730 -0.058 4.654) 4.712 3.354 ( 0.520 -3.085 -4.057) 5.123 3.482 ( 3.390 -4.062 7.935) 9.538 3.523 ( -6.828 -3.946 -0.680) 7.916 3.809 ( 0.968 3.799 -0.484) 3.950 3.868 ( 2.866 12.269 -4.955) 13.539 4.130 ( -3.650 2.110 -0.244) 4.223 4.330 ( -1.701 0.665 3.589) 4.027 4.425 ( 3.393 4.294 -4.582) 7.138 4.713 ( 1.661 -5.374 -3.093) 6.419 4.770 ( 5.921 4.969 3.578) 8.518 4.886 ( -0.039 -1.462 -1.213) 1.900 4.910 ( -2.664 -2.202 1.022) 3.604 5.045 ( -0.342 -3.879 -2.969) 4.897 5.251 ( 1.640 4.464 -4.259) 6.384 5.351 ( 0.456 0.598 2.635) 2.740 5.427 ( 0.542 -3.876 -1.857) 4.332 5.547 ( -1.119 3.023 -3.110) 4.479 5.640 ( -2.111 -4.882 -0.994) 5.411 5.791 ( 3.267 3.509 -0.044) 4.795 6.001 ( -5.466 0.215 2.499) 6.014 6.137 ( -0.211 -2.859 -1.146) 3.088 6.248 ( 0.302 1.756 -1.616) 2.406 6.426 ( -3.136 -4.049 1.100) 5.238 6.895 ( 1.575 -0.041 1.136) 1.943 7.039 ( -0.629 -1.070 2.511) 2.801 7.104 ( 3.100 0.238 0.188) 3.115 7.791 ( -2.737 0.607 -2.514) 3.766 18.579 ( 0.134 0.032 0.205) 0.247 18.597 ( 0.444 -0.040 -0.928) 1.029 18.645 ( 0.040 -0.021 1.107) 1.108 18.658 ( -0.724 -0.038 0.516) 0.890 18.675 ( -0.077 0.109 -0.404) 0.426 18.756 ( 0.254 -0.032 -0.131) 0.287 18.910 ( -0.313 -0.088 0.085) 0.336 18.936 ( -0.266 -0.013 -0.124) 0.294 19.266 ( 0.210 0.036 0.316) 0.381 19.306 ( 0.592 0.224 -0.843) 1.054 19.441 ( -0.551 0.005 0.858) 1.020 19.491 ( -0.131 0.034 -0.312) 0.340 41.886 ( 0.075 0.273 -0.017) 0.284 41.888 ( -0.084 0.073 0.042) 0.119 41.995 ( 0.899 1.460 -0.329) 1.745 42.018 ( -0.699 1.378 -0.152) 1.553 42.032 ( 0.549 -1.258 -0.007) 1.372 42.065 ( -0.986 -2.230 0.539) 2.497 65.731 ( 2.757 0.116 -0.346) 2.781 65.839 ( 5.042 -3.402 2.134) 6.446 66.013 ( -7.005 -0.442 1.235) 7.127 66.126 ( -7.422 -5.542 -2.772) 9.669 66.591 ( 1.093 1.517 11.890) 12.036 68.757 ( 8.666 0.877 -9.190) 12.662 ======================= Grid point 97 (45/114) ======================= q-point: (-0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -0.675 2.401 2.396) 3.459 1.225 ( 0.133 -3.408 0.502) 3.447 1.241 ( 0.643 0.212 -3.746) 3.807 1.401 ( 1.180 4.859 -1.815) 5.320 1.534 ( -3.492 5.148 5.893) 8.569 1.847 ( -3.437 0.449 3.375) 4.837 1.861 ( 4.252 11.449 4.965) 13.183 2.273 ( 2.025 4.478 -4.653) 6.768 2.404 ( -0.171 -4.681 0.058) 4.685 2.489 ( 1.028 9.641 -0.515) 9.710 2.569 ( 0.421 -2.619 -1.292) 2.950 2.805 ( -1.894 -4.087 -4.184) 6.148 2.970 ( 1.104 -0.922 3.140) 3.454 3.155 ( -5.261 -5.794 2.877) 8.338 3.318 ( -1.943 -1.455 -1.431) 2.818 3.392 ( -2.360 2.206 3.089) 4.470 3.546 ( 3.353 -0.558 -0.419) 3.425 3.673 ( 2.468 7.749 0.960) 8.189 3.695 ( 3.293 -7.416 10.171) 13.011 3.830 ( 0.974 0.889 -0.710) 1.498 4.067 ( -1.841 1.552 1.349) 2.760 4.312 ( 0.315 7.603 0.205) 7.612 4.342 ( -1.099 1.162 -2.751) 3.182 4.734 ( 0.204 -0.529 -4.142) 4.181 4.808 ( 4.651 4.086 -3.193) 6.966 4.849 ( -2.605 -0.757 2.311) 3.564 4.919 ( -0.612 -1.640 -2.743) 3.254 4.999 ( -2.996 2.352 -1.570) 4.120 5.226 ( -0.691 2.596 -0.839) 2.815 5.395 ( -1.168 -4.493 1.816) 4.985 5.458 ( 2.918 -2.642 -4.034) 5.636 5.495 ( 2.087 2.361 -2.826) 4.233 5.656 ( -1.766 -1.070 1.095) 2.337 5.773 ( 0.692 -0.304 -1.324) 1.525 5.970 ( -2.592 0.526 4.806) 5.486 6.161 ( -0.354 -2.730 -0.950) 2.912 6.190 ( -1.247 2.811 -3.477) 4.642 6.429 ( -4.216 -8.391 -7.249) 11.863 6.977 ( 4.063 0.624 4.718) 6.258 7.041 ( -1.475 0.075 1.112) 1.849 7.168 ( 3.291 -2.141 4.450) 5.935 7.736 ( -0.815 0.033 -4.030) 4.111 18.578 ( -0.262 0.061 0.012) 0.269 18.600 ( 0.791 -0.068 -0.659) 1.032 18.648 ( -0.766 0.020 0.751) 1.073 18.660 ( 0.094 -0.103 1.088) 1.096 18.676 ( 0.620 0.197 -0.022) 0.651 18.758 ( 0.091 -0.072 -0.189) 0.222 18.909 ( -0.211 -0.178 -0.049) 0.280 18.933 ( 0.019 -0.047 -0.187) 0.193 19.264 ( -0.491 0.063 0.019) 0.496 19.303 ( 0.430 0.359 -0.731) 0.921 19.439 ( -0.544 0.025 0.735) 0.915 19.490 ( 0.371 0.031 -0.158) 0.405 41.877 ( -0.249 0.661 -0.372) 0.798 41.887 ( 0.049 0.062 -0.011) 0.080 41.989 ( 0.502 0.927 -0.455) 1.148 41.994 ( -0.088 0.990 -0.399) 1.071 42.054 ( 0.589 -0.934 0.218) 1.126 42.081 ( -1.290 -2.061 0.794) 2.558 65.752 ( 0.158 -0.658 -0.738) 1.001 65.904 ( -4.567 -3.716 -1.675) 6.122 65.999 ( -4.465 -5.442 2.566) 7.493 66.152 ( 7.417 -5.961 -0.235) 9.518 66.678 ( -0.529 3.319 16.123) 16.470 68.712 ( 0.701 2.183 -14.986) 15.160 ======================= Grid point 98 (46/114) ======================= q-point: (-0.25 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -0.598 2.021 1.898) 2.836 1.201 ( -0.301 1.878 -4.150) 4.565 1.271 ( 0.839 0.773 0.466) 1.232 1.339 ( 1.237 5.073 1.012) 5.318 1.494 ( -0.955 3.557 5.712) 6.796 1.816 ( -6.149 -2.634 0.112) 6.691 1.847 ( 7.819 12.071 7.793) 16.358 2.184 ( 2.814 10.047 -0.398) 10.442 2.389 ( 3.298 10.488 -0.718) 11.018 2.431 ( -3.693 -2.882 0.889) 4.768 2.598 ( -0.005 -6.017 -3.987) 7.218 2.748 ( -3.351 -3.758 -9.223) 10.508 2.968 ( -3.752 3.860 1.069) 5.488 3.186 ( -4.133 -6.115 1.728) 7.580 3.326 ( 0.986 1.749 2.157) 2.947 3.383 ( 3.430 -0.336 2.582) 4.306 3.520 ( 2.585 6.966 1.271) 7.538 3.646 ( -4.302 -1.626 -3.183) 5.593 3.854 ( 0.630 0.416 3.764) 3.839 3.906 ( 0.419 -7.006 5.831) 9.125 4.076 ( 2.302 0.368 3.329) 4.064 4.226 ( 2.284 5.749 1.673) 6.408 4.342 ( -0.679 -3.857 1.080) 4.063 4.672 ( 0.395 4.138 -5.907) 7.223 4.747 ( -4.075 1.774 1.483) 4.685 4.839 ( 2.288 2.909 -3.442) 5.054 4.900 ( 3.011 1.700 -1.775) 3.886 4.970 ( -1.696 -0.726 0.088) 1.847 5.154 ( -1.194 2.370 -2.902) 3.932 5.382 ( -3.786 0.954 0.414) 3.926 5.439 ( -1.505 -1.552 -7.210) 7.527 5.555 ( 0.774 -4.555 2.475) 5.241 5.662 ( 2.254 -1.480 -2.824) 3.904 5.835 ( 1.962 -3.675 4.648) 6.242 5.990 ( 0.231 0.254 5.091) 5.103 6.090 ( -1.975 2.785 -4.846) 5.928 6.192 ( -0.331 -2.491 0.140) 2.517 6.379 ( -5.566 -4.553 -9.254) 11.720 6.938 ( -4.040 3.236 -0.323) 5.186 7.103 ( 5.020 1.149 2.089) 5.558 7.317 ( 2.639 -6.304 7.433) 10.098 7.701 ( 0.280 -0.687 -4.857) 4.914 18.572 ( -0.447 0.069 -0.091) 0.461 18.609 ( 1.007 -0.107 -0.589) 1.172 18.642 ( -0.623 0.019 0.357) 0.718 18.672 ( -0.072 -0.103 1.517) 1.522 18.686 ( 1.113 0.227 0.212) 1.155 18.757 ( -0.133 -0.133 -0.348) 0.396 18.908 ( -0.086 -0.213 -0.051) 0.236 18.935 ( 0.346 -0.166 -0.215) 0.440 19.252 ( -0.979 0.072 -0.111) 0.988 19.297 ( 0.102 0.424 -0.506) 0.668 19.437 ( -0.419 0.030 0.570) 0.708 19.497 ( 0.701 -0.006 -0.080) 0.706 41.861 ( -0.363 0.607 -0.422) 0.823 41.888 ( 0.043 -0.061 -0.043) 0.086 41.973 ( -0.462 0.291 -0.578) 0.795 41.991 ( 1.150 0.896 -0.491) 1.539 42.072 ( -0.194 -0.790 0.583) 1.001 42.092 ( -0.726 -1.060 0.682) 1.455 65.740 ( -3.939 -1.987 0.784) 4.480 65.842 ( -6.545 -2.663 -2.888) 7.633 66.030 ( -0.488 -4.517 0.442) 4.565 66.431 ( 14.791 -8.491 2.814) 17.286 66.752 ( -0.704 3.406 17.092) 17.443 68.466 ( -8.430 7.049 -20.630) 23.374 ======================= Grid point 99 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 2.144 -0.086 1.905) 2.870 1.124 ( -1.319 3.482 -2.661) 4.577 1.232 ( 2.243 6.954 1.264) 7.416 1.325 ( 0.132 3.987 3.473) 5.289 1.515 ( 1.305 1.602 5.848) 6.202 1.737 ( -5.234 -0.064 -2.329) 5.729 1.873 ( 5.856 7.211 3.110) 9.796 2.179 ( 7.817 6.203 6.876) 12.119 2.307 ( 4.131 9.511 -1.925) 10.546 2.414 ( -3.741 -5.647 -2.656) 7.275 2.619 ( -3.610 -3.985 -3.766) 6.564 2.709 ( -1.183 -7.380 -7.698) 10.730 2.828 ( -6.531 6.128 0.564) 8.974 3.211 ( 0.559 2.130 1.463) 2.644 3.313 ( 1.110 2.471 1.797) 3.251 3.468 ( 2.205 0.062 0.107) 2.208 3.490 ( 2.765 3.490 -1.749) 4.784 3.577 ( -2.757 -0.320 -1.072) 2.975 3.797 ( -4.692 5.824 2.049) 7.755 3.982 ( -3.681 -5.526 0.741) 6.681 4.154 ( 5.726 -0.075 1.707) 5.975 4.277 ( 2.582 -1.478 5.548) 6.296 4.416 ( 0.746 -3.737 0.673) 3.870 4.565 ( 1.134 7.629 -3.893) 8.639 4.755 ( -2.696 -4.806 1.370) 5.678 4.821 ( 5.058 2.277 0.418) 5.563 4.909 ( -2.271 -0.011 0.177) 2.278 4.945 ( 1.352 0.885 0.920) 1.859 5.122 ( 1.879 0.589 -1.302) 2.361 5.285 ( -5.986 1.319 -2.846) 6.758 5.410 ( 1.256 -2.269 -4.067) 4.823 5.607 ( -4.068 -5.571 1.644) 7.091 5.717 ( 3.587 -2.067 -1.665) 4.462 5.930 ( -0.562 -0.630 4.894) 4.966 5.997 ( 0.626 1.413 -2.655) 3.072 6.061 ( 0.453 -1.448 4.984) 5.210 6.171 ( -5.176 0.227 -4.156) 6.642 6.289 ( -0.189 -0.601 -4.147) 4.195 6.845 ( -2.655 2.942 -0.190) 3.967 7.143 ( 3.664 3.336 -0.236) 4.961 7.451 ( -2.831 -6.516 2.293) 7.465 7.702 ( 2.422 -2.024 -1.253) 3.396 18.564 ( -0.367 0.060 -0.069) 0.378 18.619 ( 0.884 -0.106 -0.598) 1.072 18.637 ( -0.332 0.018 -0.080) 0.342 18.683 ( -0.417 -0.088 1.522) 1.580 18.702 ( 1.276 0.209 0.225) 1.313 18.751 ( -0.458 -0.212 -0.611) 0.793 18.911 ( 0.025 -0.168 0.100) 0.197 18.944 ( 0.509 -0.513 -0.198) 0.749 19.237 ( -0.972 0.052 0.011) 0.974 19.289 ( -0.114 0.283 -0.243) 0.390 19.437 ( -0.249 0.015 0.465) 0.528 19.506 ( 0.671 -0.045 -0.130) 0.685 41.850 ( -0.319 -0.103 -0.014) 0.336 41.888 ( -0.077 -0.088 -0.015) 0.118 41.963 ( 0.010 -0.041 -0.904) 0.905 41.993 ( 0.968 0.666 -0.375) 1.233 42.075 ( -1.071 -0.457 0.576) 1.299 42.099 ( 0.180 0.168 0.817) 0.853 65.711 ( -5.841 -2.066 2.752) 6.779 65.763 ( -4.915 -1.363 -2.301) 5.596 66.096 ( 2.945 -3.500 -1.392) 4.781 66.630 ( -0.187 4.712 9.914) 10.978 66.989 ( 17.035 -10.007 8.763) 21.613 67.987 ( -14.929 15.694 -21.901) 30.803 ======================= Grid point 104 (48/114) ======================= q-point: (-0.50 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -0.789 -0.000 2.454) 2.577 1.172 ( -0.278 -0.000 0.995) 1.033 1.241 ( 0.861 -0.000 -3.929) 4.023 1.453 ( 1.747 -0.000 -2.543) 3.085 1.622 ( -3.071 -0.000 4.895) 5.779 1.818 ( -5.225 -0.000 2.034) 5.607 2.087 ( 5.394 -0.000 4.955) 7.325 2.264 ( -0.307 -0.000 -2.211) 2.232 2.331 ( 2.048 -0.000 -4.239) 4.708 2.535 ( 1.150 -0.000 2.705) 2.939 2.664 ( 0.471 -0.000 -1.620) 1.687 2.757 ( 5.657 0.000 0.186) 5.660 2.901 ( -11.420 -0.000 5.725) 12.774 3.100 ( -3.232 -0.000 0.651) 3.297 3.314 ( 1.495 -0.000 2.177) 2.641 3.381 ( -8.069 -0.000 -1.278) 8.169 3.456 ( 4.212 -0.000 8.654) 9.624 3.571 ( 4.232 -0.000 5.992) 7.336 3.821 ( 0.072 -0.000 -0.300) 0.308 3.974 ( 4.435 -0.000 -5.171) 6.812 4.085 ( -2.180 -0.000 -3.546) 4.163 4.328 ( -1.771 -0.000 1.034) 2.051 4.481 ( 2.018 -0.000 0.392) 2.056 4.638 ( -1.438 -0.000 -5.628) 5.809 4.835 ( -2.959 -0.000 -1.929) 3.532 4.852 ( -3.933 -0.000 3.863) 5.513 4.879 ( 1.127 -0.000 -0.400) 1.196 5.067 ( 5.808 -0.000 -0.869) 5.873 5.292 ( 5.367 -0.000 -8.398) 9.967 5.337 ( -4.362 -0.000 -0.821) 4.439 5.374 ( 0.212 -0.000 0.541) 0.581 5.573 ( 1.788 -0.000 1.280) 2.199 5.581 ( 0.559 0.000 -1.985) 2.063 5.800 ( -1.927 -0.000 -4.646) 5.030 6.002 ( 0.570 -0.000 4.291) 4.329 6.102 ( 0.185 -0.000 -2.435) 2.442 6.231 ( -1.218 -0.000 -3.346) 3.560 6.305 ( -7.286 -0.000 -2.438) 7.683 6.987 ( 4.803 -0.000 7.490) 8.898 7.037 ( -0.846 -0.000 2.356) 2.503 7.143 ( 1.295 -0.000 1.075) 1.683 7.742 ( -0.551 -0.000 -4.625) 4.658 18.579 ( -0.278 -0.000 0.024) 0.279 18.599 ( 0.792 -0.000 -0.653) 1.026 18.648 ( -0.784 -0.000 0.744) 1.081 18.659 ( 0.138 -0.000 1.116) 1.125 18.678 ( 0.614 -0.000 -0.024) 0.614 18.757 ( 0.063 -0.000 -0.157) 0.169 18.906 ( -0.201 -0.000 -0.048) 0.207 18.933 ( 0.021 -0.000 -0.191) 0.192 19.265 ( -0.489 -0.000 0.022) 0.490 19.308 ( 0.498 -0.000 -0.851) 0.986 19.440 ( -0.557 -0.000 0.805) 0.979 19.491 ( 0.343 -0.000 -0.138) 0.370 41.887 ( -0.046 -0.000 0.005) 0.046 41.888 ( -0.171 -0.000 -0.044) 0.177 42.018 ( 0.123 -0.000 -0.052) 0.133 42.022 ( -0.080 0.000 -0.105) 0.132 42.031 ( -0.360 -0.000 0.034) 0.361 42.032 ( 0.140 0.000 -0.099) 0.172 65.749 ( -0.798 -0.000 -0.811) 1.138 65.843 ( -3.731 -0.000 0.775) 3.810 65.946 ( -2.386 -0.000 1.203) 2.672 66.059 ( 5.651 -0.000 -1.399) 5.822 66.720 ( -0.876 -0.000 17.153) 17.176 68.738 ( 0.714 -0.000 -13.292) 13.311 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -3.085 0.656 1.335) 3.425 1.213 ( 1.710 -1.968 1.077) 2.821 1.221 ( 0.759 0.004 -3.951) 4.023 1.438 ( 0.782 1.765 -2.613) 3.249 1.606 ( -1.365 4.001 5.576) 6.998 1.751 ( -7.383 -1.837 0.832) 7.653 2.110 ( 3.532 7.994 2.213) 9.015 2.313 ( -0.053 -4.471 2.487) 5.116 2.333 ( 2.656 0.463 -2.220) 3.492 2.505 ( -4.412 3.496 0.099) 5.631 2.633 ( -0.830 3.716 -0.402) 3.829 2.753 ( -2.187 1.230 -2.922) 3.851 2.926 ( 0.394 -7.331 6.085) 9.536 3.051 ( -4.335 -0.050 0.860) 4.419 3.274 ( -4.039 -0.356 1.277) 4.251 3.394 ( 0.578 -1.610 6.832) 7.043 3.555 ( 0.595 -2.046 1.104) 2.400 3.697 ( 1.695 -5.824 4.742) 7.699 3.821 ( 1.904 3.239 0.942) 3.873 3.937 ( 5.114 9.424 -0.668) 10.743 4.037 ( -0.767 -1.734 -3.389) 3.884 4.308 ( -0.952 0.254 -0.322) 1.036 4.412 ( -1.728 8.451 -0.125) 8.627 4.640 ( -1.250 -6.861 -5.234) 8.720 4.767 ( -5.101 1.098 0.909) 5.296 4.854 ( -1.595 -4.103 -1.365) 4.609 4.885 ( -0.158 0.459 1.775) 1.840 5.081 ( 5.151 6.054 -3.844) 8.829 5.220 ( -2.723 2.776 -4.247) 5.759 5.304 ( -0.571 -3.107 -6.127) 6.894 5.425 ( 0.071 -3.411 0.088) 3.413 5.555 ( 1.979 3.892 0.871) 4.453 5.661 ( 4.139 -1.057 -1.167) 4.428 5.731 ( -2.122 -1.777 0.494) 2.811 6.024 ( 1.620 2.258 2.164) 3.522 6.106 ( -0.675 -2.476 -3.889) 4.660 6.169 ( -1.507 1.288 -1.821) 2.692 6.237 ( -4.418 -5.073 -3.227) 7.461 7.008 ( -2.912 2.015 2.093) 4.114 7.127 ( 4.620 1.247 4.461) 6.542 7.190 ( 1.483 -3.939 5.431) 6.871 7.704 ( 1.624 0.409 -6.365) 6.582 18.573 ( -0.491 0.020 -0.097) 0.501 18.607 ( 1.011 -0.028 -0.543) 1.148 18.643 ( -0.658 0.006 0.426) 0.784 18.671 ( 0.011 -0.014 1.566) 1.566 18.690 ( 1.098 0.100 0.180) 1.117 18.755 ( -0.184 -0.042 -0.319) 0.371 18.905 ( -0.016 -0.077 -0.041) 0.089 18.934 ( 0.385 -0.003 -0.251) 0.460 19.254 ( -0.978 0.039 -0.120) 0.986 19.306 ( 0.260 0.223 -0.707) 0.786 19.439 ( -0.450 0.037 0.687) 0.822 19.497 ( 0.668 0.015 -0.057) 0.671 41.879 ( -0.340 0.588 -0.166) 0.700 41.887 ( -0.014 0.001 -0.007) 0.016 41.992 ( -0.661 1.367 -0.347) 1.558 42.018 ( 0.978 1.148 -0.229) 1.526 42.038 ( -1.063 -1.812 0.167) 2.108 42.055 ( 0.658 -1.521 0.262) 1.678 65.702 ( -4.940 -0.821 0.410) 5.024 65.783 ( -5.757 -1.825 -0.617) 6.071 65.970 ( 3.729 -0.090 0.026) 3.730 66.220 ( 11.484 -6.467 0.733) 13.200 66.827 ( -3.487 1.801 19.803) 20.188 68.566 ( -6.742 1.791 -17.061) 18.432 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -0.989 -0.352 1.759) 2.048 1.176 ( -0.935 1.234 -4.780) 5.024 1.257 ( -1.273 -2.321 0.224) 2.657 1.404 ( 0.672 1.924 -1.491) 2.525 1.589 ( -0.858 3.781 6.082) 7.213 1.680 ( -7.272 -2.245 1.270) 7.716 2.074 ( 4.188 6.271 -1.782) 7.748 2.286 ( -9.201 0.643 1.146) 9.294 2.354 ( 3.776 3.878 3.128) 6.252 2.471 ( -0.303 -6.615 -1.944) 6.902 2.579 ( -3.729 -1.057 -4.777) 6.151 2.633 ( 0.767 11.058 -2.014) 11.266 2.987 ( -2.840 5.747 3.842) 7.473 3.041 ( -3.685 -9.467 3.760) 10.833 3.351 ( 3.599 -4.062 5.297) 7.584 3.469 ( 3.386 0.770 4.795) 5.920 3.542 ( -2.850 -1.705 -3.114) 4.553 3.694 ( -1.183 7.386 -0.778) 7.520 3.855 ( 1.865 -0.802 2.624) 3.318 3.918 ( -1.214 3.852 3.786) 5.536 4.091 ( 3.532 -6.033 -1.361) 7.122 4.306 ( -1.379 3.728 0.022) 3.975 4.317 ( 0.875 -1.808 2.245) 3.012 4.617 ( -0.548 -1.412 -6.771) 6.938 4.704 ( -6.238 0.231 3.660) 7.236 4.847 ( 0.373 -1.033 -2.224) 2.481 4.902 ( -1.605 -2.430 -2.626) 3.921 5.029 ( 3.365 5.935 -4.792) 8.337 5.153 ( 2.205 2.111 -2.680) 4.062 5.283 ( -1.620 -3.052 -3.053) 4.611 5.427 ( -1.640 0.584 -0.588) 1.838 5.516 ( -2.402 2.340 1.233) 3.572 5.679 ( 3.952 -0.396 -0.763) 4.044 5.845 ( 2.504 -5.052 4.103) 6.973 6.030 ( -1.422 0.933 -5.861) 6.103 6.060 ( 0.606 -0.122 2.977) 3.041 6.174 ( -0.377 0.066 -0.133) 0.405 6.216 ( -1.821 -4.297 -2.418) 5.256 6.935 ( -3.313 4.023 0.894) 5.287 7.173 ( 0.563 -1.246 1.095) 1.752 7.333 ( 3.219 -2.450 6.679) 7.808 7.677 ( 2.531 -0.113 -6.446) 6.926 18.565 ( -0.427 0.008 -0.100) 0.439 18.617 ( 0.990 -0.026 -0.545) 1.130 18.637 ( -0.444 0.021 0.151) 0.470 18.682 ( -0.247 0.039 1.643) 1.662 18.707 ( 1.281 0.166 0.170) 1.303 18.747 ( -0.504 -0.107 -0.620) 0.806 18.907 ( 0.156 -0.098 0.131) 0.226 18.939 ( 0.688 0.022 -0.264) 0.737 19.238 ( -0.997 0.054 -0.020) 0.998 19.299 ( -0.078 0.401 -0.501) 0.646 19.438 ( -0.274 0.071 0.582) 0.647 19.506 ( 0.668 0.010 -0.112) 0.678 41.863 ( -0.305 0.905 -0.170) 0.970 41.886 ( -0.030 0.006 -0.039) 0.050 41.970 ( -0.293 0.701 -0.518) 0.919 42.015 ( 0.894 1.052 -0.214) 1.397 42.047 ( -0.999 -1.653 0.225) 1.945 42.084 ( 0.404 -1.284 0.675) 1.506 65.659 ( -4.878 -1.876 1.688) 5.492 65.729 ( -3.870 -1.333 -0.618) 4.139 66.032 ( 4.683 -0.787 -0.851) 4.824 66.532 ( 14.599 -11.665 2.227) 18.820 66.894 ( -4.824 1.994 19.456) 20.144 68.236 ( -13.127 5.794 -19.618) 24.306 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 1.122 -0.612 2.111) 2.467 1.108 ( -1.317 0.283 -2.171) 2.555 1.250 ( -2.383 -2.870 -1.296) 3.949 1.394 ( 0.117 0.711 1.265) 1.456 1.547 ( -6.988 -1.302 0.108) 7.109 1.665 ( 0.466 2.048 7.221) 7.520 2.045 ( 4.781 3.562 -5.854) 8.356 2.197 ( -6.417 -4.674 -0.954) 7.996 2.315 ( -5.602 2.746 -7.093) 9.447 2.457 ( -4.136 -2.210 -1.585) 4.950 2.520 ( 3.074 4.265 1.799) 5.557 2.600 ( 4.392 2.291 1.523) 5.182 2.910 ( -0.268 7.509 4.456) 8.736 3.166 ( -0.254 -9.638 4.278) 10.548 3.397 ( 0.650 4.858 0.131) 4.903 3.498 ( 0.727 -0.309 -2.767) 2.877 3.523 ( -1.158 3.929 1.649) 4.415 3.633 ( 1.740 3.659 3.413) 5.298 3.825 ( -4.570 5.265 1.897) 7.225 3.881 ( -0.099 0.027 -0.298) 0.315 4.180 ( 1.461 -3.514 -4.086) 5.584 4.287 ( -2.205 -4.210 2.206) 5.240 4.405 ( 3.614 -2.173 1.187) 4.381 4.569 ( -2.083 0.417 -6.693) 7.022 4.688 ( -2.211 -3.275 4.867) 6.269 4.830 ( -2.616 -1.372 -8.722) 9.209 4.883 ( 0.881 -3.465 2.168) 4.181 4.990 ( 2.209 2.955 0.557) 3.732 5.181 ( 4.957 0.688 0.495) 5.029 5.266 ( -1.749 3.061 2.317) 4.219 5.407 ( 1.935 0.659 1.291) 2.417 5.509 ( -0.793 -3.461 -0.627) 3.605 5.737 ( 2.044 -0.473 1.243) 2.438 5.914 ( -1.557 -1.700 -0.868) 2.464 5.959 ( -1.518 0.007 -4.020) 4.297 6.082 ( -2.359 -0.656 -2.098) 3.225 6.131 ( 1.169 1.458 3.167) 3.677 6.291 ( 2.986 -2.356 3.647) 5.270 6.855 ( -1.882 3.299 0.844) 3.891 7.192 ( -0.542 -1.201 -0.582) 1.440 7.387 ( 0.350 2.121 -1.122) 2.425 7.700 ( 2.577 -3.163 -0.949) 4.189 18.560 ( -0.198 -0.019 -0.025) 0.201 18.625 ( 0.732 0.027 -0.492) 0.882 18.632 ( -0.202 0.052 -0.271) 0.341 18.688 ( -0.635 0.164 1.402) 1.548 18.723 ( 1.224 0.177 0.039) 1.238 18.734 ( -0.778 -0.178 -0.918) 1.216 18.913 ( 0.171 -0.047 0.347) 0.389 18.946 ( 0.620 0.011 -0.249) 0.668 19.228 ( -0.550 0.025 0.264) 0.610 19.288 ( -0.213 0.290 -0.300) 0.468 19.438 ( -0.155 0.083 0.553) 0.580 19.512 ( 0.393 0.001 -0.259) 0.471 41.850 ( -0.128 0.533 0.148) 0.568 41.885 ( -0.069 -0.053 -0.071) 0.112 41.958 ( 0.191 0.211 -0.849) 0.895 42.013 ( 0.633 0.929 -0.070) 1.126 42.054 ( -0.790 -1.147 0.178) 1.404 42.107 ( 0.082 -0.678 1.186) 1.368 65.640 ( -3.711 -1.753 2.808) 4.973 65.703 ( -0.919 -0.352 -0.191) 1.002 66.102 ( 4.205 -2.025 -1.315) 4.848 66.744 ( -3.765 4.322 11.150) 12.537 67.133 ( 16.393 -15.223 7.839) 23.705 67.774 ( -16.102 10.322 -18.325) 26.488 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -2.754 -0.000 1.044) 2.945 1.190 ( -0.497 -0.000 -5.153) 5.177 1.223 ( -1.040 -0.000 1.576) 1.888 1.424 ( -1.868 -0.000 -1.795) 2.591 1.624 ( -8.949 -0.000 0.163) 8.951 1.673 ( 1.087 0.000 5.202) 5.315 2.178 ( -2.803 -0.000 0.490) 2.846 2.268 ( 3.097 0.000 -2.840) 4.203 2.333 ( -6.187 -0.000 1.568) 6.383 2.528 ( -4.300 -0.000 -5.879) 7.284 2.605 ( -5.665 -0.000 8.609) 10.306 2.618 ( -1.986 -0.000 -2.887) 3.504 3.011 ( -1.808 -0.000 1.660) 2.455 3.060 ( 7.809 0.000 7.714) 10.976 3.258 ( -0.461 -0.000 6.103) 6.120 3.467 ( 2.379 0.000 6.401) 6.829 3.534 ( -3.058 -0.000 0.419) 3.086 3.686 ( 0.995 0.000 -1.786) 2.044 3.869 ( 2.076 0.000 -0.420) 2.119 3.985 ( -0.769 -0.000 -1.400) 1.597 4.048 ( 2.350 0.000 -1.780) 2.948 4.316 ( 0.486 0.000 2.230) 2.282 4.433 ( -3.586 -0.000 -6.701) 7.600 4.512 ( -2.971 -0.000 1.129) 3.178 4.742 ( -4.919 -0.000 2.404) 5.475 4.777 ( -0.200 -0.000 -1.795) 1.807 4.881 ( -1.348 -0.000 -0.674) 1.507 5.119 ( -4.765 -0.000 -1.633) 5.037 5.195 ( 5.230 0.000 -3.650) 6.378 5.232 ( 2.900 0.000 -9.828) 10.247 5.378 ( -3.546 -0.000 -0.433) 3.572 5.625 ( 0.420 0.000 2.089) 2.131 5.705 ( -0.238 -0.000 4.825) 4.830 5.742 ( 8.904 0.000 -3.524) 9.576 6.036 ( -2.974 -0.000 -0.981) 3.132 6.041 ( -0.448 -0.000 -5.061) 5.081 6.154 ( -1.055 -0.000 0.535) 1.183 6.177 ( 1.026 0.000 1.643) 1.937 7.005 ( -2.329 -0.000 1.708) 2.889 7.129 ( -3.575 -0.000 1.311) 3.808 7.313 ( 7.417 0.000 8.420) 11.221 7.680 ( 2.625 0.000 -8.402) 8.803 18.565 ( -0.458 -0.000 -0.114) 0.472 18.617 ( 1.028 0.000 -0.529) 1.156 18.638 ( -0.474 -0.000 0.226) 0.525 18.683 ( -0.183 -0.000 1.712) 1.722 18.709 ( 1.282 0.000 0.147) 1.290 18.746 ( -0.525 -0.000 -0.610) 0.804 18.906 ( 0.201 0.000 0.147) 0.249 18.940 ( 0.847 0.000 -0.280) 0.892 19.239 ( -1.008 -0.000 -0.034) 1.009 19.304 ( 0.035 0.000 -0.628) 0.629 19.439 ( -0.292 -0.000 0.671) 0.731 19.506 ( 0.661 0.000 -0.098) 0.668 41.877 ( -0.449 -0.000 0.023) 0.450 41.888 ( 0.090 0.000 0.031) 0.095 41.997 ( -0.908 -0.000 0.017) 0.908 42.006 ( -0.464 -0.000 -0.388) 0.605 42.040 ( 0.581 0.000 0.131) 0.596 42.054 ( 0.857 0.000 0.059) 0.859 65.633 ( -4.538 -0.000 1.250) 4.707 65.709 ( -3.212 -0.000 0.157) 3.215 66.050 ( 6.410 0.000 -0.193) 6.413 66.331 ( 11.156 0.000 0.668) 11.176 66.929 ( -7.008 -0.000 21.101) 22.235 68.304 ( -12.347 -0.000 -18.693) 22.403 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -1.227 -2.244 2.397) 3.505 1.115 ( -4.252 -0.055 -5.015) 6.576 1.192 ( -5.056 -0.404 0.402) 5.088 1.368 ( -6.050 -1.473 0.815) 6.279 1.521 ( -5.395 -0.629 -1.420) 5.614 1.730 ( 2.711 2.022 5.872) 6.776 2.081 ( -10.819 1.376 2.791) 11.258 2.226 ( -1.260 4.156 0.290) 4.352 2.298 ( -11.768 -2.112 -12.390) 17.218 2.351 ( -1.163 -5.351 -3.016) 6.252 2.563 ( 4.366 5.040 4.422) 8.001 2.744 ( 2.066 -5.584 3.472) 6.892 3.002 ( 0.613 1.896 4.115) 4.572 3.110 ( 0.586 10.076 6.053) 11.769 3.403 ( 3.365 -5.612 8.481) 10.712 3.474 ( -1.974 -0.768 -1.600) 2.654 3.559 ( 2.173 -0.228 4.581) 5.076 3.650 ( -2.072 1.591 -4.526) 5.226 3.913 ( 2.473 -2.038 0.609) 3.262 3.982 ( -4.040 1.809 2.004) 4.859 4.019 ( 0.653 -3.430 -5.400) 6.430 4.290 ( -3.315 4.911 -1.334) 6.073 4.356 ( 1.019 -0.078 2.703) 2.889 4.503 ( -1.960 -4.716 -6.536) 8.295 4.688 ( -3.749 1.199 4.347) 5.864 4.779 ( 0.806 -1.579 -7.170) 7.386 4.856 ( -0.649 -0.008 0.055) 0.651 5.031 ( -4.201 -0.127 -0.303) 4.214 5.220 ( 4.603 2.603 -2.780) 5.974 5.267 ( 4.298 -0.433 0.282) 4.329 5.347 ( -1.385 -4.668 -2.395) 5.426 5.600 ( 1.438 6.395 1.893) 6.823 5.752 ( 3.051 2.012 3.909) 5.351 5.838 ( 2.761 -3.546 -1.693) 4.802 5.964 ( -2.014 0.723 -4.786) 5.242 6.030 ( -2.315 -3.960 -1.109) 4.719 6.164 ( 0.828 0.475 1.356) 1.658 6.226 ( 1.985 -1.243 4.877) 5.410 6.954 ( -2.390 4.032 0.937) 4.780 7.112 ( -3.537 -3.853 0.514) 5.255 7.465 ( 6.501 2.520 5.966) 9.176 7.646 ( 2.071 -1.232 -8.131) 8.481 18.560 ( -0.253 -0.026 -0.058) 0.261 18.626 ( 0.886 0.023 -0.576) 1.057 18.633 ( -0.296 0.024 0.013) 0.297 18.692 ( -0.444 0.117 1.573) 1.638 18.726 ( 0.888 0.044 -0.202) 0.912 18.731 ( -0.466 -0.021 -0.745) 0.879 18.912 ( 0.272 -0.016 0.389) 0.475 18.951 ( 1.136 0.204 -0.342) 1.204 19.228 ( -0.593 0.016 0.236) 0.638 19.297 ( -0.189 0.277 -0.545) 0.640 19.441 ( -0.163 0.084 0.715) 0.738 19.512 ( 0.405 0.015 -0.241) 0.471 41.869 ( -0.243 0.542 0.167) 0.617 41.888 ( 0.032 0.220 -0.009) 0.222 41.974 ( -0.258 1.113 -0.229) 1.166 42.011 ( -0.842 -1.448 -0.010) 1.676 42.042 ( 0.871 0.750 -0.125) 1.156 42.077 ( 0.344 -1.420 0.488) 1.541 65.604 ( -2.370 -0.892 1.887) 3.158 65.693 ( -0.180 -0.396 0.839) 0.945 66.113 ( 5.433 2.964 -0.227) 6.194 66.581 ( 12.648 -12.894 1.080) 18.094 66.968 ( -9.447 0.590 20.214) 22.320 67.935 ( -16.173 3.127 -19.235) 25.324 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -1.951 -3.660 -1.408) 4.380 1.040 ( -4.939 -4.860 0.386) 6.940 1.122 ( -5.837 -2.559 0.133) 6.374 1.325 ( -8.366 -4.522 4.271) 10.425 1.462 ( -1.469 0.205 -2.708) 3.087 1.786 ( 2.280 2.862 5.446) 6.562 1.942 ( -9.761 -1.058 1.086) 9.878 1.977 ( -15.538 -2.735 -15.283) 21.965 2.251 ( 3.213 1.116 3.270) 4.718 2.399 ( -0.343 -3.845 -1.264) 4.062 2.618 ( 5.314 2.336 2.526) 6.331 2.815 ( 5.238 6.744 2.854) 9.003 3.006 ( -0.629 6.164 -0.519) 6.217 3.097 ( 0.866 -7.079 7.236) 10.160 3.428 ( -2.947 2.358 -1.310) 3.995 3.498 ( -1.528 0.477 3.070) 3.463 3.554 ( 1.041 3.579 -2.238) 4.347 3.649 ( -0.685 -2.918 2.692) 4.029 3.879 ( -3.263 5.665 3.317) 7.331 3.945 ( 2.081 3.707 -1.732) 4.591 4.029 ( -3.934 -7.094 -7.297) 10.911 4.219 ( -2.995 -2.701 -1.040) 4.165 4.401 ( -0.580 -3.613 0.637) 3.714 4.484 ( 1.428 -0.939 -6.755) 6.967 4.679 ( -2.729 -1.267 3.899) 4.925 4.737 ( 2.814 0.055 -6.686) 7.254 4.861 ( -1.586 -1.712 2.676) 3.551 5.045 ( 0.699 -2.287 4.604) 5.188 5.217 ( 0.436 1.183 0.346) 1.308 5.315 ( 2.912 0.911 0.926) 3.189 5.436 ( 3.938 -4.952 1.347) 6.469 5.567 ( 3.348 6.975 1.462) 7.874 5.790 ( 1.660 2.203 2.675) 3.843 5.847 ( -1.137 -0.794 -5.487) 5.659 5.920 ( 0.393 -0.864 -2.721) 2.882 6.022 ( -2.309 -1.985 -0.274) 3.057 6.187 ( 1.207 0.880 2.935) 3.294 6.350 ( 3.559 -3.800 8.197) 9.711 6.884 ( -1.298 3.562 1.114) 3.952 7.114 ( -2.895 -3.698 -1.600) 4.961 7.453 ( 1.428 6.385 -6.278) 9.067 7.696 ( 3.344 -2.903 2.026) 4.870 18.559 ( 0.030 -0.077 0.048) 0.095 18.627 ( 0.245 0.092 -1.070) 1.102 18.632 ( 0.236 0.100 0.218) 0.336 18.691 ( -0.810 0.373 1.221) 1.512 18.711 ( -0.945 -0.158 -1.086) 1.448 18.741 ( 1.045 0.140 -0.175) 1.069 18.918 ( 0.130 0.046 0.513) 0.531 18.957 ( 0.778 0.558 -0.458) 1.061 19.228 ( 0.071 -0.009 0.550) 0.555 19.286 ( -0.201 0.273 -0.426) 0.544 19.443 ( -0.166 0.179 0.776) 0.813 19.513 ( 0.030 0.032 -0.415) 0.417 41.860 ( 0.028 0.806 0.324) 0.869 41.885 ( -0.008 0.156 -0.069) 0.171 41.961 ( 0.229 0.631 -0.553) 0.870 42.017 ( -0.652 -0.979 0.251) 1.203 42.044 ( 0.608 0.415 -0.269) 0.784 42.103 ( -0.141 -1.470 1.133) 1.861 65.616 ( -0.080 -1.042 2.137) 2.379 65.725 ( 3.215 0.300 1.552) 3.583 66.141 ( 3.128 1.043 -0.011) 3.297 66.800 ( -6.936 2.543 10.606) 12.925 67.179 ( 13.011 -20.148 5.493) 24.605 67.511 ( -14.719 3.534 -14.808) 21.176 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -6.759 -0.000 4.924) 8.362 0.964 ( -11.895 -0.000 -3.009) 12.270 1.144 ( -2.863 -0.000 1.985) 3.484 1.248 ( -9.851 -0.000 1.586) 9.978 1.464 ( -1.117 -0.000 -2.473) 2.714 1.828 ( 3.273 0.000 4.765) 5.781 1.942 ( -17.450 -0.000 -15.557) 23.378 1.957 ( -15.198 -0.000 11.044) 18.787 2.277 ( 1.896 0.000 0.283) 1.917 2.322 ( 2.623 0.000 -1.789) 3.175 2.701 ( 5.898 0.000 -0.389) 5.911 2.734 ( 2.563 0.000 4.811) 5.451 3.044 ( 0.976 0.000 -0.192) 0.994 3.229 ( -4.506 -0.000 2.980) 5.403 3.455 ( 2.782 0.000 9.314) 9.720 3.474 ( 0.824 0.000 4.141) 4.222 3.563 ( -4.134 -0.000 -0.069) 4.135 3.636 ( 1.115 0.000 -5.825) 5.931 3.849 ( -0.463 -0.000 -5.950) 5.968 3.936 ( -5.818 -0.000 -2.629) 6.384 3.979 ( 2.178 0.000 2.506) 3.320 4.236 ( -10.007 -0.000 -1.986) 10.202 4.385 ( 4.217 0.000 -0.623) 4.262 4.451 ( 3.685 0.000 -5.354) 6.500 4.660 ( -5.184 -0.000 4.698) 6.996 4.740 ( 3.069 0.000 -8.615) 9.145 4.890 ( 0.605 0.000 6.352) 6.381 4.951 ( -4.454 -0.000 0.550) 4.488 5.251 ( -2.240 -0.000 -2.043) 3.031 5.339 ( 7.422 0.000 -4.144) 8.500 5.349 ( 5.458 0.000 7.219) 9.050 5.687 ( 3.614 0.000 -0.388) 3.635 5.820 ( 3.195 0.000 -6.080) 6.869 5.845 ( 0.659 0.000 5.723) 5.761 5.927 ( 0.719 0.000 -3.772) 3.840 5.943 ( -4.862 -0.000 1.888) 5.215 6.204 ( 1.528 0.000 2.385) 2.832 6.284 ( 0.794 0.000 8.221) 8.259 6.963 ( -1.669 -0.000 -0.228) 1.685 7.032 ( -3.464 -0.000 0.579) 3.512 7.560 ( -0.431 -0.000 -11.975) 11.983 7.642 ( 7.099 0.000 7.085) 10.029 18.557 ( -0.004 -0.000 0.028) 0.028 18.629 ( 0.273 0.000 -0.967) 1.005 18.633 ( 0.284 0.000 0.196) 0.345 18.697 ( -0.589 -0.000 1.367) 1.489 18.709 ( -0.964 -0.000 -1.130) 1.485 18.743 ( 1.034 0.000 -0.217) 1.057 18.919 ( 0.190 0.000 0.546) 0.578 18.967 ( 1.402 0.000 -0.663) 1.551 19.227 ( 0.045 0.000 0.545) 0.547 19.291 ( -0.188 -0.000 -0.613) 0.642 19.446 ( -0.128 -0.000 0.957) 0.965 19.513 ( 0.038 0.000 -0.407) 0.409 41.872 ( -0.096 -0.000 0.434) 0.444 41.890 ( 0.050 0.000 -0.067) 0.084 41.982 ( -0.386 -0.000 0.368) 0.533 41.988 ( -0.305 -0.000 -0.445) 0.540 42.057 ( 0.442 0.000 0.177) 0.476 42.073 ( 0.361 0.000 0.078) 0.370 65.602 ( 0.611 0.000 1.730) 1.835 65.725 ( 3.565 0.000 2.084) 4.129 66.224 ( 5.233 0.000 0.529) 5.260 66.629 ( 9.297 0.000 -0.235) 9.300 66.970 ( -13.155 -0.000 19.992) 23.932 67.569 ( -17.619 -0.000 -18.507) 25.553 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -13.563 -3.148 0.973) 13.958 0.848 ( -12.206 -8.614 3.795) 15.414 1.082 ( -9.046 0.801 5.162) 10.446 1.188 ( -4.214 -4.322 2.627) 6.583 1.436 ( -0.176 0.239 -2.258) 2.277 1.599 ( -15.022 -0.335 -13.684) 20.323 1.829 ( -10.160 2.132 7.511) 12.814 1.909 ( 1.311 0.373 4.997) 5.180 2.318 ( 2.369 -0.729 1.497) 2.896 2.357 ( 1.265 -2.499 -0.570) 2.859 2.736 ( 5.392 3.120 0.109) 6.230 2.866 ( 3.018 -5.960 0.502) 6.700 3.032 ( 0.394 2.037 -4.722) 5.158 3.150 ( -1.681 2.717 4.381) 5.422 3.407 ( -2.633 5.464 -1.673) 6.292 3.466 ( -6.575 -0.069 1.231) 6.690 3.597 ( 1.634 1.800 -4.361) 4.992 3.626 ( -0.142 -5.801 3.729) 6.897 3.778 ( -5.273 0.876 -5.119) 7.401 3.921 ( -0.635 -3.752 3.921) 5.464 4.027 ( -0.515 3.665 -5.117) 6.315 4.090 ( -2.548 -3.212 -0.444) 4.124 4.400 ( 1.359 1.517 -1.412) 2.478 4.458 ( 2.157 -0.328 -5.762) 6.162 4.642 ( -3.482 -2.723 3.199) 5.457 4.749 ( 3.312 -1.268 -1.818) 3.986 4.874 ( -1.272 3.505 4.168) 5.592 5.022 ( -0.691 -6.570 5.223) 8.422 5.242 ( 1.321 -2.024 0.001) 2.417 5.373 ( 4.140 3.442 -2.717) 6.030 5.480 ( 3.414 -1.246 5.309) 6.433 5.680 ( 2.211 4.766 -4.007) 6.608 5.803 ( 0.419 2.023 -4.342) 4.808 5.852 ( -0.433 1.923 0.089) 1.973 5.910 ( 2.637 -1.798 0.329) 3.209 5.992 ( 1.277 -2.532 4.842) 5.611 6.234 ( 0.782 0.890 2.738) 2.983 6.421 ( 2.774 -5.581 14.417) 15.707 6.916 ( -0.813 2.427 0.188) 2.566 7.024 ( -1.646 -2.900 -1.580) 3.690 7.417 ( -3.038 2.721 -12.941) 13.568 7.780 ( 5.217 0.430 5.320) 7.464 18.560 ( 0.242 -0.083 0.136) 0.290 18.623 ( 0.258 0.122 -1.357) 1.386 18.638 ( 0.134 0.068 0.376) 0.405 18.687 ( -0.913 -0.032 -1.010) 1.362 18.695 ( -0.802 0.444 1.003) 1.359 18.753 ( 0.776 0.051 -0.335) 0.847 18.924 ( -0.001 0.074 0.535) 0.540 18.971 ( 0.757 0.863 -1.199) 1.660 19.237 ( 0.581 -0.014 0.736) 0.938 19.283 ( -0.054 0.190 -0.548) 0.583 19.451 ( -0.218 0.315 1.151) 1.213 19.507 ( -0.275 0.026 -0.535) 0.602 41.873 ( 0.057 0.479 0.477) 0.679 41.888 ( 0.037 0.317 -0.133) 0.346 41.970 ( 0.115 0.875 -0.226) 0.911 41.995 ( -0.411 -1.244 0.161) 1.321 42.059 ( 0.464 0.703 -0.125) 0.852 42.088 ( -0.163 -1.574 0.633) 1.704 65.642 ( 3.007 -0.344 1.068) 3.209 65.822 ( 7.543 0.319 3.134) 8.175 66.217 ( 0.912 6.128 0.860) 6.255 66.784 ( -7.085 -0.666 7.437) 10.293 67.049 ( -5.125 -11.557 -2.457) 12.879 67.250 ( -1.867 -15.453 -3.816) 16.026 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -17.382 -0.000 7.123) 18.785 0.639 ( -15.595 -0.000 13.077) 20.353 0.859 ( -25.057 -0.000 11.525) 27.580 1.195 ( 2.216 0.000 1.024) 2.441 1.355 ( -5.925 -0.000 -13.674) 14.902 1.428 ( 0.116 0.000 -2.466) 2.469 1.763 ( -12.051 -0.000 11.389) 16.582 1.961 ( 1.189 0.000 2.543) 2.807 2.341 ( 0.717 0.000 0.755) 1.042 2.351 ( 1.765 0.000 -1.974) 2.648 2.826 ( 3.206 0.000 -3.881) 5.034 2.841 ( 1.664 0.000 0.509) 1.740 3.020 ( 3.587 0.000 -8.179) 8.931 3.118 ( -3.487 -0.000 -0.716) 3.560 3.345 ( -5.500 -0.000 0.044) 5.500 3.482 ( -1.738 -0.000 -6.077) 6.320 3.487 ( -3.382 -0.000 0.570) 3.430 3.586 ( -2.522 -0.000 -3.072) 3.974 3.790 ( 0.772 0.000 -2.391) 2.513 3.858 ( -7.860 -0.000 -6.006) 9.892 3.987 ( 4.495 0.000 10.240) 11.183 4.157 ( 5.639 0.000 1.439) 5.820 4.417 ( 2.276 0.000 -4.669) 5.194 4.427 ( -0.500 -0.000 -1.541) 1.620 4.571 ( -5.704 -0.000 3.263) 6.571 4.776 ( 1.128 0.000 2.923) 3.133 4.960 ( 1.617 0.000 2.492) 2.970 4.966 ( -3.046 -0.000 4.777) 5.666 5.245 ( 2.361 0.000 1.224) 2.660 5.441 ( 3.998 0.000 -2.999) 4.998 5.536 ( 1.798 0.000 0.564) 1.885 5.679 ( 1.251 0.000 -8.020) 8.117 5.800 ( -3.271 -0.000 -2.241) 3.966 5.822 ( 0.188 0.000 -1.054) 1.071 5.960 ( 1.501 0.000 3.505) 3.813 6.077 ( 5.656 0.000 4.392) 7.161 6.271 ( 0.314 0.000 2.872) 2.889 6.593 ( 7.515 0.000 29.377) 30.323 6.906 ( -1.187 -0.000 -1.379) 1.819 6.994 ( 1.377 0.000 -2.640) 2.978 7.255 ( -6.515 -0.000 -15.509) 16.822 7.885 ( 3.336 0.000 3.898) 5.131 18.565 ( 0.319 0.000 0.195) 0.374 18.614 ( 0.175 0.000 -1.836) 1.844 18.643 ( -0.108 -0.000 0.818) 0.825 18.668 ( -0.612 -0.000 -0.865) 1.060 18.698 ( -0.433 -0.000 0.950) 1.044 18.759 ( 0.529 0.000 -0.370) 0.645 18.928 ( -0.141 -0.000 0.441) 0.463 18.970 ( -0.019 -0.000 -2.587) 2.588 19.252 ( 0.659 0.000 0.690) 0.954 19.281 ( 0.176 0.000 -0.534) 0.563 19.463 ( 0.016 0.000 1.498) 1.498 19.498 ( -0.346 -0.000 -0.541) 0.642 41.880 ( -0.027 -0.000 0.488) 0.489 41.890 ( 0.097 0.000 -0.172) 0.197 41.976 ( -0.107 -0.000 -0.309) 0.327 41.984 ( -0.055 -0.000 0.394) 0.398 42.068 ( 0.150 0.000 0.138) 0.204 42.076 ( -0.091 -0.000 -0.037) 0.098 65.700 ( 4.906 0.000 -0.246) 4.912 65.988 ( 11.675 0.000 4.653) 12.568 66.270 ( -3.935 -0.000 -1.337) 4.156 66.681 ( -9.542 -0.000 -9.398) 13.393 66.957 ( -1.719 -0.000 -7.030) 7.237 66.959 ( -7.223 -0.000 20.735) 21.957 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -0.429 -0.000 13.620) 13.627 0.821 ( -8.879 -0.000 14.090) 16.655 1.157 ( -1.192 -0.000 -3.521) 3.717 1.200 ( -0.952 -0.000 3.393) 3.524 1.401 ( 6.947 0.000 6.143) 9.273 1.748 ( 5.538 0.000 23.700) 24.338 1.825 ( -16.175 -0.000 11.063) 19.597 1.901 ( -0.092 -0.000 -7.641) 7.642 2.180 ( -4.012 -0.000 -1.685) 4.351 2.365 ( 3.336 0.000 3.660) 4.952 2.586 ( 9.666 0.000 -14.687) 17.582 2.861 ( -4.873 -0.000 3.110) 5.781 2.978 ( 1.387 0.000 -8.971) 9.077 2.999 ( 10.496 0.000 -1.464) 10.597 3.224 ( -6.870 -0.000 -1.766) 7.094 3.341 ( 0.316 0.000 -0.720) 0.786 3.433 ( 5.385 0.000 -5.974) 8.043 3.466 ( 0.365 0.000 -2.646) 2.671 3.606 ( -3.384 -0.000 0.897) 3.501 3.710 ( -1.093 -0.000 -0.753) 1.328 4.239 ( 2.268 0.000 2.455) 3.342 4.305 ( -4.973 -0.000 -0.920) 5.058 4.367 ( 2.011 0.000 5.508) 5.864 4.600 ( 2.740 0.000 2.906) 3.994 4.646 ( -3.673 -0.000 0.229) 3.681 4.788 ( 1.483 0.000 -10.860) 10.961 5.062 ( 9.843 0.000 3.826) 10.561 5.081 ( -3.380 -0.000 2.881) 4.441 5.342 ( -7.246 -0.000 1.878) 7.486 5.355 ( -1.501 -0.000 -1.517) 2.134 5.400 ( 4.646 0.000 -1.945) 5.036 5.533 ( -6.825 -0.000 -4.914) 8.411 5.798 ( 8.736 0.000 3.085) 9.265 5.826 ( 2.483 0.000 -0.535) 2.540 5.844 ( 0.215 0.000 0.207) 0.298 6.027 ( -7.389 -0.000 -4.928) 8.881 6.394 ( -1.297 -0.000 3.996) 4.201 6.513 ( -9.928 -0.000 0.448) 9.938 6.836 ( -2.019 -0.000 -2.948) 3.573 6.856 ( 2.109 0.000 -1.462) 2.566 7.701 ( 9.949 0.000 6.767) 12.032 7.888 ( -6.060 -0.000 -2.040) 6.394 18.572 ( -0.428 -0.000 0.183) 0.465 18.593 ( 1.007 0.000 -0.769) 1.267 18.656 ( -1.110 -0.000 0.263) 1.141 18.661 ( 1.125 0.000 -0.034) 1.126 18.725 ( -0.326 -0.000 0.760) 0.827 18.756 ( 0.393 0.000 -0.538) 0.667 18.931 ( -0.644 -0.000 0.382) 0.749 18.955 ( 1.693 0.000 -0.612) 1.801 19.264 ( -0.870 -0.000 0.155) 0.884 19.276 ( 0.616 0.000 -0.362) 0.715 19.468 ( -1.215 -0.000 0.472) 1.303 19.487 ( 0.781 0.000 -0.335) 0.849 41.881 ( -0.514 -0.000 0.125) 0.529 41.887 ( 0.308 0.000 -0.163) 0.349 41.975 ( 0.557 0.000 -0.006) 0.557 41.978 ( -0.642 -0.000 -0.136) 0.656 42.070 ( -0.210 -0.000 0.030) 0.212 42.072 ( 0.199 0.000 -0.066) 0.210 65.810 ( 4.016 0.000 0.936) 4.123 65.980 ( -9.035 -0.000 -6.819) 11.319 66.325 ( -1.740 -0.000 7.789) 7.981 66.563 ( 14.035 0.000 -0.108) 14.035 66.786 ( -21.610 -0.000 2.115) 21.713 66.880 ( 9.399 0.000 -3.373) 9.986 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -2.361 -0.452 14.465) 14.664 0.947 ( 1.475 -5.006 8.407) 9.895 1.107 ( -2.289 -0.469 -2.333) 3.302 1.225 ( 1.133 -1.676 -0.645) 2.124 1.541 ( 2.895 -1.514 9.585) 10.126 1.684 ( -7.136 2.932 4.915) 9.148 1.867 ( 1.462 -0.988 -5.586) 5.858 2.041 ( 9.897 -1.949 15.075) 18.138 2.100 ( -4.368 0.901 -1.365) 4.664 2.475 ( 1.225 -4.090 9.253) 10.190 2.582 ( 9.845 6.353 -14.263) 18.459 2.798 ( -7.265 -2.246 0.236) 7.608 2.888 ( 2.252 5.423 -10.648) 12.160 3.112 ( -6.902 -0.793 3.859) 7.947 3.121 ( 6.303 -1.373 -8.807) 10.916 3.366 ( 3.919 3.831 -4.274) 6.950 3.399 ( -0.589 -5.678 2.714) 6.321 3.533 ( -0.647 -5.641 -4.335) 7.143 3.703 ( 4.652 -5.213 2.366) 7.377 3.724 ( 2.918 -7.785 -0.139) 8.315 4.234 ( -4.516 -0.146 -0.285) 4.527 4.280 ( 3.021 2.676 3.968) 5.660 4.420 ( 0.542 1.839 4.422) 4.820 4.622 ( -2.075 2.153 -2.876) 4.149 4.655 ( 3.826 -0.710 0.007) 3.891 4.730 ( 3.555 -2.287 -3.902) 5.753 4.956 ( -12.622 1.104 -0.937) 12.705 5.140 ( 1.391 1.912 1.175) 2.640 5.246 ( -2.807 3.345 2.854) 5.217 5.329 ( -4.577 -1.101 -1.203) 4.859 5.419 ( 5.518 4.458 2.048) 7.383 5.601 ( 7.481 -5.244 -2.638) 9.509 5.810 ( -2.751 0.875 -0.847) 3.008 5.837 ( -5.193 -4.635 -3.875) 7.966 5.901 ( 0.156 0.252 -2.202) 2.222 6.000 ( 7.004 -4.753 3.154) 9.033 6.367 ( -4.620 4.844 4.547) 8.092 6.387 ( -5.248 3.364 3.355) 7.079 6.803 ( -0.825 -0.293 -0.603) 1.063 6.909 ( 3.115 -3.545 -1.537) 4.963 7.736 ( -8.844 3.468 -4.171) 10.375 7.831 ( 5.761 3.577 5.245) 8.573 18.567 ( -0.460 -0.052 0.147) 0.486 18.599 ( 0.933 0.051 -0.851) 1.263 18.643 ( -0.911 -0.054 0.088) 0.917 18.679 ( 1.359 -0.065 0.005) 1.360 18.721 ( -0.779 0.292 0.948) 1.261 18.753 ( -0.049 0.155 -0.732) 0.750 18.924 ( -0.479 0.171 0.329) 0.606 18.963 ( 1.052 0.791 -0.910) 1.600 19.252 ( -1.041 -0.010 0.239) 1.069 19.282 ( 0.493 0.040 -0.217) 0.541 19.456 ( -0.862 0.170 0.656) 1.097 19.496 ( 0.890 0.100 -0.302) 0.945 41.875 ( -0.468 0.040 0.171) 0.500 41.891 ( 0.291 -0.013 -0.020) 0.292 41.966 ( -0.490 0.447 -0.312) 0.733 41.981 ( 0.766 0.533 0.050) 0.935 42.071 ( -0.280 -0.704 0.119) 0.767 42.078 ( 0.141 -0.549 0.104) 0.577 65.827 ( -6.872 -0.025 -4.219) 8.064 65.864 ( 1.209 0.571 3.950) 4.170 66.295 ( -8.923 3.973 2.991) 10.215 66.550 ( -2.208 -1.728 5.772) 6.416 66.817 ( -0.322 -19.270 -8.680) 21.138 67.115 ( 17.276 -3.720 0.105) 17.673 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -2.137 -3.130 3.245) 4.989 1.059 ( 5.215 -0.514 2.137) 5.659 1.140 ( 0.652 -5.647 5.437) 7.866 1.270 ( 2.515 -3.124 -1.211) 4.189 1.665 ( 0.961 -1.641 7.544) 7.780 1.671 ( 1.666 -1.171 5.491) 5.856 1.854 ( -0.164 0.122 -3.376) 3.382 2.043 ( -2.171 -2.792 -0.737) 3.612 2.262 ( 7.598 -1.677 3.278) 8.443 2.453 ( 7.929 13.095 -14.517) 21.098 2.610 ( -2.516 0.202 2.314) 3.424 2.725 ( -4.018 -1.527 0.322) 4.311 2.793 ( 1.420 1.310 1.369) 2.368 3.044 ( -6.156 -6.742 -3.326) 9.717 3.197 ( 4.442 -3.473 -1.960) 5.970 3.345 ( 2.996 2.889 -1.229) 4.339 3.495 ( -3.008 -6.948 1.258) 7.675 3.574 ( 1.358 -4.552 1.960) 5.139 3.724 ( 1.061 2.250 0.278) 2.503 3.972 ( 2.684 -8.766 -1.118) 9.236 4.178 ( 0.578 -1.985 -2.047) 2.910 4.329 ( 1.732 5.008 2.771) 5.980 4.401 ( -0.909 -0.592 1.834) 2.131 4.520 ( -1.297 1.978 -3.583) 4.294 4.739 ( -0.693 -1.408 -1.211) 1.983 4.775 ( 0.408 0.010 -4.095) 4.115 4.865 ( 3.332 -4.131 5.701) 7.789 5.146 ( 1.297 -0.011 1.669) 2.114 5.161 ( -7.700 0.915 -0.208) 7.757 5.273 ( -0.604 2.729 1.335) 3.098 5.472 ( 7.560 5.803 2.675) 9.899 5.713 ( 0.242 -1.600 2.613) 3.073 5.718 ( -7.687 -2.692 -4.510) 9.310 5.798 ( 0.105 -2.718 -5.052) 5.737 5.902 ( 2.402 1.514 -2.017) 3.483 6.179 ( 4.964 -3.829 5.180) 8.133 6.266 ( -3.522 4.996 2.890) 6.762 6.321 ( -2.871 4.841 5.140) 7.622 6.808 ( 0.192 -0.790 0.949) 1.249 6.994 ( 3.293 -4.951 -1.210) 6.068 7.504 ( -10.243 4.592 -6.921) 13.188 7.873 ( 3.222 5.173 3.641) 7.099 18.564 ( -0.318 -0.044 0.163) 0.360 18.603 ( 0.706 0.003 -0.930) 1.168 18.634 ( -0.625 -0.134 0.123) 0.651 18.698 ( 1.341 -0.091 -0.104) 1.348 18.714 ( -0.891 0.096 1.000) 1.342 18.739 ( -0.530 0.337 -1.087) 1.256 18.921 ( -0.101 0.130 0.404) 0.436 18.956 ( 0.452 0.865 -0.628) 1.161 19.242 ( -0.815 -0.020 0.469) 0.940 19.284 ( 0.241 0.128 -0.201) 0.339 19.451 ( -0.441 0.092 0.727) 0.855 19.502 ( 0.690 0.171 -0.424) 0.828 41.869 ( -0.338 0.342 0.298) 0.565 41.893 ( 0.106 0.213 0.090) 0.254 41.949 ( -0.182 0.752 -0.621) 0.992 41.986 ( 0.832 0.512 0.043) 0.977 42.073 ( -0.616 -0.645 -0.158) 0.905 42.100 ( 0.403 -1.596 1.010) 1.932 65.726 ( -4.111 -0.094 -2.070) 4.603 65.869 ( -5.663 1.852 6.916) 9.128 66.165 ( -1.447 3.380 -0.077) 3.678 66.651 ( -4.821 -9.356 8.630) 13.611 66.945 ( -1.816 -19.055 -14.808) 24.201 67.396 ( 19.290 2.140 2.629) 19.586 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -2.651 -1.611 -0.721) 3.185 1.157 ( 5.720 0.992 2.262) 6.230 1.248 ( 0.834 -3.823 1.346) 4.138 1.341 ( 2.737 -3.284 -1.462) 4.518 1.686 ( -4.313 5.628 4.591) 8.447 1.766 ( 3.581 -1.718 -1.487) 4.241 1.834 ( 0.716 -1.885 -0.385) 2.053 2.062 ( -1.029 -0.304 -5.055) 5.168 2.332 ( 3.121 2.399 -0.371) 3.954 2.377 ( 8.480 -0.870 -4.268) 9.533 2.507 ( -4.787 1.924 1.768) 5.454 2.662 ( -0.144 4.726 -0.236) 4.734 2.900 ( -0.275 -2.792 4.673) 5.450 3.055 ( -1.306 -8.924 -5.874) 10.763 3.314 ( 3.194 -7.063 -0.025) 7.752 3.372 ( 3.681 0.450 2.299) 4.363 3.501 ( -4.536 -4.717 -1.117) 6.638 3.682 ( -0.952 3.672 0.416) 3.816 3.706 ( 1.918 -5.217 6.146) 8.287 3.924 ( -4.822 3.203 -1.482) 5.976 4.177 ( -0.877 2.062 -5.378) 5.826 4.339 ( 1.151 -3.126 -3.344) 4.720 4.433 ( -1.341 0.068 0.488) 1.428 4.462 ( -1.857 2.024 -0.445) 2.782 4.691 ( 1.203 -0.285 -1.457) 1.911 4.809 ( 3.238 2.565 0.236) 4.138 5.022 ( 4.297 -2.012 5.827) 7.515 5.095 ( -3.058 -5.365 2.540) 6.677 5.223 ( 5.493 -0.846 0.528) 5.583 5.249 ( 0.188 3.063 2.871) 4.203 5.503 ( 1.239 3.172 0.649) 3.466 5.610 ( -1.591 3.030 -2.385) 4.172 5.695 ( -7.570 -4.956 -0.506) 9.062 5.811 ( 2.769 2.752 -0.441) 3.928 5.894 ( 2.763 2.230 -2.433) 4.304 6.196 ( -1.427 2.952 1.846) 3.763 6.271 ( -1.727 4.174 4.661) 6.491 6.323 ( 2.572 -3.903 5.379) 7.126 6.836 ( 1.199 -0.413 1.507) 1.970 7.099 ( 3.028 -5.566 -0.594) 6.364 7.260 ( -8.797 2.611 -8.465) 12.485 7.857 ( 1.084 5.340 1.714) 5.712 18.562 ( -0.091 0.015 0.232) 0.250 18.603 ( 0.280 -0.096 -1.124) 1.162 18.633 ( -0.170 -0.200 0.429) 0.503 18.708 ( -0.831 -0.058 0.567) 1.008 18.713 ( -0.202 -0.003 -0.714) 0.742 18.719 ( 0.551 0.230 -0.498) 0.777 18.923 ( 0.037 0.017 0.485) 0.487 18.948 ( 0.259 0.512 -0.338) 0.666 19.238 ( -0.337 -0.010 0.697) 0.775 19.282 ( 0.030 0.182 -0.332) 0.379 19.452 ( -0.203 -0.000 0.835) 0.860 19.503 ( 0.348 0.139 -0.615) 0.721 41.864 ( -0.109 0.436 0.475) 0.654 41.890 ( -0.021 0.530 0.010) 0.531 41.936 ( 0.162 0.381 -0.881) 0.973 41.995 ( 0.676 -0.184 0.148) 0.716 42.068 ( -0.674 -0.111 -0.262) 0.732 42.135 ( 0.246 -1.395 1.552) 2.101 65.687 ( -0.701 -0.751 -0.465) 1.128 65.787 ( -7.296 2.519 4.698) 9.036 66.172 ( 4.491 2.690 3.048) 6.058 66.739 ( -10.221 -12.582 4.481) 16.818 67.004 ( -3.683 -13.160 -10.462) 17.211 67.619 ( 18.947 7.415 1.782) 20.424 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -1.966 -1.011 -0.197) 2.220 1.215 ( 3.079 2.297 1.399) 4.088 1.253 ( -1.745 4.510 0.181) 4.840 1.383 ( 0.713 -1.574 -2.211) 2.806 1.534 ( -6.149 5.572 0.297) 8.304 1.739 ( -3.719 0.294 -7.122) 8.040 1.849 ( -1.164 3.010 1.105) 3.411 1.987 ( 0.555 3.114 1.251) 3.401 2.340 ( 0.064 0.481 0.447) 0.660 2.428 ( -0.106 0.037 -0.088) 0.143 2.619 ( 4.853 -5.979 0.523) 7.718 2.645 ( 5.177 -0.001 5.457) 7.522 2.909 ( -2.592 -3.080 -3.624) 5.416 3.107 ( 1.904 -6.170 -5.332) 8.375 3.376 ( 1.716 0.976 -5.447) 5.793 3.432 ( 0.359 0.423 2.622) 2.680 3.511 ( -1.602 -4.821 3.152) 5.979 3.657 ( -3.212 -1.411 2.080) 4.078 3.767 ( -1.392 -2.021 -2.335) 3.387 3.913 ( 1.478 -2.172 7.699) 8.134 4.082 ( -1.781 4.292 -5.011) 6.833 4.271 ( -6.005 0.284 -3.710) 7.065 4.382 ( -1.262 1.848 -2.458) 3.324 4.423 ( 0.614 1.719 -0.334) 1.856 4.735 ( 2.399 0.419 2.633) 3.587 4.809 ( 1.226 3.193 1.586) 3.770 5.126 ( 5.194 1.394 4.820) 7.222 5.167 ( 0.276 0.423 3.146) 3.186 5.223 ( -1.167 1.507 0.341) 1.936 5.306 ( 1.678 -1.034 -0.736) 2.104 5.456 ( -2.656 -2.160 0.806) 3.517 5.575 ( 1.424 2.250 -2.651) 3.758 5.652 ( -4.495 -2.276 1.757) 5.336 5.805 ( 1.826 1.614 -0.972) 2.624 5.902 ( 4.781 1.519 -2.275) 5.508 6.164 ( -2.141 2.496 3.780) 5.010 6.244 ( -0.809 2.068 3.423) 4.080 6.465 ( 5.029 -5.717 3.185) 8.254 6.872 ( 2.082 0.397 1.919) 2.859 7.065 ( -5.686 1.065 -7.255) 9.279 7.195 ( 0.662 -4.694 -2.283) 5.262 7.821 ( 0.483 3.056 1.226) 3.328 18.564 ( 0.133 0.093 0.332) 0.370 18.597 ( 0.021 -0.160 -1.186) 1.197 18.640 ( 0.128 -0.231 0.742) 0.788 18.689 ( -0.706 0.285 -1.261) 1.473 18.704 ( -1.069 -0.250 0.792) 1.354 18.731 ( 1.060 -0.039 -0.410) 1.138 18.927 ( -0.078 -0.098 0.425) 0.443 18.945 ( 0.155 0.117 -0.210) 0.286 19.244 ( 0.170 -0.006 0.831) 0.848 19.276 ( 0.022 0.185 -0.508) 0.541 19.457 ( -0.185 -0.121 0.970) 0.994 19.499 ( 0.018 0.051 -0.769) 0.771 41.865 ( 0.064 0.069 0.642) 0.649 41.882 ( -0.044 0.443 -0.208) 0.492 41.931 ( 0.404 -0.153 -0.868) 0.969 42.009 ( 0.282 -0.663 0.119) 0.731 42.055 ( -0.458 0.476 -0.197) 0.689 42.159 ( -0.100 -0.146 1.517) 1.528 65.708 ( -2.938 1.604 1.784) 3.793 65.722 ( 2.775 -1.498 1.001) 3.308 66.238 ( 4.467 3.517 6.376) 8.542 66.736 ( -12.146 -12.411 -4.979) 18.065 66.998 ( -9.008 -7.091 -0.418) 11.471 67.767 ( 19.930 12.192 -1.866) 23.437 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -3.312 0.959 1.669) 3.831 1.083 ( -5.630 12.226 3.267) 13.851 1.225 ( 0.182 1.225 -0.005) 1.238 1.349 ( -3.710 1.494 -2.079) 4.507 1.446 ( -2.410 2.985 1.893) 4.278 1.599 ( -10.555 1.470 4.145) 11.435 1.784 ( -2.734 1.539 1.812) 3.624 1.999 ( -0.279 0.449 3.196) 3.239 2.343 ( 1.191 0.961 -2.177) 2.662 2.431 ( 0.313 -0.302 1.021) 1.110 2.662 ( 3.516 -0.125 -2.028) 4.061 2.800 ( 3.283 -2.369 -6.351) 7.532 2.887 ( -0.789 -3.812 -0.463) 3.920 3.180 ( 2.244 -4.532 -3.017) 5.889 3.285 ( 1.320 5.534 -7.227) 9.198 3.424 ( -3.160 -0.437 1.582) 3.561 3.578 ( -2.014 0.790 -0.349) 2.191 3.649 ( 0.901 -5.254 4.001) 6.665 3.788 ( 0.161 -0.970 2.109) 2.327 3.870 ( -3.170 7.618 -4.968) 9.631 4.064 ( -0.735 -1.830 6.176) 6.484 4.169 ( -4.480 1.378 -1.229) 4.845 4.369 ( 0.665 -1.902 0.172) 2.022 4.424 ( 1.882 1.030 0.480) 2.198 4.755 ( -2.195 0.691 2.166) 3.160 4.803 ( 2.340 2.686 1.334) 3.804 5.084 ( -0.880 11.274 4.062) 12.015 5.177 ( -2.641 0.157 1.750) 3.172 5.242 ( 0.968 -1.630 -1.189) 2.238 5.287 ( 1.571 -0.213 -1.624) 2.270 5.491 ( 0.356 -1.936 -2.624) 3.281 5.537 ( -3.070 -3.308 -2.071) 4.965 5.675 ( 1.718 -0.337 2.553) 3.095 5.814 ( 1.076 -0.786 -0.718) 1.514 5.956 ( 5.975 -0.582 -1.041) 6.092 6.136 ( -2.356 2.531 4.687) 5.825 6.254 ( 0.246 -0.994 1.315) 1.667 6.647 ( 7.259 -6.629 0.459) 9.841 6.925 ( 4.306 1.267 4.040) 6.038 6.940 ( -3.844 0.178 -5.680) 6.860 7.182 ( -3.031 0.069 -4.504) 5.430 7.837 ( 1.232 -1.650 2.133) 2.965 18.569 ( 0.272 0.146 0.410) 0.514 18.590 ( 0.022 -0.141 -1.109) 1.118 18.653 ( 0.197 -0.220 0.996) 1.038 18.668 ( -0.490 0.263 -0.948) 1.099 18.699 ( -1.145 -0.407 0.658) 1.382 18.741 ( 0.871 -0.040 -0.542) 1.026 18.930 ( -0.212 -0.238 0.325) 0.456 18.944 ( -0.084 -0.076 -0.283) 0.305 19.255 ( 0.432 -0.029 0.782) 0.894 19.271 ( 0.228 0.160 -0.590) 0.653 19.465 ( -0.347 -0.317 1.044) 1.145 19.491 ( -0.164 -0.021 -0.813) 0.830 41.873 ( 0.071 -0.112 0.698) 0.710 41.877 ( -0.069 -0.276 -0.270) 0.392 41.937 ( 0.536 -0.640 -0.726) 1.106 42.013 ( -0.444 -0.112 -0.370) 0.589 42.048 ( 0.187 0.191 0.298) 0.400 42.158 ( -0.392 1.408 0.951) 1.744 65.679 ( 0.117 0.867 0.511) 1.014 65.836 ( 8.150 -2.590 1.418) 8.668 66.298 ( 2.636 4.105 7.535) 8.976 66.635 ( -11.381 -8.099 -10.660) 17.572 66.926 ( -13.734 -3.804 5.766) 15.374 67.830 ( 20.120 17.556 -7.798) 27.818 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -6.737 3.631 5.402) 9.368 0.916 ( -8.682 6.176 10.880) 15.229 1.206 ( -0.093 0.792 -1.267) 1.497 1.253 ( -2.708 3.847 3.062) 5.613 1.369 ( -4.880 4.883 1.079) 6.987 1.513 ( -6.819 5.050 16.390) 18.457 1.807 ( -5.156 -8.605 5.087) 11.248 2.002 ( -0.774 -0.063 -0.079) 0.780 2.310 ( -0.816 0.748 -3.402) 3.578 2.421 ( -1.572 2.473 -0.563) 2.984 2.693 ( 2.574 -0.655 -5.114) 5.763 2.739 ( 2.507 0.354 -10.613) 10.910 2.944 ( 2.773 0.369 0.242) 2.808 3.111 ( -1.364 4.237 -7.196) 8.462 3.276 ( 1.820 -0.988 -0.932) 2.271 3.402 ( -2.769 -0.942 1.894) 3.484 3.500 ( -1.979 3.468 -2.712) 4.827 3.713 ( -3.719 3.201 -5.085) 7.066 3.755 ( -2.584 2.503 2.428) 4.340 3.810 ( 3.634 1.830 6.038) 7.281 4.069 ( -4.091 0.364 3.921) 5.678 4.153 ( 2.879 -3.424 0.980) 4.579 4.410 ( -0.263 -1.237 2.163) 2.506 4.463 ( 4.619 0.706 2.103) 5.124 4.690 ( -5.061 2.419 0.809) 5.667 4.829 ( 3.568 0.292 -1.173) 3.767 4.991 ( -4.517 3.989 3.495) 6.966 5.108 ( -3.853 2.648 -0.951) 4.771 5.230 ( 0.881 -4.163 -2.549) 4.960 5.381 ( 5.520 0.541 2.103) 5.932 5.457 ( 1.162 2.415 -4.350) 5.109 5.544 ( -2.815 -5.890 -1.253) 6.647 5.722 ( 3.042 0.210 0.744) 3.138 5.830 ( 0.701 -0.168 -0.258) 0.766 6.038 ( 0.847 -2.177 -5.205) 5.705 6.105 ( -0.803 2.454 5.901) 6.441 6.292 ( 0.561 -2.682 1.318) 3.040 6.739 ( -1.248 -4.193 -10.726) 11.584 6.878 ( 0.560 0.185 -1.205) 1.342 7.059 ( -4.508 2.678 -4.466) 6.888 7.093 ( 11.218 -1.453 11.202) 15.920 7.904 ( 0.201 -3.804 1.693) 4.169 18.574 ( 0.186 0.151 0.382) 0.451 18.584 ( 0.231 -0.058 -0.869) 0.901 18.653 ( -0.046 0.185 -0.695) 0.721 18.668 ( -0.072 -0.084 1.324) 1.329 18.696 ( -0.810 -0.762 0.626) 1.276 18.748 ( 0.720 -0.034 -0.581) 0.926 18.932 ( -0.286 -0.303 0.235) 0.478 18.939 ( -0.317 -0.034 -0.241) 0.400 19.266 ( 0.309 -0.060 0.293) 0.430 19.270 ( 0.435 0.132 -0.307) 0.548 19.472 ( -0.596 -0.607 0.937) 1.265 19.484 ( -0.060 -0.061 -0.693) 0.698 41.877 ( 0.134 -0.272 0.012) 0.303 41.884 ( -0.207 -0.533 0.392) 0.693 41.950 ( 0.519 -1.015 -0.517) 1.252 42.000 ( -0.599 0.269 -0.383) 0.761 42.055 ( 0.313 -0.223 0.350) 0.520 42.130 ( -0.613 2.544 0.118) 2.619 65.695 ( 2.811 0.105 -0.257) 2.825 66.029 ( 12.777 -2.864 1.859) 13.226 66.311 ( -2.319 2.057 2.382) 3.910 66.473 ( -8.711 -0.073 -5.307) 10.201 66.822 ( -12.926 -3.054 5.518) 14.382 67.722 ( 13.709 25.602 -15.560) 32.947 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.717 ( -7.976 0.419 12.833) 15.116 0.861 ( -6.917 2.503 11.900) 13.990 1.190 ( -0.036 0.104 -2.372) 2.374 1.236 ( -4.954 6.512 7.216) 10.910 1.273 ( 4.267 1.355 4.801) 6.564 1.555 ( -1.992 2.533 21.673) 21.912 1.874 ( -10.458 -7.988 9.718) 16.358 1.977 ( -2.948 -1.189 -2.965) 4.346 2.247 ( -3.019 -0.089 -4.393) 5.331 2.350 ( 1.324 5.201 -0.366) 5.380 2.611 ( 3.607 1.698 -13.497) 14.074 2.809 ( 6.031 -4.268 -1.811) 7.607 2.937 ( 2.330 4.669 -0.375) 5.232 3.031 ( -0.589 0.392 -3.804) 3.870 3.298 ( 0.642 -1.468 -1.847) 2.445 3.361 ( -4.448 -0.230 -3.138) 5.449 3.433 ( 0.107 3.423 0.944) 3.553 3.558 ( -2.221 8.173 -2.273) 8.769 3.678 ( -3.641 0.979 -1.413) 4.026 3.783 ( -0.833 7.660 -0.780) 7.744 4.137 ( -0.074 -8.303 4.296) 9.349 4.277 ( 3.544 -2.855 4.051) 6.093 4.394 ( -1.579 3.043 -1.160) 3.619 4.565 ( 0.880 -2.035 2.553) 3.381 4.633 ( 3.531 1.919 3.115) 5.084 4.845 ( -1.216 -1.087 -7.549) 7.723 4.918 ( 1.174 -0.013 3.136) 3.348 5.071 ( 0.067 1.154 2.714) 2.950 5.307 ( 3.750 -4.099 -1.196) 5.682 5.388 ( -2.416 -1.518 -3.474) 4.495 5.421 ( -3.653 0.692 2.204) 4.322 5.615 ( 5.023 -2.812 -0.164) 5.759 5.757 ( 3.840 4.143 -0.210) 5.653 5.839 ( 0.498 0.072 0.491) 0.703 5.881 ( -7.118 4.550 -8.619) 12.069 6.129 ( -1.441 1.541 0.487) 2.165 6.352 ( 0.145 -3.023 2.877) 4.176 6.635 ( -7.923 -4.052 -7.228) 11.465 6.867 ( 0.859 2.071 -1.987) 2.996 6.922 ( -4.128 2.175 -4.185) 6.268 7.428 ( 14.696 -4.643 10.715) 18.771 7.938 ( -2.649 -2.749 0.048) 3.818 18.575 ( -0.155 0.087 0.272) 0.325 18.585 ( 0.708 -0.028 -0.655) 0.965 18.650 ( 0.588 0.101 -0.303) 0.669 18.668 ( -1.016 0.022 0.634) 1.198 18.712 ( 0.246 -0.934 1.001) 1.391 18.753 ( 0.599 -0.028 -0.545) 0.811 18.934 ( -0.459 -0.233 0.392) 0.647 18.937 ( 0.508 -0.129 -0.065) 0.528 19.270 ( 0.040 -0.080 0.007) 0.090 19.272 ( 0.268 0.110 -0.223) 0.366 19.476 ( -0.929 -0.618 0.547) 1.243 19.482 ( 0.325 -0.049 -0.490) 0.591 41.883 ( 0.224 -0.207 -0.072) 0.313 41.886 ( -0.357 -0.190 0.176) 0.441 41.965 ( 0.448 -0.759 -0.236) 0.912 41.987 ( -0.590 0.037 -0.161) 0.612 42.065 ( 0.213 -0.329 0.151) 0.420 42.090 ( -0.545 2.052 -0.174) 2.131 65.745 ( 4.354 -0.267 -0.210) 4.368 66.176 ( -8.792 -0.709 -9.876) 13.242 66.267 ( 9.095 -1.814 4.569) 10.338 66.379 ( 2.476 6.047 6.984) 9.564 66.768 ( -6.528 -6.557 2.406) 9.560 67.308 ( -4.689 30.336 -13.854) 33.678 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -3.583 -0.000 8.267) 9.010 1.050 ( 6.337 0.000 6.280) 8.922 1.079 ( 0.170 0.000 2.602) 2.607 1.231 ( 3.195 0.000 -3.491) 4.732 1.643 ( 1.051 0.000 11.747) 11.794 1.670 ( 1.721 0.000 -1.276) 2.142 1.854 ( 0.872 0.000 -0.691) 1.112 2.031 ( -4.710 -0.000 -0.762) 4.771 2.239 ( 7.110 0.000 3.678) 8.005 2.543 ( 3.825 0.000 12.248) 12.832 2.650 ( -9.145 -0.000 0.054) 9.145 2.738 ( 10.535 0.000 -5.951) 12.099 2.822 ( 1.380 0.000 -16.908) 16.964 2.984 ( -7.694 -0.000 -2.338) 8.041 3.186 ( 2.522 0.000 0.318) 2.542 3.374 ( 1.172 0.000 -0.004) 1.172 3.450 ( 3.440 0.000 -0.366) 3.460 3.474 ( 4.987 0.000 -4.722) 6.868 3.736 ( 5.688 0.000 1.788) 5.963 3.760 ( 5.758 0.000 1.388) 5.923 4.181 ( -3.400 -0.000 1.497) 3.715 4.349 ( 2.077 0.000 2.327) 3.119 4.496 ( 0.624 0.000 5.598) 5.633 4.517 ( -6.615 -0.000 -9.536) 11.605 4.703 ( 6.877 0.000 -0.377) 6.887 4.756 ( -10.904 -0.000 -3.220) 11.370 4.815 ( 5.379 0.000 5.769) 7.888 5.140 ( -0.895 -0.000 0.312) 0.948 5.176 ( -6.874 -0.000 -1.332) 7.002 5.307 ( -0.821 -0.000 0.244) 0.857 5.599 ( -8.824 -0.000 -4.534) 9.920 5.619 ( 6.252 0.000 5.589) 8.386 5.660 ( 5.000 0.000 -1.223) 5.148 5.781 ( -0.831 -0.000 -1.475) 1.693 5.937 ( 4.963 0.000 -2.212) 5.433 6.102 ( 4.610 0.000 4.334) 6.327 6.351 ( -5.338 -0.000 3.568) 6.420 6.386 ( -4.402 -0.000 6.789) 8.091 6.810 ( 1.955 0.000 -0.361) 1.988 6.920 ( 2.742 0.000 -0.013) 2.742 7.572 ( -11.247 -0.000 -6.744) 13.114 7.945 ( 2.403 0.000 3.697) 4.410 18.563 ( -0.304 -0.000 0.202) 0.365 18.604 ( 0.694 0.000 -1.048) 1.257 18.633 ( -0.627 -0.000 0.086) 0.633 18.697 ( 1.361 0.000 -0.093) 1.365 18.716 ( -1.065 -0.000 0.891) 1.389 18.744 ( -0.549 -0.000 -0.934) 1.084 18.923 ( -0.227 -0.000 0.377) 0.440 18.969 ( 0.331 0.000 -1.057) 1.107 19.241 ( -0.800 -0.000 0.464) 0.925 19.287 ( 0.392 0.000 -0.249) 0.464 19.452 ( -0.514 -0.000 0.719) 0.884 19.505 ( 0.662 0.000 -0.314) 0.732 41.872 ( -0.268 -0.000 0.236) 0.357 41.894 ( 0.197 0.000 0.051) 0.204 41.964 ( -0.119 -0.000 -0.063) 0.135 41.996 ( 0.710 0.000 0.139) 0.723 42.063 ( -0.276 -0.000 0.109) 0.297 42.076 ( 0.019 0.000 -0.074) 0.076 65.722 ( -4.512 -0.000 -2.118) 4.984 65.892 ( -4.949 -0.000 7.368) 8.876 66.242 ( -3.906 -0.000 -1.024) 4.038 66.525 ( -4.006 -0.000 5.611) 6.895 66.589 ( -1.185 -0.000 -7.354) 7.449 67.442 ( 24.380 0.000 1.739) 24.442 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -2.193 -1.668 1.060) 2.952 1.161 ( 3.086 -1.681 5.200) 6.276 1.171 ( 6.129 0.009 2.352) 6.564 1.263 ( 3.762 -2.283 -3.568) 5.666 1.716 ( 8.859 -0.891 -8.912) 12.598 1.752 ( 0.253 -0.151 11.810) 11.814 1.859 ( -1.918 1.961 4.434) 5.213 1.994 ( -0.231 -1.038 2.748) 2.947 2.311 ( 2.350 -1.799 -1.876) 3.504 2.524 ( -5.925 1.635 -0.373) 6.158 2.633 ( 5.195 9.407 -10.849) 15.270 2.742 ( 4.776 -0.891 2.778) 5.596 2.818 ( -3.390 -4.490 -4.204) 7.023 2.909 ( 0.760 -0.396 5.720) 5.784 3.204 ( 1.099 0.246 1.161) 1.618 3.396 ( -0.676 -2.962 -1.516) 3.395 3.460 ( 5.661 6.288 -1.776) 8.646 3.553 ( 2.319 -4.648 2.776) 5.890 3.797 ( 1.064 1.132 -0.245) 1.573 3.902 ( 3.863 -4.955 -1.011) 6.364 4.171 ( 1.254 -1.017 0.917) 1.857 4.330 ( -4.749 2.652 -7.112) 8.954 4.402 ( 1.072 -1.580 1.887) 2.684 4.505 ( -1.619 1.288 -0.386) 2.105 4.653 ( -3.564 -1.858 2.400) 4.681 4.820 ( 6.983 -2.104 -0.836) 7.341 4.950 ( 5.043 -0.426 5.470) 7.452 5.047 ( -7.896 -0.709 0.641) 7.953 5.184 ( 4.949 -1.110 0.072) 5.073 5.287 ( -1.326 0.026 -0.401) 1.386 5.461 ( -6.857 -3.704 -6.345) 10.049 5.641 ( -1.355 1.793 -0.449) 2.292 5.699 ( 0.001 1.395 1.302) 1.909 5.844 ( 4.646 0.072 4.293) 6.326 5.980 ( 5.486 3.388 -1.867) 6.713 6.173 ( -0.493 -4.608 -0.317) 4.645 6.290 ( -3.638 2.999 2.535) 5.353 6.390 ( -2.593 2.341 10.606) 11.167 6.843 ( 3.271 0.787 0.657) 3.428 6.979 ( 2.349 -3.215 0.715) 4.046 7.334 ( -11.198 2.321 -9.015) 14.562 7.963 ( -0.291 2.606 1.609) 3.076 18.562 ( -0.058 -0.009 0.293) 0.298 18.601 ( 0.241 -0.040 -1.256) 1.280 18.629 ( -0.139 -0.078 0.364) 0.397 18.708 ( -1.047 0.015 0.858) 1.354 18.712 ( 0.612 -0.056 -0.613) 0.868 18.727 ( -0.281 0.221 -0.687) 0.774 18.924 ( -0.079 0.013 0.449) 0.456 18.961 ( -0.084 0.365 -0.679) 0.775 19.238 ( -0.289 0.002 0.680) 0.739 19.287 ( 0.245 0.175 -0.440) 0.533 19.453 ( -0.264 0.049 0.853) 0.895 19.508 ( 0.265 0.140 -0.462) 0.550 41.871 ( -0.050 0.125 0.298) 0.327 41.896 ( 0.015 0.047 0.087) 0.100 41.958 ( 0.209 1.005 -0.154) 1.038 42.002 ( 0.573 0.428 0.034) 0.716 42.061 ( -0.438 -0.119 -0.059) 0.458 42.088 ( 0.020 -1.843 0.507) 1.911 65.670 ( -1.724 -0.452 -0.637) 1.893 65.835 ( -8.635 1.250 5.636) 10.387 66.224 ( 2.867 2.172 2.966) 4.662 66.515 ( -5.563 -4.058 0.891) 6.943 66.619 ( -3.868 -14.063 -3.115) 14.914 67.762 ( 23.909 3.242 -1.162) 24.156 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -0.882 -1.089 0.847) 1.638 1.221 ( 1.479 -0.890 -0.606) 1.830 1.262 ( 4.660 -0.322 0.011) 4.671 1.323 ( 1.870 -2.878 -1.324) 3.679 1.725 ( 1.905 2.258 -9.727) 10.166 1.771 ( -1.734 4.554 3.609) 6.063 1.881 ( 0.050 -0.437 8.493) 8.504 2.071 ( 5.657 2.156 -0.459) 6.071 2.331 ( 0.863 -1.161 -1.976) 2.449 2.477 ( -3.277 -0.789 3.011) 4.520 2.531 ( 8.914 6.828 -4.246) 12.005 2.753 ( -3.737 -0.135 3.468) 5.100 2.793 ( 2.283 -1.331 -7.372) 7.831 3.044 ( 4.208 -0.271 7.148) 8.299 3.258 ( 1.445 -5.233 0.766) 5.483 3.390 ( -2.485 -2.042 -1.603) 3.594 3.479 ( 5.127 2.372 2.628) 6.231 3.634 ( -2.156 -2.987 -0.131) 3.686 3.760 ( -0.955 1.174 0.490) 1.591 3.898 ( -3.495 1.695 1.870) 4.311 4.162 ( 1.883 2.685 -5.441) 6.353 4.284 ( -1.044 -1.000 -3.333) 3.633 4.401 ( -2.402 0.807 0.692) 2.627 4.485 ( 1.834 2.129 0.436) 2.844 4.703 ( 1.930 -3.702 1.418) 4.409 4.893 ( 2.926 3.178 0.385) 4.337 4.983 ( -1.589 -8.598 0.772) 8.778 5.109 ( 3.476 -1.408 5.332) 6.518 5.259 ( -0.734 -0.684 -2.095) 2.322 5.281 ( 3.021 -1.362 0.800) 3.409 5.397 ( -2.119 -4.051 -5.462) 7.122 5.577 ( -3.886 0.575 -0.990) 4.051 5.698 ( 0.175 1.740 2.855) 3.348 5.875 ( -1.538 3.406 1.443) 4.006 5.977 ( 6.003 4.152 -2.964) 7.878 6.198 ( -2.019 -1.001 0.334) 2.278 6.258 ( -0.916 -2.117 0.582) 2.379 6.411 ( -1.125 3.755 11.008) 11.686 6.890 ( 3.689 0.925 1.697) 4.165 7.065 ( 0.014 -4.500 -0.810) 4.573 7.100 ( -6.392 1.182 -7.410) 9.857 7.910 ( -2.060 3.489 -0.349) 4.067 18.566 ( 0.172 0.035 0.402) 0.438 18.593 ( 0.006 -0.117 -1.231) 1.237 18.635 ( 0.180 -0.148 0.662) 0.702 18.696 ( -0.731 0.221 -1.033) 1.285 18.701 ( -1.091 -0.080 0.649) 1.272 18.732 ( 0.947 0.057 -0.221) 0.974 18.926 ( -0.205 -0.038 0.430) 0.477 18.951 ( -0.182 0.260 -0.340) 0.465 19.244 ( 0.232 0.023 0.787) 0.821 19.283 ( 0.223 0.294 -0.660) 0.756 19.457 ( -0.227 0.030 0.990) 1.017 19.502 ( -0.070 0.177 -0.659) 0.686 41.871 ( 0.126 0.321 0.278) 0.443 41.894 ( -0.137 0.280 0.010) 0.312 41.945 ( 0.463 1.271 -0.471) 1.432 42.005 ( 0.433 0.333 0.136) 0.563 42.055 ( -0.540 -0.292 -0.234) 0.657 42.122 ( -0.180 -2.494 1.079) 2.724 65.679 ( 1.636 -1.438 0.392) 2.213 65.749 ( -5.425 1.333 2.521) 6.129 66.284 ( 0.859 -0.293 5.970) 6.039 66.500 ( -4.564 -4.939 -0.310) 6.732 66.705 ( -9.367 -14.615 1.167) 17.398 67.999 ( 22.812 6.374 -5.455) 24.306 ======================= Grid point 145 (69/114) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -0.282 0.129 1.789) 1.816 1.227 ( 0.038 -0.619 -2.548) 2.623 1.302 ( 1.453 1.350 0.252) 1.999 1.345 ( -0.582 -1.397 -2.009) 2.515 1.586 ( -1.513 10.858 -0.617) 10.981 1.693 ( -4.593 5.208 1.321) 7.069 1.935 ( 1.391 3.323 4.724) 5.941 2.037 ( 2.157 5.223 -4.716) 7.360 2.366 ( 4.016 -0.270 -1.217) 4.205 2.424 ( -1.683 1.878 -0.904) 2.678 2.644 ( 2.797 -3.852 0.872) 4.839 2.764 ( 1.350 -4.036 -6.133) 7.465 2.798 ( 4.786 4.324 6.367) 9.063 3.120 ( 3.556 0.831 2.242) 4.285 3.325 ( 1.585 -2.488 -7.050) 7.642 3.383 ( -2.362 -2.886 2.071) 4.266 3.546 ( -0.235 -1.528 4.076) 4.360 3.605 ( -2.202 -0.365 1.625) 2.761 3.757 ( 1.703 -0.641 1.934) 2.656 3.918 ( -3.138 -6.186 5.679) 8.965 4.091 ( 0.658 7.439 -5.662) 9.372 4.198 ( -3.485 2.337 -0.541) 4.231 4.375 ( -1.002 1.139 0.743) 1.689 4.482 ( 3.465 3.748 -0.901) 5.183 4.759 ( 0.174 -1.142 0.028) 1.155 4.873 ( 0.741 2.896 -0.193) 2.996 5.107 ( -0.546 -6.585 1.005) 6.683 5.179 ( -1.520 -2.848 -2.306) 3.968 5.229 ( 1.106 -3.829 -1.462) 4.245 5.343 ( 3.070 2.537 2.191) 4.546 5.378 ( -2.938 -0.760 0.315) 3.051 5.517 ( -2.120 0.179 -2.205) 3.064 5.698 ( -0.561 2.127 4.209) 4.749 5.806 ( -2.108 0.335 -2.206) 3.070 6.001 ( 6.926 3.345 -3.842) 8.597 6.177 ( -2.085 0.758 2.158) 3.095 6.260 ( -2.739 0.001 1.786) 3.269 6.480 ( 3.706 -3.854 2.703) 5.992 6.937 ( -4.419 -0.456 -6.002) 7.468 6.953 ( 4.704 0.968 3.182) 5.761 7.144 ( -0.422 -2.994 0.483) 3.062 7.837 ( -2.198 1.577 -1.097) 2.919 18.572 ( 0.286 0.101 0.463) 0.553 18.586 ( 0.059 -0.145 -1.056) 1.068 18.647 ( 0.285 -0.186 0.978) 1.036 18.675 ( -0.509 0.281 -1.005) 1.161 18.693 ( -1.174 -0.142 0.775) 1.414 18.741 ( 0.798 0.017 -0.378) 0.883 18.926 ( -0.356 -0.134 0.304) 0.487 18.944 ( -0.238 0.051 -0.214) 0.324 19.255 ( 0.488 0.036 0.724) 0.874 19.277 ( 0.379 0.305 -0.769) 0.910 19.461 ( -0.374 -0.026 1.050) 1.115 19.492 ( -0.217 0.114 -0.756) 0.795 41.871 ( 0.145 0.270 0.152) 0.342 41.886 ( -0.165 0.516 -0.120) 0.555 41.936 ( 0.741 0.701 -0.664) 1.217 42.008 ( -0.046 0.028 0.187) 0.195 42.051 ( -0.203 -0.205 -0.126) 0.315 42.152 ( -0.629 -1.753 1.091) 2.159 65.700 ( -1.428 0.774 0.608) 1.734 65.763 ( 5.760 -3.011 1.109) 6.594 66.311 ( -6.093 -5.208 -0.111) 8.016 66.519 ( 0.348 1.128 6.683) 6.786 66.722 ( -14.406 -11.556 4.410) 18.988 68.148 ( 21.548 8.742 -11.129) 25.780 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -1.051 2.272 3.195) 4.059 1.184 ( -2.351 5.219 -1.172) 5.842 1.252 ( -1.191 6.405 1.478) 6.681 1.318 ( -1.030 0.760 -1.391) 1.891 1.491 ( 0.551 5.592 4.993) 7.517 1.562 ( -5.278 5.490 4.194) 8.694 1.885 ( 1.322 10.504 2.997) 11.003 2.004 ( -1.809 -0.327 1.128) 2.156 2.342 ( -1.061 2.281 -3.353) 4.192 2.440 ( 1.646 -0.651 -0.042) 1.771 2.653 ( 0.265 -2.172 -6.070) 6.453 2.766 ( 4.054 1.232 -8.787) 9.755 2.898 ( 2.829 -0.060 6.553) 7.138 3.168 ( 1.728 -0.689 -2.017) 2.744 3.289 ( 1.757 0.987 -3.939) 4.425 3.388 ( -2.237 -0.670 0.679) 2.431 3.537 ( -2.927 -1.103 -0.363) 3.149 3.698 ( 4.993 -3.254 7.473) 9.558 3.831 ( -0.360 -0.319 4.935) 4.958 3.913 ( -0.123 11.774 -3.910) 12.407 3.997 ( -2.237 -7.525 1.301) 7.957 4.158 ( -2.884 1.464 4.916) 5.884 4.370 ( 0.616 -0.255 1.588) 1.722 4.491 ( 4.367 2.196 -1.001) 4.989 4.732 ( -2.911 1.106 -1.881) 3.638 4.853 ( 1.133 1.341 -1.664) 2.419 5.104 ( -7.505 -0.904 -2.832) 8.072 5.118 ( -3.880 -1.780 -0.274) 4.277 5.243 ( -1.083 8.380 0.723) 8.481 5.361 ( 5.655 -4.089 -0.696) 7.013 5.409 ( -1.814 -2.479 1.130) 3.273 5.493 ( 1.085 -0.537 0.073) 1.212 5.715 ( 0.277 -0.838 2.077) 2.257 5.787 ( -0.666 -2.546 -1.388) 2.975 6.016 ( 4.821 2.078 -4.422) 6.864 6.147 ( -3.707 0.966 2.970) 4.847 6.247 ( -0.953 -1.098 0.849) 1.684 6.593 ( 2.506 -7.142 -8.099) 11.085 6.883 ( 0.318 0.194 -0.795) 0.878 7.069 ( 7.548 -0.620 6.668) 10.091 7.120 ( -3.716 1.430 -1.188) 4.155 7.812 ( -1.588 -2.786 -0.710) 3.284 18.577 ( 0.176 0.132 0.338) 0.404 18.583 ( 0.279 -0.093 -0.748) 0.804 18.658 ( 0.069 0.208 -0.331) 0.397 18.665 ( 0.085 -0.105 1.015) 1.024 18.684 ( -1.150 -0.228 0.625) 1.329 18.747 ( 0.641 -0.017 -0.483) 0.803 18.925 ( -0.393 -0.282 0.199) 0.523 18.938 ( -0.302 -0.043 -0.250) 0.394 19.265 ( 0.339 0.036 0.398) 0.524 19.275 ( 0.556 0.234 -0.623) 0.867 19.463 ( -0.618 -0.131 1.005) 1.187 19.483 ( -0.086 0.030 -0.691) 0.697 41.870 ( -0.159 -0.093 -0.197) 0.269 41.880 ( 0.094 0.257 0.184) 0.330 41.937 ( 0.917 0.112 -0.697) 1.157 42.001 ( -0.695 0.083 -0.300) 0.761 42.055 ( 0.378 -0.097 0.451) 0.597 42.161 ( -1.061 -0.300 0.597) 1.254 65.698 ( 1.636 0.113 -0.197) 1.652 65.934 ( 10.654 -4.669 1.387) 11.715 66.246 ( -9.161 -6.155 -6.255) 12.686 66.556 ( -3.330 3.810 11.908) 12.938 66.683 ( -11.872 -5.982 7.428) 15.229 68.183 ( 17.928 12.093 -19.104) 28.855 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -3.632 5.952 5.452) 8.851 1.024 ( -3.252 11.744 6.269) 13.704 1.202 ( -0.505 1.425 -1.284) 1.983 1.305 ( 1.399 0.734 -0.547) 1.672 1.445 ( -1.310 8.964 8.742) 12.589 1.565 ( -2.484 -2.509 10.980) 11.534 1.821 ( 0.079 7.833 8.852) 11.820 1.980 ( -1.682 0.229 -1.549) 2.298 2.258 ( -3.143 1.414 -4.844) 5.945 2.419 ( 0.317 1.877 -4.013) 4.441 2.668 ( 2.416 -0.980 -5.909) 6.459 2.725 ( 4.530 -0.793 -8.833) 9.959 2.947 ( -1.057 0.005 2.326) 2.555 3.132 ( 1.346 4.526 -3.142) 5.672 3.306 ( 1.317 0.492 1.197) 1.846 3.353 ( -1.812 0.152 -3.384) 3.841 3.508 ( -1.294 1.407 0.394) 1.951 3.716 ( -3.372 4.293 -2.612) 6.051 3.824 ( 3.463 9.497 1.865) 10.280 3.912 ( 4.022 -5.097 7.241) 9.725 4.048 ( -4.622 4.814 2.051) 6.981 4.140 ( 1.224 -4.459 3.805) 5.989 4.432 ( 2.066 -1.188 4.111) 4.752 4.518 ( 0.412 -0.952 -1.832) 2.105 4.662 ( -0.537 0.802 -0.139) 0.975 4.835 ( 0.751 0.581 -5.163) 5.249 4.954 ( -6.816 2.709 0.891) 7.389 5.083 ( -2.903 -0.657 0.773) 3.075 5.205 ( -1.501 -0.845 2.027) 2.660 5.379 ( -1.657 0.669 -3.199) 3.664 5.427 ( 2.347 -2.746 -4.417) 5.706 5.587 ( 5.773 -0.583 5.435) 7.951 5.750 ( 0.039 -2.544 0.893) 2.697 5.810 ( -0.074 -2.665 -1.059) 2.869 5.979 ( 0.283 3.432 -7.704) 8.438 6.142 ( -1.682 -1.807 5.999) 6.487 6.269 ( 0.142 -2.443 -0.048) 2.447 6.548 ( -5.609 -3.109 -11.942) 13.555 6.907 ( 3.307 1.115 -1.030) 3.639 7.004 ( -4.543 3.859 -2.346) 6.405 7.302 ( 10.973 -4.489 9.730) 15.337 7.829 ( -2.890 -5.242 -1.245) 6.114 18.578 ( -0.115 0.129 0.159) 0.235 18.584 ( 0.572 -0.051 -0.539) 0.788 18.655 ( 0.556 0.253 -0.313) 0.686 18.669 ( -1.025 0.059 0.646) 1.213 18.689 ( 0.086 -0.680 1.467) 1.619 18.752 ( 0.513 -0.071 -0.547) 0.753 18.925 ( -0.413 -0.415 0.198) 0.618 18.934 ( -0.045 -0.126 -0.237) 0.272 19.269 ( -0.051 0.008 0.113) 0.125 19.276 ( 0.455 0.175 -0.462) 0.671 19.463 ( -0.863 -0.283 0.894) 1.275 19.480 ( 0.329 -0.047 -0.530) 0.625 41.871 ( -0.244 -0.679 0.063) 0.724 41.883 ( 0.161 0.006 0.166) 0.231 41.947 ( 0.932 -0.339 -0.568) 1.143 41.986 ( -0.820 -0.019 -0.639) 1.040 42.066 ( 0.513 0.232 0.746) 0.935 42.140 ( -1.332 1.230 -0.087) 1.816 65.736 ( 3.522 -0.474 -0.109) 3.555 66.121 ( -8.503 -3.694 -8.216) 12.387 66.188 ( 14.138 -5.406 1.961) 15.263 66.493 ( -14.062 -1.065 9.491) 16.999 66.692 ( -1.198 3.326 11.831) 12.348 67.996 ( 8.863 20.174 -27.991) 35.623 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -3.139 4.763 12.440) 13.685 0.957 ( -0.666 6.574 8.625) 10.865 1.162 ( -1.320 0.735 -2.759) 3.146 1.271 ( -2.021 3.893 0.332) 4.399 1.451 ( 4.186 4.442 8.752) 10.670 1.663 ( -5.971 -5.280 12.629) 14.934 1.854 ( 3.982 5.380 14.517) 15.986 1.927 ( -0.569 1.399 -5.039) 5.261 2.163 ( -3.320 -0.136 -4.209) 5.363 2.404 ( 4.177 -1.084 -3.895) 5.813 2.601 ( 2.692 3.974 -8.662) 9.903 2.809 ( 4.572 -6.447 -4.052) 8.882 2.907 ( -5.285 0.698 0.193) 5.334 3.089 ( 3.434 4.334 -0.805) 5.588 3.257 ( -2.915 2.724 -5.919) 7.138 3.329 ( 1.295 -0.949 -2.332) 2.831 3.466 ( -1.331 4.678 2.361) 5.406 3.633 ( -3.211 1.376 -1.866) 3.961 3.731 ( 4.430 12.626 1.652) 13.482 3.853 ( -3.162 10.917 -2.407) 11.617 4.111 ( 4.291 -6.522 6.730) 10.308 4.275 ( -0.539 -4.982 3.902) 6.351 4.407 ( -1.663 2.891 -2.796) 4.352 4.555 ( 1.786 -3.784 2.380) 4.814 4.683 ( -0.874 2.285 1.579) 2.912 4.764 ( 0.754 -0.032 -8.124) 8.159 4.987 ( 5.211 -4.105 5.018) 8.318 5.064 ( -4.146 -1.558 1.375) 4.637 5.208 ( -5.100 -4.470 2.919) 7.383 5.329 ( 0.275 0.007 -3.421) 3.432 5.451 ( 0.988 1.567 -0.285) 1.874 5.641 ( -1.501 -0.672 -6.685) 6.884 5.796 ( 0.861 -2.481 1.469) 3.009 5.847 ( 4.730 0.880 2.684) 5.509 5.881 ( 1.805 4.761 -2.461) 5.655 6.139 ( -2.823 6.254 -2.596) 7.336 6.309 ( -1.516 -5.580 1.615) 6.004 6.410 ( -8.512 -5.483 -3.368) 10.670 6.863 ( -3.810 2.922 -0.665) 4.847 6.930 ( 3.216 3.669 -2.910) 5.681 7.595 ( 9.570 -6.688 8.184) 14.259 7.820 ( -5.566 -4.892 -2.759) 7.908 18.574 ( -0.427 0.113 0.137) 0.463 18.591 ( 0.920 -0.091 -0.657) 1.134 18.656 ( -1.054 0.052 0.291) 1.095 18.663 ( 1.068 0.169 -0.055) 1.083 18.711 ( -0.124 -0.764 1.381) 1.583 18.754 ( 0.327 -0.139 -0.610) 0.706 18.925 ( -0.546 -0.367 0.273) 0.712 18.942 ( 0.882 -0.681 -0.289) 1.151 19.264 ( -0.812 -0.005 0.153) 0.826 19.277 ( 0.544 0.097 -0.412) 0.689 19.460 ( -1.007 -0.343 0.737) 1.295 19.485 ( 0.767 -0.101 -0.386) 0.864 41.877 ( -0.457 -0.610 0.269) 0.808 41.886 ( 0.331 -0.023 0.001) 0.332 41.962 ( 0.821 -0.716 -0.242) 1.116 41.973 ( -0.645 -0.393 -0.631) 0.985 42.073 ( 0.408 0.563 0.667) 0.963 42.100 ( -1.048 1.731 -0.267) 2.041 65.799 ( 3.711 -0.764 1.088) 3.942 65.971 ( -8.480 -1.374 -6.719) 10.906 66.368 ( -10.104 -0.106 7.338) 12.488 66.471 ( 8.420 -4.019 2.510) 9.662 66.758 ( 6.329 3.153 10.296) 12.490 67.492 ( -2.515 30.267 -26.265) 40.153 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.212 -0.000 1.592) 1.606 1.225 ( 2.338 0.000 -2.556) 3.464 1.240 ( 2.184 0.000 4.506) 5.007 1.284 ( 5.656 0.000 -3.349) 6.573 1.731 ( 8.389 0.000 -14.362) 16.633 1.852 ( -4.184 -0.000 2.959) 5.125 1.855 ( 0.580 0.000 11.151) 11.166 2.120 ( 8.365 0.000 9.192) 12.429 2.299 ( 1.379 0.000 -2.506) 2.860 2.454 ( -4.131 -0.000 2.665) 4.916 2.653 ( -8.236 -0.000 -3.082) 8.793 2.709 ( 6.053 0.000 -6.007) 8.528 2.795 ( 2.025 0.000 -2.492) 3.211 3.009 ( 5.051 0.000 8.375) 9.780 3.271 ( 2.490 0.000 5.626) 6.152 3.355 ( -0.380 -0.000 -2.366) 2.397 3.559 ( -2.103 -0.000 3.607) 4.176 3.579 ( 5.317 0.000 -2.757) 5.989 3.760 ( -1.389 -0.000 -1.545) 2.078 3.951 ( 2.963 0.000 -1.120) 3.167 4.195 ( 2.812 0.000 -0.436) 2.846 4.228 ( -0.284 -0.000 -7.894) 7.899 4.423 ( 0.877 0.000 1.290) 1.560 4.515 ( 2.988 0.000 -0.712) 3.072 4.630 ( -2.154 -0.000 3.468) 4.082 4.851 ( -1.827 -0.000 0.594) 1.922 4.950 ( -1.729 -0.000 2.090) 2.712 5.086 ( 4.697 0.000 4.639) 6.602 5.247 ( 3.420 0.000 -2.734) 4.378 5.260 ( -1.050 -0.000 1.206) 1.600 5.333 ( 0.752 0.000 -5.625) 5.675 5.579 ( -4.629 -0.000 -2.290) 5.164 5.714 ( -0.237 -0.000 0.288) 0.373 5.920 ( -2.848 -0.000 3.507) 4.518 6.078 ( 5.441 0.000 -1.960) 5.783 6.098 ( -0.726 -0.000 -1.981) 2.110 6.272 ( -3.628 -0.000 1.852) 4.073 6.473 ( -1.107 -0.000 12.505) 12.553 6.909 ( 4.664 0.000 0.132) 4.666 6.997 ( 0.842 0.000 2.644) 2.775 7.124 ( -9.306 -0.000 -9.807) 13.520 7.958 ( -2.946 -0.000 -0.651) 3.018 18.566 ( 0.189 0.000 0.436) 0.476 18.592 ( 0.007 0.000 -1.264) 1.264 18.634 ( 0.202 0.000 0.632) 0.664 18.699 ( -1.157 -0.000 0.920) 1.478 18.699 ( -0.657 -0.000 -1.273) 1.433 18.733 ( 0.824 0.000 -0.115) 0.832 18.925 ( -0.251 -0.000 0.441) 0.507 18.954 ( -0.363 -0.000 -0.471) 0.594 19.244 ( 0.259 0.000 0.786) 0.827 19.287 ( 0.298 0.000 -0.791) 0.845 19.457 ( -0.254 -0.000 1.014) 1.045 19.505 ( -0.153 -0.000 -0.559) 0.580 41.876 ( 0.183 0.000 0.333) 0.380 41.897 ( -0.123 -0.000 0.037) 0.128 41.972 ( 0.677 0.000 0.083) 0.682 42.009 ( 0.266 0.000 -0.280) 0.386 42.060 ( -0.363 -0.000 0.500) 0.618 42.069 ( -0.423 -0.000 -0.111) 0.437 65.660 ( 0.884 0.000 0.390) 0.966 65.768 ( -6.387 -0.000 2.807) 6.976 66.312 ( -0.843 -0.000 7.194) 7.243 66.391 ( -5.587 -0.000 -5.492) 7.835 66.500 ( -1.574 -0.000 6.067) 6.268 68.077 ( 22.525 0.000 -6.008) 23.312 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 0.949 -0.158 2.787) 2.948 1.216 ( 1.336 -0.008 -4.677) 4.864 1.285 ( -0.887 -1.334 1.939) 2.515 1.331 ( 3.901 0.121 -2.430) 4.597 1.733 ( 6.916 1.803 -9.224) 11.669 1.810 ( -4.147 3.006 5.897) 7.811 1.933 ( -0.588 -0.594 7.057) 7.106 2.196 ( 3.995 5.318 -3.788) 7.654 2.328 ( 2.436 -2.115 -1.633) 3.616 2.490 ( 1.472 0.950 6.386) 6.622 2.557 ( -5.455 -2.469 -2.685) 6.563 2.728 ( 6.671 2.697 0.235) 7.200 2.846 ( 3.306 -2.939 1.958) 4.838 3.145 ( 3.227 -1.968 6.333) 7.376 3.310 ( 2.546 4.613 0.793) 5.328 3.349 ( -0.161 0.172 2.431) 2.442 3.541 ( -5.131 -3.956 2.261) 6.862 3.592 ( 2.800 2.459 -0.228) 3.733 3.772 ( 1.586 0.171 0.884) 1.824 3.865 ( -5.473 4.718 -2.177) 7.547 4.217 ( 6.535 2.583 -6.537) 9.598 4.232 ( -0.881 -1.622 -1.592) 2.438 4.410 ( -1.408 2.189 1.428) 2.968 4.570 ( 6.314 2.360 -0.318) 6.748 4.669 ( 1.043 -5.127 -0.022) 5.232 4.871 ( -1.779 -5.435 3.357) 6.631 4.963 ( 1.619 0.620 0.997) 2.000 5.107 ( -3.621 -2.131 -0.970) 4.312 5.185 ( -1.601 0.084 -8.261) 8.415 5.327 ( 3.372 -0.362 6.771) 7.573 5.393 ( 6.164 -0.125 -2.404) 6.617 5.507 ( -3.643 -1.156 -2.143) 4.382 5.722 ( 1.293 -0.555 -0.388) 1.460 5.820 ( -8.845 0.213 -1.487) 8.972 6.074 ( 3.218 2.433 -2.518) 4.755 6.142 ( -0.630 -3.427 -0.542) 3.527 6.239 ( -1.694 0.768 0.717) 1.993 6.529 ( -1.972 3.525 9.719) 10.525 6.924 ( -5.051 -0.405 -6.634) 8.348 6.973 ( 4.791 0.589 0.783) 4.890 7.072 ( 0.685 -2.036 3.293) 3.932 7.883 ( -4.214 1.391 -2.604) 5.145 18.574 ( 0.301 0.034 0.518) 0.600 18.583 ( 0.093 -0.064 -1.060) 1.066 18.644 ( 0.334 -0.071 0.960) 1.019 18.681 ( -0.524 0.131 -1.043) 1.175 18.690 ( -1.166 -0.039 0.855) 1.447 18.742 ( 0.697 0.036 -0.218) 0.731 18.924 ( -0.460 -0.040 0.335) 0.571 18.945 ( -0.402 0.053 -0.298) 0.504 19.256 ( 0.522 0.033 0.734) 0.901 19.284 ( 0.447 0.168 -1.009) 1.117 19.461 ( -0.391 0.030 1.101) 1.169 19.496 ( -0.323 0.111 -0.655) 0.739 41.880 ( 0.267 0.259 0.227) 0.436 41.893 ( -0.219 0.107 -0.078) 0.256 41.970 ( 0.729 1.713 -0.187) 1.871 42.014 ( 0.432 -0.129 -0.098) 0.461 42.044 ( -0.737 0.397 -0.079) 0.841 42.090 ( -0.523 -2.799 0.517) 2.894 65.704 ( 3.333 -1.129 0.936) 3.641 65.717 ( -2.098 0.207 0.952) 2.313 66.225 ( -7.126 0.903 -1.399) 7.318 66.392 ( -9.599 -11.272 2.064) 14.949 66.594 ( 3.534 1.217 12.993) 13.520 68.284 ( 19.671 2.652 -11.139) 22.761 ======================= Grid point 153 (75/114) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 1.365 0.972 3.352) 3.748 1.194 ( 0.652 -0.509 -5.071) 5.138 1.284 ( -3.005 -1.540 0.872) 3.487 1.346 ( 2.320 1.228 -2.187) 3.417 1.711 ( -1.472 4.770 2.117) 5.422 1.755 ( 1.221 9.761 6.292) 11.678 1.967 ( -2.320 -1.483 3.370) 4.352 2.132 ( 5.239 7.177 -6.561) 11.046 2.372 ( 0.286 -3.844 -1.135) 4.018 2.462 ( 1.570 7.309 -2.209) 7.795 2.555 ( -0.941 -5.054 -0.543) 5.169 2.799 ( 2.598 -0.592 -1.464) 3.040 2.948 ( 3.636 2.458 7.827) 8.973 3.225 ( 2.015 3.208 3.603) 5.228 3.273 ( 2.281 -1.635 -7.105) 7.640 3.393 ( 1.438 1.670 6.193) 6.574 3.528 ( -1.431 2.938 -0.293) 3.281 3.629 ( 1.159 -1.361 5.116) 5.419 3.747 ( -3.519 -5.333 3.545) 7.307 3.834 ( -1.014 -2.916 1.948) 3.650 4.175 ( -3.084 0.573 -0.330) 3.154 4.201 ( 4.594 8.688 -4.225) 10.698 4.387 ( -1.240 0.864 2.017) 2.520 4.595 ( 5.971 5.590 -2.551) 8.568 4.723 ( 0.132 -2.231 -2.059) 3.039 4.877 ( -1.042 0.255 -2.514) 2.733 5.021 ( -3.329 -4.031 1.606) 5.469 5.075 ( -3.323 -1.905 -4.481) 5.895 5.177 ( 4.299 -7.784 -1.378) 8.998 5.375 ( -1.629 2.301 1.842) 3.367 5.426 ( 2.270 1.284 1.294) 2.911 5.468 ( -0.780 -0.341 -4.027) 4.116 5.727 ( -4.039 -2.834 -1.143) 5.065 5.739 ( 0.462 0.990 0.117) 1.098 6.065 ( 1.446 0.955 -2.036) 2.673 6.160 ( -1.027 -1.749 -0.686) 2.141 6.210 ( -2.075 -0.516 -1.063) 2.388 6.486 ( -3.050 0.223 -1.552) 3.429 6.888 ( 1.818 0.341 1.434) 2.340 7.056 ( 5.528 -0.496 2.970) 6.295 7.117 ( -1.621 -1.201 3.088) 3.688 7.787 ( -3.825 0.391 -3.587) 5.258 18.579 ( 0.268 -0.010 -0.431) 0.508 18.581 ( 0.228 0.008 0.092) 0.246 18.659 ( 0.369 -0.080 1.187) 1.245 18.667 ( -0.118 0.176 -0.575) 0.613 18.681 ( -1.164 -0.041 0.728) 1.373 18.748 ( 0.536 0.034 -0.338) 0.634 18.920 ( -0.521 -0.136 0.182) 0.568 18.938 ( -0.358 -0.010 -0.282) 0.456 19.267 ( 0.347 0.073 0.501) 0.614 19.281 ( 0.637 0.217 -0.981) 1.189 19.463 ( -0.599 0.044 1.062) 1.220 19.485 ( -0.159 0.122 -0.631) 0.662 41.879 ( 0.084 0.570 -0.004) 0.576 41.887 ( -0.153 0.257 -0.254) 0.392 41.958 ( 0.921 1.481 -0.420) 1.794 42.010 ( -0.421 0.754 0.033) 0.864 42.043 ( 0.143 -0.941 0.036) 0.952 42.119 ( -0.963 -2.718 0.572) 2.940 65.702 ( 0.651 0.247 -0.014) 0.696 65.822 ( 7.395 -3.849 1.364) 8.447 66.116 ( -7.754 -3.022 -3.625) 9.077 66.386 ( -14.181 -11.043 3.315) 18.277 66.739 ( 3.643 4.137 17.997) 18.823 68.375 ( 15.515 4.541 -16.828) 23.335 ======================= Grid point 154 (76/114) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -0.202 2.709 3.269) 4.251 1.166 ( 0.285 0.284 -4.625) 4.642 1.269 ( -1.337 -0.782 0.274) 1.573 1.329 ( 0.050 2.481 -0.872) 2.630 1.623 ( -4.703 6.493 7.543) 11.008 1.721 ( 5.162 13.065 9.322) 16.859 1.962 ( -3.158 -1.661 0.609) 3.620 2.072 ( 5.339 9.488 -1.381) 10.974 2.331 ( -1.068 4.767 -3.981) 6.302 2.459 ( 1.496 -0.412 0.434) 1.611 2.570 ( -0.467 -2.961 -3.638) 4.714 2.756 ( -0.403 1.445 -8.572) 8.702 3.013 ( 0.994 2.732 7.095) 7.667 3.223 ( 5.447 4.222 -1.971) 7.167 3.303 ( 1.631 -0.489 0.940) 1.945 3.341 ( -3.342 2.244 -1.202) 4.201 3.520 ( -0.969 -0.040 2.281) 2.479 3.741 ( 0.754 -6.770 5.409) 8.698 3.805 ( -1.773 0.321 -1.424) 2.297 3.915 ( 0.303 -6.621 6.639) 9.381 4.106 ( 6.158 10.779 -0.772) 12.438 4.157 ( -3.289 -1.663 5.697) 6.785 4.384 ( -1.027 -0.995 1.655) 2.187 4.568 ( 4.089 4.988 -5.984) 8.798 4.695 ( -0.420 1.670 -2.457) 3.000 4.852 ( 0.543 0.224 -2.252) 2.328 4.992 ( -5.586 -0.039 0.635) 5.622 5.027 ( -3.380 -3.265 -2.965) 5.556 5.238 ( -4.510 0.106 -1.406) 4.725 5.378 ( 4.191 -0.083 -1.791) 4.558 5.416 ( -0.315 1.266 -3.763) 3.983 5.480 ( 1.477 -5.402 2.726) 6.229 5.711 ( -2.021 0.082 0.180) 2.031 5.753 ( 1.938 -2.456 1.144) 3.331 6.060 ( 1.688 1.498 -2.208) 3.157 6.113 ( -4.154 1.096 0.279) 4.305 6.206 ( -1.058 -3.102 -0.623) 3.336 6.444 ( -2.784 -4.794 -8.703) 10.319 6.941 ( 4.780 1.977 1.906) 5.512 7.080 ( -3.865 1.983 0.546) 4.378 7.211 ( 7.073 -3.137 7.239) 10.596 7.725 ( -3.163 -2.703 -3.687) 5.559 18.580 ( 0.200 0.045 -0.179) 0.272 18.583 ( 0.216 -0.005 -0.153) 0.265 18.662 ( 0.499 0.267 -0.316) 0.649 18.670 ( -1.070 0.047 0.619) 1.237 18.678 ( 0.253 -0.246 1.531) 1.571 18.751 ( 0.390 -0.011 -0.479) 0.618 18.916 ( -0.455 -0.276 0.101) 0.542 18.932 ( -0.202 -0.072 -0.345) 0.406 19.270 ( -0.140 0.083 0.215) 0.270 19.281 ( 0.652 0.207 -0.777) 1.035 19.461 ( -0.779 0.030 0.940) 1.222 19.480 ( 0.277 0.071 -0.505) 0.580 41.868 ( -0.299 0.541 -0.165) 0.640 41.883 ( 0.152 0.049 -0.282) 0.324 41.954 ( 1.157 0.911 -0.451) 1.540 41.991 ( -0.913 0.489 -0.314) 1.082 42.062 ( 0.658 -0.682 0.676) 1.164 42.134 ( -1.405 -1.650 0.253) 2.182 65.725 ( 2.588 -0.272 0.037) 2.602 66.008 ( -3.669 -5.370 -0.995) 6.579 66.043 ( 7.965 -5.077 -2.500) 9.771 66.330 ( -15.690 -9.137 4.157) 18.626 66.864 ( 2.108 7.118 20.512) 21.814 68.316 ( 9.025 7.732 -23.375) 26.222 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -1.290 3.835 4.053) 5.727 1.115 ( 0.522 2.802 -3.755) 4.714 1.242 ( -1.322 5.427 2.463) 6.105 1.311 ( 1.237 -0.192 -0.687) 1.428 1.573 ( -2.074 4.690 9.355) 10.668 1.716 ( 3.146 10.842 9.720) 14.897 1.935 ( -2.863 -0.920 -0.819) 3.117 2.040 ( 4.724 8.759 6.667) 11.979 2.219 ( -0.478 5.287 -4.969) 7.272 2.399 ( -0.157 2.260 -9.412) 9.681 2.626 ( 1.360 -5.758 -1.628) 6.137 2.684 ( 0.213 -0.831 -6.150) 6.209 2.992 ( -2.334 5.927 3.734) 7.384 3.214 ( 2.305 6.766 2.036) 7.432 3.285 ( -1.008 -2.511 -2.945) 3.999 3.352 ( 2.325 2.328 -1.153) 3.486 3.508 ( -1.321 0.011 0.999) 1.657 3.657 ( -4.883 1.131 -5.120) 7.166 3.925 ( 2.508 -5.420 6.641) 8.931 4.015 ( 0.822 3.728 4.352) 5.789 4.082 ( -0.641 2.357 2.129) 3.240 4.186 ( 4.139 2.963 3.836) 6.374 4.418 ( -2.037 -3.877 -2.665) 5.127 4.501 ( 1.827 2.799 -2.070) 3.932 4.706 ( 3.738 -0.594 2.878) 4.754 4.818 ( -1.174 3.350 -2.304) 4.232 4.924 ( -1.761 -0.313 2.116) 2.771 5.001 ( -3.753 -3.457 -2.511) 5.687 5.166 ( -4.392 0.121 1.112) 4.532 5.349 ( -0.116 0.923 -6.042) 6.113 5.419 ( 0.486 -2.208 -0.859) 2.419 5.565 ( 0.776 -3.749 -3.638) 5.281 5.719 ( -1.875 -3.555 3.193) 5.133 5.854 ( 6.389 -1.175 3.484) 7.372 5.996 ( -0.166 4.455 -2.901) 5.319 6.118 ( -1.993 -3.950 4.918) 6.615 6.235 ( 0.005 -3.228 -0.334) 3.246 6.341 ( -6.319 -0.909 -11.569) 13.213 6.951 ( -3.005 3.851 0.616) 4.923 7.015 ( 3.377 3.285 -1.246) 4.873 7.434 ( 7.217 -6.126 7.912) 12.337 7.693 ( -3.842 -4.630 -4.295) 7.392 18.577 ( -0.447 0.112 0.083) 0.468 18.589 ( 0.826 -0.070 -0.510) 0.973 18.658 ( -1.017 0.084 0.371) 1.086 18.668 ( 1.026 0.247 -0.101) 1.060 18.698 ( 0.076 -0.330 1.662) 1.697 18.751 ( 0.194 -0.113 -0.676) 0.712 18.916 ( -0.362 -0.360 0.159) 0.535 18.930 ( 0.208 -0.287 -0.342) 0.493 19.264 ( -0.766 0.048 0.158) 0.784 19.281 ( 0.557 0.205 -0.578) 0.828 19.456 ( -0.837 -0.023 0.807) 1.163 19.484 ( 0.727 -0.011 -0.410) 0.835 41.861 ( -0.382 -0.244 0.170) 0.484 41.884 ( 0.250 -0.163 -0.328) 0.443 41.959 ( 1.158 0.474 -0.365) 1.303 41.970 ( -0.806 0.278 -0.623) 1.056 42.084 ( 0.652 -0.052 1.119) 1.296 42.124 ( -1.513 -0.173 -0.165) 1.531 65.776 ( 2.853 -0.955 1.185) 3.233 65.916 ( -7.210 -2.683 -4.671) 9.000 66.249 ( -13.920 -7.612 4.150) 16.399 66.337 ( 16.034 -7.547 0.733) 17.736 66.942 ( 0.422 9.351 20.658) 22.679 68.042 ( 0.523 14.709 -28.382) 31.972 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 1.778 3.090 6.566) 7.472 1.065 ( 0.084 2.758 -2.090) 3.462 1.177 ( -0.790 6.205 4.274) 7.576 1.301 ( 0.490 3.448 -0.403) 3.506 1.598 ( 0.122 2.606 10.937) 11.244 1.679 ( -1.033 5.604 5.187) 7.706 1.895 ( -1.210 0.250 -3.220) 3.449 2.099 ( 2.132 3.279 3.654) 5.352 2.144 ( 6.076 5.463 2.473) 8.537 2.346 ( 4.486 -6.329 -14.358) 16.320 2.630 ( -0.770 1.105 -0.409) 1.407 2.724 ( 0.754 -6.357 -3.397) 7.247 2.874 ( -6.835 6.435 3.124) 9.894 3.179 ( -1.257 4.799 4.371) 6.612 3.237 ( 3.799 6.058 -11.397) 13.454 3.313 ( 0.606 -0.179 -1.397) 1.533 3.535 ( 0.592 0.459 5.265) 5.318 3.593 ( -1.673 0.245 -1.518) 2.272 3.823 ( -7.850 9.237 0.774) 12.147 4.026 ( 3.421 6.231 1.502) 7.265 4.164 ( 3.713 -5.931 3.538) 7.841 4.237 ( 3.407 2.867 -2.727) 5.221 4.384 ( -0.403 -0.766 1.752) 1.954 4.526 ( 0.113 -3.636 -3.155) 4.815 4.738 ( 0.292 3.468 0.031) 3.481 4.780 ( 4.028 2.784 1.468) 5.112 4.930 ( -6.875 -0.847 -2.227) 7.277 5.048 ( 4.567 -6.383 4.843) 9.222 5.153 ( -1.955 -2.915 3.700) 5.100 5.322 ( 0.355 0.671 -1.673) 1.837 5.366 ( -6.054 -2.802 -3.649) 7.604 5.628 ( 7.512 -1.749 -2.635) 8.151 5.755 ( -3.280 -3.603 2.188) 5.341 5.907 ( 1.136 1.542 -3.644) 4.116 5.989 ( -0.234 4.336 4.107) 5.977 6.138 ( -1.767 4.038 -6.576) 7.916 6.200 ( -2.519 -6.739 4.654) 8.568 6.276 ( -1.011 -3.984 0.373) 4.127 6.851 ( -3.488 3.352 0.659) 4.882 7.016 ( 4.380 4.627 -1.991) 6.675 7.599 ( -6.035 -6.693 -1.467) 9.131 7.709 ( 4.831 -5.344 2.169) 7.524 18.569 ( -0.484 0.083 0.080) 0.498 18.598 ( 0.904 -0.059 -0.647) 1.114 18.646 ( -0.884 0.130 0.165) 0.909 18.682 ( 1.317 0.176 -0.041) 1.329 18.712 ( -0.411 -0.306 1.349) 1.443 18.748 ( -0.129 -0.257 -0.915) 0.959 18.918 ( -0.236 -0.292 0.298) 0.480 18.940 ( 0.642 -0.779 -0.373) 1.077 19.252 ( -1.029 0.037 0.249) 1.060 19.282 ( 0.345 0.089 -0.296) 0.463 19.452 ( -0.694 -0.082 0.713) 0.999 19.493 ( 0.883 -0.103 -0.400) 0.975 41.865 ( -0.438 -0.754 0.430) 0.972 41.888 ( 0.228 -0.254 -0.166) 0.379 41.954 ( -0.490 -0.203 -0.837) 0.991 41.969 ( 1.056 0.012 -0.144) 1.066 42.094 ( -0.505 0.642 0.547) 0.983 42.102 ( -0.094 0.958 0.437) 1.057 65.813 ( -5.944 -1.153 -3.589) 7.039 65.838 ( 0.320 -1.462 3.872) 4.151 66.184 ( -9.531 -5.359 1.890) 11.097 66.634 ( 11.171 -0.765 4.222) 11.967 67.009 ( 5.691 5.042 13.096) 15.143 67.557 ( -4.434 21.727 -24.403) 32.973 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 2.062 0.000 4.143) 4.628 1.186 ( 0.993 0.000 -6.109) 6.190 1.260 ( -3.558 -0.000 1.719) 3.952 1.365 ( 3.323 0.000 -2.447) 4.127 1.768 ( -0.484 -0.000 0.784) 0.921 1.877 ( 6.929 0.000 3.010) 7.554 1.947 ( -2.577 -0.000 3.052) 3.995 2.236 ( 2.088 0.000 -4.191) 4.683 2.299 ( -1.137 -0.000 -3.803) 3.969 2.465 ( -0.207 -0.000 2.880) 2.887 2.633 ( 4.371 0.000 2.723) 5.150 2.728 ( -2.266 -0.000 -2.081) 3.077 2.997 ( 10.049 0.000 10.625) 14.624 3.187 ( -1.108 -0.000 4.653) 4.783 3.283 ( -3.871 -0.000 -5.571) 6.784 3.479 ( -1.844 -0.000 10.925) 11.080 3.491 ( 4.320 0.000 6.673) 7.950 3.578 ( -4.096 -0.000 -0.097) 4.097 3.800 ( 1.248 0.000 -0.503) 1.346 3.841 ( 0.228 0.000 -7.120) 7.124 4.163 ( -3.222 -0.000 -2.485) 4.069 4.299 ( 7.238 0.000 -6.448) 9.693 4.420 ( -0.960 -0.000 2.976) 3.127 4.614 ( 0.635 0.000 -2.541) 2.619 4.730 ( 11.246 0.000 -1.069) 11.297 4.866 ( -0.325 -0.000 4.522) 4.534 4.973 ( -2.208 -0.000 3.148) 3.845 4.993 ( -6.045 -0.000 -3.691) 7.083 5.119 ( 2.457 0.000 -9.750) 10.055 5.420 ( -1.294 -0.000 3.221) 3.471 5.435 ( -1.677 -0.000 2.213) 2.776 5.463 ( 5.995 0.000 -3.695) 7.043 5.670 ( -7.988 -0.000 -1.984) 8.231 5.724 ( 2.442 0.000 -3.897) 4.599 6.087 ( -0.015 -0.000 -2.507) 2.507 6.099 ( -2.441 -0.000 1.867) 3.073 6.229 ( -0.485 -0.000 -1.969) 2.028 6.517 ( -8.121 -0.000 -1.048) 8.189 6.896 ( 3.156 0.000 4.120) 5.190 7.047 ( 4.923 0.000 0.193) 4.927 7.097 ( -0.729 -0.000 5.309) 5.359 7.798 ( -4.712 -0.000 -4.605) 6.588 18.579 ( 0.352 0.000 -0.787) 0.862 18.581 ( 0.167 0.000 0.473) 0.501 18.658 ( 0.396 0.000 1.303) 1.362 18.670 ( -0.120 -0.000 -0.730) 0.740 18.681 ( -1.158 -0.000 0.790) 1.401 18.748 ( 0.477 0.000 -0.262) 0.544 18.918 ( -0.576 -0.000 0.200) 0.609 18.938 ( -0.396 -0.000 -0.305) 0.500 19.268 ( 0.344 0.000 0.547) 0.646 19.284 ( 0.660 0.000 -1.145) 1.322 19.463 ( -0.599 -0.000 1.101) 1.254 19.487 ( -0.219 -0.000 -0.587) 0.627 41.887 ( 0.212 0.000 0.148) 0.258 41.890 ( -0.208 -0.000 -0.104) 0.232 41.997 ( 1.000 0.000 -0.049) 1.002 42.009 ( 0.275 0.000 -0.312) 0.416 42.050 ( -0.755 -0.000 -0.159) 0.771 42.052 ( -0.791 -0.000 0.359) 0.869 65.707 ( 0.374 0.000 0.122) 0.394 65.770 ( 5.754 0.000 1.359) 5.913 66.123 ( -7.661 -0.000 -4.259) 8.765 66.185 ( -10.507 -0.000 3.631) 11.116 66.791 ( 3.738 0.000 19.438) 19.795 68.428 ( 14.488 0.000 -15.989) 21.577 ======================= Grid point 161 (80/114) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 1.033 1.246 3.729) 4.066 1.157 ( 1.430 -0.477 -5.791) 5.984 1.228 ( -3.153 -1.398 1.399) 3.722 1.376 ( 2.082 1.263 -2.612) 3.571 1.740 ( -4.218 2.705 5.664) 7.563 1.922 ( -3.909 -0.995 1.283) 4.233 1.988 ( 7.979 7.092 5.280) 11.909 2.215 ( 4.073 3.019 -4.721) 6.928 2.294 ( -0.037 -5.765 -1.254) 5.900 2.531 ( 2.664 -0.171 1.951) 3.307 2.589 ( 1.415 8.412 -0.366) 8.538 2.751 ( -1.588 -3.348 -0.954) 3.826 3.077 ( -3.637 4.914 5.591) 8.284 3.196 ( -3.967 -2.317 -1.268) 4.766 3.275 ( 5.001 -3.015 3.271) 6.693 3.490 ( -5.417 -2.497 -0.186) 5.968 3.548 ( 2.492 3.277 9.836) 10.663 3.678 ( 2.145 -5.285 6.117) 8.363 3.748 ( 3.648 8.467 -1.913) 9.416 3.802 ( 0.155 -1.721 -2.245) 2.833 4.111 ( -4.011 -1.504 -0.129) 4.286 4.302 ( 2.743 2.081 -4.881) 5.973 4.420 ( 0.670 5.046 2.577) 5.705 4.616 ( 0.339 -3.135 -5.626) 6.449 4.797 ( 3.960 7.317 -1.342) 8.428 4.842 ( -0.240 -0.523 -1.641) 1.739 4.950 ( -1.383 -1.903 -1.450) 2.763 4.992 ( -2.038 -1.421 1.347) 2.826 5.135 ( 4.497 -5.370 -5.586) 8.959 5.389 ( -1.689 -0.313 -1.708) 2.423 5.393 ( -3.800 0.793 0.340) 3.896 5.493 ( 3.023 2.118 -1.690) 4.060 5.641 ( -1.417 -4.066 2.294) 4.879 5.727 ( 0.786 -1.287 -4.780) 5.013 6.060 ( -0.974 0.140 0.033) 0.985 6.105 ( -1.424 -2.561 0.195) 2.937 6.185 ( -0.986 1.509 -3.565) 3.995 6.376 ( -7.068 -0.726 -4.382) 8.348 6.999 ( 5.600 2.125 6.112) 8.558 7.104 ( -0.899 0.553 2.291) 2.523 7.142 ( 2.869 -2.445 4.880) 6.166 7.696 ( -3.583 -0.150 -5.988) 6.979 18.580 ( 0.614 -0.016 -0.526) 0.808 18.584 ( -0.197 0.025 0.224) 0.299 18.667 ( 0.459 0.129 -0.328) 0.579 18.671 ( -1.011 -0.020 0.600) 1.176 18.675 ( 0.294 -0.039 1.612) 1.639 18.751 ( 0.292 0.015 -0.398) 0.494 18.912 ( -0.496 -0.083 0.104) 0.514 18.930 ( -0.239 -0.020 -0.378) 0.448 19.272 ( -0.204 0.051 0.291) 0.360 19.285 ( 0.777 0.099 -1.021) 1.287 19.462 ( -0.760 0.054 0.994) 1.252 19.482 ( 0.206 0.066 -0.457) 0.506 41.885 ( -0.176 0.456 -0.039) 0.491 41.887 ( 0.048 0.229 -0.126) 0.266 41.988 ( 0.895 1.823 -0.293) 2.052 42.015 ( -0.896 1.582 -0.163) 1.825 42.033 ( 0.736 -1.592 0.139) 1.759 42.073 ( -1.052 -2.861 0.164) 3.053 65.726 ( 2.155 0.258 0.243) 2.184 65.890 ( 5.705 -3.160 2.274) 6.906 65.984 ( -4.359 0.371 -4.001) 5.929 66.118 ( -10.842 -6.854 2.162) 13.008 66.984 ( 1.671 2.512 23.133) 23.329 68.430 ( 8.288 2.091 -20.484) 22.195 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -2.142 2.111 2.516) 3.921 1.138 ( 1.169 0.028 -5.263) 5.391 1.252 ( 0.989 -2.324 1.856) 3.134 1.351 ( 0.734 2.395 -2.566) 3.586 1.693 ( -3.690 4.196 8.099) 9.839 1.890 ( -4.852 -2.104 1.249) 5.434 1.997 ( 2.930 9.096 4.812) 10.699 2.207 ( 5.082 4.249 -2.257) 6.998 2.395 ( 5.546 -0.557 -0.163) 5.577 2.475 ( -1.990 4.727 1.034) 5.232 2.550 ( -0.455 5.929 -0.802) 6.000 2.672 ( -3.374 1.024 -6.870) 7.722 3.067 ( -1.168 -0.715 4.341) 4.552 3.181 ( -3.774 -5.301 -0.716) 6.547 3.337 ( 0.622 0.011 3.521) 3.575 3.476 ( -1.828 3.617 2.752) 4.898 3.547 ( 5.605 7.639 1.040) 9.531 3.674 ( -3.787 2.006 -1.445) 4.523 3.819 ( 4.692 -4.049 1.472) 6.370 3.878 ( -0.527 -6.368 2.635) 6.911 4.123 ( -1.843 -4.800 6.143) 8.011 4.276 ( 2.953 4.451 -0.108) 5.343 4.365 ( -2.034 2.732 1.503) 3.723 4.586 ( 0.846 0.565 -8.244) 8.307 4.743 ( 2.501 4.264 -2.076) 5.361 4.857 ( 1.452 -1.279 -1.036) 2.195 4.935 ( -1.611 1.516 -2.542) 3.370 4.951 ( -3.524 0.526 1.875) 4.026 5.163 ( -1.406 -1.436 -3.346) 3.903 5.304 ( -3.547 -2.776 -6.871) 8.216 5.450 ( 5.112 2.079 -0.143) 5.521 5.503 ( 0.578 -1.032 4.020) 4.190 5.653 ( -4.237 -1.227 -1.285) 4.595 5.762 ( 4.600 -5.751 -0.257) 7.369 6.063 ( -2.199 -0.782 2.822) 3.662 6.075 ( -1.162 0.943 -3.959) 4.232 6.161 ( 0.602 -1.431 -0.182) 1.563 6.289 ( -4.255 -2.702 -5.426) 7.406 7.050 ( -2.186 4.184 2.456) 5.321 7.083 ( 3.397 2.085 1.648) 4.313 7.296 ( 4.360 -5.213 7.122) 9.844 7.617 ( -2.044 -1.562 -6.691) 7.169 18.579 ( -0.501 0.064 0.048) 0.508 18.588 ( 0.829 -0.042 -0.428) 0.934 18.660 ( -1.003 0.057 0.467) 1.108 18.674 ( 1.010 0.183 -0.143) 1.037 18.693 ( 0.189 -0.073 1.716) 1.728 18.749 ( 0.069 -0.025 -0.663) 0.667 18.909 ( -0.276 -0.173 0.156) 0.361 18.926 ( 0.062 -0.075 -0.430) 0.441 19.266 ( -0.781 0.066 0.166) 0.802 19.286 ( 0.678 0.181 -0.771) 1.043 19.457 ( -0.791 0.100 0.848) 1.164 19.484 ( 0.659 0.069 -0.370) 0.758 41.872 ( -0.350 0.911 -0.026) 0.976 41.884 ( 0.156 0.169 -0.286) 0.367 41.981 ( 0.951 1.137 -0.264) 1.506 41.985 ( -0.685 1.119 -0.382) 1.366 42.065 ( 0.691 -1.366 0.735) 1.698 42.090 ( -1.248 -2.378 -0.003) 2.686 65.759 ( 1.381 -0.336 1.484) 2.055 65.863 ( -5.843 -1.240 -2.268) 6.389 66.058 ( -7.876 -6.813 2.740) 10.768 66.140 ( 11.094 -7.544 -0.885) 13.445 67.130 ( -1.341 5.359 24.729) 25.338 68.274 ( 1.292 5.362 -24.532) 25.144 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -1.202 1.048 3.488) 3.835 1.104 ( 0.584 1.100 -4.444) 4.615 1.278 ( -0.766 1.124 -0.319) 1.397 1.338 ( 2.729 0.272 -0.308) 2.760 1.677 ( -1.963 3.431 9.865) 10.627 1.854 ( -7.195 -1.232 3.514) 8.101 1.930 ( 1.202 8.534 -0.574) 8.637 2.223 ( 5.820 5.014 1.408) 7.810 2.308 ( -3.022 4.281 -9.784) 11.099 2.381 ( 5.390 14.296 -0.793) 15.299 2.557 ( -0.374 -5.818 1.573) 6.038 2.612 ( -2.745 -3.029 -3.581) 5.434 3.035 ( -5.274 4.513 4.641) 8.350 3.208 ( -1.310 -4.810 -0.253) 4.992 3.374 ( 1.537 4.771 2.065) 5.421 3.423 ( 1.870 5.236 -1.382) 5.729 3.540 ( 2.208 6.921 1.375) 7.393 3.566 ( -0.305 -1.307 -2.071) 2.468 3.935 ( -3.409 -7.965 -1.897) 8.869 3.966 ( 1.684 -2.602 6.320) 7.039 4.122 ( -3.466 4.354 -0.038) 5.565 4.310 ( 2.571 -0.446 4.391) 5.108 4.372 ( 0.759 -2.096 1.093) 2.483 4.518 ( 1.594 2.275 -7.383) 7.888 4.770 ( 3.575 -2.036 2.497) 4.812 4.834 ( -4.678 3.968 0.876) 6.197 4.877 ( -0.850 -4.065 -5.076) 6.559 4.939 ( 1.498 0.348 1.470) 2.127 5.131 ( -1.892 0.283 1.447) 2.399 5.274 ( 0.751 -3.412 -4.508) 5.703 5.405 ( -2.946 5.499 0.221) 6.242 5.580 ( 6.114 -1.374 -2.859) 6.888 5.640 ( -4.733 -5.579 3.753) 8.223 5.904 ( 4.581 -3.624 -3.643) 6.884 6.011 ( -2.791 -1.095 3.450) 4.571 6.099 ( 0.203 -1.443 2.035) 2.503 6.175 ( -2.976 0.426 -2.869) 4.156 6.229 ( 1.001 -1.315 -1.498) 2.231 6.951 ( -4.612 4.510 1.047) 6.535 7.119 ( 4.910 3.464 -0.322) 6.018 7.445 ( -2.091 -5.384 2.760) 6.401 7.595 ( 2.959 -3.718 -3.253) 5.758 18.571 ( -0.537 0.042 0.013) 0.539 18.597 ( 0.900 -0.018 -0.481) 1.020 18.649 ( -0.860 0.126 0.290) 0.916 18.687 ( 1.277 0.201 -0.112) 1.298 18.707 ( -0.154 -0.058 1.532) 1.540 18.743 ( -0.232 -0.134 -1.011) 1.046 18.911 ( -0.026 -0.193 0.335) 0.387 18.928 ( 0.435 -0.243 -0.375) 0.624 19.254 ( -1.038 0.060 0.254) 1.071 19.286 ( 0.354 0.216 -0.487) 0.639 19.452 ( -0.636 0.103 0.740) 0.981 19.492 ( 0.845 0.023 -0.403) 0.937 41.859 ( -0.357 0.454 0.283) 0.643 41.883 ( 0.237 -0.025 -0.416) 0.479 41.960 ( -0.686 0.623 -0.589) 1.098 41.983 ( 1.235 0.925 -0.148) 1.550 42.087 ( -1.102 -1.238 0.355) 1.695 42.104 ( 0.393 -0.942 0.716) 1.247 65.774 ( -4.149 -1.782 -0.322) 4.527 65.804 ( -2.468 -1.117 2.034) 3.388 66.044 ( -4.899 -5.326 0.580) 7.260 66.460 ( 17.331 -10.671 -0.297) 20.355 67.200 ( -4.609 7.877 23.705) 25.401 67.948 ( -4.926 10.476 -25.963) 28.427 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -0.928 0.341 1.756) 2.015 1.076 ( 2.350 0.887 -0.489) 2.558 1.260 ( 0.593 1.464 0.956) 1.846 1.355 ( 2.001 2.360 -0.628) 3.157 1.694 ( -4.105 0.620 7.425) 8.507 1.757 ( -3.179 4.989 4.320) 7.325 1.871 ( 1.651 2.414 -3.458) 4.529 2.149 ( -1.779 -1.061 -13.136) 13.298 2.264 ( 4.794 4.708 2.977) 7.349 2.342 ( 8.289 7.345 -0.405) 11.083 2.550 ( -5.866 -3.642 -1.879) 7.156 2.634 ( -1.276 -4.285 -0.642) 4.517 2.929 ( -4.308 6.112 6.281) 9.766 3.214 ( 0.385 3.885 -4.553) 5.997 3.328 ( 1.475 3.407 -1.937) 4.188 3.354 ( 3.602 5.776 -0.712) 6.844 3.574 ( 0.564 -1.529 5.945) 6.165 3.580 ( 1.419 1.222 -0.104) 1.875 3.844 ( -7.780 10.365 2.356) 13.172 3.953 ( -4.608 -6.112 -2.780) 8.144 4.162 ( 2.620 -4.256 -0.801) 5.062 4.363 ( 2.854 1.429 -1.757) 3.644 4.413 ( 1.352 -0.324 3.177) 3.468 4.468 ( 0.574 0.181 -4.115) 4.159 4.749 ( -3.163 -1.590 -8.022) 8.769 4.767 ( -1.225 1.132 0.964) 1.927 4.952 ( 3.881 1.666 4.547) 6.206 5.041 ( 1.765 -8.914 6.123) 10.957 5.160 ( 2.335 -0.361 4.126) 4.755 5.255 ( -3.955 3.841 0.400) 5.527 5.370 ( 5.859 -1.924 -0.039) 6.167 5.627 ( -4.448 -5.527 -0.257) 7.100 5.707 ( 4.079 -2.478 0.894) 4.855 5.891 ( -0.123 0.185 -4.334) 4.340 5.941 ( -7.368 4.698 -6.448) 10.860 6.155 ( -0.878 -2.567 2.999) 4.044 6.163 ( 1.262 -4.091 6.324) 7.636 6.289 ( 4.006 0.999 2.118) 4.640 6.857 ( -2.452 3.133 0.910) 4.082 7.123 ( 3.937 4.726 -1.193) 6.265 7.396 ( -7.487 -3.356 -6.028) 10.181 7.730 ( 4.234 -6.015 2.710) 7.839 18.564 ( -0.362 0.012 0.089) 0.373 18.604 ( 0.731 0.027 -0.729) 1.032 18.639 ( -0.619 0.191 0.229) 0.687 18.702 ( 1.316 0.162 -0.153) 1.334 18.713 ( -0.601 0.029 1.138) 1.287 18.731 ( -0.538 -0.278 -1.268) 1.405 18.917 ( 0.111 -0.119 0.472) 0.500 18.938 ( 0.575 -0.499 -0.306) 0.820 19.242 ( -0.852 0.040 0.484) 0.981 19.283 ( 0.043 0.085 -0.283) 0.298 19.450 ( -0.373 0.056 0.732) 0.823 19.499 ( 0.708 -0.053 -0.515) 0.877 41.857 ( -0.278 -0.281 0.592) 0.712 41.885 ( 0.154 -0.319 -0.333) 0.487 41.942 ( -0.228 0.193 -0.842) 0.893 41.988 ( 1.002 0.728 0.024) 1.239 42.080 ( -1.110 -0.418 -0.196) 1.202 42.126 ( 0.545 0.156 1.528) 1.630 65.723 ( -2.917 -0.339 -1.452) 3.276 65.808 ( -6.490 -2.920 5.861) 9.220 66.077 ( 1.740 -3.621 -0.273) 4.027 66.797 ( 10.957 -3.058 3.587) 11.928 67.197 ( -1.005 5.815 7.171) 9.287 67.538 ( -5.004 11.739 -14.212) 19.101 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -3.228 -0.000 2.118) 3.861 1.136 ( 2.154 -0.000 -5.098) 5.534 1.215 ( 0.470 -0.000 3.130) 3.165 1.384 ( 1.482 -0.000 -3.712) 3.997 1.752 ( -3.325 -0.000 6.341) 7.160 1.860 ( -5.679 -0.000 1.480) 5.868 2.153 ( 3.809 -0.000 -0.854) 3.903 2.198 ( 0.154 0.000 -3.606) 3.610 2.327 ( 5.735 -0.000 5.834) 8.180 2.592 ( 3.166 -0.000 -1.235) 3.398 2.634 ( -4.715 -0.000 1.939) 5.098 2.757 ( 5.133 0.000 -0.742) 5.187 3.013 ( -8.545 -0.000 4.435) 9.628 3.122 ( -5.079 -0.000 0.676) 5.123 3.377 ( -5.626 0.000 1.463) 5.814 3.396 ( 6.351 -0.000 5.019) 8.095 3.650 ( -2.979 0.000 5.000) 5.820 3.667 ( 0.120 -0.000 1.373) 1.378 3.791 ( 2.287 -0.000 -0.956) 2.479 3.876 ( 7.433 -0.000 -3.084) 8.047 4.055 ( -3.453 -0.000 3.543) 4.947 4.304 ( 1.256 -0.000 -1.061) 1.644 4.508 ( -3.733 0.000 -5.601) 6.732 4.517 ( 2.791 -0.000 -1.114) 3.005 4.809 ( -0.636 -0.000 -0.770) 0.998 4.820 ( -2.003 -0.000 -2.234) 3.000 4.963 ( -4.418 -0.000 2.629) 5.141 5.013 ( 6.530 -0.000 -3.193) 7.269 5.098 ( 3.341 -0.000 -5.367) 6.322 5.274 ( -5.877 -0.000 -4.897) 7.649 5.425 ( 2.758 -0.000 3.843) 4.730 5.558 ( 4.896 -0.000 -0.173) 4.899 5.602 ( -3.216 0.000 0.950) 3.354 5.683 ( 1.189 -0.000 -5.837) 5.957 6.047 ( 0.770 -0.000 -1.964) 2.110 6.073 ( -3.015 -0.000 0.859) 3.136 6.165 ( 0.297 -0.000 -1.131) 1.169 6.250 ( -5.554 -0.000 -2.474) 6.081 7.096 ( -1.552 0.000 2.839) 3.236 7.161 ( 2.101 -0.000 0.233) 2.113 7.186 ( 4.277 0.000 10.212) 11.071 7.602 ( -1.506 -0.000 -8.039) 8.179 18.580 ( -0.544 -0.000 0.035) 0.545 18.587 ( 0.859 -0.000 -0.403) 0.949 18.661 ( -0.998 -0.000 0.512) 1.122 18.676 ( 1.007 -0.000 -0.161) 1.020 18.692 ( 0.228 -0.000 1.739) 1.754 18.749 ( 0.017 -0.000 -0.641) 0.642 18.907 ( -0.263 -0.000 0.173) 0.315 18.926 ( 0.062 -0.000 -0.452) 0.456 19.267 ( -0.798 -0.000 0.170) 0.816 19.289 ( 0.752 -0.000 -0.861) 1.143 19.459 ( -0.776 -0.000 0.875) 1.169 19.486 ( 0.617 -0.000 -0.340) 0.705 41.887 ( 0.031 -0.000 0.002) 0.031 41.887 ( -0.245 0.000 -0.030) 0.247 42.017 ( 0.166 -0.000 -0.027) 0.168 42.019 ( -0.143 0.000 -0.124) 0.189 42.030 ( 0.325 -0.000 -0.042) 0.327 42.031 ( -0.528 0.000 -0.040) 0.530 65.759 ( 0.356 -0.000 1.831) 1.865 65.851 ( -6.739 -0.000 -0.484) 6.757 65.975 ( -5.097 -0.000 1.296) 5.259 66.023 ( 10.357 -0.000 -1.586) 10.478 67.196 ( -1.717 -0.000 25.730) 25.787 68.337 ( 1.407 -0.000 -23.122) 23.165 ======================= Grid point 171 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -3.595 0.092 2.231) 4.232 1.124 ( 1.245 0.491 -3.848) 4.074 1.261 ( 0.344 -0.960 2.434) 2.639 1.363 ( 1.613 1.028 -3.998) 4.432 1.749 ( -3.171 2.288 6.558) 7.635 1.799 ( -6.685 -2.010 3.485) 7.802 2.101 ( 0.504 5.998 -1.196) 6.137 2.244 ( 3.387 -3.913 -5.086) 7.256 2.434 ( -1.354 -1.160 5.181) 5.479 2.515 ( -5.125 3.572 -2.895) 6.885 2.561 ( -3.107 4.354 -1.348) 5.516 2.731 ( 2.599 8.223 -0.055) 8.624 3.058 ( -0.584 -3.882 5.571) 6.815 3.083 ( -1.054 -0.830 1.996) 2.405 3.371 ( 0.272 -1.025 6.912) 6.993 3.495 ( 2.211 -1.353 0.601) 2.661 3.562 ( -4.724 3.939 -0.699) 6.190 3.726 ( -2.684 -4.805 -0.928) 5.582 3.827 ( 3.906 -5.347 -2.135) 6.958 3.890 ( 5.707 8.662 -0.366) 10.379 4.094 ( -2.739 -3.697 7.104) 8.464 4.329 ( 2.038 0.634 1.009) 2.361 4.384 ( -3.582 3.369 -1.317) 5.091 4.515 ( -0.526 -1.061 -7.236) 7.332 4.787 ( 0.161 0.909 0.857) 1.260 4.814 ( -0.718 -1.207 -2.125) 2.547 4.878 ( -6.236 -0.195 -3.400) 7.106 5.015 ( 4.002 5.370 -0.174) 6.699 5.138 ( -0.251 -0.020 -0.589) 0.640 5.191 ( -0.290 -3.322 -2.598) 4.227 5.489 ( -5.254 -2.893 3.260) 6.826 5.564 ( 5.395 2.850 -0.121) 6.102 5.578 ( 0.701 1.276 -5.286) 5.483 5.751 ( 5.960 -6.129 0.195) 8.551 6.010 ( -3.901 0.325 -2.569) 4.682 6.065 ( 0.914 -1.256 0.899) 1.795 6.186 ( -1.878 -0.306 -0.725) 2.036 6.191 ( 1.097 -0.597 2.280) 2.600 7.054 ( -4.120 3.193 1.824) 5.523 7.168 ( 0.854 0.357 0.157) 0.938 7.351 ( 4.225 -2.037 7.952) 9.232 7.536 ( 1.233 -1.083 -8.621) 8.776 18.571 ( -0.588 0.007 -0.028) 0.588 18.597 ( 0.917 -0.003 -0.405) 1.002 18.651 ( -0.848 0.050 0.387) 0.934 18.690 ( 1.262 0.088 -0.176) 1.277 18.707 ( -0.025 0.017 1.618) 1.619 18.741 ( -0.306 -0.028 -1.021) 1.066 18.908 ( 0.058 -0.061 0.382) 0.391 18.926 ( 0.470 -0.021 -0.446) 0.648 19.255 ( -1.058 0.032 0.249) 1.088 19.291 ( 0.469 0.122 -0.647) 0.809 19.455 ( -0.609 0.091 0.787) 0.999 19.493 ( 0.796 0.037 -0.363) 0.876 41.878 ( -0.327 0.708 0.077) 0.783 41.887 ( 0.087 0.187 -0.022) 0.207 41.986 ( -0.752 1.657 -0.204) 1.831 42.013 ( 1.081 1.494 -0.156) 1.851 42.040 ( -1.174 -2.260 -0.031) 2.547 42.063 ( 0.838 -2.076 0.412) 2.276 65.745 ( -4.728 -0.293 2.523) 5.367 65.774 ( -5.036 -1.396 0.598) 5.260 65.969 ( 2.255 -0.357 -0.380) 2.314 66.216 ( 12.897 -7.255 -1.086) 14.837 67.334 ( -5.865 2.775 26.177) 26.969 68.105 ( -4.733 2.932 -24.801) 25.418 ======================= Grid point 172 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -0.965 -0.786 2.792) 3.057 1.095 ( -0.280 0.578 -2.246) 2.336 1.254 ( -2.631 -0.098 -0.272) 2.647 1.369 ( 2.416 -0.420 -1.598) 2.927 1.689 ( -9.473 -1.231 3.980) 10.348 1.809 ( -1.643 0.266 8.587) 8.747 2.014 ( 0.870 7.672 -3.114) 8.325 2.185 ( -5.534 4.012 -11.311) 13.216 2.359 ( 1.055 1.574 1.715) 2.555 2.445 ( -8.459 -3.450 -2.865) 9.574 2.533 ( 0.739 -1.533 2.332) 2.887 2.678 ( 6.435 12.384 3.157) 14.308 3.057 ( -3.439 4.101 2.013) 5.718 3.132 ( -0.611 -4.953 3.433) 6.058 3.427 ( 2.089 2.503 0.208) 3.267 3.459 ( -1.687 3.130 -2.863) 4.565 3.567 ( 4.793 -0.420 2.397) 5.375 3.691 ( -3.689 -0.578 1.870) 4.176 3.856 ( 4.059 5.385 -2.187) 7.090 3.968 ( 0.673 -6.349 0.339) 6.393 4.084 ( -5.285 0.201 -0.046) 5.289 4.305 ( -2.047 -1.227 0.199) 2.395 4.383 ( 0.871 -1.033 1.947) 2.369 4.473 ( -0.377 -1.802 -4.927) 5.260 4.724 ( -4.701 -0.485 -6.622) 8.136 4.799 ( -3.629 0.755 1.730) 4.090 4.847 ( 3.498 -2.665 2.974) 5.308 5.017 ( 2.200 3.693 2.179) 4.819 5.122 ( 1.602 -2.288 -0.532) 2.843 5.283 ( 4.456 -1.858 3.608) 6.027 5.435 ( -4.683 0.537 -0.217) 4.719 5.512 ( -0.473 0.568 -2.212) 2.332 5.663 ( 5.981 -0.701 0.613) 6.053 5.873 ( 2.663 -2.594 -5.093) 6.305 5.951 ( -4.505 -2.067 1.536) 5.189 6.086 ( -1.520 -1.037 0.663) 1.955 6.163 ( 0.831 0.611 0.879) 1.355 6.276 ( 4.250 -1.291 5.260) 6.884 6.955 ( -3.760 4.536 0.596) 5.922 7.173 ( -0.603 -1.188 -1.206) 1.797 7.386 ( -0.188 2.791 -4.184) 5.033 7.595 ( 4.852 -4.879 1.664) 7.080 18.564 ( -0.421 -0.023 0.030) 0.423 18.604 ( 0.761 0.030 -0.604) 0.972 18.643 ( -0.610 0.133 0.356) 0.719 18.705 ( 1.312 0.120 -0.280) 1.347 18.715 ( -0.403 0.127 1.253) 1.322 18.726 ( -0.569 -0.108 -1.308) 1.431 18.915 ( 0.254 -0.055 0.556) 0.614 18.932 ( 0.750 -0.052 -0.370) 0.838 19.243 ( -0.892 0.038 0.497) 1.022 19.288 ( 0.042 0.205 -0.481) 0.525 19.453 ( -0.336 0.170 0.787) 0.872 19.499 ( 0.688 0.038 -0.501) 0.851 41.866 ( -0.231 0.831 0.374) 0.940 41.884 ( 0.099 0.251 -0.154) 0.310 41.959 ( -0.400 1.159 -0.432) 1.300 42.011 ( 1.061 1.073 -0.097) 1.512 42.050 ( -1.107 -1.888 -0.064) 2.190 42.103 ( 0.579 -1.875 0.962) 2.186 65.710 ( -2.543 -0.731 0.415) 2.678 65.740 ( -5.948 -2.268 3.612) 7.319 66.019 ( 4.601 -0.350 -0.271) 4.622 66.541 ( 16.659 -13.527 -1.416) 21.506 67.369 ( -10.014 5.970 22.665) 25.488 67.760 ( -8.773 5.800 -22.601) 24.928 ======================= Grid point 173 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -2.014 1.014 -0.732) 2.371 1.117 ( 2.429 -2.784 1.936) 4.171 1.230 ( -2.980 -3.317 0.354) 4.472 1.391 ( 1.925 0.212 -1.571) 2.494 1.598 ( -10.453 -2.057 3.472) 11.205 1.829 ( -1.560 4.609 3.813) 6.182 1.911 ( 0.951 3.925 -3.892) 5.609 1.980 ( -5.792 -0.968 -9.021) 10.763 2.344 ( -3.666 -0.243 3.058) 4.781 2.424 ( -0.211 -2.371 -1.195) 2.663 2.569 ( 2.735 0.636 1.502) 3.184 2.646 ( 5.590 11.074 2.991) 12.761 2.965 ( -2.780 2.836 1.057) 4.109 3.215 ( 1.686 -1.702 -2.608) 3.541 3.348 ( -0.755 2.078 -6.038) 6.430 3.425 ( 2.619 3.509 0.488) 4.405 3.589 ( -1.755 2.322 1.538) 3.292 3.686 ( -0.434 3.139 3.660) 4.841 3.840 ( -0.563 -0.407 -2.151) 2.260 3.900 ( -3.328 6.413 3.099) 7.862 4.084 ( -1.143 -6.018 -4.880) 7.832 4.325 ( -2.433 -3.969 0.625) 4.698 4.400 ( -0.991 -1.866 -3.077) 3.733 4.441 ( -1.337 0.503 -3.204) 3.508 4.672 ( 1.321 -1.618 -1.062) 2.343 4.769 ( -1.170 0.225 2.496) 2.766 4.992 ( 0.201 -8.087 5.231) 9.633 5.056 ( 4.576 -0.223 4.630) 6.513 5.212 ( 3.570 -2.736 1.776) 4.836 5.320 ( -1.526 4.377 1.434) 4.853 5.437 ( 5.361 -1.619 1.996) 5.946 5.502 ( -0.971 -1.708 -0.757) 2.105 5.747 ( 3.949 -1.141 0.320) 4.123 5.826 ( -5.137 1.921 -5.517) 7.779 5.886 ( -1.502 1.448 -1.750) 2.723 6.117 ( -1.722 -3.941 4.189) 6.004 6.198 ( 1.705 -0.166 2.587) 3.103 6.398 ( 5.455 0.654 5.277) 7.618 6.873 ( -1.392 2.838 0.470) 3.196 7.151 ( -2.994 -1.799 -3.464) 4.919 7.286 ( -0.355 4.626 -6.205) 7.747 7.732 ( 3.195 -4.345 2.853) 6.102 18.561 ( -0.146 -0.065 0.163) 0.228 18.605 ( 0.342 0.098 -0.995) 1.057 18.638 ( -0.203 0.212 0.536) 0.611 18.707 ( -0.753 -0.188 -1.263) 1.483 18.714 ( -0.743 0.215 0.799) 1.112 18.719 ( 1.222 0.112 -0.379) 1.284 18.923 ( 0.188 0.023 0.547) 0.579 18.940 ( 0.617 -0.109 -0.276) 0.685 19.239 ( -0.398 0.027 0.746) 0.846 19.281 ( -0.176 0.086 -0.406) 0.451 19.454 ( -0.154 0.183 0.864) 0.897 19.502 ( 0.380 0.009 -0.666) 0.767 41.860 ( -0.095 0.330 0.716) 0.794 41.882 ( 0.069 0.054 -0.296) 0.308 41.940 ( 0.022 0.687 -0.707) 0.986 42.012 ( 0.728 0.919 0.006) 1.173 42.055 ( -0.793 -1.189 -0.157) 1.438 42.138 ( 0.282 -1.196 1.456) 1.905 65.701 ( 0.299 0.067 0.218) 0.377 65.721 ( -5.026 -2.317 3.621) 6.614 66.104 ( 4.890 -2.029 1.946) 5.640 66.905 ( 9.444 -6.497 1.989) 11.634 67.205 ( -7.978 7.942 -11.091) 15.803 67.512 ( -3.899 0.062 5.566) 6.796 ======================= Grid point 179 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -1.948 -0.000 3.829) 4.296 1.102 ( -1.212 -0.000 -3.200) 3.422 1.264 ( -2.444 -0.000 2.137) 3.246 1.358 ( 1.665 0.000 -3.546) 3.918 1.665 ( -11.542 -0.000 3.082) 11.946 1.814 ( 0.070 0.000 7.032) 7.033 2.172 ( 0.966 0.000 0.186) 0.984 2.196 ( 2.553 0.000 -4.839) 5.471 2.312 ( -10.962 -0.000 -9.809) 14.710 2.427 ( -6.554 -0.000 5.496) 8.553 2.622 ( -0.588 -0.000 1.053) 1.206 2.727 ( -2.360 -0.000 1.988) 3.086 3.056 ( -1.304 -0.000 2.200) 2.558 3.227 ( 8.682 0.000 6.744) 10.994 3.448 ( 2.307 0.000 10.186) 10.444 3.480 ( -2.322 -0.000 -1.989) 3.057 3.575 ( -0.739 -0.000 -7.817) 7.852 3.616 ( -0.249 -0.000 4.205) 4.212 3.794 ( 1.226 0.000 -4.107) 4.286 3.991 ( 1.188 0.000 -4.600) 4.751 4.065 ( -5.054 -0.000 5.661) 7.589 4.350 ( -1.751 -0.000 0.097) 1.753 4.355 ( 1.685 0.000 -6.772) 6.979 4.446 ( -2.531 -0.000 0.251) 2.544 4.710 ( -7.300 -0.000 -3.320) 8.020 4.801 ( -2.306 -0.000 3.024) 3.803 4.851 ( 3.477 0.000 1.643) 3.845 5.077 ( -3.464 -0.000 -3.756) 5.109 5.109 ( 5.071 0.000 -1.937) 5.428 5.234 ( 5.101 0.000 6.945) 8.617 5.378 ( -6.960 -0.000 -0.336) 6.968 5.587 ( 2.885 0.000 -4.191) 5.088 5.651 ( 6.363 0.000 -3.080) 7.069 5.812 ( 6.021 0.000 1.276) 6.155 5.932 ( -4.318 -0.000 -1.787) 4.673 6.067 ( -2.265 -0.000 2.568) 3.424 6.168 ( 1.326 0.000 0.772) 1.534 6.260 ( 3.129 0.000 5.564) 6.383 7.037 ( -3.674 -0.000 1.093) 3.833 7.127 ( -3.285 -0.000 -1.790) 3.741 7.471 ( 1.770 0.000 -10.518) 10.666 7.496 ( 6.515 0.000 8.450) 10.670 18.564 ( -0.452 -0.000 0.008) 0.452 18.605 ( 0.776 0.000 -0.567) 0.961 18.644 ( -0.605 -0.000 0.414) 0.733 18.707 ( 1.279 0.000 -0.352) 1.326 18.717 ( -0.288 -0.000 1.340) 1.371 18.725 ( -0.580 -0.000 -1.334) 1.454 18.915 ( 0.301 0.000 0.594) 0.666 18.932 ( 0.883 0.000 -0.446) 0.989 19.244 ( -0.909 -0.000 0.500) 1.038 19.291 ( 0.110 0.000 -0.592) 0.602 19.456 ( -0.299 -0.000 0.830) 0.882 19.500 ( 0.670 0.000 -0.481) 0.825 41.880 ( -0.255 -0.000 0.250) 0.358 41.889 ( 0.030 0.000 0.037) 0.048 41.999 ( -0.703 -0.000 0.139) 0.717 41.999 ( -0.684 -0.000 -0.208) 0.715 42.043 ( 0.662 0.000 0.136) 0.676 42.056 ( 0.909 0.000 0.096) 0.914 65.695 ( -5.720 -0.000 3.910) 6.928 65.712 ( -2.045 -0.000 0.048) 2.045 66.046 ( 6.882 0.000 -0.204) 6.885 66.320 ( 11.963 0.000 -1.668) 12.079 67.444 ( -10.479 -0.000 25.688) 27.743 67.829 ( -9.342 -0.000 -24.555) 26.272 ======================= Grid point 180 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -1.602 0.287 3.614) 3.964 1.053 ( -2.898 -1.647 -1.704) 3.743 1.217 ( -4.687 1.401 2.199) 5.364 1.369 ( 0.937 -1.453 -0.761) 1.889 1.531 ( -12.118 -2.201 2.173) 12.507 1.875 ( 0.857 0.227 6.686) 6.744 2.005 ( -13.995 1.033 -9.638) 17.024 2.113 ( -0.488 9.361 0.401) 9.382 2.298 ( -0.004 -4.502 -1.010) 4.614 2.367 ( -5.884 -0.601 7.195) 9.314 2.588 ( 3.507 3.852 -1.142) 5.333 2.790 ( 1.761 -5.128 0.508) 5.446 3.040 ( -2.699 0.626 -1.145) 2.998 3.215 ( -0.005 10.572 2.399) 10.841 3.436 ( -1.253 2.701 -4.570) 5.454 3.510 ( 3.260 1.711 -0.502) 3.715 3.621 ( 1.561 -5.984 5.749) 8.444 3.650 ( -1.134 2.165 4.138) 4.806 3.819 ( -0.527 -8.272 -7.684) 11.303 3.924 ( -0.378 0.725 -5.480) 5.540 4.015 ( -4.927 0.678 1.641) 5.238 4.252 ( -4.194 -0.374 -6.201) 7.496 4.377 ( 1.599 -1.162 0.721) 2.104 4.438 ( -3.576 0.225 4.127) 5.466 4.637 ( 0.396 -0.972 -2.068) 2.319 4.788 ( -3.633 0.514 4.669) 5.938 4.910 ( 2.202 2.591 3.123) 4.616 5.049 ( -0.162 -3.796 1.759) 4.187 5.150 ( 5.428 0.753 -3.078) 6.285 5.316 ( -4.048 -2.310 -0.198) 4.665 5.381 ( 5.734 -1.078 6.516) 8.747 5.579 ( 3.871 3.618 -3.235) 6.208 5.714 ( 3.816 -2.038 -2.448) 4.971 5.826 ( 0.349 -0.881 -6.475) 6.544 5.925 ( -0.905 1.710 5.117) 5.471 6.048 ( -3.045 -1.688 2.304) 4.175 6.209 ( 2.375 0.458 2.187) 3.261 6.376 ( 4.822 -1.230 8.465) 9.819 6.963 ( -2.898 3.790 -0.390) 4.787 7.084 ( -3.507 -3.141 -3.243) 5.717 7.386 ( 0.524 2.600 -9.860) 10.210 7.659 ( 5.862 -1.527 6.491) 8.879 18.560 ( -0.198 -0.044 0.124) 0.237 18.607 ( 0.395 0.041 -0.935) 1.016 18.642 ( -0.218 0.091 0.629) 0.672 18.703 ( -0.733 -0.077 -1.457) 1.633 18.720 ( -0.556 0.170 0.988) 1.146 18.722 ( 1.201 0.059 -0.493) 1.299 18.924 ( 0.292 0.018 0.644) 0.708 18.941 ( 0.969 0.090 -0.505) 1.096 19.239 ( -0.437 0.016 0.791) 0.904 19.284 ( -0.193 0.131 -0.592) 0.637 19.460 ( -0.059 0.178 0.946) 0.965 19.503 ( 0.375 0.029 -0.653) 0.753 41.876 ( -0.084 0.614 0.447) 0.764 41.888 ( -0.035 0.224 -0.022) 0.228 41.970 ( -0.241 1.631 -0.176) 1.658 42.012 ( -0.782 -1.589 0.024) 1.771 42.040 ( 0.866 1.028 -0.009) 1.344 42.089 ( 0.386 -2.344 0.512) 2.431 65.665 ( -3.677 -1.203 3.092) 4.952 65.711 ( 1.244 0.026 0.760) 1.458 66.116 ( 5.948 3.108 0.760) 6.754 66.564 ( 13.645 -13.882 -2.552) 19.632 67.410 ( -13.856 6.734 3.134) 15.721 67.515 ( -11.991 -1.466 -2.435) 12.323 ======================= Grid point 181 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -4.504 0.372 0.564) 4.554 1.047 ( -5.301 -4.852 1.160) 7.279 1.190 ( -1.183 -1.243 3.737) 4.112 1.394 ( 1.109 -0.310 -2.066) 2.366 1.437 ( -9.994 -5.349 3.343) 11.818 1.750 ( -15.669 -1.699 -2.166) 15.909 1.894 ( -3.420 7.906 2.705) 9.029 1.972 ( -0.386 3.341 2.384) 4.122 2.322 ( 0.389 -0.917 1.249) 1.598 2.408 ( -0.172 -2.245 2.322) 3.234 2.615 ( 4.969 0.446 -1.460) 5.198 2.850 ( 3.826 4.474 -1.256) 6.020 2.934 ( -3.100 0.448 -4.304) 5.323 3.207 ( 2.043 -2.723 1.690) 3.801 3.303 ( -1.752 5.089 -8.556) 10.108 3.491 ( -1.831 3.179 -1.462) 3.949 3.615 ( -2.543 2.695 3.397) 5.027 3.679 ( -0.392 0.300 -0.844) 0.978 3.808 ( -3.264 -2.915 -1.717) 4.701 3.887 ( -0.350 -0.287 -5.957) 5.975 4.013 ( 0.707 -1.839 3.414) 3.942 4.201 ( -5.411 -6.232 -1.491) 8.387 4.394 ( -0.650 2.535 0.872) 2.758 4.411 ( -0.338 -0.073 0.205) 0.402 4.699 ( 4.142 -2.081 1.968) 5.036 4.770 ( -3.423 -0.128 4.520) 5.671 4.946 ( -0.051 -4.343 4.354) 6.150 5.146 ( 3.507 -1.669 3.610) 5.303 5.195 ( 1.359 -2.138 -1.570) 2.980 5.310 ( 0.222 -1.380 -1.285) 1.899 5.499 ( 3.846 -1.336 2.518) 4.787 5.547 ( 1.789 3.035 -3.743) 5.140 5.731 ( -1.148 0.147 -3.707) 3.884 5.825 ( 0.901 4.690 2.224) 5.268 5.886 ( 1.715 -0.230 0.008) 1.730 6.087 ( -1.200 -3.116 4.456) 5.568 6.243 ( 1.332 1.021 1.999) 2.610 6.541 ( 7.113 0.090 8.501) 11.085 6.893 ( -0.378 2.241 -0.454) 2.318 7.033 ( -3.784 -1.837 -5.569) 6.979 7.276 ( -1.530 2.045 -8.015) 8.412 7.783 ( 4.001 -0.088 4.606) 6.101 18.562 ( 0.087 -0.109 0.281) 0.314 18.600 ( 0.067 0.117 -1.185) 1.193 18.646 ( 0.079 0.184 0.855) 0.879 18.683 ( -0.717 -0.184 -1.342) 1.532 18.713 ( -0.885 0.402 0.735) 1.219 18.733 ( 1.079 0.060 -0.550) 1.213 18.931 ( 0.064 0.134 0.517) 0.538 18.946 ( 0.502 0.161 -0.476) 0.710 19.244 ( 0.118 0.026 0.927) 0.935 19.275 ( -0.166 0.070 -0.572) 0.600 19.463 ( -0.086 0.347 1.033) 1.093 19.499 ( 0.042 0.041 -0.791) 0.793 41.871 ( -0.007 0.606 0.578) 0.838 41.883 ( -0.025 0.356 -0.060) 0.361 41.949 ( 0.152 1.241 -0.502) 1.348 42.017 ( -0.434 -0.785 -0.194) 0.918 42.042 ( 0.433 0.273 0.129) 0.528 42.127 ( 0.032 -2.413 0.941) 2.590 65.666 ( -1.703 -1.447 1.867) 2.912 65.756 ( 4.879 0.948 1.213) 5.116 66.176 ( 4.038 -0.124 3.474) 5.328 66.917 ( 7.873 -12.488 -1.131) 14.806 67.029 ( -13.046 7.314 -17.005) 22.647 67.498 ( -3.757 -6.523 12.436) 14.537 ======================= Grid point 188 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -7.442 -0.000 -0.707) 7.475 0.969 ( -4.163 -0.000 6.515) 7.731 1.193 ( -2.697 -0.000 2.377) 3.595 1.329 ( -9.530 -0.000 5.783) 11.148 1.400 ( -0.954 -0.000 -3.851) 3.967 1.722 ( -19.159 -0.000 -2.154) 19.279 1.936 ( 1.099 0.000 4.563) 4.694 2.199 ( -6.875 -0.000 8.557) 10.977 2.265 ( 3.194 0.000 -3.511) 4.747 2.339 ( -3.494 -0.000 6.717) 7.572 2.677 ( 4.401 0.000 -2.155) 4.900 2.748 ( 3.466 0.000 -2.065) 4.034 2.969 ( -3.558 -0.000 -7.423) 8.231 3.237 ( -5.023 -0.000 -1.869) 5.360 3.455 ( 1.083 0.000 -8.131) 8.203 3.470 ( -3.079 -0.000 -3.995) 5.044 3.645 ( -0.847 -0.000 6.249) 6.306 3.679 ( -3.532 -0.000 9.048) 9.713 3.730 ( -0.273 -0.000 -4.591) 4.599 3.877 ( 3.466 0.000 -4.859) 5.968 4.015 ( 2.757 0.000 1.018) 2.939 4.079 ( -9.356 -0.000 -6.810) 11.572 4.411 ( 1.016 0.000 1.922) 2.174 4.425 ( -2.760 -0.000 2.956) 4.044 4.666 ( 4.809 0.000 0.138) 4.811 4.767 ( -5.649 -0.000 5.421) 7.830 4.978 ( -1.410 -0.000 1.516) 2.071 5.042 ( 2.286 0.000 6.365) 6.763 5.187 ( 3.786 0.000 -3.279) 5.009 5.286 ( 1.404 0.000 -1.013) 1.731 5.496 ( 3.671 0.000 3.873) 5.336 5.584 ( 0.320 0.000 -8.297) 8.303 5.719 ( 3.201 0.000 -2.985) 4.377 5.837 ( 6.704 0.000 1.433) 6.856 5.981 ( -5.828 -0.000 1.884) 6.125 6.009 ( 1.696 0.000 4.553) 4.859 6.261 ( 1.837 0.000 2.410) 3.030 6.525 ( 6.182 0.000 12.917) 14.320 6.949 ( -2.661 -0.000 -1.026) 2.852 6.983 ( -2.098 -0.000 -5.382) 5.777 7.303 ( -2.211 -0.000 -10.989) 11.210 7.789 ( 5.571 0.000 6.314) 8.421 18.560 ( 0.056 0.000 0.266) 0.271 18.602 ( 0.100 0.000 -1.199) 1.203 18.648 ( 0.062 0.000 0.925) 0.927 18.681 ( -0.733 -0.000 -1.387) 1.569 18.719 ( -0.656 -0.000 0.689) 0.951 18.733 ( 1.070 0.000 -0.604) 1.228 18.932 ( 0.123 0.000 0.617) 0.629 18.949 ( 0.774 0.000 -0.821) 1.128 19.244 ( 0.097 0.000 0.980) 0.985 19.277 ( -0.198 -0.000 -0.696) 0.724 19.470 ( 0.090 0.000 1.086) 1.090 19.500 ( 0.043 0.000 -0.787) 0.788 41.884 ( 0.001 0.000 0.574) 0.574 41.887 ( -0.035 -0.000 -0.172) 0.175 41.980 ( -0.398 -0.000 -0.293) 0.494 41.991 ( -0.255 -0.000 0.449) 0.517 42.061 ( 0.439 0.000 0.200) 0.483 42.074 ( 0.300 0.000 -0.029) 0.301 65.646 ( -0.946 -0.000 1.832) 2.062 65.767 ( 5.396 0.000 1.644) 5.641 66.237 ( 5.138 0.000 1.083) 5.251 66.587 ( 9.223 0.000 -3.614) 9.906 67.144 ( -12.625 -0.000 -20.155) 23.783 67.434 ( -16.209 -0.000 21.582) 26.991 ======================= Grid point 189 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( -8.745 -0.347 4.210) 9.712 0.941 ( -8.816 -0.666 6.892) 11.211 1.194 ( -0.023 -0.674 2.047) 2.155 1.267 ( -7.440 -4.067 1.748) 8.657 1.389 ( 0.009 -0.795 -1.865) 2.028 1.495 ( -18.460 -3.628 10.158) 21.380 1.960 ( -2.314 3.586 3.736) 5.672 2.044 ( -5.651 10.375 5.857) 13.186 2.313 ( 0.699 -2.115 -1.623) 2.756 2.387 ( -1.327 -4.833 3.218) 5.956 2.685 ( 5.093 2.281 -3.502) 6.588 2.830 ( -2.431 -1.460 -8.169) 8.647 2.859 ( 4.311 -4.297 -6.296) 8.758 3.158 ( -3.617 -1.346 -3.213) 5.022 3.330 ( -0.451 5.668 -3.886) 6.887 3.430 ( -2.630 -0.864 -2.781) 3.924 3.580 ( -6.986 2.248 -0.148) 7.341 3.716 ( -2.117 -4.869 2.695) 5.954 3.729 ( 1.404 0.082 2.096) 2.524 3.832 ( -4.158 1.692 -8.886) 9.956 4.027 ( 1.697 -2.556 6.016) 6.753 4.108 ( 3.848 -1.905 0.773) 4.363 4.409 ( -0.784 0.518 2.311) 2.495 4.422 ( -0.551 0.226 0.500) 0.777 4.726 ( -6.507 -1.411 3.985) 7.760 4.753 ( 5.222 -1.258 0.999) 5.463 4.967 ( -0.021 1.725 3.690) 4.074 5.116 ( -2.946 -4.158 2.436) 5.648 5.244 ( 3.791 -2.336 0.887) 4.540 5.300 ( 3.906 1.980 -3.659) 5.706 5.482 ( -0.066 -0.530 -7.697) 7.715 5.581 ( 3.102 0.338 -0.168) 3.125 5.732 ( 1.488 1.571 -2.186) 3.076 5.868 ( -4.916 4.350 1.038) 6.646 5.983 ( 7.214 -0.095 5.331) 8.971 6.067 ( -0.547 -2.560 1.070) 2.828 6.292 ( 1.153 1.427 2.251) 2.904 6.742 ( 9.286 1.109 10.507) 14.066 6.905 ( -0.074 -0.103 -0.254) 0.284 6.930 ( -0.941 -0.661 -4.729) 4.867 7.171 ( -4.705 -0.167 -8.942) 10.106 7.887 ( 3.380 1.534 4.335) 5.707 18.566 ( 0.240 -0.092 0.394) 0.470 18.592 ( 0.010 0.063 -1.200) 1.202 18.657 ( 0.115 0.141 1.058) 1.073 18.663 ( -0.482 -0.147 -0.948) 1.073 18.711 ( -0.791 0.458 0.474) 1.030 18.742 ( 0.892 0.011 -0.625) 1.090 18.936 ( -0.129 0.161 0.489) 0.530 18.947 ( 0.050 0.139 -0.814) 0.827 19.256 ( 0.401 0.030 0.908) 0.993 19.270 ( 0.080 0.019 -0.658) 0.663 19.476 ( -0.082 0.470 1.046) 1.150 19.492 ( -0.150 0.030 -0.818) 0.832 41.881 ( 0.010 0.554 0.032) 0.555 41.887 ( -0.060 0.196 0.322) 0.381 41.964 ( 0.051 1.273 -0.320) 1.313 41.999 ( -0.357 -0.899 0.174) 0.983 42.057 ( 0.373 0.827 -0.010) 0.908 42.099 ( -0.109 -2.644 0.268) 2.660 65.662 ( 1.262 -0.403 0.537) 1.430 65.881 ( 9.495 1.006 2.141) 9.785 66.260 ( 1.427 2.631 3.374) 4.511 66.722 ( -7.049 -7.954 -13.139) 16.900 66.869 ( -1.090 -2.792 -6.665) 7.307 67.424 ( -7.585 -9.311 12.384) 17.251 ======================= Grid point 197 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( -9.792 -0.000 8.838) 13.191 0.889 ( -9.388 -0.000 10.103) 13.792 1.192 ( -2.953 -0.000 3.733) 4.760 1.199 ( 0.417 0.000 -0.652) 0.774 1.270 ( -12.496 -0.000 8.370) 15.040 1.443 ( -3.850 -0.000 13.067) 13.622 1.968 ( -3.021 -0.000 1.868) 3.552 2.096 ( -12.940 -0.000 13.755) 18.884 2.278 ( 2.907 0.000 -4.130) 5.050 2.315 ( -2.385 -0.000 -3.086) 3.900 2.678 ( 0.177 0.000 -11.741) 11.743 2.795 ( 7.397 0.000 -7.964) 10.870 2.836 ( 2.510 0.000 0.525) 2.564 3.079 ( -2.560 -0.000 -2.693) 3.716 3.341 ( 0.865 0.000 -2.325) 2.481 3.378 ( -0.891 -0.000 -2.532) 2.684 3.499 ( -8.123 -0.000 -0.685) 8.151 3.591 ( -7.726 -0.000 -0.742) 7.761 3.733 ( -1.331 -0.000 -1.266) 1.837 3.742 ( -1.020 -0.000 -2.366) 2.577 4.149 ( 5.560 0.000 4.464) 7.131 4.192 ( 5.314 0.000 2.806) 6.009 4.405 ( -1.119 -0.000 -0.761) 1.353 4.450 ( 4.813 0.000 4.748) 6.760 4.640 ( -7.163 -0.000 2.687) 7.650 4.827 ( 4.954 0.000 0.733) 5.008 5.001 ( -7.792 -0.000 -1.984) 8.041 5.023 ( 0.882 0.000 3.333) 3.448 5.275 ( 3.189 0.000 0.190) 3.195 5.389 ( 6.909 0.000 -0.137) 6.910 5.424 ( 1.255 0.000 -7.462) 7.567 5.627 ( 2.575 0.000 1.356) 2.910 5.735 ( -1.766 -0.000 -2.950) 3.438 5.838 ( -3.141 -0.000 1.662) 3.554 5.984 ( -4.935 -0.000 -3.453) 6.023 6.106 ( 3.679 0.000 1.236) 3.881 6.339 ( 0.957 0.000 2.851) 3.008 6.797 ( -1.243 -0.000 -9.550) 9.630 6.870 ( -1.002 -0.000 -1.880) 2.131 7.024 ( -5.943 -0.000 -6.507) 8.813 7.124 ( 15.884 0.000 15.812) 22.413 7.957 ( 0.782 0.000 2.510) 2.629 18.571 ( 0.168 0.000 0.419) 0.452 18.585 ( 0.206 0.000 -0.915) 0.938 18.650 ( -0.065 -0.000 -0.729) 0.732 18.669 ( -0.204 -0.000 1.279) 1.295 18.711 ( -0.160 -0.000 0.393) 0.424 18.748 ( 0.740 0.000 -0.594) 0.949 18.938 ( -0.340 -0.000 0.498) 0.603 18.939 ( -0.311 -0.000 -0.574) 0.653 19.267 ( 0.238 0.000 0.661) 0.702 19.268 ( 0.419 0.000 -0.627) 0.754 19.485 ( -0.043 -0.000 -0.713) 0.715 19.485 ( -0.280 -0.000 0.653) 0.710 41.885 ( 0.141 0.000 -0.286) 0.319 41.890 ( -0.248 -0.000 0.349) 0.428 41.970 ( 0.010 0.000 -0.272) 0.272 41.991 ( -0.306 -0.000 0.292) 0.423 42.071 ( 0.066 0.000 0.135) 0.150 42.073 ( -0.077 -0.000 -0.211) 0.224 65.694 ( 3.364 0.000 -0.272) 3.375 66.071 ( 13.948 0.000 2.711) 14.209 66.298 ( -3.202 -0.000 4.096) 5.199 66.432 ( -11.338 -0.000 -12.058) 16.551 66.819 ( 4.984 0.000 -6.513) 8.201 67.274 ( -15.344 -0.000 9.574) 18.085 ======================= Grid point 198 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -2.093 -0.000 -3.337) 3.939 0.987 ( 2.093 0.000 3.337) 3.939 1.126 ( 2.251 0.000 -4.824) 5.323 1.126 ( -2.251 -0.000 4.824) 5.323 1.637 ( -3.782 -0.000 -13.260) 13.789 1.637 ( 3.782 0.000 13.260) 13.789 2.033 ( -8.913 -0.000 0.592) 8.933 2.033 ( 8.913 0.000 -0.592) 8.933 2.261 ( 11.707 0.000 -11.394) 16.337 2.261 ( -11.707 -0.000 11.394) 16.337 2.640 ( 0.604 0.000 -19.412) 19.422 2.640 ( -0.604 -0.000 19.412) 19.422 2.940 ( 8.261 0.000 -3.727) 9.063 2.940 ( -8.261 -0.000 3.727) 9.063 3.260 ( 6.457 0.000 -4.746) 8.013 3.260 ( -6.457 -0.000 4.746) 8.013 3.397 ( 0.216 0.000 -2.995) 3.003 3.397 ( -0.216 -0.000 2.995) 3.003 3.674 ( 0.160 0.000 -2.822) 2.826 3.674 ( -0.160 -0.000 2.822) 2.826 4.278 ( -3.685 -0.000 -1.413) 3.946 4.278 ( 3.685 0.000 1.413) 3.946 4.544 ( 0.307 0.000 -10.323) 10.328 4.544 ( -0.307 -0.000 10.323) 10.328 4.644 ( -4.229 -0.000 -1.095) 4.368 4.644 ( 4.229 0.000 1.095) 4.368 5.114 ( -7.358 -0.000 -0.402) 7.369 5.114 ( 7.358 0.000 0.402) 7.369 5.347 ( -2.104 -0.000 -0.680) 2.211 5.347 ( 2.104 0.000 0.680) 2.211 5.425 ( -4.303 -0.000 -4.147) 5.976 5.425 ( 4.303 0.000 4.147) 5.976 5.832 ( -1.267 -0.000 -0.351) 1.315 5.832 ( 1.267 0.000 0.351) 1.315 5.908 ( -9.956 -0.000 -5.600) 11.423 5.908 ( 9.956 0.000 5.600) 11.423 6.474 ( -1.466 -0.000 -3.268) 3.582 6.474 ( 1.466 0.000 3.268) 3.582 6.826 ( 2.787 0.000 -1.117) 3.002 6.826 ( -2.787 -0.000 1.117) 3.002 7.821 ( -8.225 -0.000 -4.321) 9.291 7.821 ( 8.225 0.000 4.321) 9.291 18.579 ( 0.692 0.000 -0.475) 0.839 18.579 ( -0.692 -0.000 0.475) 0.839 18.659 ( -1.235 -0.000 0.102) 1.239 18.659 ( 1.235 0.000 -0.102) 1.239 18.742 ( 0.377 0.000 -0.771) 0.859 18.742 ( -0.377 -0.000 0.771) 0.859 18.941 ( 0.965 0.000 -0.608) 1.141 18.941 ( -0.965 -0.000 0.608) 1.141 19.269 ( 0.848 0.000 -0.291) 0.897 19.269 ( -0.848 -0.000 0.291) 0.897 19.478 ( 1.007 0.000 -0.466) 1.110 19.478 ( -1.007 -0.000 0.466) 1.110 41.884 ( -0.467 -0.000 0.150) 0.491 41.884 ( 0.467 0.000 -0.150) 0.491 41.976 ( -0.702 -0.000 -0.059) 0.704 41.976 ( 0.702 0.000 0.059) 0.704 42.071 ( -0.241 -0.000 0.058) 0.248 42.071 ( 0.241 0.000 -0.058) 0.248 65.862 ( -6.089 -0.000 -3.966) 7.266 65.862 ( 6.089 0.000 3.966) 7.266 66.486 ( 6.150 0.000 -6.408) 8.882 66.486 ( -6.150 -0.000 6.408) 8.882 66.827 ( -18.304 -0.000 1.834) 18.395 66.827 ( 18.304 0.000 -1.834) 18.395 ======================= Grid point 200 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -0.891 -0.379 -5.701) 5.783 1.028 ( 3.854 0.891 -1.073) 4.098 1.146 ( 1.685 -1.917 -0.873) 2.697 1.180 ( 0.112 -3.785 5.834) 6.955 1.509 ( -0.882 -3.329 -13.553) 13.984 1.787 ( 2.005 -1.182 11.242) 11.481 1.942 ( -2.866 0.187 -1.982) 3.489 2.138 ( 13.171 5.935 -5.835) 15.581 2.145 ( -7.327 5.674 2.678) 9.646 2.280 ( 4.902 3.467 -3.325) 6.864 2.574 ( 2.859 -5.900 -11.892) 13.579 2.759 ( -3.130 3.663 6.881) 8.400 2.857 ( -5.652 -4.488 8.244) 10.957 2.979 ( 1.879 -0.564 -3.291) 3.832 3.226 ( -2.923 0.713 4.979) 5.817 3.313 ( 4.802 1.267 0.081) 4.967 3.441 ( -0.171 -6.355 -1.699) 6.580 3.496 ( 0.970 -8.887 3.444) 9.580 3.688 ( 3.551 -0.371 -1.748) 3.976 3.765 ( 4.143 -8.353 1.603) 9.461 4.202 ( -2.577 3.550 -2.165) 4.892 4.354 ( 3.366 -1.793 2.671) 4.656 4.424 ( -3.446 3.587 -9.067) 10.342 4.570 ( -1.157 4.022 4.784) 6.356 4.655 ( 1.801 -3.109 1.903) 4.066 4.723 ( 4.258 -1.310 -0.514) 4.484 4.948 ( -9.465 0.727 -0.042) 9.492 5.128 ( -0.404 0.270 -2.091) 2.147 5.281 ( -4.645 1.670 1.098) 5.056 5.327 ( -2.443 0.066 1.250) 2.745 5.456 ( 9.728 5.688 0.523) 11.281 5.629 ( 6.953 -3.991 2.091) 8.285 5.726 ( -8.843 -4.480 -1.829) 10.080 5.791 ( -2.749 -0.021 -0.787) 2.860 5.863 ( 1.485 0.434 -1.266) 1.999 6.097 ( 6.826 -3.835 3.667) 8.646 6.398 ( -2.563 4.423 -1.052) 5.219 6.489 ( 0.511 4.706 6.223) 7.819 6.822 ( -1.406 -1.517 1.908) 2.814 6.886 ( 4.212 -2.560 -0.280) 4.937 7.615 ( -11.519 3.811 -6.996) 14.006 7.914 ( 4.741 3.333 2.401) 6.273 18.573 ( -0.598 -0.001 0.419) 0.730 18.584 ( 0.553 -0.048 -0.551) 0.782 18.646 ( -0.921 -0.085 0.150) 0.937 18.677 ( 1.330 -0.037 -0.222) 1.349 18.734 ( -0.244 0.381 -1.004) 1.101 18.739 ( -0.719 0.083 0.750) 1.042 18.932 ( -0.580 0.195 0.367) 0.714 18.946 ( 0.739 0.388 -0.669) 1.070 19.260 ( -0.857 -0.018 0.483) 0.984 19.277 ( 0.544 0.030 -0.240) 0.596 19.469 ( -0.686 0.098 0.601) 0.917 19.487 ( 0.975 0.239 -0.475) 1.111 41.880 ( -0.401 0.034 0.206) 0.452 41.890 ( 0.437 -0.017 -0.113) 0.451 41.962 ( -0.517 0.822 -0.008) 0.972 41.984 ( 0.779 0.485 0.158) 0.931 42.069 ( -0.299 -0.314 -0.230) 0.491 42.083 ( 0.391 -1.448 0.348) 1.539 65.761 ( -4.970 0.098 -1.839) 5.300 65.986 ( 5.280 0.559 7.374) 9.087 66.323 ( -13.243 3.964 -0.549) 13.835 66.563 ( 3.572 -10.992 -8.450) 14.317 66.729 ( -6.338 -5.394 4.296) 9.366 67.149 ( 19.167 -5.776 2.877) 20.224 ======================= Grid point 201 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( -0.379 -1.456 -3.530) 3.837 1.085 ( 6.332 -1.796 -2.880) 7.184 1.189 ( 1.018 -2.405 -0.771) 2.723 1.270 ( 1.534 -2.295 2.713) 3.871 1.500 ( 4.080 -7.013 -11.411) 14.002 1.864 ( -0.688 1.426 2.419) 2.891 1.910 ( 0.796 7.300 -1.709) 7.540 1.952 ( 2.813 2.469 -10.976) 11.597 2.241 ( 6.443 -0.151 4.661) 7.953 2.315 ( 2.153 -0.513 4.921) 5.396 2.616 ( 2.332 -2.015 -3.428) 4.610 2.645 ( -4.391 3.412 0.908) 5.635 2.936 ( -5.484 -4.997 1.878) 7.654 2.994 ( 2.040 -0.182 3.832) 4.345 3.251 ( -0.786 -3.543 2.877) 4.631 3.367 ( 4.010 1.383 3.118) 5.264 3.476 ( -2.460 -4.668 -0.911) 5.355 3.638 ( 0.211 -7.458 2.356) 7.824 3.748 ( 4.599 0.480 2.229) 5.133 3.924 ( -0.918 -6.362 -3.728) 7.431 4.130 ( 2.702 1.502 -2.459) 3.950 4.246 ( -2.870 4.116 -6.888) 8.522 4.435 ( 0.635 -2.487 0.462) 2.608 4.513 ( -3.346 2.289 -0.640) 4.104 4.704 ( 2.364 1.250 -0.866) 2.811 4.760 ( 0.845 -1.356 2.946) 3.351 4.978 ( 5.809 -3.902 4.002) 8.061 5.117 ( -0.879 -1.717 -1.952) 2.745 5.199 ( -3.301 1.558 1.504) 3.948 5.318 ( -1.948 0.175 3.427) 3.946 5.514 ( 8.576 6.500 0.473) 10.771 5.546 ( -8.952 -4.507 -7.323) 12.413 5.743 ( -3.838 -2.198 -0.718) 4.481 5.831 ( 1.867 1.213 1.628) 2.758 5.889 ( 4.347 1.798 4.763) 6.694 6.207 ( 0.958 -3.946 -2.561) 4.800 6.298 ( -1.773 5.104 0.727) 5.452 6.505 ( 1.018 5.190 10.525) 11.779 6.842 ( -0.279 -0.933 1.904) 2.138 6.991 ( 4.252 -4.197 1.268) 6.108 7.327 ( -12.053 4.228 -9.580) 15.967 7.918 ( 1.772 4.923 0.562) 5.263 18.570 ( -0.327 0.021 0.457) 0.562 18.586 ( 0.196 -0.123 -0.692) 0.730 18.640 ( -0.388 -0.185 0.430) 0.608 18.691 ( 0.997 -0.065 -0.639) 1.186 18.713 ( -0.271 0.627 -1.108) 1.302 18.733 ( -0.860 0.011 0.779) 1.160 18.930 ( -0.007 0.086 0.360) 0.371 18.944 ( 0.469 0.462 -0.460) 0.803 19.254 ( -0.624 -0.041 0.673) 0.919 19.278 ( 0.085 0.085 -0.388) 0.406 19.467 ( -0.264 0.082 0.774) 0.822 19.490 ( 0.675 0.359 -0.695) 1.033 41.875 ( -0.251 0.244 0.189) 0.398 41.892 ( 0.273 0.313 -0.267) 0.493 41.943 ( -0.395 1.198 0.043) 1.262 41.990 ( 0.718 0.306 0.382) 0.869 42.066 ( -0.412 -0.319 -0.503) 0.724 42.121 ( 0.596 -2.432 0.810) 2.631 65.697 ( -2.812 -0.165 -0.614) 2.883 66.014 ( -10.483 2.958 4.563) 11.809 66.195 ( 4.667 2.604 4.544) 7.015 66.626 ( -3.811 -12.142 -12.146) 17.592 66.834 ( 4.046 -6.621 4.484) 8.962 67.477 ( 10.058 -6.922 6.366) 13.770 ======================= Grid point 202 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.249 -1.033 -0.820) 1.342 1.186 ( 5.383 -3.498 -2.007) 6.726 1.217 ( -0.089 -3.252 -1.887) 3.761 1.326 ( 2.213 -0.804 0.419) 2.391 1.555 ( 2.254 -3.936 -9.171) 10.232 1.697 ( 2.601 12.426 -3.980) 13.305 1.876 ( 1.394 -1.802 -4.029) 4.629 2.004 ( 0.972 -1.947 2.753) 3.509 2.307 ( 0.831 -1.208 -0.736) 1.641 2.424 ( 1.959 -0.330 2.847) 3.472 2.587 ( -0.624 -0.781 5.975) 6.058 2.667 ( 3.426 1.561 1.231) 3.961 2.891 ( -6.549 -2.578 -0.316) 7.046 3.061 ( 1.657 -0.326 5.398) 5.657 3.279 ( -1.132 -1.788 -4.341) 4.829 3.437 ( 2.662 -0.470 1.578) 3.130 3.510 ( 0.139 -3.464 3.119) 4.663 3.723 ( -1.713 -4.480 4.606) 6.650 3.755 ( -2.813 2.195 -3.119) 4.739 3.911 ( 2.304 -1.592 -2.852) 3.997 4.077 ( -0.135 2.775 -0.105) 2.780 4.236 ( 1.244 -2.356 -5.329) 5.958 4.420 ( -1.743 4.081 -3.148) 5.441 4.435 ( -1.739 -0.068 -0.390) 1.783 4.748 ( 2.512 0.008 3.785) 4.542 4.810 ( 2.285 -0.396 -0.148) 2.324 5.114 ( -2.120 -4.750 0.470) 5.223 5.155 ( 4.662 -4.187 4.682) 7.822 5.209 ( 5.263 1.174 -1.015) 5.487 5.298 ( -4.306 0.210 0.974) 4.420 5.457 ( -4.311 -3.938 -2.778) 6.466 5.537 ( 4.712 4.653 -1.050) 6.705 5.725 ( -1.699 -2.215 -0.759) 2.893 5.817 ( 0.498 3.105 -0.694) 3.220 5.897 ( -1.916 4.322 3.595) 5.940 6.207 ( 0.342 0.400 -1.282) 1.385 6.276 ( 1.041 -1.333 -1.122) 2.030 6.520 ( -1.908 5.346 9.597) 11.150 6.871 ( 1.852 -0.073 1.803) 2.586 7.072 ( -8.547 1.196 -8.487) 12.104 7.112 ( 3.167 -4.030 1.865) 5.454 7.868 ( -0.078 4.160 -0.583) 4.201 18.571 ( -0.052 0.080 0.596) 0.604 18.582 ( -0.098 -0.165 -0.782) 0.806 18.646 ( 0.102 -0.252 0.789) 0.835 18.682 ( -0.443 0.263 -1.418) 1.509 18.711 ( 1.139 0.230 -0.453) 1.248 18.727 ( -0.960 -0.069 0.743) 1.216 18.932 ( 0.068 0.081 0.238) 0.261 18.942 ( 0.283 0.231 -0.162) 0.400 19.255 ( -0.240 -0.057 0.761) 0.800 19.272 ( -0.189 0.103 -0.598) 0.635 19.471 ( -0.032 0.019 0.903) 0.904 19.487 ( 0.339 0.247 -0.882) 0.977 41.871 ( -0.031 0.193 0.244) 0.313 41.886 ( 0.093 0.518 -0.424) 0.676 41.927 ( -0.241 0.693 0.094) 0.740 42.002 ( 0.543 -0.156 0.510) 0.761 42.058 ( -0.400 -0.053 -0.561) 0.691 42.161 ( 0.360 -1.663 0.638) 1.817 65.682 ( 0.236 -0.871 -0.033) 0.903 65.847 ( -8.846 2.861 0.772) 9.329 66.311 ( 6.669 3.301 8.481) 11.283 66.597 ( -5.369 -8.827 -10.314) 14.598 66.993 ( 4.608 -3.936 1.517) 6.247 67.672 ( 2.231 -4.029 4.784) 6.641 ======================= Grid point 203 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.000 0.000 0.000) 0.000 1.227 ( -0.000 0.000 0.000) 0.000 1.260 ( -0.000 0.000 0.000) 0.000 1.349 ( -0.000 0.000 0.000) 0.000 1.494 ( -0.000 0.000 -0.000) 0.000 1.670 ( -0.000 -0.000 0.000) 0.000 1.883 ( -0.000 0.000 0.000) 0.000 2.035 ( -0.000 0.000 0.000) 0.000 2.312 ( -0.000 0.000 0.000) 0.000 2.428 ( -0.000 0.000 0.000) 0.000 2.643 ( -0.000 0.000 0.000) 0.000 2.690 ( -0.000 0.000 -0.000) 0.000 2.853 ( -0.000 0.000 0.000) 0.000 3.125 ( 0.000 -0.000 0.000) 0.000 3.225 ( -0.000 0.000 -0.000) 0.000 3.460 ( -0.000 0.000 0.000) 0.000 3.596 ( -0.000 -0.000 -0.000) 0.000 3.635 ( 0.000 -0.000 0.000) 0.000 3.790 ( -0.000 0.000 -0.000) 0.000 3.926 ( -0.000 -0.000 0.000) 0.000 4.098 ( -0.000 0.000 0.000) 0.000 4.206 ( -0.000 0.000 0.000) 0.000 4.349 ( -0.000 0.000 0.000) 0.000 4.423 ( -0.000 0.000 0.000) 0.000 4.787 ( -0.000 0.000 0.000) 0.000 4.825 ( -0.000 0.000 0.000) 0.000 5.184 ( 0.000 -0.000 0.000) 0.000 5.186 ( -0.000 0.000 -0.000) 0.000 5.243 ( -0.000 0.000 0.000) 0.000 5.268 ( -0.000 0.000 -0.000) 0.000 5.468 ( -0.000 0.000 0.000) 0.000 5.522 ( -0.000 0.000 0.000) 0.000 5.728 ( -0.000 0.000 -0.000) 0.000 5.777 ( -0.000 0.000 0.000) 0.000 5.870 ( -0.000 0.000 0.000) 0.000 6.203 ( -0.000 -0.000 0.000) 0.000 6.296 ( -0.000 -0.000 0.000) 0.000 6.499 ( -0.000 0.000 0.000) 0.000 6.930 ( -0.000 -0.000 -0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 7.173 ( -0.000 0.000 0.000) 0.000 7.833 ( -0.000 -0.000 0.000) 0.000 18.575 ( -0.000 0.000 0.000) 0.000 18.577 ( -0.000 -0.000 -0.000) 0.000 18.657 ( -0.000 0.000 0.000) 0.000 18.666 ( -0.000 -0.000 0.000) 0.000 18.720 ( 1.080 0.128 -0.627) 1.256 18.720 ( -1.080 -0.128 0.627) 1.256 18.933 ( -0.000 0.000 -0.000) 0.000 18.942 ( -0.000 0.000 0.000) 0.000 19.259 ( -0.000 0.000 -0.000) 0.000 19.265 ( -0.000 -0.000 0.000) 0.000 19.477 ( -0.000 0.000 0.000) 0.000 19.482 ( -0.000 0.000 0.000) 0.000 41.872 ( -0.000 -0.000 0.000) 0.000 41.880 ( -0.000 0.000 -0.000) 0.000 41.921 ( -0.000 0.000 0.000) 0.000 42.011 ( -0.000 0.000 0.000) 0.000 42.051 ( -0.000 -0.000 0.000) 0.000 42.177 ( -0.000 0.000 0.000) 0.000 65.722 ( -0.000 0.000 0.000) 0.000 65.737 ( 0.000 -0.000 0.000) 0.000 66.384 ( -0.000 0.000 0.000) 0.000 66.561 ( -0.000 0.000 0.000) 0.000 67.058 ( 0.000 0.000 -0.000) 0.000 67.727 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 209 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -0.689 -0.000 -3.380) 3.450 1.078 ( 6.552 0.000 -6.769) 9.421 1.167 ( 1.526 0.000 1.825) 2.378 1.213 ( 1.334 0.000 6.511) 6.647 1.407 ( 5.943 0.000 -14.688) 15.845 1.870 ( 1.755 0.000 -12.497) 12.620 1.886 ( 1.497 0.000 8.990) 9.114 2.148 ( -5.980 -0.000 10.555) 12.132 2.255 ( 2.397 0.000 0.315) 2.418 2.427 ( 16.606 0.000 -14.028) 21.738 2.473 ( 2.516 0.000 -3.280) 4.133 2.710 ( -8.473 -0.000 1.984) 8.703 2.856 ( -1.976 -0.000 1.797) 2.671 2.977 ( 0.140 0.000 5.840) 5.841 3.257 ( -0.562 -0.000 4.580) 4.614 3.356 ( 0.740 0.000 -0.258) 0.784 3.436 ( 4.108 0.000 2.004) 4.571 3.518 ( 5.308 0.000 4.506) 6.963 3.746 ( 1.768 0.000 -0.738) 1.916 3.757 ( 7.173 0.000 -1.632) 7.356 4.197 ( -2.152 -0.000 -0.355) 2.181 4.309 ( -5.093 -0.000 -7.889) 9.390 4.388 ( 1.406 0.000 0.828) 1.631 4.552 ( -7.059 -0.000 -3.082) 7.702 4.683 ( 7.279 0.000 -1.448) 7.421 4.760 ( -2.540 -0.000 5.424) 5.989 4.929 ( 5.229 0.000 4.066) 6.623 5.096 ( -0.967 -0.000 -3.163) 3.308 5.220 ( -5.758 -0.000 3.728) 6.860 5.318 ( -1.648 -0.000 2.002) 2.593 5.471 ( -8.912 -0.000 -6.098) 10.799 5.669 ( -1.827 -0.000 -1.625) 2.445 5.681 ( 5.170 0.000 2.022) 5.552 5.843 ( 7.120 0.000 7.283) 10.186 5.884 ( 4.042 0.000 -2.509) 4.757 6.139 ( 0.551 0.000 -0.601) 0.815 6.378 ( -3.020 -0.000 -0.599) 3.079 6.578 ( -0.906 -0.000 10.272) 10.312 6.829 ( 1.243 0.000 1.687) 2.096 6.936 ( 4.319 0.000 1.888) 4.714 7.395 ( -13.812 -0.000 -9.910) 17.000 7.985 ( 1.199 0.000 0.098) 1.203 18.570 ( -0.331 -0.000 0.501) 0.600 18.584 ( 0.195 0.000 -0.752) 0.777 18.638 ( -0.389 -0.000 0.410) 0.566 18.690 ( 1.008 0.000 -0.612) 1.179 18.723 ( -0.448 -0.000 -0.834) 0.947 18.734 ( -0.927 -0.000 0.764) 1.201 18.931 ( -0.121 -0.000 0.341) 0.361 18.951 ( 0.403 0.000 -0.698) 0.806 19.254 ( -0.604 -0.000 0.666) 0.899 19.279 ( 0.164 0.000 -0.445) 0.475 19.469 ( -0.289 -0.000 0.761) 0.814 19.496 ( 0.595 0.000 -0.466) 0.756 41.878 ( -0.198 -0.000 0.320) 0.376 41.894 ( 0.302 0.000 -0.095) 0.316 41.965 ( -0.081 -0.000 0.160) 0.179 41.996 ( 0.590 0.000 -0.121) 0.602 42.068 ( -0.091 -0.000 0.269) 0.284 42.074 ( -0.006 -0.000 -0.106) 0.106 65.695 ( -3.304 -0.000 -0.524) 3.345 66.056 ( -9.398 -0.000 5.783) 11.035 66.245 ( 2.644 0.000 3.154) 4.115 66.427 ( 0.572 0.000 -7.288) 7.310 66.669 ( -5.618 -0.000 7.212) 9.142 67.417 ( 22.456 0.000 -3.944) 22.800 ======================= Grid point 210 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 0.975 -0.653 -0.014) 1.173 1.111 ( 5.560 -0.759 -7.251) 9.168 1.203 ( 2.316 -0.106 0.528) 2.378 1.288 ( 1.700 -1.678 2.859) 3.725 1.436 ( 8.582 -3.432 -10.645) 14.098 1.822 ( 4.887 -1.605 -11.922) 12.985 1.963 ( 0.944 -0.403 4.889) 4.995 2.087 ( 1.191 12.496 0.710) 12.573 2.281 ( 0.580 -1.237 0.181) 1.378 2.473 ( 9.584 4.608 1.391) 10.725 2.578 ( -1.965 -2.175 3.149) 4.302 2.639 ( 0.304 -1.461 -1.125) 1.869 2.826 ( -4.355 -3.703 0.604) 5.748 3.068 ( 3.574 -0.928 5.503) 6.627 3.260 ( 0.871 3.337 2.997) 4.570 3.386 ( -1.840 -3.214 0.713) 3.771 3.498 ( 4.981 3.139 5.248) 7.887 3.645 ( 2.099 -2.345 5.432) 6.278 3.771 ( -1.308 -2.267 -1.587) 3.060 3.854 ( 6.122 -2.618 -4.332) 7.943 4.135 ( -2.112 1.407 -3.885) 4.640 4.176 ( -2.388 -1.069 -5.771) 6.336 4.421 ( 0.325 -0.800 0.051) 0.865 4.473 ( 0.204 0.485 -2.310) 2.370 4.738 ( -4.177 -0.447 3.213) 5.288 4.788 ( 7.546 -1.424 -1.855) 7.900 5.018 ( -2.749 0.879 -0.679) 2.965 5.095 ( 4.758 -2.983 3.893) 6.833 5.221 ( 1.808 -0.085 2.663) 3.220 5.300 ( -5.342 0.449 -0.222) 5.366 5.345 ( -4.345 -3.586 -0.617) 5.668 5.606 ( -3.086 0.157 -1.854) 3.603 5.710 ( 0.247 0.968 0.166) 1.013 5.899 ( 5.985 4.952 -1.314) 7.878 5.995 ( 0.323 0.961 3.889) 4.019 6.121 ( -1.152 -4.918 -3.989) 6.436 6.318 ( -2.578 2.431 0.004) 3.544 6.637 ( -1.115 2.648 11.309) 11.668 6.870 ( 2.625 0.014 1.618) 3.084 7.027 ( 3.090 -1.867 3.747) 5.203 7.111 ( -11.144 1.446 -11.326) 15.955 7.957 ( -1.645 2.303 -1.946) 3.435 18.572 ( -0.022 0.028 0.659) 0.660 18.578 ( -0.090 -0.088 -0.814) 0.823 18.642 ( 0.130 -0.098 0.785) 0.802 18.687 ( -0.267 0.091 -1.379) 1.408 18.718 ( 0.716 0.282 -0.255) 0.811 18.726 ( -1.016 -0.016 0.801) 1.294 18.933 ( -0.018 0.031 0.447) 0.448 18.948 ( 0.126 0.163 -0.517) 0.557 19.254 ( -0.173 0.004 0.761) 0.780 19.274 ( -0.081 0.078 -0.752) 0.760 19.473 ( -0.062 0.053 0.940) 0.944 19.495 ( 0.173 0.295 -0.715) 0.792 41.878 ( -0.018 0.241 0.265) 0.359 41.895 ( 0.081 0.145 -0.238) 0.290 41.958 ( 0.088 1.368 0.161) 1.380 42.002 ( 0.442 -0.099 -0.085) 0.461 42.058 ( -0.361 0.459 -0.121) 0.596 42.098 ( 0.112 -2.730 0.335) 2.752 65.666 ( -0.848 -0.404 0.016) 0.939 65.903 ( -10.567 1.528 0.540) 10.691 66.331 ( 0.802 1.311 1.076) 1.876 66.465 ( 4.106 -4.756 4.459) 7.705 66.717 ( -6.468 -11.191 7.395) 14.892 67.657 ( 19.352 0.893 -8.311) 21.080 ======================= Grid point 211 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 1.196 0.245 1.664) 2.064 1.135 ( 2.774 -2.893 -5.834) 7.078 1.242 ( 3.248 -0.182 -1.391) 3.538 1.339 ( 0.250 -0.964 1.825) 2.079 1.523 ( 7.399 -2.656 -5.864) 9.807 1.848 ( 2.888 -0.905 -3.010) 4.269 1.924 ( 6.298 15.615 -4.814) 17.512 2.009 ( -0.039 -0.957 0.957) 1.354 2.308 ( 1.422 -0.614 0.735) 1.714 2.461 ( -0.474 3.410 -1.873) 3.920 2.631 ( -2.075 -2.881 -4.167) 5.475 2.682 ( 2.322 0.733 11.175) 11.437 2.874 ( 2.312 -2.201 4.235) 5.303 3.153 ( 3.689 2.087 4.760) 6.373 3.231 ( -1.146 3.023 -2.022) 3.813 3.414 ( -0.419 -1.930 3.834) 4.313 3.583 ( 3.093 -0.007 5.503) 6.313 3.665 ( -4.612 -0.565 0.644) 4.691 3.765 ( 1.240 0.409 2.670) 2.972 3.895 ( 2.113 -1.982 -4.635) 5.466 4.065 ( -1.726 -0.462 -1.573) 2.380 4.206 ( 2.807 -2.454 -3.008) 4.791 4.411 ( -0.378 1.169 0.165) 1.240 4.459 ( 2.271 3.250 -3.009) 4.977 4.734 ( -2.104 -3.482 -0.032) 4.069 4.865 ( 4.126 2.382 -3.206) 5.743 4.998 ( -0.521 -7.083 0.079) 7.103 5.180 ( -4.200 -1.571 -1.001) 4.595 5.194 ( -3.061 -3.025 -0.820) 4.381 5.295 ( 4.546 -0.032 -0.361) 4.561 5.399 ( 1.028 -1.969 6.337) 6.715 5.550 ( -3.945 -0.612 -1.136) 4.151 5.711 ( 0.981 -0.846 -0.883) 1.568 5.880 ( -1.845 6.011 -1.704) 6.515 5.914 ( 0.603 2.580 -2.216) 3.454 6.170 ( 0.718 -4.259 -2.870) 5.186 6.265 ( -1.606 0.960 -0.095) 1.873 6.614 ( -4.766 6.257 4.939) 9.288 6.913 ( -4.530 -0.926 -5.319) 7.047 6.934 ( 4.184 -0.324 2.771) 5.029 7.138 ( 2.001 -2.034 4.772) 5.560 7.870 ( -3.105 2.264 -3.162) 4.976 18.572 ( -0.078 -0.124 -0.701) 0.716 18.579 ( 0.136 0.078 0.784) 0.800 18.655 ( 0.378 -0.130 1.033) 1.107 18.669 ( -0.332 0.176 -1.097) 1.160 18.718 ( -1.113 -0.029 0.765) 1.350 18.725 ( 0.922 0.247 -0.400) 1.035 18.934 ( -0.261 0.077 0.287) 0.395 18.943 ( -0.094 0.062 -0.298) 0.319 19.260 ( 0.176 0.070 0.528) 0.561 19.266 ( 0.023 0.074 -0.737) 0.741 19.479 ( -0.111 0.093 0.885) 0.897 19.486 ( -0.035 0.266 -0.773) 0.818 41.876 ( 0.083 0.296 0.141) 0.338 41.888 ( -0.059 0.486 -0.480) 0.686 41.941 ( 0.145 1.531 0.136) 1.544 42.011 ( 0.348 -0.163 0.359) 0.526 42.048 ( -0.409 -0.051 -0.355) 0.544 42.136 ( -0.127 -2.884 0.152) 2.891 65.685 ( 2.292 -1.419 -0.071) 2.697 65.772 ( -5.888 1.340 -0.103) 6.040 66.283 ( -5.369 -3.554 -5.472) 8.450 66.650 ( 7.177 2.205 14.982) 16.758 66.823 ( -10.998 -14.436 7.018) 19.458 67.794 ( 16.752 3.555 -12.827) 21.396 ======================= Grid point 212 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 1.365 1.183 1.647) 2.444 1.162 ( -1.022 -3.540 -2.714) 4.576 1.272 ( 2.560 -0.838 -2.620) 3.758 1.347 ( -1.780 0.053 1.918) 2.618 1.595 ( 6.605 4.420 2.650) 8.378 1.764 ( -0.702 10.882 3.801) 11.548 1.898 ( 4.485 1.359 -3.712) 5.979 2.013 ( -0.404 -1.085 -2.457) 2.716 2.348 ( 2.734 1.890 0.871) 3.436 2.413 ( -1.540 -1.108 -0.103) 1.900 2.603 ( -2.582 -2.875 -2.697) 4.712 2.701 ( 0.223 7.360 -0.391) 7.374 2.971 ( 5.306 1.280 4.315) 6.958 3.115 ( -0.986 5.721 -1.630) 6.029 3.246 ( 1.588 -3.052 4.166) 5.403 3.435 ( -1.886 1.318 1.085) 2.544 3.586 ( -3.099 1.389 0.340) 3.413 3.685 ( 3.977 -1.890 4.445) 6.257 3.868 ( 5.298 -0.367 5.172) 7.413 3.894 ( -0.627 -1.216 -5.044) 5.226 4.023 ( -3.404 0.024 -0.380) 3.425 4.254 ( -0.016 -1.897 4.407) 4.798 4.386 ( 2.012 3.931 0.733) 4.476 4.434 ( 2.440 0.724 -2.798) 3.782 4.729 ( -2.621 -2.089 -3.393) 4.769 4.828 ( 0.209 1.533 -3.118) 3.481 5.085 ( -2.529 -4.473 -4.007) 6.516 5.124 ( -2.688 -3.960 -0.604) 4.824 5.235 ( 0.232 -5.484 0.005) 5.489 5.324 ( 2.603 3.193 -0.649) 4.170 5.451 ( -1.708 -0.041 2.735) 3.225 5.495 ( -3.754 -1.647 -0.639) 4.149 5.742 ( 0.954 -1.265 0.457) 1.649 5.769 ( -2.155 1.873 -0.366) 2.879 5.908 ( 5.017 3.251 -3.574) 6.965 6.187 ( -0.474 -1.370 -1.359) 1.987 6.250 ( -1.442 -3.033 -2.224) 4.028 6.488 ( -4.269 2.761 -2.400) 5.622 6.876 ( 0.024 0.579 -0.362) 0.683 7.044 ( 5.937 -1.209 5.411) 8.123 7.184 ( -1.163 1.305 3.137) 3.591 7.795 ( -2.803 -1.306 -2.649) 4.072 18.569 ( 0.105 -0.111 -0.542) 0.563 18.586 ( 0.089 0.134 0.787) 0.804 18.653 ( -0.075 0.286 -0.799) 0.852 18.676 ( 0.493 -0.249 1.379) 1.485 18.708 ( -1.230 -0.024 0.640) 1.386 18.730 ( 0.834 0.182 -0.605) 1.047 18.930 ( -0.351 -0.032 0.050) 0.356 18.938 ( -0.346 -0.077 -0.215) 0.415 19.257 ( 0.319 0.137 -0.876) 0.943 19.270 ( 0.304 -0.001 0.525) 0.607 19.473 ( -0.036 0.193 -0.825) 0.848 19.484 ( -0.363 -0.003 0.902) 0.973 41.875 ( -0.146 0.403 0.210) 0.477 41.877 ( 0.071 0.096 -0.671) 0.681 41.931 ( 0.360 0.917 0.144) 0.996 42.012 ( -0.454 0.466 0.091) 0.657 42.050 ( 0.337 -0.695 0.143) 0.786 42.160 ( -0.503 -1.694 -0.413) 1.815 65.703 ( -1.599 0.749 -0.067) 1.767 65.771 ( 6.353 -2.998 -0.723) 7.062 66.198 ( -6.964 -4.428 -6.411) 10.450 66.817 ( -0.882 0.686 15.938) 15.977 66.860 ( -7.802 -5.420 8.090) 12.478 67.829 ( 14.091 6.568 -17.184) 23.173 ======================= Grid point 213 (103/114) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( 1.219 1.603 2.433) 3.158 1.126 ( -3.259 0.298 -3.482) 4.779 1.283 ( -0.219 -0.725 -1.449) 1.635 1.312 ( -2.207 4.391 2.973) 5.744 1.678 ( 0.092 5.128 6.722) 8.455 1.687 ( 3.253 3.224 10.527) 11.480 1.906 ( 1.981 1.376 -2.165) 3.241 1.991 ( 0.136 0.641 -1.877) 1.988 2.305 ( -4.231 2.453 0.841) 4.962 2.402 ( -2.805 6.905 -4.877) 8.907 2.557 ( 1.521 -2.520 -3.027) 4.222 2.630 ( 1.193 0.493 -1.775) 2.195 3.042 ( 0.128 5.779 7.276) 9.293 3.050 ( 6.095 2.342 -5.147) 8.314 3.324 ( -0.128 -0.994 2.163) 2.383 3.365 ( -3.542 1.296 -1.735) 4.152 3.549 ( -0.780 2.055 1.196) 2.502 3.735 ( -1.181 2.926 -6.834) 7.527 3.864 ( 5.183 -0.393 4.547) 6.906 3.904 ( 1.745 4.278 -1.974) 5.024 4.064 ( 1.143 -4.630 6.864) 8.358 4.287 ( -3.422 3.168 5.303) 7.062 4.424 ( 1.658 -2.706 2.195) 3.859 4.460 ( 1.991 -1.880 -1.635) 3.189 4.670 ( -1.963 -0.273 -1.879) 2.731 4.796 ( 0.124 1.354 -2.202) 2.588 5.041 ( -4.140 0.199 -3.195) 5.234 5.114 ( -4.517 -4.806 -1.139) 6.693 5.241 ( -0.682 4.708 -1.368) 4.949 5.294 ( 2.876 -0.666 -3.576) 4.637 5.401 ( -6.043 -1.365 -2.115) 6.547 5.572 ( 4.241 -5.026 4.912) 8.208 5.730 ( -2.398 -2.258 -0.783) 3.386 5.801 ( 1.333 -0.786 3.147) 3.507 5.901 ( 4.547 4.299 -3.750) 7.295 6.186 ( -0.813 -1.943 0.200) 2.115 6.253 ( -1.792 -3.037 -0.808) 3.618 6.402 ( -2.438 -1.555 -8.438) 8.920 6.873 ( 2.174 1.890 -0.532) 2.930 7.104 ( -3.826 3.913 0.342) 5.484 7.240 ( 8.584 -2.394 7.934) 11.931 7.783 ( -2.999 -5.287 -1.970) 6.390 18.569 ( 0.353 -0.054 -0.384) 0.524 18.589 ( -0.219 0.136 0.615) 0.666 18.646 ( 0.381 0.277 -0.482) 0.674 18.693 ( -0.933 0.109 0.742) 1.197 18.700 ( 0.129 -0.434 1.306) 1.382 18.734 ( 0.707 0.074 -0.767) 1.046 18.927 ( -0.236 -0.149 -0.201) 0.344 18.933 ( -0.519 -0.306 -0.025) 0.603 19.256 ( 0.675 0.101 -0.750) 1.013 19.277 ( 0.038 -0.000 0.352) 0.354 19.467 ( 0.215 0.059 -0.761) 0.793 19.484 ( -0.689 -0.088 0.836) 1.087 41.869 ( 0.006 -0.003 -0.165) 0.165 41.879 ( -0.125 -0.524 -0.081) 0.545 41.931 ( 0.625 0.323 0.154) 0.720 41.993 ( -0.882 0.541 -0.379) 1.102 42.069 ( 0.722 -0.323 0.716) 1.067 42.156 ( -0.853 -0.018 -0.971) 1.292 65.701 ( 1.699 0.113 0.556) 1.792 65.923 ( 10.235 -4.305 -3.288) 11.580 66.108 ( -6.315 -4.047 -4.206) 8.600 66.774 ( -18.878 -9.094 5.236) 21.598 66.957 ( 7.550 12.522 18.159) 23.315 67.733 ( 8.190 10.726 -20.603) 24.629 ======================= Grid point 214 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.136 1.469 5.163) 5.370 1.039 ( -2.265 1.448 -3.768) 4.629 1.246 ( -2.015 5.368 4.059) 7.025 1.264 ( 0.727 2.074 -2.960) 3.687 1.646 ( 0.088 6.673 9.154) 11.329 1.805 ( -0.251 -1.227 -1.323) 1.822 1.883 ( 1.377 -0.097 1.606) 2.118 2.006 ( -1.087 0.054 5.902) 6.001 2.149 ( -3.302 5.402 -5.415) 8.331 2.256 ( -3.049 0.421 -4.631) 5.561 2.643 ( -0.024 0.200 3.647) 3.653 2.651 ( 3.705 -4.477 -0.745) 5.859 2.991 ( 1.561 5.693 -1.498) 6.090 3.058 ( 1.665 6.143 -0.098) 6.365 3.266 ( -0.850 3.202 -3.374) 4.729 3.304 ( -2.358 0.791 -1.450) 2.879 3.543 ( 0.322 0.990 2.766) 2.955 3.651 ( -3.471 -1.262 -4.329) 5.691 3.824 ( 7.820 13.543 -0.139) 15.639 4.027 ( 2.623 1.855 2.003) 3.786 4.104 ( -5.327 2.468 4.926) 7.664 4.244 ( -0.934 -6.280 2.188) 6.715 4.433 ( -2.782 0.667 -1.328) 3.154 4.475 ( 1.165 -2.659 -2.439) 3.792 4.717 ( 0.635 0.938 2.921) 3.133 4.770 ( 1.426 2.173 1.310) 2.910 4.937 ( -0.512 0.630 -2.328) 2.465 5.095 ( -4.077 -3.254 -0.228) 5.221 5.232 ( 1.392 -1.560 -1.066) 2.347 5.308 ( -5.297 -1.169 -2.050) 5.798 5.353 ( 5.878 -2.404 -1.921) 6.635 5.639 ( -8.176 -3.701 -2.515) 9.320 5.770 ( 5.464 -0.929 2.564) 6.107 5.846 ( -0.153 -0.986 1.954) 2.194 5.888 ( 6.399 6.680 3.078) 9.749 6.219 ( -4.418 3.447 -4.510) 7.193 6.243 ( 0.923 -5.660 1.759) 5.999 6.327 ( -2.730 -6.891 -7.328) 10.423 6.878 ( 3.654 2.828 -1.515) 4.862 6.985 ( -4.799 4.943 0.554) 6.912 7.486 ( 10.031 -5.542 7.267) 13.570 7.783 ( -5.160 -6.447 -3.064) 8.807 18.573 ( 0.583 -0.000 -0.317) 0.664 18.586 ( -0.562 0.094 0.426) 0.711 18.650 ( 0.890 0.214 -0.204) 0.938 18.678 ( -1.306 0.102 0.283) 1.340 18.722 ( 0.274 -0.466 1.423) 1.522 18.736 ( 0.539 -0.105 -0.907) 1.060 18.926 ( 0.152 -0.272 -0.364) 0.479 18.932 ( -0.602 -0.567 0.305) 0.882 19.261 ( 0.860 0.071 -0.516) 1.006 19.276 ( -0.443 0.005 0.230) 0.499 19.467 ( 0.627 -0.062 -0.646) 0.902 19.481 ( -0.935 -0.180 0.684) 1.172 41.873 ( 0.329 -0.478 -0.098) 0.589 41.883 ( -0.367 -0.632 0.087) 0.736 41.942 ( 0.790 -0.280 0.206) 0.863 41.973 ( -0.956 0.025 -0.447) 1.056 42.085 ( 0.768 0.540 0.829) 1.253 42.125 ( -0.975 1.269 -1.097) 1.940 65.754 ( 4.184 -0.502 1.825) 4.592 65.954 ( -4.353 -1.929 -6.786) 8.290 66.208 ( 13.079 -5.931 -0.181) 14.362 66.640 ( -18.227 -5.638 3.515) 19.400 67.021 ( 6.919 16.152 17.404) 24.732 67.456 ( -1.012 15.715 -20.313) 25.702 ======================= Grid point 215 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.990 0.291 -6.591) 6.672 0.980 ( -0.990 0.291 6.591) 6.672 1.197 ( 1.426 4.771 -5.360) 7.316 1.197 ( -1.426 4.771 5.360) 7.316 1.686 ( -2.978 3.476 -11.232) 12.129 1.686 ( 2.978 3.476 11.232) 12.129 1.971 ( 6.437 -3.251 -10.735) 12.932 1.971 ( -6.437 -3.251 10.735) 12.932 2.182 ( 0.033 -2.290 -8.748) 9.042 2.182 ( -0.033 -2.290 8.748) 9.042 2.684 ( 0.902 0.028 -9.026) 9.071 2.684 ( -0.902 0.028 9.026) 9.071 2.958 ( 3.765 3.901 -5.703) 7.868 2.958 ( -3.765 3.901 5.703) 7.868 3.253 ( 1.378 0.597 -3.363) 3.683 3.253 ( -1.378 0.597 3.363) 3.683 3.555 ( -1.406 5.083 -4.873) 7.180 3.555 ( 1.406 5.083 4.873) 7.180 3.790 ( -6.121 11.024 -3.077) 12.979 3.790 ( 6.121 11.024 3.077) 12.979 4.245 ( -5.001 -3.893 -5.609) 8.463 4.245 ( 5.001 -3.893 5.609) 8.463 4.478 ( -0.165 -3.430 -7.720) 8.450 4.478 ( 0.165 -3.430 7.720) 8.450 4.698 ( -2.891 3.985 -0.660) 4.967 4.698 ( 2.891 3.985 0.660) 4.967 5.063 ( -7.503 -3.767 -1.722) 8.570 5.063 ( 7.503 -3.767 1.722) 8.570 5.265 ( 1.575 -2.824 -2.614) 4.158 5.265 ( -1.575 -2.824 2.614) 4.158 5.491 ( -8.067 0.565 -4.097) 9.065 5.491 ( 8.067 0.565 4.097) 9.065 5.836 ( -0.295 0.017 -1.594) 1.621 5.836 ( 0.295 0.017 1.594) 1.621 5.992 ( -9.292 5.842 -8.369) 13.803 5.992 ( 9.292 5.842 8.369) 13.803 6.362 ( -1.395 -7.414 -2.307) 7.889 6.362 ( 1.395 -7.414 2.307) 7.889 6.878 ( 1.876 3.568 -1.340) 4.247 6.878 ( -1.876 3.568 1.340) 4.247 7.737 ( -8.052 -5.875 -5.086) 11.190 7.737 ( 8.052 -5.875 5.086) 11.190 18.579 ( 0.602 0.035 -0.394) 0.720 18.579 ( -0.602 0.035 0.394) 0.720 18.661 ( -1.194 0.117 0.130) 1.206 18.661 ( 1.194 0.117 -0.130) 1.206 18.737 ( 0.256 -0.324 -1.008) 1.090 18.737 ( -0.256 -0.324 1.008) 1.090 18.934 ( 0.670 -0.520 -0.442) 0.956 18.934 ( -0.670 -0.520 0.442) 0.956 19.269 ( 0.250 0.020 -0.191) 0.315 19.269 ( -0.250 0.020 0.191) 0.315 19.475 ( 0.926 -0.188 -0.579) 1.108 19.475 ( -0.926 -0.188 0.579) 1.108 41.884 ( 0.065 -0.240 -0.168) 0.300 41.884 ( -0.065 -0.240 0.168) 0.300 41.962 ( -0.831 -0.762 -0.264) 1.158 41.962 ( 0.831 -0.762 0.264) 1.158 42.089 ( -0.648 1.283 -0.702) 1.600 42.089 ( 0.648 1.283 0.702) 1.600 65.854 ( -5.668 -0.773 -4.026) 6.995 65.854 ( 5.668 -0.773 4.026) 6.995 66.477 ( -14.719 -3.390 1.056) 15.141 66.477 ( 14.719 -3.390 -1.056) 15.141 67.041 ( -5.414 16.344 -16.242) 23.669 67.041 ( 5.414 16.344 16.242) 23.669 ======================= Grid point 219 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 1.912 0.000 3.107) 3.648 1.111 ( 2.867 0.000 -6.529) 7.131 1.240 ( 3.863 0.000 -1.832) 4.276 1.321 ( 0.658 0.000 3.175) 3.242 1.472 ( 10.476 0.000 -8.520) 13.503 1.825 ( 7.745 0.000 -6.743) 10.269 1.991 ( -0.101 -0.000 0.739) 0.746 2.195 ( -0.522 -0.000 1.736) 1.813 2.274 ( 0.564 0.000 -0.320) 0.648 2.535 ( 2.577 0.000 -8.376) 8.764 2.602 ( -2.256 -0.000 6.036) 6.443 2.724 ( -2.348 -0.000 -1.498) 2.785 2.741 ( 9.365 0.000 10.141) 13.804 3.164 ( 4.367 0.000 5.085) 6.703 3.345 ( -1.577 -0.000 1.914) 2.479 3.378 ( 4.984 0.000 4.206) 6.521 3.608 ( 0.634 0.000 4.853) 4.894 3.657 ( -4.258 -0.000 4.855) 6.458 3.761 ( 1.347 0.000 1.935) 2.357 3.877 ( 3.151 0.000 -6.384) 7.119 4.071 ( -0.615 -0.000 -5.413) 5.448 4.111 ( 3.868 0.000 -5.781) 6.955 4.433 ( 0.842 0.000 -0.139) 0.853 4.489 ( 3.660 0.000 -2.120) 4.230 4.676 ( -4.660 -0.000 0.366) 4.675 4.866 ( 6.744 0.000 -1.776) 6.974 4.979 ( -3.509 -0.000 1.194) 3.706 5.125 ( -1.521 -0.000 -1.070) 1.860 5.168 ( -7.007 -0.000 -2.594) 7.472 5.282 ( 4.522 0.000 -0.414) 4.541 5.378 ( 3.307 0.000 8.891) 9.486 5.536 ( -4.096 -0.000 -1.173) 4.260 5.697 ( -1.475 -0.000 -0.693) 1.629 5.922 ( -9.917 -0.000 -3.762) 10.606 6.028 ( 6.123 0.000 -2.398) 6.576 6.063 ( 1.326 0.000 -1.081) 1.711 6.291 ( -2.929 -0.000 -0.238) 2.938 6.705 ( -4.284 -0.000 4.543) 6.244 6.899 ( -4.681 -0.000 -5.802) 7.455 6.925 ( 3.645 0.000 1.083) 3.803 7.111 ( 2.520 0.000 6.683) 7.143 7.904 ( -4.168 -0.000 -4.147) 5.880 18.570 ( -0.058 -0.000 -0.717) 0.719 18.580 ( 0.148 0.000 0.831) 0.844 18.653 ( 0.431 0.000 1.141) 1.219 18.672 ( -0.362 -0.000 -1.232) 1.284 18.718 ( -1.124 -0.000 0.815) 1.388 18.729 ( 0.763 0.000 -0.262) 0.807 18.935 ( -0.374 -0.000 0.507) 0.630 18.944 ( -0.144 -0.000 -0.492) 0.512 19.261 ( 0.238 0.000 0.769) 0.805 19.267 ( 0.032 0.000 -1.051) 1.052 19.480 ( -0.125 -0.000 1.033) 1.040 19.490 ( -0.182 -0.000 -0.825) 0.844 41.883 ( 0.121 0.000 0.284) 0.309 41.894 ( -0.079 -0.000 -0.312) 0.322 41.975 ( 0.551 0.000 0.193) 0.584 42.001 ( 0.209 0.000 -0.459) 0.504 42.066 ( -0.428 -0.000 -0.180) 0.464 42.070 ( -0.288 -0.000 0.347) 0.451 65.667 ( 1.537 0.000 -0.080) 1.539 65.790 ( -6.716 -0.000 -0.334) 6.724 66.288 ( -4.908 -0.000 -3.763) 6.185 66.476 ( -6.533 -0.000 6.623) 9.303 66.740 ( 6.084 0.000 16.106) 17.217 67.843 ( 19.528 0.000 -15.432) 24.890 ======================= Grid point 220 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 1.921 1.274 3.679) 4.341 1.094 ( 1.087 -1.461 -5.577) 5.867 1.276 ( 3.958 0.513 -2.727) 4.834 1.334 ( -2.359 -0.522 2.327) 3.354 1.597 ( 12.566 -1.716 -4.072) 13.320 1.899 ( 5.066 1.190 2.151) 5.631 1.981 ( -0.863 -0.921 -2.227) 2.560 2.115 ( 0.647 9.878 -1.396) 9.997 2.305 ( 0.102 -4.120 -1.014) 4.244 2.506 ( 2.708 2.176 -4.481) 5.670 2.543 ( -2.796 4.492 1.816) 5.594 2.773 ( 0.262 -5.191 2.082) 5.599 2.954 ( 9.382 0.707 6.454) 11.409 3.224 ( 0.035 3.140 0.491) 3.178 3.308 ( 0.195 4.017 4.309) 5.895 3.484 ( 3.329 0.383 4.794) 5.850 3.601 ( -3.014 1.841 5.113) 6.214 3.670 ( 0.298 0.174 4.246) 4.260 3.779 ( -1.832 -0.395 -0.822) 2.046 3.822 ( -2.901 -4.406 -0.911) 5.353 4.082 ( 7.193 1.873 -5.012) 8.965 4.175 ( 1.991 -4.465 -1.171) 5.027 4.426 ( -0.050 1.009 -0.715) 1.237 4.523 ( 5.606 2.349 -3.623) 7.076 4.651 ( -0.855 -3.284 -1.660) 3.778 4.898 ( -0.966 3.927 -3.710) 5.488 4.954 ( 2.742 -2.328 -1.724) 3.989 5.086 ( -4.117 -0.558 0.691) 4.212 5.089 ( -5.072 -5.303 -0.188) 7.341 5.338 ( 4.677 -0.288 -2.433) 5.280 5.471 ( -4.156 -0.271 -0.626) 4.212 5.484 ( 0.813 1.706 5.329) 5.654 5.689 ( 0.002 -2.234 -0.677) 2.334 5.772 ( -7.698 -2.069 -1.855) 8.184 6.012 ( 3.059 4.322 -3.206) 6.189 6.108 ( 1.160 -3.196 -2.545) 4.247 6.241 ( -3.068 0.675 -0.648) 3.208 6.559 ( -8.100 1.821 -6.906) 10.799 6.912 ( 2.693 2.116 4.671) 5.792 7.003 ( 4.577 -2.067 2.516) 5.618 7.192 ( 0.359 -0.049 7.493) 7.502 7.793 ( -5.122 0.486 -5.488) 7.523 18.566 ( 0.153 -0.058 -0.517) 0.542 18.588 ( 0.079 0.050 0.801) 0.807 18.659 ( -0.095 0.149 -0.874) 0.892 18.671 ( 0.542 -0.114 1.410) 1.514 18.708 ( -1.214 0.008 0.748) 1.426 18.735 ( 0.661 0.131 -0.459) 0.815 18.931 ( -0.648 0.044 0.329) 0.728 18.937 ( -0.330 -0.025 -0.450) 0.558 19.260 ( 0.365 0.081 -1.080) 1.143 19.271 ( 0.339 0.034 0.633) 0.719 19.479 ( -0.171 0.200 -0.801) 0.843 19.485 ( -0.364 0.018 0.943) 1.011 41.883 ( 0.134 0.435 -0.011) 0.455 41.889 ( -0.104 0.222 -0.261) 0.359 41.968 ( 0.450 1.904 -0.002) 1.957 42.012 ( 0.582 -0.948 -0.039) 1.113 42.041 ( -0.781 0.845 -0.119) 1.157 42.095 ( -0.475 -2.992 -0.038) 3.029 65.709 ( 3.105 -0.774 -0.728) 3.282 65.723 ( -1.187 -0.189 -0.282) 1.235 66.157 ( -6.620 1.671 -3.131) 7.512 66.481 ( -12.623 -12.695 4.731) 18.517 66.979 ( 8.010 3.032 21.257) 22.918 67.941 ( 16.913 2.372 -19.954) 26.265 ======================= Grid point 221 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 1.760 1.940 1.449) 2.993 1.096 ( -0.045 -2.138 -2.886) 3.593 1.273 ( 0.153 0.868 -2.008) 2.193 1.335 ( -0.899 -0.864 1.410) 1.882 1.747 ( 7.673 -0.339 0.232) 7.684 1.927 ( -0.641 8.094 5.444) 9.776 1.951 ( 1.392 1.439 0.101) 2.005 2.027 ( 5.119 5.744 -3.185) 8.327 2.355 ( -2.018 -3.198 0.162) 3.785 2.442 ( 3.859 5.237 -0.111) 6.506 2.547 ( 0.244 -1.784 -0.094) 1.803 2.756 ( -3.845 6.204 -3.229) 7.981 3.075 ( 6.961 1.904 1.549) 7.381 3.151 ( -1.522 0.041 -0.733) 1.689 3.336 ( 2.783 4.289 5.635) 7.609 3.450 ( -2.124 6.218 -0.508) 6.591 3.585 ( -3.217 1.866 2.349) 4.399 3.710 ( 1.940 -4.157 2.317) 5.139 3.806 ( -2.003 -3.129 1.353) 3.954 3.914 ( 0.137 -7.321 4.545) 8.618 4.093 ( 6.502 5.996 -2.047) 9.078 4.231 ( -1.285 -3.649 4.502) 5.936 4.408 ( -0.343 -0.319 -1.530) 1.600 4.503 ( 2.490 4.516 -4.290) 6.708 4.673 ( 1.859 0.673 -1.550) 2.513 4.824 ( 0.044 0.938 -1.720) 1.960 4.963 ( -2.493 -4.628 -5.596) 7.678 5.050 ( -2.492 0.375 0.127) 2.523 5.142 ( 0.104 -6.699 -2.374) 7.108 5.388 ( -3.925 0.741 -3.820) 5.527 5.404 ( 2.803 -0.134 1.174) 3.042 5.454 ( -1.199 0.156 1.845) 2.206 5.707 ( -2.073 -1.618 -2.643) 3.728 5.755 ( -1.302 -2.658 4.430) 5.328 5.996 ( 4.187 2.091 -3.050) 5.586 6.136 ( 0.757 -3.043 -2.528) 4.028 6.182 ( -3.807 0.026 -0.878) 3.908 6.397 ( -6.010 0.211 -5.509) 8.155 6.944 ( 3.945 3.857 1.901) 5.836 7.123 ( 3.171 -2.131 3.163) 4.960 7.234 ( 0.093 1.259 7.340) 7.448 7.689 ( -4.641 -2.112 -5.165) 7.258 18.568 ( 0.405 -0.059 -0.333) 0.527 18.592 ( -0.250 0.083 0.569) 0.628 18.653 ( 0.362 0.208 -0.549) 0.690 18.692 ( 0.367 -0.183 1.507) 1.562 18.696 ( -1.103 0.084 0.712) 1.315 18.737 ( 0.529 0.133 -0.705) 0.892 18.924 ( -0.594 -0.061 0.152) 0.616 18.929 ( -0.412 -0.085 -0.444) 0.612 19.259 ( 0.726 0.098 -0.897) 1.158 19.278 ( 0.068 0.074 0.435) 0.447 19.470 ( 0.132 0.191 -0.741) 0.777 19.484 ( -0.658 0.051 0.860) 1.084 41.877 ( 0.138 0.431 -0.551) 0.713 41.881 ( -0.202 0.656 0.134) 0.700 41.953 ( 0.652 1.475 0.032) 1.613 42.011 ( -0.869 0.898 -0.008) 1.250 42.046 ( 0.725 -1.488 0.239) 1.672 42.120 ( -0.809 -2.578 -0.474) 2.743 65.704 ( 0.911 0.235 0.291) 0.985 65.820 ( 8.186 -3.689 -2.234) 9.252 66.036 ( -6.762 -0.953 -2.465) 7.260 66.477 ( -16.370 -13.115 4.201) 21.392 67.201 ( 6.757 6.800 23.617) 25.488 67.928 ( 12.214 5.126 -23.397) 26.886 ======================= Grid point 222 (109/114) ======================= q-point: (-0.38 0.25 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 1.179 1.279 1.843) 2.534 1.068 ( -1.716 0.630 -3.453) 3.907 1.268 ( 1.025 -0.367 0.116) 1.094 1.328 ( -1.852 0.543 0.605) 2.023 1.789 ( -1.205 3.514 6.497) 7.484 1.865 ( 1.792 3.545 -3.725) 5.446 1.972 ( 5.926 6.990 4.430) 10.179 2.036 ( 3.987 2.749 0.751) 4.901 2.285 ( -3.206 5.041 0.471) 5.993 2.430 ( -5.679 12.777 -4.610) 14.722 2.540 ( 2.765 -4.157 1.505) 5.214 2.621 ( -0.084 -1.368 -3.303) 3.576 3.139 ( 5.770 1.081 -3.408) 6.788 3.151 ( -0.877 1.996 3.973) 4.532 3.345 ( 0.163 7.808 2.446) 8.184 3.373 ( 1.172 1.671 3.021) 3.645 3.539 ( -2.879 -0.676 -0.187) 2.963 3.671 ( -6.049 5.630 -7.993) 11.497 3.859 ( 4.514 -7.506 4.526) 9.859 4.027 ( -2.600 -7.425 2.765) 8.339 4.127 ( 9.484 7.524 -0.002) 12.106 4.292 ( -3.680 0.088 4.662) 5.940 4.400 ( -1.786 -0.499 1.599) 2.448 4.451 ( 0.812 0.236 -4.235) 4.319 4.690 ( 3.242 -0.298 3.717) 4.941 4.831 ( 2.444 1.725 0.168) 2.997 4.941 ( -4.479 -6.576 -5.361) 9.594 4.990 ( -3.247 2.192 -1.857) 4.336 5.180 ( -0.033 -3.865 -2.652) 4.687 5.283 ( -4.533 -0.291 -5.352) 7.020 5.384 ( 3.173 3.712 1.785) 5.199 5.545 ( -2.154 -2.331 1.201) 3.393 5.705 ( 3.763 -4.081 -1.012) 5.643 5.800 ( -2.005 -2.916 3.186) 4.761 6.015 ( 3.870 2.761 1.472) 4.977 6.143 ( -2.774 -3.163 -1.063) 4.339 6.168 ( 0.897 -2.994 -1.794) 3.604 6.284 ( -4.794 0.135 -5.611) 7.382 6.964 ( 5.004 4.221 0.144) 6.549 7.101 ( -4.642 3.928 1.098) 6.179 7.370 ( 7.109 -3.737 6.985) 10.644 7.634 ( -5.091 -5.211 -4.372) 8.496 18.573 ( 0.611 -0.017 -0.232) 0.654 18.588 ( -0.594 0.075 0.326) 0.682 18.655 ( 0.852 0.223 -0.288) 0.927 18.681 ( -1.266 0.111 0.393) 1.331 18.714 ( 0.353 -0.189 1.587) 1.636 18.735 ( 0.333 0.021 -0.990) 1.044 18.920 ( -0.289 -0.207 0.022) 0.357 18.923 ( -0.334 -0.215 -0.263) 0.477 19.263 ( 0.901 0.100 -0.610) 1.093 19.277 ( -0.409 0.085 0.302) 0.516 19.467 ( 0.562 0.113 -0.637) 0.857 19.479 ( -0.872 0.042 0.721) 1.133 41.870 ( 0.136 0.321 -0.306) 0.464 41.873 ( -0.227 0.134 0.053) 0.269 41.951 ( 0.949 0.864 0.161) 1.294 41.985 ( -1.138 0.771 -0.243) 1.396 42.079 ( 1.078 -1.074 0.773) 1.707 42.125 ( -1.114 -1.321 -0.914) 1.955 65.742 ( 3.360 -0.360 1.396) 3.656 65.904 ( -2.436 -1.858 -5.625) 6.405 66.047 ( 8.915 -6.451 0.380) 11.011 66.418 ( -17.571 -10.915 3.395) 20.962 67.363 ( 4.673 10.728 24.395) 27.057 67.771 ( 5.308 9.248 -25.375) 27.524 ======================= Grid point 223 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.818 1.323 -5.622) 5.834 1.005 ( -0.818 1.323 5.622) 5.834 1.288 ( 1.239 1.635 -1.350) 2.456 1.288 ( -1.239 1.635 1.350) 2.456 1.788 ( 0.241 4.193 -8.309) 9.311 1.788 ( -0.241 4.193 8.310) 9.311 2.002 ( 3.171 5.389 -12.182) 13.693 2.002 ( -3.171 5.389 12.182) 13.693 2.199 ( -0.560 4.959 -5.318) 7.293 2.199 ( 0.560 4.959 5.318) 7.293 2.634 ( -0.404 -3.266 -1.166) 3.492 2.634 ( 0.404 -3.266 1.166) 3.492 3.124 ( 3.532 6.330 -8.126) 10.889 3.124 ( -3.532 6.330 8.126) 10.889 3.295 ( -0.523 4.839 -3.615) 6.062 3.295 ( 0.523 4.839 3.615) 6.062 3.562 ( -1.268 -2.382 -3.859) 4.709 3.562 ( 1.268 -2.382 3.859) 4.709 4.053 ( -4.188 -3.821 -3.691) 6.764 4.053 ( 4.188 -3.821 3.691) 6.764 4.141 ( 0.406 7.450 -6.147) 9.667 4.141 ( -0.406 7.450 6.147) 9.667 4.427 ( 0.095 -1.267 -5.279) 5.430 4.427 ( -0.095 -1.267 5.279) 5.430 4.805 ( -3.077 2.725 -3.234) 5.230 4.805 ( 3.077 2.725 3.234) 5.230 4.939 ( -4.720 -4.973 -1.568) 7.034 4.939 ( 4.720 -4.973 1.568) 7.034 5.217 ( 1.548 -1.564 -4.323) 4.851 5.217 ( -1.548 -1.564 4.323) 4.851 5.465 ( -5.483 -0.765 -3.669) 6.641 5.465 ( 5.483 -0.765 3.669) 6.641 5.814 ( 2.136 -2.376 -4.659) 5.649 5.814 ( -2.136 -2.376 4.659) 5.649 6.099 ( -5.539 0.849 -9.281) 10.842 6.099 ( 5.539 0.849 9.281) 10.842 6.208 ( 1.208 -3.114 -2.179) 3.988 6.208 ( -1.208 -3.114 2.179) 3.988 6.980 ( -2.485 4.549 -0.744) 5.237 6.980 ( 2.485 4.549 0.744) 5.237 7.584 ( -6.630 -6.005 -5.836) 10.680 7.584 ( 6.630 -6.005 5.836) 10.680 18.580 ( 0.235 0.039 -0.186) 0.302 18.580 ( -0.235 0.039 0.186) 0.302 18.665 ( -1.078 0.180 0.191) 1.109 18.665 ( 1.078 0.180 -0.191) 1.109 18.730 ( 0.058 -0.197 -1.273) 1.289 18.730 ( -0.058 -0.197 1.273) 1.289 18.922 ( 0.279 -0.365 -0.384) 0.599 18.922 ( -0.279 -0.365 0.384) 0.599 19.270 ( 0.478 0.082 -0.334) 0.589 19.270 ( -0.478 0.082 0.334) 0.589 19.472 ( 0.854 -0.005 -0.649) 1.072 19.472 ( -0.854 -0.005 0.649) 1.072 41.872 ( 0.340 -0.377 -0.698) 0.863 41.872 ( -0.340 -0.377 0.698) 0.863 41.959 ( -1.025 0.484 -0.346) 1.185 41.959 ( 1.025 0.484 0.346) 1.185 42.109 ( -1.068 -0.049 -1.093) 1.529 42.109 ( 1.068 -0.049 1.093) 1.529 65.827 ( -4.870 -1.202 -3.391) 6.054 65.827 ( 4.870 -1.202 3.391) 6.054 66.321 ( -16.434 -8.403 2.019) 18.568 66.321 ( 16.434 -8.403 -2.019) 18.568 67.449 ( -0.206 14.317 -25.907) 29.600 67.449 ( 0.206 14.317 25.907) 29.600 ======================= Grid point 229 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 1.638 0.000 4.531) 4.818 1.047 ( 1.203 0.000 -6.313) 6.427 1.299 ( -3.908 -0.000 1.990) 4.386 1.313 ( 3.118 0.000 -2.386) 3.926 1.731 ( 10.545 0.000 -2.683) 10.881 1.936 ( -1.104 -0.000 -3.524) 3.693 2.029 ( 4.353 0.000 8.784) 9.803 2.200 ( 2.615 0.000 1.327) 2.933 2.214 ( -2.131 -0.000 -3.606) 4.188 2.508 ( 2.308 0.000 -0.789) 2.439 2.646 ( 2.074 0.000 -0.811) 2.227 2.715 ( 0.489 0.000 1.281) 1.371 3.107 ( 5.602 0.000 -2.100) 5.983 3.274 ( -3.649 -0.000 2.571) 4.463 3.334 ( -2.520 -0.000 11.040) 11.324 3.489 ( -0.658 -0.000 -3.248) 3.314 3.676 ( 0.709 0.000 5.419) 5.465 3.688 ( -0.751 -0.000 -7.345) 7.384 3.717 ( -0.591 -0.000 -3.903) 3.947 3.785 ( 0.774 0.000 12.635) 12.659 4.165 ( -1.270 -0.000 4.591) 4.764 4.171 ( 7.795 0.000 -4.845) 9.178 4.421 ( 1.171 0.000 -3.593) 3.779 4.537 ( -0.455 -0.000 -4.533) 4.555 4.696 ( 10.390 0.000 -1.422) 10.487 4.878 ( -1.841 -0.000 -3.782) 4.206 4.920 ( -6.644 -0.000 -3.487) 7.504 4.994 ( 2.328 0.000 1.504) 2.771 5.073 ( -1.912 -0.000 3.450) 3.945 5.386 ( 5.908 0.000 -2.347) 6.357 5.390 ( -4.625 -0.000 -5.239) 6.988 5.499 ( -4.959 -0.000 2.805) 5.698 5.646 ( -1.162 -0.000 -2.334) 2.607 5.711 ( -1.906 -0.000 5.973) 6.270 6.009 ( -0.031 -0.000 -4.752) 4.752 6.113 ( 2.732 0.000 -1.051) 2.927 6.188 ( -3.966 -0.000 -1.335) 4.184 6.400 ( -6.872 -0.000 -7.104) 9.884 7.040 ( 4.319 0.000 6.357) 7.685 7.050 ( 4.643 0.000 -0.117) 4.644 7.252 ( -1.444 -0.000 9.110) 9.224 7.668 ( -5.572 -0.000 -7.240) 9.136 18.567 ( 0.433 0.000 -0.316) 0.536 18.593 ( -0.264 -0.000 0.554) 0.614 18.655 ( 0.348 0.000 -0.586) 0.682 18.690 ( 0.363 0.000 1.512) 1.555 18.697 ( -1.054 -0.000 0.782) 1.312 18.739 ( 0.433 0.000 -0.668) 0.796 18.923 ( -0.772 -0.000 0.309) 0.831 18.928 ( -0.353 -0.000 -0.574) 0.674 19.260 ( 0.749 0.000 -0.980) 1.233 19.279 ( 0.046 0.000 0.506) 0.508 19.473 ( 0.062 0.000 -0.742) 0.744 19.485 ( -0.644 -0.000 0.876) 1.088 41.886 ( -0.020 -0.000 -0.287) 0.287 41.889 ( 0.066 0.000 0.055) 0.086 41.997 ( 0.850 0.000 0.028) 0.851 42.003 ( 0.487 0.000 -0.253) 0.549 42.046 ( -0.726 -0.000 -0.175) 0.747 42.057 ( -0.903 -0.000 0.059) 0.905 65.710 ( 0.764 0.000 0.182) 0.785 65.768 ( 6.774 0.000 -2.034) 7.072 66.055 ( -7.885 -0.000 -1.618) 8.049 66.264 ( -11.726 -0.000 3.386) 12.205 67.284 ( 6.265 0.000 25.109) 25.879 67.990 ( 12.851 0.000 -23.866) 27.105 ======================= Grid point 230 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 2.358 1.311 -2.503) 3.680 1.066 ( -0.892 -0.662 0.576) 1.251 1.272 ( -1.139 0.444 2.623) 2.894 1.324 ( 0.244 -0.331 -1.947) 1.990 1.816 ( 3.237 0.093 0.498) 3.276 1.895 ( -1.112 -0.101 -3.633) 3.801 2.098 ( 2.555 2.546 1.169) 3.792 2.138 ( 0.103 3.671 1.641) 4.023 2.351 ( 6.639 -3.021 6.529) 9.789 2.537 ( 2.010 -1.129 -2.608) 3.481 2.587 ( 3.012 9.594 -0.044) 10.055 2.731 ( -4.737 3.550 -0.522) 5.942 3.108 ( -1.057 -1.443 -1.509) 2.340 3.161 ( -2.417 2.681 -1.892) 4.075 3.407 ( -0.162 1.723 5.608) 5.869 3.484 ( -0.833 -2.712 0.330) 2.856 3.602 ( 2.508 3.980 -6.160) 7.751 3.718 ( 0.660 -4.387 -1.243) 4.607 3.744 ( -0.478 -0.832 5.581) 5.663 3.876 ( -2.154 -0.539 3.719) 4.331 4.197 ( 0.989 -0.145 5.731) 5.818 4.232 ( 2.960 -1.647 0.245) 3.397 4.410 ( 2.153 1.131 -2.876) 3.766 4.484 ( -1.442 0.244 -5.284) 5.482 4.772 ( 2.021 5.858 -0.015) 6.197 4.813 ( -1.084 -0.466 -1.516) 1.921 4.873 ( 3.527 -1.201 -2.312) 4.385 5.042 ( -3.630 -0.109 -1.590) 3.964 5.076 ( 2.729 -2.099 2.966) 4.545 5.271 ( -5.152 -0.671 -6.511) 8.330 5.466 ( -0.775 2.224 4.400) 4.990 5.490 ( 6.657 -2.342 1.778) 7.277 5.618 ( -1.827 -2.721 -4.682) 5.716 5.717 ( -5.395 -2.435 3.290) 6.772 6.006 ( 2.657 -1.557 -2.203) 3.786 6.109 ( -2.693 0.276 -2.959) 4.011 6.151 ( 0.956 0.039 1.882) 2.111 6.277 ( -4.655 -0.307 -4.483) 6.470 7.072 ( 4.769 4.109 0.581) 6.321 7.145 ( 0.264 -0.744 1.911) 2.067 7.313 ( 1.035 -0.802 9.433) 9.523 7.545 ( -4.828 -1.903 -7.647) 9.242 18.573 ( 0.651 -0.014 -0.188) 0.678 18.589 ( -0.624 0.027 0.276) 0.683 18.659 ( 0.828 0.094 -0.358) 0.907 18.683 ( -1.228 0.045 0.491) 1.323 18.711 ( 0.409 -0.034 1.624) 1.675 18.736 ( 0.191 0.041 -1.004) 1.022 18.917 ( -0.521 -0.048 0.319) 0.613 18.920 ( -0.203 -0.048 -0.566) 0.603 19.265 ( 0.950 0.049 -0.706) 1.185 19.279 ( -0.453 0.056 0.398) 0.606 19.471 ( 0.488 0.100 -0.629) 0.803 19.481 ( -0.825 0.054 0.722) 1.098 41.882 ( 0.167 0.468 -0.229) 0.547 41.886 ( -0.167 0.467 0.031) 0.497 41.984 ( 0.840 1.881 -0.037) 2.061 42.012 ( -1.062 1.621 -0.071) 1.939 42.037 ( 1.030 -2.099 0.199) 2.347 42.071 ( -1.006 -2.694 -0.292) 2.890 65.742 ( 3.269 0.318 1.019) 3.439 65.861 ( 5.555 -1.886 -5.136) 7.797 65.949 ( -2.867 -0.599 1.382) 3.239 66.175 ( -12.611 -7.187 2.558) 14.739 67.535 ( 3.091 3.397 26.812) 27.203 67.914 ( 7.213 2.764 -26.294) 27.406 ======================= Grid point 231 (113/114) ======================= q-point: (-0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 1.102 0.893 -3.931) 4.179 1.033 ( -1.102 0.893 3.931) 4.179 1.298 ( -1.169 -0.065 -2.223) 2.513 1.298 ( 1.169 -0.065 2.223) 2.513 1.848 ( 0.800 0.902 -5.349) 5.484 1.848 ( -0.800 0.902 5.349) 5.484 2.104 ( 5.225 2.608 -6.096) 8.442 2.104 ( -5.225 2.608 6.096) 8.442 2.473 ( -7.830 13.257 -4.796) 16.127 2.473 ( 7.830 13.257 4.796) 16.127 2.547 ( -0.750 -2.286 -3.284) 4.072 2.547 ( 0.750 -2.286 3.284) 4.072 3.141 ( 0.566 -2.573 -2.665) 3.747 3.141 ( -0.566 -2.573 2.665) 3.747 3.444 ( -2.200 0.921 -4.838) 5.394 3.444 ( 2.200 0.921 4.838) 5.394 3.606 ( -8.341 8.136 -3.729) 12.234 3.606 ( 8.341 8.136 3.729) 12.234 3.866 ( -4.993 -7.247 -2.351) 9.109 3.866 ( 4.993 -7.247 2.351) 9.109 4.269 ( 2.373 -0.722 -3.446) 4.246 4.269 ( -2.373 -0.722 3.446) 4.246 4.420 ( 0.644 0.984 -5.627) 5.748 4.420 ( -0.644 0.984 5.627) 5.748 4.766 ( -2.132 -0.305 -4.715) 5.183 4.766 ( 2.132 -0.305 4.715) 5.183 4.944 ( -4.991 1.742 -2.410) 5.810 4.944 ( 4.991 1.742 2.410) 5.810 5.176 ( -3.203 -1.674 -4.338) 5.646 5.176 ( 3.203 -1.674 4.338) 5.646 5.494 ( -3.500 2.272 -3.407) 5.387 5.494 ( 3.500 2.272 3.407) 5.387 5.703 ( 1.147 -6.149 -4.173) 7.519 5.703 ( -1.147 -6.149 4.173) 7.519 6.060 ( -1.391 -1.609 -1.653) 2.694 6.060 ( 1.391 -1.609 1.653) 2.694 6.197 ( -2.898 0.129 -3.192) 4.313 6.197 ( 2.898 0.129 3.192) 4.313 7.089 ( -4.092 4.002 0.174) 5.726 7.089 ( 4.092 4.002 -0.174) 5.726 7.459 ( -4.217 -3.929 -7.616) 9.551 7.459 ( 4.217 -3.929 7.616) 9.551 18.581 ( -0.526 0.017 0.089) 0.533 18.581 ( 0.526 0.017 -0.089) 0.533 18.669 ( -0.759 0.133 0.191) 0.793 18.669 ( 0.759 0.133 -0.191) 0.793 18.727 ( -0.091 -0.031 -1.363) 1.366 18.727 ( 0.091 -0.031 1.363) 1.366 18.916 ( 0.166 -0.129 -0.457) 0.503 18.916 ( -0.166 -0.129 0.457) 0.503 19.273 ( 0.729 0.087 -0.445) 0.858 19.273 ( -0.729 0.087 0.445) 0.858 19.474 ( 0.799 0.105 -0.634) 1.025 19.474 ( -0.799 0.105 0.634) 1.025 41.876 ( 0.317 0.621 -0.352) 0.781 41.876 ( -0.317 0.621 0.352) 0.781 41.979 ( -1.102 1.191 -0.105) 1.626 41.979 ( 1.102 1.191 0.105) 1.626 42.082 ( -1.106 -2.029 -0.668) 2.405 42.082 ( 1.106 -2.029 0.668) 2.405 65.808 ( -4.208 -0.170 -2.654) 4.978 65.808 ( 4.208 -0.170 2.654) 4.978 66.110 ( -11.709 -7.796 1.105) 14.111 66.110 ( 11.709 -7.796 -1.105) 14.111 67.703 ( 1.474 6.534 -27.486) 28.290 67.703 ( -1.474 6.534 27.486) 28.290 ======================= Grid point 240 (114/114) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 3.689 0.000 -3.100) 4.819 1.045 ( -3.689 -0.000 3.100) 4.819 1.298 ( -0.000 -0.000 -4.175) 4.175 1.298 ( 0.000 0.000 4.175) 4.175 1.857 ( -1.055 -0.000 -2.526) 2.737 1.857 ( 1.055 0.000 2.526) 2.737 2.138 ( -0.913 -0.000 -1.025) 1.373 2.138 ( 0.913 0.000 1.025) 1.373 2.485 ( -3.528 -0.000 -7.007) 7.845 2.485 ( 3.528 0.000 7.007) 7.845 2.713 ( 4.625 0.000 -3.330) 5.699 2.713 ( -4.625 -0.000 3.330) 5.699 3.095 ( -1.477 -0.000 -3.025) 3.366 3.095 ( 1.477 0.000 3.025) 3.366 3.451 ( 0.723 0.000 -2.898) 2.987 3.451 ( -0.723 -0.000 2.898) 2.987 3.628 ( -3.814 -0.000 -1.438) 4.076 3.628 ( 3.814 0.000 1.438) 4.076 3.844 ( -6.561 -0.000 1.631) 6.761 3.844 ( 6.561 0.000 -1.631) 6.761 4.238 ( 3.505 0.000 -8.975) 9.635 4.238 ( -3.505 -0.000 8.975) 9.635 4.432 ( -2.686 -0.000 0.479) 2.728 4.432 ( 2.686 0.000 -0.479) 2.728 4.799 ( -0.626 -0.000 0.008) 0.626 4.799 ( 0.626 0.000 -0.008) 0.626 4.964 ( -7.326 -0.000 0.847) 7.375 4.964 ( 7.326 0.000 -0.847) 7.375 5.149 ( -3.847 -0.000 -5.903) 7.046 5.149 ( 3.847 0.000 5.903) 7.046 5.523 ( -1.565 -0.000 -4.544) 4.806 5.523 ( 1.565 0.000 4.544) 4.806 5.605 ( -8.575 -0.000 0.112) 8.576 5.605 ( 8.575 0.000 -0.112) 8.576 6.042 ( -3.731 -0.000 -1.543) 4.037 6.042 ( 3.731 0.000 1.543) 4.037 6.197 ( -2.869 -0.000 -2.493) 3.801 6.197 ( 2.869 0.000 2.493) 3.801 7.146 ( 2.177 0.000 -1.596) 2.699 7.146 ( -2.177 -0.000 1.596) 2.699 7.406 ( -2.830 -0.000 -9.925) 10.321 7.406 ( 2.830 0.000 9.925) 10.321 18.581 ( -0.750 -0.000 0.152) 0.765 18.581 ( 0.750 0.000 -0.152) 0.765 18.671 ( 1.104 0.000 -0.376) 1.166 18.671 ( -1.104 -0.000 0.376) 1.166 18.727 ( -0.150 -0.000 -1.382) 1.390 18.727 ( 0.150 0.000 1.382) 1.390 18.915 ( 0.161 0.000 -0.494) 0.520 18.915 ( -0.161 -0.000 0.494) 0.520 19.274 ( 0.866 0.000 -0.493) 0.997 19.274 ( -0.866 -0.000 0.493) 0.997 19.475 ( 0.774 0.000 -0.620) 0.991 19.475 ( -0.774 -0.000 0.620) 0.991 41.887 ( -0.176 -0.000 -0.004) 0.176 41.887 ( 0.176 0.000 0.004) 0.176 42.017 ( -0.175 -0.000 -0.051) 0.182 42.017 ( 0.175 0.000 0.051) 0.182 42.030 ( -0.497 -0.000 -0.058) 0.501 42.030 ( 0.497 0.000 0.058) 0.501 65.814 ( -4.191 -0.000 -2.677) 4.973 65.814 ( 4.191 0.000 2.677) 4.973 65.998 ( -8.922 -0.000 0.899) 8.967 65.998 ( 8.922 0.000 -0.899) 8.967 67.781 ( 1.867 0.000 -27.505) 27.568 67.781 ( -1.867 -0.000 27.505) 27.568 =================== 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 3/25344 10.0 3.293 4.204 3.450 -0.000 -1.062 -0.000 3/25344 20.0 0.883 1.082 0.978 -0.000 -0.222 -0.000 3/25344 30.0 0.496 0.584 0.569 -0.000 -0.102 -0.000 3/25344 40.0 0.353 0.409 0.414 -0.000 -0.061 -0.000 3/25344 50.0 0.280 0.322 0.333 -0.000 -0.040 -0.000 3/25344 60.0 0.237 0.270 0.283 -0.000 -0.028 -0.000 3/25344 70.0 0.209 0.234 0.250 -0.000 -0.020 -0.000 3/25344 80.0 0.187 0.208 0.225 -0.000 -0.014 -0.000 3/25344 90.0 0.171 0.188 0.205 -0.000 -0.010 -0.000 3/25344 100.0 0.158 0.172 0.189 -0.000 -0.007 -0.000 3/25344 110.0 0.146 0.158 0.176 -0.000 -0.005 -0.000 3/25344 120.0 0.137 0.147 0.164 -0.000 -0.003 -0.000 3/25344 130.0 0.128 0.137 0.154 -0.000 -0.002 -0.000 3/25344 140.0 0.121 0.128 0.145 -0.000 -0.001 -0.000 3/25344 150.0 0.114 0.121 0.138 -0.000 -0.000 -0.000 3/25344 160.0 0.109 0.114 0.131 -0.000 0.000 -0.000 3/25344 170.0 0.104 0.108 0.125 -0.000 0.000 -0.000 3/25344 180.0 0.099 0.103 0.119 -0.000 0.001 -0.000 3/25344 190.0 0.095 0.098 0.114 -0.000 0.001 -0.000 3/25344 200.0 0.091 0.094 0.109 -0.000 0.001 -0.000 3/25344 210.0 0.088 0.090 0.105 -0.000 0.001 -0.000 3/25344 220.0 0.085 0.086 0.101 -0.000 0.001 -0.000 3/25344 230.0 0.082 0.083 0.098 -0.000 0.001 -0.000 3/25344 240.0 0.080 0.080 0.095 -0.000 0.001 -0.000 3/25344 250.0 0.077 0.077 0.092 -0.000 0.001 -0.000 3/25344 260.0 0.075 0.075 0.089 -0.000 0.001 -0.000 3/25344 270.0 0.073 0.072 0.087 -0.000 0.001 -0.000 3/25344 280.0 0.072 0.070 0.084 -0.000 0.001 -0.000 3/25344 290.0 0.070 0.069 0.082 -0.000 0.001 -0.000 3/25344 300.0 0.069 0.067 0.081 -0.000 0.001 -0.000 3/25344 310.0 0.068 0.065 0.079 -0.000 0.001 -0.000 3/25344 320.0 0.067 0.064 0.078 -0.000 0.001 -0.000 3/25344 330.0 0.067 0.063 0.076 -0.000 0.001 -0.000 3/25344 340.0 0.066 0.062 0.075 -0.000 0.001 -0.000 3/25344 350.0 0.066 0.061 0.074 -0.000 0.001 -0.000 3/25344 360.0 0.066 0.060 0.074 -0.000 0.001 -0.000 3/25344 370.0 0.066 0.060 0.073 -0.000 0.001 -0.000 3/25344 380.0 0.066 0.059 0.073 -0.000 0.001 -0.000 3/25344 390.0 0.067 0.059 0.072 -0.000 0.001 -0.000 3/25344 400.0 0.067 0.059 0.072 -0.000 0.001 -0.000 3/25344 410.0 0.068 0.059 0.072 -0.000 0.001 -0.000 3/25344 420.0 0.069 0.059 0.072 -0.000 0.001 -0.000 3/25344 430.0 0.070 0.059 0.073 -0.000 0.002 -0.000 3/25344 440.0 0.071 0.059 0.073 -0.000 0.002 -0.000 3/25344 450.0 0.072 0.060 0.074 -0.000 0.002 -0.000 3/25344 460.0 0.073 0.060 0.074 -0.000 0.002 -0.000 3/25344 470.0 0.075 0.061 0.075 -0.000 0.002 -0.000 3/25344 480.0 0.076 0.062 0.076 -0.000 0.002 -0.000 3/25344 490.0 0.078 0.062 0.076 -0.000 0.002 -0.000 3/25344 500.0 0.079 0.063 0.077 -0.000 0.003 -0.000 3/25344 510.0 0.081 0.064 0.078 -0.000 0.003 -0.000 3/25344 520.0 0.083 0.065 0.079 -0.000 0.003 -0.000 3/25344 530.0 0.085 0.066 0.080 -0.000 0.003 -0.000 3/25344 540.0 0.087 0.067 0.082 -0.000 0.004 -0.000 3/25344 550.0 0.088 0.068 0.083 -0.000 0.004 -0.000 3/25344 560.0 0.090 0.069 0.084 -0.000 0.004 -0.000 3/25344 570.0 0.092 0.070 0.085 -0.000 0.004 -0.000 3/25344 580.0 0.094 0.071 0.086 -0.000 0.004 -0.000 3/25344 590.0 0.096 0.072 0.088 -0.000 0.005 -0.000 3/25344 600.0 0.098 0.073 0.089 -0.000 0.005 -0.000 3/25344 610.0 0.100 0.074 0.090 -0.000 0.005 -0.000 3/25344 620.0 0.102 0.075 0.092 -0.000 0.005 -0.000 3/25344 630.0 0.104 0.076 0.093 -0.000 0.006 -0.000 3/25344 640.0 0.106 0.077 0.094 -0.000 0.006 -0.000 3/25344 650.0 0.108 0.079 0.095 -0.000 0.006 -0.000 3/25344 660.0 0.110 0.080 0.097 -0.000 0.006 -0.000 3/25344 670.0 0.112 0.081 0.098 -0.000 0.006 -0.000 3/25344 680.0 0.114 0.082 0.099 -0.000 0.007 -0.000 3/25344 690.0 0.116 0.083 0.100 -0.000 0.007 -0.000 3/25344 700.0 0.118 0.084 0.102 -0.000 0.007 -0.000 3/25344 710.0 0.119 0.085 0.103 -0.000 0.007 -0.000 3/25344 720.0 0.121 0.086 0.104 -0.000 0.007 -0.000 3/25344 730.0 0.123 0.087 0.105 -0.000 0.008 -0.000 3/25344 740.0 0.125 0.088 0.106 -0.000 0.008 -0.000 3/25344 750.0 0.126 0.089 0.107 -0.000 0.008 -0.000 3/25344 760.0 0.128 0.090 0.108 -0.000 0.008 -0.000 3/25344 770.0 0.129 0.091 0.109 -0.000 0.008 -0.000 3/25344 780.0 0.131 0.091 0.110 -0.000 0.009 -0.000 3/25344 790.0 0.132 0.092 0.111 -0.000 0.009 -0.000 3/25344 800.0 0.134 0.093 0.112 -0.000 0.009 -0.000 3/25344 810.0 0.135 0.094 0.113 -0.000 0.009 -0.000 3/25344 820.0 0.137 0.095 0.114 -0.000 0.009 -0.000 3/25344 830.0 0.138 0.095 0.115 -0.000 0.009 -0.000 3/25344 840.0 0.139 0.096 0.116 -0.000 0.010 -0.000 3/25344 850.0 0.141 0.097 0.117 -0.000 0.010 -0.000 3/25344 860.0 0.142 0.098 0.117 -0.000 0.010 -0.000 3/25344 870.0 0.143 0.098 0.118 -0.000 0.010 -0.000 3/25344 880.0 0.144 0.099 0.119 -0.000 0.010 -0.000 3/25344 890.0 0.145 0.099 0.119 -0.000 0.010 -0.000 3/25344 900.0 0.146 0.100 0.120 -0.000 0.010 -0.000 3/25344 910.0 0.147 0.100 0.121 -0.000 0.010 -0.000 3/25344 920.0 0.148 0.101 0.121 -0.000 0.011 -0.000 3/25344 930.0 0.149 0.102 0.122 -0.000 0.011 -0.000 3/25344 940.0 0.150 0.102 0.122 -0.000 0.011 -0.000 3/25344 950.0 0.151 0.102 0.123 -0.000 0.011 -0.000 3/25344 960.0 0.152 0.103 0.123 -0.000 0.011 -0.000 3/25344 970.0 0.152 0.103 0.124 -0.000 0.011 -0.000 3/25344 980.0 0.153 0.104 0.124 -0.000 0.011 -0.000 3/25344 990.0 0.154 0.104 0.125 -0.000 0.011 -0.000 3/25344 1000.0 0.154 0.104 0.125 -0.000 0.011 -0.000 3/25344 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:00:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|