----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:49:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.818731333972676 0.000000000000000 0.000000000000000 b 0.000000000000000 7.447926930000000 0.000000000000000 c -6.432618484994651 0.000000000000000 9.459942515401817 Atomic positions (fractional): *1 P 0.62954222015028 0.10819206442124 0.56486041772813 30.974 2 P 0.37045777984972 0.89180793557876 0.43513958227187 30.974 3 P 0.37045777984972 0.60819206442124 0.93513958227187 30.974 4 P 0.62954222015028 0.39180793557876 0.06486041772813 30.974 *5 Ca 0.71639058400941 0.61353709370192 0.75330443345975 40.078 6 Ca 0.71639058400941 0.88646290629808 0.25330443345975 40.078 7 Ca 0.28360941599059 0.11353709370192 0.74669556654025 40.078 8 Ca 0.28360941599059 0.38646290629808 0.24669556654025 40.078 *9 Se 0.89209396986519 0.98687253923957 0.77118420098686 78.960 *10 Se 0.22209992978617 0.79225175336822 0.55170569367211 78.960 11 Se 0.77790007021383 0.29225175336822 0.94829430632789 78.960 12 Se 0.77790007021383 0.20774824663178 0.44829430632788 78.960 *13 Se 0.39612807795120 0.18555226667028 0.06108516287171 78.960 14 Se 0.60387192204880 0.68555226667028 0.43891483712829 78.960 15 Se 0.60387192204880 0.81444773332972 0.93891483712829 78.960 16 Se 0.39612807795120 0.31444773332972 0.56108516287171 78.960 17 Se 0.10790603013481 0.48687253923957 0.72881579901314 78.960 18 Se 0.10790603013481 0.01312746076043 0.22881579901314 78.960 19 Se 0.89209396986519 0.51312746076043 0.27118420098686 78.960 20 Se 0.22209992978617 0.70774824663178 0.05170569367211 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.818731333972676 0.000000000000000 0.000000000000000 b 0.000000000000000 7.447926930000000 0.000000000000000 c -6.432618484994651 0.000000000000000 9.459942515401817 Atomic positions (fractional): *1 P 0.62954222015028 0.10819206442124 0.56486041772813 30.974 > 1 2 P 0.37045777984972 0.89180793557876 0.43513958227187 30.974 > 2 3 P 0.37045777984972 0.60819206442124 0.93513958227187 30.974 > 3 4 P 0.62954222015028 0.39180793557876 0.06486041772813 30.974 > 4 *5 Ca 0.71639058400941 0.61353709370192 0.75330443345975 40.078 > 5 6 Ca 0.71639058400941 0.88646290629808 0.25330443345975 40.078 > 6 7 Ca 0.28360941599059 0.11353709370192 0.74669556654025 40.078 > 7 8 Ca 0.28360941599059 0.38646290629808 0.24669556654025 40.078 > 8 *9 Se 0.89209396986519 0.98687253923957 0.77118420098686 78.960 > 9 *10 Se 0.22209992978617 0.79225175336822 0.55170569367211 78.960 > 10 11 Se 0.77790007021383 0.29225175336822 0.94829430632789 78.960 > 11 12 Se 0.77790007021383 0.20774824663178 0.44829430632788 78.960 > 12 *13 Se 0.39612807795120 0.18555226667028 0.06108516287171 78.960 > 13 14 Se 0.60387192204880 0.68555226667028 0.43891483712829 78.960 > 14 15 Se 0.60387192204880 0.81444773332972 0.93891483712829 78.960 > 15 16 Se 0.39612807795120 0.31444773332972 0.56108516287171 78.960 > 16 17 Se 0.10790603013481 0.48687253923957 0.72881579901314 78.960 > 17 18 Se 0.10790603013481 0.01312746076043 0.22881579901314 78.960 > 18 19 Se 0.89209396986519 0.51312746076043 0.27118420098686 78.960 > 19 20 Se 0.22209992978617 0.70774824663178 0.05170569367211 78.960 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.637462667945352 0.000000000000000 0.000000000000000 b 0.000000000000000 14.895853860000001 0.000000000000000 c -6.432618484994651 0.000000000000000 9.459942515401817 Atomic positions (fractional): *1 P 0.31477111007514 0.05409603221062 0.56486041772813 30.974 > 1 2 P 0.81477111007514 0.05409603221062 0.56486041772813 30.974 > 1 3 P 0.31477111007514 0.55409603221062 0.56486041772813 30.974 > 1 4 P 0.81477111007514 0.55409603221062 0.56486041772813 30.974 > 1 5 P 0.18522888992486 0.44590396778938 0.43513958227187 30.974 > 2 6 P 0.68522888992486 0.44590396778938 0.43513958227187 30.974 > 2 7 P 0.18522888992486 0.94590396778938 0.43513958227187 30.974 > 2 8 P 0.68522888992486 0.94590396778938 0.43513958227187 30.974 > 2 9 P 0.18522888992486 0.30409603221062 0.93513958227187 30.974 > 3 10 P 0.68522888992486 0.30409603221062 0.93513958227187 30.974 > 3 11 P 0.18522888992486 0.80409603221062 0.93513958227187 30.974 > 3 12 P 0.68522888992486 0.80409603221062 0.93513958227187 30.974 > 3 13 P 0.31477111007514 0.19590396778938 0.06486041772813 30.974 > 4 14 P 0.81477111007514 0.19590396778938 0.06486041772813 30.974 > 4 15 P 0.31477111007514 0.69590396778938 0.06486041772813 30.974 > 4 16 P 0.81477111007514 0.69590396778938 0.06486041772813 30.974 > 4 *17 Ca 0.35819529200470 0.30676854685096 0.75330443345975 40.078 > 5 18 Ca 0.85819529200470 0.30676854685096 0.75330443345975 40.078 > 5 19 Ca 0.35819529200470 0.80676854685096 0.75330443345975 40.078 > 5 20 Ca 0.85819529200470 0.80676854685096 0.75330443345975 40.078 > 5 21 Ca 0.35819529200470 0.44323145314904 0.25330443345975 40.078 > 6 22 Ca 0.85819529200470 0.44323145314904 0.25330443345975 40.078 > 6 23 Ca 0.35819529200470 0.94323145314904 0.25330443345975 40.078 > 6 24 Ca 0.85819529200470 0.94323145314904 0.25330443345975 40.078 > 6 25 Ca 0.14180470799530 0.05676854685096 0.74669556654025 40.078 > 7 26 Ca 0.64180470799530 0.05676854685096 0.74669556654025 40.078 > 7 27 Ca 0.14180470799530 0.55676854685096 0.74669556654025 40.078 > 7 28 Ca 0.64180470799530 0.55676854685096 0.74669556654025 40.078 > 7 29 Ca 0.14180470799530 0.19323145314904 0.24669556654025 40.078 > 8 30 Ca 0.64180470799530 0.19323145314904 0.24669556654025 40.078 > 8 31 Ca 0.14180470799530 0.69323145314904 0.24669556654025 40.078 > 8 32 Ca 0.64180470799530 0.69323145314904 0.24669556654025 40.078 > 8 *33 Se 0.44604698493260 0.49343626961978 0.77118420098686 78.960 > 9 34 Se 0.94604698493260 0.49343626961978 0.77118420098686 78.960 > 9 35 Se 0.44604698493260 0.99343626961978 0.77118420098686 78.960 > 9 36 Se 0.94604698493260 0.99343626961978 0.77118420098686 78.960 > 9 *37 Se 0.11104996489309 0.39612587668411 0.55170569367211 78.960 > 10 38 Se 0.61104996489309 0.39612587668411 0.55170569367211 78.960 > 10 39 Se 0.11104996489309 0.89612587668411 0.55170569367211 78.960 > 10 40 Se 0.61104996489309 0.89612587668411 0.55170569367211 78.960 > 10 41 Se 0.38895003510691 0.14612587668411 0.94829430632789 78.960 > 11 42 Se 0.88895003510691 0.14612587668411 0.94829430632789 78.960 > 11 43 Se 0.38895003510691 0.64612587668411 0.94829430632789 78.960 > 11 44 Se 0.88895003510691 0.64612587668411 0.94829430632789 78.960 > 11 45 Se 0.38895003510691 0.10387412331589 0.44829430632788 78.960 > 12 46 Se 0.88895003510691 0.10387412331589 0.44829430632788 78.960 > 12 47 Se 0.38895003510691 0.60387412331589 0.44829430632788 78.960 > 12 48 Se 0.88895003510691 0.60387412331589 0.44829430632788 78.960 > 12 *49 Se 0.19806403897560 0.09277613333514 0.06108516287171 78.960 > 13 50 Se 0.69806403897560 0.09277613333514 0.06108516287171 78.960 > 13 51 Se 0.19806403897560 0.59277613333514 0.06108516287171 78.960 > 13 52 Se 0.69806403897560 0.59277613333514 0.06108516287171 78.960 > 13 53 Se 0.30193596102440 0.34277613333514 0.43891483712829 78.960 > 14 54 Se 0.80193596102440 0.34277613333514 0.43891483712829 78.960 > 14 55 Se 0.30193596102440 0.84277613333514 0.43891483712829 78.960 > 14 56 Se 0.80193596102440 0.84277613333514 0.43891483712829 78.960 > 14 57 Se 0.30193596102440 0.40722386666486 0.93891483712829 78.960 > 15 58 Se 0.80193596102440 0.40722386666486 0.93891483712829 78.960 > 15 59 Se 0.30193596102440 0.90722386666486 0.93891483712829 78.960 > 15 60 Se 0.80193596102440 0.90722386666486 0.93891483712829 78.960 > 15 61 Se 0.19806403897560 0.15722386666486 0.56108516287171 78.960 > 16 62 Se 0.69806403897560 0.15722386666486 0.56108516287171 78.960 > 16 63 Se 0.19806403897560 0.65722386666486 0.56108516287171 78.960 > 16 64 Se 0.69806403897560 0.65722386666486 0.56108516287171 78.960 > 16 65 Se 0.05395301506740 0.24343626961978 0.72881579901314 78.960 > 17 66 Se 0.55395301506740 0.24343626961978 0.72881579901314 78.960 > 17 67 Se 0.05395301506740 0.74343626961978 0.72881579901314 78.960 > 17 68 Se 0.55395301506740 0.74343626961978 0.72881579901314 78.960 > 17 69 Se 0.05395301506740 0.00656373038022 0.22881579901314 78.960 > 18 70 Se 0.55395301506740 0.00656373038022 0.22881579901314 78.960 > 18 71 Se 0.05395301506740 0.50656373038022 0.22881579901314 78.960 > 18 72 Se 0.55395301506740 0.50656373038022 0.22881579901314 78.960 > 18 73 Se 0.44604698493260 0.25656373038022 0.27118420098686 78.960 > 19 74 Se 0.94604698493260 0.25656373038022 0.27118420098686 78.960 > 19 75 Se 0.44604698493260 0.75656373038022 0.27118420098686 78.960 > 19 76 Se 0.94604698493260 0.75656373038022 0.27118420098686 78.960 > 19 77 Se 0.11104996489309 0.35387412331589 0.05170569367211 78.960 > 20 78 Se 0.61104996489309 0.35387412331589 0.05170569367211 78.960 > 20 79 Se 0.11104996489309 0.85387412331589 0.05170569367211 78.960 > 20 80 Se 0.61104996489309 0.85387412331589 0.05170569367211 78.960 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5331323 0.0000000 0.0246400 0.0000000 7.6385661 0.0000000 0.0246418 0.0000000 8.1567913 -------------------------- Born effective charges -------------------------- 1 P 1.9742282 -0.3112111 -0.2890656 -0.2132676 1.6707425 -0.3327604 0.1258032 -0.2121315 1.6525393 2 P 1.9742282 -0.3112111 -0.2890656 -0.2132676 1.6707425 -0.3327604 0.1258032 -0.2121315 1.6525393 3 P 1.9742282 0.3112111 -0.2890656 0.2132676 1.6707425 0.3327604 0.1258032 0.2121315 1.6525393 4 P 1.9742282 0.3112111 -0.2890656 0.2132676 1.6707425 0.3327604 0.1258032 0.2121315 1.6525393 5 Ca 2.5686141 -0.0559168 -0.1167253 0.3594243 2.5223077 -0.1048728 0.0770478 -0.5324833 2.5273820 6 Ca 2.5686141 0.0559168 -0.1167253 -0.3594243 2.5223077 0.1048728 0.0770478 0.5324833 2.5273820 7 Ca 2.5686141 0.0559168 -0.1167253 -0.3594243 2.5223077 0.1048728 0.0770478 0.5324833 2.5273820 8 Ca 2.5686141 -0.0559168 -0.1167253 0.3594243 2.5223077 -0.1048728 0.0770478 -0.5324833 2.5273820 9 Se -1.6131878 -0.0737928 0.1227405 -0.1428183 -1.2473769 -0.1133071 -0.1163743 0.1791572 -1.5036676 10 Se -1.5699967 0.2016118 0.0059770 0.0283159 -1.2842294 -0.1875221 -0.1602147 -0.5656672 -1.4548430 11 Se -1.5699967 -0.2016118 0.0059770 -0.0283159 -1.2842294 0.1875221 -0.1602147 0.5656672 -1.4548430 12 Se -1.5699967 0.2016118 0.0059770 0.0283159 -1.2842294 -0.1875221 -0.1602147 -0.5656672 -1.4548430 13 Se -1.3596578 -0.3760713 0.2770734 -0.2154449 -1.6614439 0.1526783 0.0737380 0.1157944 -1.2214107 14 Se -1.3596578 0.3760713 0.2770734 0.2154449 -1.6614439 -0.1526783 0.0737380 -0.1157944 -1.2214107 15 Se -1.3596578 -0.3760713 0.2770734 -0.2154449 -1.6614439 0.1526783 0.0737380 0.1157944 -1.2214107 16 Se -1.3596578 0.3760713 0.2770734 0.2154449 -1.6614439 -0.1526783 0.0737380 -0.1157944 -1.2214107 17 Se -1.6131878 0.0737928 0.1227405 0.1428183 -1.2473769 0.1133071 -0.1163743 -0.1791572 -1.5036676 18 Se -1.6131878 -0.0737928 0.1227405 -0.1428183 -1.2473769 -0.1133071 -0.1163743 0.1791572 -1.5036676 19 Se -1.6131878 0.0737928 0.1227405 0.1428183 -1.2473769 0.1133071 -0.1163743 -0.1791572 -1.5036676 20 Se -1.5699967 -0.2016118 0.0059770 -0.0283159 -1.2842294 0.1875221 -0.1602147 0.5656672 -1.4548430 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 391), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 640 - Time: 2.182 Solver_block: 200 / 640 - Time: 2.145 Solver_block: 300 / 640 - Time: 2.143 Solver_block: 400 / 640 - Time: 2.143 Solver_block: 500 / 640 - Time: 2.136 Solver_block: 600 / 640 - Time: 2.144 Solver_block: 640 / 640 - Time: 0.927 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 13.937 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 240/240 Permutation basis: 7440/7440 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1890 Number of blocks in projector: 1890 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 230 Use standard eigh solver. Tree of FC basis block matrices: - (1890, 1846), data: False |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True |-- (400, 391), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:50:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:50:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.818731333972676 0.000000000000000 0.000000000000000 b 0.000000000000000 7.447926930000000 0.000000000000000 c -6.432618484994651 0.000000000000000 9.459942515401817 Atomic positions (fractional): 1 P 0.62954222015028 0.10819206442124 0.56486041772813 30.974 2 P 0.37045777984972 0.89180793557876 0.43513958227187 30.974 3 P 0.37045777984972 0.60819206442124 0.93513958227187 30.974 4 P 0.62954222015028 0.39180793557876 0.06486041772813 30.974 5 Ca 0.71639058400941 0.61353709370192 0.75330443345975 40.078 6 Ca 0.71639058400941 0.88646290629808 0.25330443345975 40.078 7 Ca 0.28360941599059 0.11353709370192 0.74669556654025 40.078 8 Ca 0.28360941599059 0.38646290629808 0.24669556654025 40.078 9 Se 0.89209396986519 0.98687253923957 0.77118420098686 78.960 10 Se 0.22209992978617 0.79225175336822 0.55170569367211 78.960 11 Se 0.77790007021383 0.29225175336822 0.94829430632789 78.960 12 Se 0.77790007021383 0.20774824663178 0.44829430632788 78.960 13 Se 0.39612807795120 0.18555226667028 0.06108516287171 78.960 14 Se 0.60387192204880 0.68555226667028 0.43891483712829 78.960 15 Se 0.60387192204880 0.81444773332972 0.93891483712829 78.960 16 Se 0.39612807795120 0.31444773332972 0.56108516287171 78.960 17 Se 0.10790603013481 0.48687253923957 0.72881579901314 78.960 18 Se 0.10790603013481 0.01312746076043 0.22881579901314 78.960 19 Se 0.89209396986519 0.51312746076043 0.27118420098686 78.960 20 Se 0.22209992978617 0.70774824663178 0.05170569367211 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.637462667945352 0.000000000000000 0.000000000000000 b 0.000000000000000 14.895853860000001 0.000000000000000 c -6.432618484994651 0.000000000000000 9.459942515401817 Atomic positions (fractional): 1 P 0.31477111007514 0.05409603221062 0.56486041772813 30.974 > 1 2 P 0.81477111007514 0.05409603221062 0.56486041772813 30.974 > 1 3 P 0.31477111007514 0.55409603221062 0.56486041772813 30.974 > 1 4 P 0.81477111007514 0.55409603221062 0.56486041772813 30.974 > 1 5 P 0.18522888992486 0.44590396778938 0.43513958227187 30.974 > 5 6 P 0.68522888992486 0.44590396778938 0.43513958227187 30.974 > 5 7 P 0.18522888992486 0.94590396778938 0.43513958227187 30.974 > 5 8 P 0.68522888992486 0.94590396778938 0.43513958227187 30.974 > 5 9 P 0.18522888992486 0.30409603221062 0.93513958227187 30.974 > 9 10 P 0.68522888992486 0.30409603221062 0.93513958227187 30.974 > 9 11 P 0.18522888992486 0.80409603221062 0.93513958227187 30.974 > 9 12 P 0.68522888992486 0.80409603221062 0.93513958227187 30.974 > 9 13 P 0.31477111007514 0.19590396778938 0.06486041772813 30.974 > 13 14 P 0.81477111007514 0.19590396778938 0.06486041772813 30.974 > 13 15 P 0.31477111007514 0.69590396778938 0.06486041772813 30.974 > 13 16 P 0.81477111007514 0.69590396778938 0.06486041772813 30.974 > 13 17 Ca 0.35819529200470 0.30676854685096 0.75330443345975 40.078 > 17 18 Ca 0.85819529200470 0.30676854685096 0.75330443345975 40.078 > 17 19 Ca 0.35819529200470 0.80676854685096 0.75330443345975 40.078 > 17 20 Ca 0.85819529200470 0.80676854685096 0.75330443345975 40.078 > 17 21 Ca 0.35819529200470 0.44323145314904 0.25330443345975 40.078 > 21 22 Ca 0.85819529200470 0.44323145314904 0.25330443345975 40.078 > 21 23 Ca 0.35819529200470 0.94323145314904 0.25330443345975 40.078 > 21 24 Ca 0.85819529200470 0.94323145314904 0.25330443345975 40.078 > 21 25 Ca 0.14180470799530 0.05676854685096 0.74669556654025 40.078 > 25 26 Ca 0.64180470799530 0.05676854685096 0.74669556654025 40.078 > 25 27 Ca 0.14180470799530 0.55676854685096 0.74669556654025 40.078 > 25 28 Ca 0.64180470799530 0.55676854685096 0.74669556654025 40.078 > 25 29 Ca 0.14180470799530 0.19323145314904 0.24669556654025 40.078 > 29 30 Ca 0.64180470799530 0.19323145314904 0.24669556654025 40.078 > 29 31 Ca 0.14180470799530 0.69323145314904 0.24669556654025 40.078 > 29 32 Ca 0.64180470799530 0.69323145314904 0.24669556654025 40.078 > 29 33 Se 0.44604698493260 0.49343626961978 0.77118420098686 78.960 > 33 34 Se 0.94604698493260 0.49343626961978 0.77118420098686 78.960 > 33 35 Se 0.44604698493260 0.99343626961978 0.77118420098686 78.960 > 33 36 Se 0.94604698493260 0.99343626961978 0.77118420098686 78.960 > 33 37 Se 0.11104996489309 0.39612587668411 0.55170569367211 78.960 > 37 38 Se 0.61104996489309 0.39612587668411 0.55170569367211 78.960 > 37 39 Se 0.11104996489309 0.89612587668411 0.55170569367211 78.960 > 37 40 Se 0.61104996489309 0.89612587668411 0.55170569367211 78.960 > 37 41 Se 0.38895003510691 0.14612587668411 0.94829430632789 78.960 > 41 42 Se 0.88895003510691 0.14612587668411 0.94829430632789 78.960 > 41 43 Se 0.38895003510691 0.64612587668411 0.94829430632789 78.960 > 41 44 Se 0.88895003510691 0.64612587668411 0.94829430632789 78.960 > 41 45 Se 0.38895003510691 0.10387412331589 0.44829430632788 78.960 > 45 46 Se 0.88895003510691 0.10387412331589 0.44829430632788 78.960 > 45 47 Se 0.38895003510691 0.60387412331589 0.44829430632788 78.960 > 45 48 Se 0.88895003510691 0.60387412331589 0.44829430632788 78.960 > 45 49 Se 0.19806403897560 0.09277613333514 0.06108516287171 78.960 > 49 50 Se 0.69806403897560 0.09277613333514 0.06108516287171 78.960 > 49 51 Se 0.19806403897560 0.59277613333514 0.06108516287171 78.960 > 49 52 Se 0.69806403897560 0.59277613333514 0.06108516287171 78.960 > 49 53 Se 0.30193596102440 0.34277613333514 0.43891483712829 78.960 > 53 54 Se 0.80193596102440 0.34277613333514 0.43891483712829 78.960 > 53 55 Se 0.30193596102440 0.84277613333514 0.43891483712829 78.960 > 53 56 Se 0.80193596102440 0.84277613333514 0.43891483712829 78.960 > 53 57 Se 0.30193596102440 0.40722386666486 0.93891483712829 78.960 > 57 58 Se 0.80193596102440 0.40722386666486 0.93891483712829 78.960 > 57 59 Se 0.30193596102440 0.90722386666486 0.93891483712829 78.960 > 57 60 Se 0.80193596102440 0.90722386666486 0.93891483712829 78.960 > 57 61 Se 0.19806403897560 0.15722386666486 0.56108516287171 78.960 > 61 62 Se 0.69806403897560 0.15722386666486 0.56108516287171 78.960 > 61 63 Se 0.19806403897560 0.65722386666486 0.56108516287171 78.960 > 61 64 Se 0.69806403897560 0.65722386666486 0.56108516287171 78.960 > 61 65 Se 0.05395301506740 0.24343626961978 0.72881579901314 78.960 > 65 66 Se 0.55395301506740 0.24343626961978 0.72881579901314 78.960 > 65 67 Se 0.05395301506740 0.74343626961978 0.72881579901314 78.960 > 65 68 Se 0.55395301506740 0.74343626961978 0.72881579901314 78.960 > 65 69 Se 0.05395301506740 0.00656373038022 0.22881579901314 78.960 > 69 70 Se 0.55395301506740 0.00656373038022 0.22881579901314 78.960 > 69 71 Se 0.05395301506740 0.50656373038022 0.22881579901314 78.960 > 69 72 Se 0.55395301506740 0.50656373038022 0.22881579901314 78.960 > 69 73 Se 0.44604698493260 0.25656373038022 0.27118420098686 78.960 > 73 74 Se 0.94604698493260 0.25656373038022 0.27118420098686 78.960 > 73 75 Se 0.44604698493260 0.75656373038022 0.27118420098686 78.960 > 73 76 Se 0.94604698493260 0.75656373038022 0.27118420098686 78.960 > 73 77 Se 0.11104996489309 0.35387412331589 0.05170569367211 78.960 > 77 78 Se 0.61104996489309 0.35387412331589 0.05170569367211 78.960 > 77 79 Se 0.11104996489309 0.85387412331589 0.05170569367211 78.960 > 77 80 Se 0.61104996489309 0.85387412331589 0.05170569367211 78.960 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.5331323 0.0000000 0.0246400 0.0000000 7.6385661 0.0000000 0.0246418 0.0000000 8.1567913 -------------------------- Born effective charges -------------------------- 1 P 1.9742282 -0.3112111 -0.2890656 -0.2132676 1.6707425 -0.3327604 0.1258032 -0.2121315 1.6525393 2 P 1.9742282 -0.3112111 -0.2890656 -0.2132676 1.6707425 -0.3327604 0.1258032 -0.2121315 1.6525393 3 P 1.9742282 0.3112111 -0.2890656 0.2132676 1.6707425 0.3327604 0.1258032 0.2121315 1.6525393 4 P 1.9742282 0.3112111 -0.2890656 0.2132676 1.6707425 0.3327604 0.1258032 0.2121315 1.6525393 5 Ca 2.5686141 -0.0559168 -0.1167253 0.3594243 2.5223077 -0.1048728 0.0770478 -0.5324833 2.5273820 6 Ca 2.5686141 0.0559168 -0.1167253 -0.3594243 2.5223077 0.1048728 0.0770478 0.5324833 2.5273820 7 Ca 2.5686141 0.0559168 -0.1167253 -0.3594243 2.5223077 0.1048728 0.0770478 0.5324833 2.5273820 8 Ca 2.5686141 -0.0559168 -0.1167253 0.3594243 2.5223077 -0.1048728 0.0770478 -0.5324833 2.5273820 9 Se -1.6131878 -0.0737928 0.1227405 -0.1428183 -1.2473769 -0.1133071 -0.1163743 0.1791572 -1.5036676 10 Se -1.5699967 0.2016118 0.0059770 0.0283159 -1.2842294 -0.1875221 -0.1602147 -0.5656672 -1.4548430 11 Se -1.5699967 -0.2016118 0.0059770 -0.0283159 -1.2842294 0.1875221 -0.1602147 0.5656672 -1.4548430 12 Se -1.5699967 0.2016118 0.0059770 0.0283159 -1.2842294 -0.1875221 -0.1602147 -0.5656672 -1.4548430 13 Se -1.3596578 -0.3760713 0.2770734 -0.2154449 -1.6614439 0.1526783 0.0737380 0.1157944 -1.2214107 14 Se -1.3596578 0.3760713 0.2770734 0.2154449 -1.6614439 -0.1526783 0.0737380 -0.1157944 -1.2214107 15 Se -1.3596578 -0.3760713 0.2770734 -0.2154449 -1.6614439 0.1526783 0.0737380 0.1157944 -1.2214107 16 Se -1.3596578 0.3760713 0.2770734 0.2154449 -1.6614439 -0.1526783 0.0737380 -0.1157944 -1.2214107 17 Se -1.6131878 0.0737928 0.1227405 0.1428183 -1.2473769 0.1133071 -0.1163743 -0.1791572 -1.5036676 18 Se -1.6131878 -0.0737928 0.1227405 -0.1428183 -1.2473769 -0.1133071 -0.1163743 0.1791572 -1.5036676 19 Se -1.6131878 0.0737928 0.1227405 0.1428183 -1.2473769 0.1133071 -0.1163743 -0.1791572 -1.5036676 20 Se -1.5699967 -0.2016118 0.0059770 -0.0283159 -1.2842294 0.1875221 -0.1602147 0.5656672 -1.4548430 ---------------------------------------------------------------------------- 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 17, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 37, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:50:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:50:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.818731333972676 0.000000000000000 0.000000000000000 b 0.000000000000000 7.447926930000000 0.000000000000000 c -6.432618484994651 0.000000000000000 9.459942515401817 Atomic positions (fractional): 1 P 0.62954222015028 0.10819206442124 0.56486041772813 30.974 2 P 0.37045777984972 0.89180793557876 0.43513958227187 30.974 3 P 0.37045777984972 0.60819206442124 0.93513958227187 30.974 4 P 0.62954222015028 0.39180793557876 0.06486041772813 30.974 5 Ca 0.71639058400941 0.61353709370192 0.75330443345975 40.078 6 Ca 0.71639058400941 0.88646290629808 0.25330443345975 40.078 7 Ca 0.28360941599059 0.11353709370192 0.74669556654025 40.078 8 Ca 0.28360941599059 0.38646290629808 0.24669556654025 40.078 9 Se 0.89209396986519 0.98687253923957 0.77118420098686 78.960 10 Se 0.22209992978617 0.79225175336822 0.55170569367211 78.960 11 Se 0.77790007021383 0.29225175336822 0.94829430632789 78.960 12 Se 0.77790007021383 0.20774824663178 0.44829430632788 78.960 13 Se 0.39612807795120 0.18555226667028 0.06108516287171 78.960 14 Se 0.60387192204880 0.68555226667028 0.43891483712829 78.960 15 Se 0.60387192204880 0.81444773332972 0.93891483712829 78.960 16 Se 0.39612807795120 0.31444773332972 0.56108516287171 78.960 17 Se 0.10790603013481 0.48687253923957 0.72881579901314 78.960 18 Se 0.10790603013481 0.01312746076043 0.22881579901314 78.960 19 Se 0.89209396986519 0.51312746076043 0.27118420098686 78.960 20 Se 0.22209992978617 0.70774824663178 0.05170569367211 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.637462667945352 0.000000000000000 0.000000000000000 b 0.000000000000000 14.895853860000001 0.000000000000000 c -6.432618484994651 0.000000000000000 9.459942515401817 Atomic positions (fractional): 1 P 0.31477111007514 0.05409603221062 0.56486041772813 30.974 > 1 2 P 0.81477111007514 0.05409603221062 0.56486041772813 30.974 > 1 3 P 0.31477111007514 0.55409603221062 0.56486041772813 30.974 > 1 4 P 0.81477111007514 0.55409603221062 0.56486041772813 30.974 > 1 5 P 0.18522888992486 0.44590396778938 0.43513958227187 30.974 > 5 6 P 0.68522888992486 0.44590396778938 0.43513958227187 30.974 > 5 7 P 0.18522888992486 0.94590396778938 0.43513958227187 30.974 > 5 8 P 0.68522888992486 0.94590396778938 0.43513958227187 30.974 > 5 9 P 0.18522888992486 0.30409603221062 0.93513958227187 30.974 > 9 10 P 0.68522888992486 0.30409603221062 0.93513958227187 30.974 > 9 11 P 0.18522888992486 0.80409603221062 0.93513958227187 30.974 > 9 12 P 0.68522888992486 0.80409603221062 0.93513958227187 30.974 > 9 13 P 0.31477111007514 0.19590396778938 0.06486041772813 30.974 > 13 14 P 0.81477111007514 0.19590396778938 0.06486041772813 30.974 > 13 15 P 0.31477111007514 0.69590396778938 0.06486041772813 30.974 > 13 16 P 0.81477111007514 0.69590396778938 0.06486041772813 30.974 > 13 17 Ca 0.35819529200470 0.30676854685096 0.75330443345975 40.078 > 17 18 Ca 0.85819529200470 0.30676854685096 0.75330443345975 40.078 > 17 19 Ca 0.35819529200470 0.80676854685096 0.75330443345975 40.078 > 17 20 Ca 0.85819529200470 0.80676854685096 0.75330443345975 40.078 > 17 21 Ca 0.35819529200470 0.44323145314904 0.25330443345975 40.078 > 21 22 Ca 0.85819529200470 0.44323145314904 0.25330443345975 40.078 > 21 23 Ca 0.35819529200470 0.94323145314904 0.25330443345975 40.078 > 21 24 Ca 0.85819529200470 0.94323145314904 0.25330443345975 40.078 > 21 25 Ca 0.14180470799530 0.05676854685096 0.74669556654025 40.078 > 25 26 Ca 0.64180470799530 0.05676854685096 0.74669556654025 40.078 > 25 27 Ca 0.14180470799530 0.55676854685096 0.74669556654025 40.078 > 25 28 Ca 0.64180470799530 0.55676854685096 0.74669556654025 40.078 > 25 29 Ca 0.14180470799530 0.19323145314904 0.24669556654025 40.078 > 29 30 Ca 0.64180470799530 0.19323145314904 0.24669556654025 40.078 > 29 31 Ca 0.14180470799530 0.69323145314904 0.24669556654025 40.078 > 29 32 Ca 0.64180470799530 0.69323145314904 0.24669556654025 40.078 > 29 33 Se 0.44604698493260 0.49343626961978 0.77118420098686 78.960 > 33 34 Se 0.94604698493260 0.49343626961978 0.77118420098686 78.960 > 33 35 Se 0.44604698493260 0.99343626961978 0.77118420098686 78.960 > 33 36 Se 0.94604698493260 0.99343626961978 0.77118420098686 78.960 > 33 37 Se 0.11104996489309 0.39612587668411 0.55170569367211 78.960 > 37 38 Se 0.61104996489309 0.39612587668411 0.55170569367211 78.960 > 37 39 Se 0.11104996489309 0.89612587668411 0.55170569367211 78.960 > 37 40 Se 0.61104996489309 0.89612587668411 0.55170569367211 78.960 > 37 41 Se 0.38895003510691 0.14612587668411 0.94829430632789 78.960 > 41 42 Se 0.88895003510691 0.14612587668411 0.94829430632789 78.960 > 41 43 Se 0.38895003510691 0.64612587668411 0.94829430632789 78.960 > 41 44 Se 0.88895003510691 0.64612587668411 0.94829430632789 78.960 > 41 45 Se 0.38895003510691 0.10387412331589 0.44829430632788 78.960 > 45 46 Se 0.88895003510691 0.10387412331589 0.44829430632788 78.960 > 45 47 Se 0.38895003510691 0.60387412331589 0.44829430632788 78.960 > 45 48 Se 0.88895003510691 0.60387412331589 0.44829430632788 78.960 > 45 49 Se 0.19806403897560 0.09277613333514 0.06108516287171 78.960 > 49 50 Se 0.69806403897560 0.09277613333514 0.06108516287171 78.960 > 49 51 Se 0.19806403897560 0.59277613333514 0.06108516287171 78.960 > 49 52 Se 0.69806403897560 0.59277613333514 0.06108516287171 78.960 > 49 53 Se 0.30193596102440 0.34277613333514 0.43891483712829 78.960 > 53 54 Se 0.80193596102440 0.34277613333514 0.43891483712829 78.960 > 53 55 Se 0.30193596102440 0.84277613333514 0.43891483712829 78.960 > 53 56 Se 0.80193596102440 0.84277613333514 0.43891483712829 78.960 > 53 57 Se 0.30193596102440 0.40722386666486 0.93891483712829 78.960 > 57 58 Se 0.80193596102440 0.40722386666486 0.93891483712829 78.960 > 57 59 Se 0.30193596102440 0.90722386666486 0.93891483712829 78.960 > 57 60 Se 0.80193596102440 0.90722386666486 0.93891483712829 78.960 > 57 61 Se 0.19806403897560 0.15722386666486 0.56108516287171 78.960 > 61 62 Se 0.69806403897560 0.15722386666486 0.56108516287171 78.960 > 61 63 Se 0.19806403897560 0.65722386666486 0.56108516287171 78.960 > 61 64 Se 0.69806403897560 0.65722386666486 0.56108516287171 78.960 > 61 65 Se 0.05395301506740 0.24343626961978 0.72881579901314 78.960 > 65 66 Se 0.55395301506740 0.24343626961978 0.72881579901314 78.960 > 65 67 Se 0.05395301506740 0.74343626961978 0.72881579901314 78.960 > 65 68 Se 0.55395301506740 0.74343626961978 0.72881579901314 78.960 > 65 69 Se 0.05395301506740 0.00656373038022 0.22881579901314 78.960 > 69 70 Se 0.55395301506740 0.00656373038022 0.22881579901314 78.960 > 69 71 Se 0.05395301506740 0.50656373038022 0.22881579901314 78.960 > 69 72 Se 0.55395301506740 0.50656373038022 0.22881579901314 78.960 > 69 73 Se 0.44604698493260 0.25656373038022 0.27118420098686 78.960 > 73 74 Se 0.94604698493260 0.25656373038022 0.27118420098686 78.960 > 73 75 Se 0.44604698493260 0.75656373038022 0.27118420098686 78.960 > 73 76 Se 0.94604698493260 0.75656373038022 0.27118420098686 78.960 > 73 77 Se 0.11104996489309 0.35387412331589 0.05170569367211 78.960 > 77 78 Se 0.61104996489309 0.35387412331589 0.05170569367211 78.960 > 77 79 Se 0.11104996489309 0.85387412331589 0.05170569367211 78.960 > 77 80 Se 0.61104996489309 0.85387412331589 0.05170569367211 78.960 > 77 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.5331323 0.0000000 0.0246400 0.0000000 7.6385661 0.0000000 0.0246418 0.0000000 8.1567913 -------------------------- Born effective charges -------------------------- 1 P 1.9742282 -0.3112111 -0.2890656 -0.2132676 1.6707425 -0.3327604 0.1258032 -0.2121315 1.6525393 2 P 1.9742282 -0.3112111 -0.2890656 -0.2132676 1.6707425 -0.3327604 0.1258032 -0.2121315 1.6525393 3 P 1.9742282 0.3112111 -0.2890656 0.2132676 1.6707425 0.3327604 0.1258032 0.2121315 1.6525393 4 P 1.9742282 0.3112111 -0.2890656 0.2132676 1.6707425 0.3327604 0.1258032 0.2121315 1.6525393 5 Ca 2.5686141 -0.0559168 -0.1167253 0.3594243 2.5223077 -0.1048728 0.0770478 -0.5324833 2.5273820 6 Ca 2.5686141 0.0559168 -0.1167253 -0.3594243 2.5223077 0.1048728 0.0770478 0.5324833 2.5273820 7 Ca 2.5686141 0.0559168 -0.1167253 -0.3594243 2.5223077 0.1048728 0.0770478 0.5324833 2.5273820 8 Ca 2.5686141 -0.0559168 -0.1167253 0.3594243 2.5223077 -0.1048728 0.0770478 -0.5324833 2.5273820 9 Se -1.6131878 -0.0737928 0.1227405 -0.1428183 -1.2473769 -0.1133071 -0.1163743 0.1791572 -1.5036676 10 Se -1.5699967 0.2016118 0.0059770 0.0283159 -1.2842294 -0.1875221 -0.1602147 -0.5656672 -1.4548430 11 Se -1.5699967 -0.2016118 0.0059770 -0.0283159 -1.2842294 0.1875221 -0.1602147 0.5656672 -1.4548430 12 Se -1.5699967 0.2016118 0.0059770 0.0283159 -1.2842294 -0.1875221 -0.1602147 -0.5656672 -1.4548430 13 Se -1.3596578 -0.3760713 0.2770734 -0.2154449 -1.6614439 0.1526783 0.0737380 0.1157944 -1.2214107 14 Se -1.3596578 0.3760713 0.2770734 0.2154449 -1.6614439 -0.1526783 0.0737380 -0.1157944 -1.2214107 15 Se -1.3596578 -0.3760713 0.2770734 -0.2154449 -1.6614439 0.1526783 0.0737380 0.1157944 -1.2214107 16 Se -1.3596578 0.3760713 0.2770734 0.2154449 -1.6614439 -0.1526783 0.0737380 -0.1157944 -1.2214107 17 Se -1.6131878 0.0737928 0.1227405 0.1428183 -1.2473769 0.1133071 -0.1163743 -0.1791572 -1.5036676 18 Se -1.6131878 -0.0737928 0.1227405 -0.1428183 -1.2473769 -0.1133071 -0.1163743 0.1791572 -1.5036676 19 Se -1.6131878 0.0737928 0.1227405 0.1428183 -1.2473769 0.1133071 -0.1163743 -0.1791572 -1.5036676 20 Se -1.5699967 -0.2016118 0.0059770 -0.0283159 -1.2842294 0.1875221 -0.1602147 0.5656672 -1.4548430 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 7 5 ] 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: 0.53, Number of G-points: 307, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/92) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 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 1.491 ( 0.000 0.000 0.000) 0.000 1.650 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.198 ( 0.000 0.000 0.000) 0.000 2.312 ( 0.000 0.000 0.000) 0.000 2.324 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 2.963 ( 0.000 0.000 0.000) 0.000 3.036 ( 0.000 0.000 0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 4.003 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.331 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.939 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.555 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 5.807 ( 0.000 0.000 0.000) 0.000 6.364 ( 0.000 0.000 0.000) 0.000 6.374 ( 0.000 0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000 13.038 ( 0.000 0.000 0.000) 0.000 13.200 ( 0.000 0.000 0.000) 0.000 13.222 ( 0.000 0.000 0.000) 0.000 13.269 ( 0.000 0.000 0.000) 0.000 13.448 ( 0.000 0.000 0.000) 0.000 13.616 ( 0.000 0.000 0.000) 0.000 13.719 ( 0.000 0.000 0.000) 0.000 13.835 ( 0.000 0.000 0.000) 0.000 14.148 ( 0.000 0.000 0.000) 0.000 14.253 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/92) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 18.204 0.000 3.775) 18.592 0.381 ( 12.057 0.000 16.299) 20.274 0.743 ( 28.134 0.000 23.388) 36.586 1.507 ( 5.501 0.000 -5.595) 7.846 1.680 ( 0.815 0.000 4.321) 4.397 1.779 ( 1.402 0.000 -8.689) 8.801 1.982 ( -0.772 0.000 2.158) 2.292 2.018 ( 0.209 0.000 0.792) 0.819 2.088 ( -5.028 0.000 -4.961) 7.063 2.284 ( -4.171 0.000 -0.170) 4.174 2.356 ( 4.412 0.000 -4.213) 6.101 2.539 ( -4.251 0.000 1.547) 4.524 2.547 ( -7.450 0.000 1.878) 7.683 2.695 ( -3.752 0.000 0.157) 3.756 2.752 ( -1.171 0.000 -2.231) 2.520 2.834 ( -4.256 0.000 0.458) 4.281 2.910 ( -0.015 0.000 1.923) 1.923 3.020 ( -2.993 0.000 3.094) 4.305 3.057 ( 6.782 0.000 -8.675) 11.012 3.077 ( -1.404 0.000 1.865) 2.335 3.209 ( -0.287 0.000 2.839) 2.853 3.278 ( -5.685 0.000 0.864) 5.751 3.465 ( 1.897 0.000 2.151) 2.868 3.493 ( -1.281 0.000 -0.451) 1.358 3.670 ( 0.374 0.000 -0.021) 0.375 3.762 ( -2.771 0.000 -2.661) 3.842 3.800 ( 0.895 0.000 0.206) 0.919 3.869 ( 3.930 0.000 2.845) 4.851 3.942 ( 1.075 0.000 0.030) 1.075 3.992 ( 0.473 0.000 -2.394) 2.441 4.092 ( 1.503 0.000 0.171) 1.513 4.207 ( -14.076 0.000 23.245) 27.174 4.253 ( 3.038 0.000 2.163) 3.729 4.291 ( -2.241 0.000 -2.884) 3.652 4.490 ( 0.999 0.000 -0.555) 1.142 4.570 ( 0.616 0.000 2.636) 2.707 4.757 ( -0.662 0.000 -2.513) 2.598 4.792 ( 3.316 0.000 -4.517) 5.603 4.899 ( 9.822 0.000 -1.070) 9.880 4.972 ( 3.797 0.000 -0.180) 3.801 5.134 ( 0.730 0.000 -0.120) 0.740 5.548 ( -1.394 0.000 0.493) 1.478 5.556 ( 0.237 0.000 -0.027) 0.239 5.591 ( -1.248 0.000 -1.163) 1.706 5.792 ( -1.722 0.000 0.038) 1.722 5.816 ( 8.265 0.000 -14.561) 16.743 6.359 ( -0.668 0.000 0.225) 0.704 6.372 ( -0.594 0.000 0.436) 0.737 8.626 ( -2.262 0.000 6.476) 6.860 8.671 ( -1.055 0.000 -1.533) 1.861 13.146 ( 6.572 0.000 -11.185) 12.973 13.219 ( -0.008 0.000 0.158) 0.158 13.221 ( 3.148 0.000 -1.900) 3.677 13.311 ( 3.179 0.000 1.682) 3.596 13.442 ( -0.127 0.000 -0.560) 0.574 13.616 ( -0.053 0.000 0.078) 0.094 13.798 ( -2.971 0.000 -2.017) 3.591 13.824 ( -4.560 0.000 5.135) 6.867 14.153 ( 0.649 0.000 0.089) 0.655 14.253 ( -0.164 0.000 0.242) 0.293 ======================= Grid point 2 (3/92) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 18.368 0.000 4.874) 19.004 0.747 ( 11.408 0.000 14.847) 18.724 1.407 ( 23.558 0.000 18.698) 30.077 1.531 ( 7.200 0.000 -9.881) 12.226 1.698 ( -0.352 0.000 -6.870) 6.879 1.766 ( 1.662 0.000 6.763) 6.964 1.913 ( -2.747 0.000 -4.536) 5.303 1.994 ( -3.766 0.000 -0.102) 3.767 2.047 ( 1.130 0.000 -0.029) 1.130 2.225 ( -5.452 0.000 4.869) 7.310 2.340 ( -1.024 0.000 -4.472) 4.588 2.424 ( -6.959 0.000 -0.121) 6.960 2.468 ( -5.636 0.000 1.356) 5.797 2.603 ( -2.237 0.000 -3.013) 3.753 2.752 ( -5.177 0.000 -0.660) 5.219 2.780 ( 0.983 0.000 0.398) 1.061 2.893 ( -5.663 0.000 4.194) 7.046 3.003 ( 1.088 0.000 -4.670) 4.795 3.032 ( -0.118 0.000 2.380) 2.383 3.095 ( -0.736 0.000 -2.170) 2.291 3.192 ( -4.672 0.000 -0.253) 4.679 3.243 ( 2.473 0.000 0.511) 2.525 3.459 ( -2.599 0.000 0.499) 2.647 3.522 ( 2.094 0.000 1.418) 2.529 3.676 ( 0.447 0.000 -0.330) 0.556 3.684 ( -1.853 0.000 -4.841) 5.184 3.830 ( 1.798 0.000 1.566) 2.385 3.949 ( -1.994 0.000 2.412) 3.130 3.972 ( 2.683 0.000 -4.515) 5.252 3.974 ( 3.533 0.000 4.255) 5.531 4.141 ( 3.356 0.000 0.754) 3.439 4.194 ( -5.335 0.000 -1.824) 5.638 4.238 ( -2.915 0.000 7.331) 7.889 4.333 ( 5.673 0.000 -2.872) 6.359 4.511 ( 2.270 0.000 -0.292) 2.289 4.597 ( -2.568 0.000 4.305) 5.013 4.706 ( -0.744 0.000 -4.191) 4.257 4.800 ( 2.393 0.000 -2.551) 3.498 5.042 ( 4.787 0.000 -0.519) 4.815 5.077 ( 9.952 0.000 2.811) 10.341 5.166 ( 2.953 0.000 0.747) 3.046 5.514 ( -4.672 0.000 2.113) 5.128 5.553 ( -0.264 0.000 -2.842) 2.854 5.564 ( 1.400 0.000 -0.927) 1.679 5.757 ( -2.923 0.000 0.938) 3.070 5.776 ( 1.682 0.000 -7.449) 7.637 6.350 ( -0.984 0.000 0.571) 1.138 6.367 ( -0.763 0.000 0.858) 1.148 8.624 ( -1.835 0.000 -2.394) 3.016 8.673 ( 0.595 0.000 4.237) 4.279 13.132 ( 2.582 0.000 -4.715) 5.376 13.223 ( -0.380 0.000 0.572) 0.686 13.246 ( 2.497 0.000 -2.268) 3.373 13.388 ( 3.847 0.000 0.876) 3.945 13.445 ( 0.931 0.000 0.421) 1.022 13.619 ( 0.201 0.000 0.400) 0.448 13.706 ( -4.418 0.000 -2.893) 5.281 13.801 ( -4.028 0.000 3.453) 5.305 14.171 ( 1.179 0.000 0.394) 1.243 14.254 ( -0.097 0.000 0.358) 0.371 ======================= Grid point 3 (4/92) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 16.429 0.000 5.614) 17.361 1.062 ( 8.958 0.000 10.546) 13.837 1.498 ( 3.264 0.000 -11.059) 11.531 1.612 ( 0.013 0.000 -5.414) 5.414 1.811 ( 2.623 0.000 3.120) 4.077 1.856 ( -1.032 0.000 7.056) 7.131 1.956 ( 13.240 0.000 2.418) 13.459 1.961 ( -0.864 0.000 3.712) 3.811 2.062 ( 0.739 0.000 -0.401) 0.840 2.196 ( -4.922 0.000 4.831) 6.896 2.231 ( -6.775 0.000 1.484) 6.936 2.360 ( -0.124 0.000 -1.111) 1.118 2.406 ( -2.716 0.000 -0.571) 2.775 2.554 ( -0.465 0.000 -1.924) 1.979 2.677 ( -2.195 0.000 -0.908) 2.376 2.742 ( -2.720 0.000 -4.909) 5.613 2.841 ( -6.932 0.000 5.203) 8.667 3.004 ( -2.969 0.000 1.965) 3.561 3.040 ( -0.832 0.000 -0.011) 0.832 3.046 ( 3.390 0.000 -3.632) 4.968 3.132 ( -2.303 0.000 -0.346) 2.329 3.289 ( 3.902 0.000 -1.951) 4.362 3.424 ( -4.108 0.000 2.790) 4.966 3.553 ( 0.149 0.000 1.043) 1.054 3.597 ( -1.536 0.000 -5.474) 5.685 3.674 ( 0.351 0.000 -1.262) 1.310 3.892 ( 3.048 0.000 1.843) 3.562 3.921 ( -2.105 0.000 -0.094) 2.107 3.999 ( 3.922 0.000 -1.941) 4.376 4.067 ( 2.578 0.000 3.509) 4.354 4.086 ( -5.462 0.000 -1.060) 5.564 4.189 ( 0.077 0.000 1.856) 1.858 4.280 ( 1.886 0.000 1.631) 2.493 4.373 ( 5.716 0.000 -5.822) 8.159 4.556 ( 2.851 0.000 0.424) 2.883 4.577 ( -5.943 0.000 4.988) 7.759 4.647 ( -0.809 0.000 -4.176) 4.254 4.811 ( 2.138 0.000 -2.218) 3.081 5.106 ( 2.993 0.000 0.287) 3.007 5.238 ( 4.285 0.000 0.745) 4.349 5.259 ( 8.388 0.000 1.957) 8.613 5.455 ( -5.386 0.000 3.354) 6.345 5.523 ( 0.065 0.000 -2.242) 2.243 5.576 ( 2.183 0.000 -2.564) 3.367 5.705 ( -1.458 0.000 -5.561) 5.749 5.728 ( -2.794 0.000 2.537) 3.774 6.342 ( -0.878 0.000 0.714) 1.132 6.367 ( -0.505 0.000 0.953) 1.079 8.566 ( -1.853 0.000 -2.160) 2.846 8.730 ( 1.278 0.000 2.895) 3.164 13.126 ( 1.249 0.000 -1.985) 2.345 13.214 ( -0.975 0.000 0.151) 0.987 13.249 ( 1.230 0.000 -2.516) 2.801 13.446 ( 2.733 0.000 -0.154) 2.738 13.466 ( -0.132 0.000 0.151) 0.200 13.623 ( -1.790 0.000 -0.947) 2.026 13.631 ( 0.564 0.000 0.445) 0.718 13.773 ( -3.240 0.000 2.411) 4.039 14.198 ( 1.249 0.000 0.629) 1.398 14.257 ( 0.059 0.000 0.314) 0.319 ======================= Grid point 4 (5/92) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 2.460 0.000 1.492) 2.877 1.278 ( 6.149 0.000 2.589) 6.671 1.453 ( 1.337 0.000 -2.019) 2.421 1.629 ( 7.089 0.000 0.592) 7.113 1.821 ( -2.493 0.000 -2.603) 3.604 1.891 ( -0.877 0.000 2.801) 2.935 1.938 ( -5.097 0.000 -3.208) 6.023 2.009 ( 0.738 0.000 2.254) 2.372 2.067 ( -0.717 0.000 0.963) 1.201 2.176 ( -2.068 0.000 1.683) 2.667 2.304 ( 2.079 0.000 2.163) 3.000 2.391 ( 1.962 0.000 2.080) 2.859 2.395 ( 3.290 0.000 2.343) 4.039 2.541 ( 0.240 0.000 -0.215) 0.322 2.607 ( -4.472 0.000 -6.490) 7.882 2.670 ( 2.391 0.000 -1.338) 2.740 2.785 ( -5.658 0.000 3.719) 6.770 2.954 ( -1.807 0.000 -0.252) 1.825 3.014 ( -0.873 0.000 -0.992) 1.321 3.107 ( -0.598 0.000 -0.061) 0.601 3.115 ( 3.154 0.000 1.120) 3.347 3.325 ( 4.681 0.000 -4.066) 6.200 3.377 ( -6.161 0.000 4.045) 7.370 3.533 ( -0.304 0.000 -2.539) 2.557 3.558 ( -0.453 0.000 0.588) 0.742 3.663 ( 0.146 0.000 -0.994) 1.005 3.894 ( -0.544 0.000 -0.499) 0.739 3.950 ( 1.663 0.000 0.790) 1.842 4.005 ( -1.579 0.000 -1.345) 2.074 4.040 ( 0.902 0.000 0.456) 1.011 4.136 ( 2.338 0.000 1.671) 2.874 4.183 ( -2.008 0.000 0.389) 2.045 4.321 ( 1.279 0.000 0.324) 1.320 4.405 ( 4.440 0.000 -3.747) 5.810 4.530 ( -4.614 0.000 3.244) 5.640 4.595 ( -0.813 0.000 -1.899) 2.065 4.599 ( 1.344 0.000 0.474) 1.425 4.819 ( 1.014 0.000 -1.096) 1.493 5.142 ( 0.983 0.000 0.325) 1.035 5.299 ( 1.966 0.000 0.267) 1.984 5.345 ( 1.158 0.000 -0.948) 1.497 5.462 ( 0.696 0.000 3.983) 4.044 5.516 ( 1.040 0.000 1.157) 1.555 5.577 ( 0.927 0.000 -1.563) 1.817 5.608 ( -3.063 0.000 -5.034) 5.892 5.722 ( -1.015 0.000 1.527) 1.834 6.337 ( -0.364 0.000 0.335) 0.495 6.370 ( -0.155 0.000 0.427) 0.454 8.526 ( -0.800 0.000 -0.870) 1.182 8.770 ( 0.608 0.000 1.061) 1.223 13.127 ( 0.401 0.000 -0.433) 0.590 13.203 ( -0.403 0.000 0.011) 0.403 13.238 ( 0.292 0.000 -1.200) 1.235 13.429 ( -1.287 0.000 -0.962) 1.606 13.487 ( 1.150 0.000 0.235) 1.174 13.621 ( 0.429 0.000 0.423) 0.603 13.643 ( 0.375 0.000 0.127) 0.396 13.753 ( -1.339 0.000 0.926) 1.628 14.219 ( 0.552 0.000 0.324) 0.640 14.261 ( 0.062 0.000 0.127) 0.141 ======================= Grid point 9 (6/92) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 0.000 20.321 0.000) 20.321 0.465 ( 0.000 23.803 0.000) 23.803 0.686 ( 0.000 34.302 0.000) 34.302 1.522 ( 0.000 3.057 0.000) 3.057 1.683 ( 0.000 3.145 0.000) 3.145 1.810 ( 0.000 2.330 0.000) 2.330 1.907 ( 0.000 -4.955 0.000) 4.955 1.985 ( 0.000 -4.529 0.000) 4.529 2.135 ( 0.000 -4.094 0.000) 4.094 2.263 ( 0.000 -1.947 0.000) 1.947 2.375 ( 0.000 2.175 0.000) 2.175 2.549 ( 0.000 -1.552 0.000) 1.552 2.567 ( 0.000 -10.649 0.000) 10.649 2.591 ( 0.000 -6.005 0.000) 6.005 2.774 ( 0.000 -0.255 0.000) 0.255 2.838 ( 0.000 -1.459 0.000) 1.459 2.941 ( 0.000 -1.964 0.000) 1.964 2.981 ( 0.000 -2.296 0.000) 2.296 3.012 ( 0.000 -0.862 0.000) 0.862 3.041 ( 0.000 -1.103 0.000) 1.103 3.239 ( 0.000 3.970 0.000) 3.970 3.367 ( 0.000 3.656 0.000) 3.656 3.467 ( 0.000 3.987 0.000) 3.987 3.539 ( 0.000 2.825 0.000) 2.825 3.707 ( 0.000 2.995 0.000) 2.995 3.776 ( 0.000 -1.680 0.000) 1.680 3.785 ( 0.000 -1.887 0.000) 1.887 3.801 ( 0.000 0.804 0.000) 0.804 3.889 ( 0.000 -3.001 0.000) 3.001 3.904 ( 0.000 1.776 0.000) 1.776 4.077 ( 0.000 -2.004 0.000) 2.004 4.200 ( 0.000 -1.180 0.000) 1.180 4.233 ( 0.000 7.271 0.000) 7.271 4.353 ( 0.000 2.259 0.000) 2.259 4.466 ( 0.000 -1.670 0.000) 1.670 4.656 ( 0.000 2.649 0.000) 2.649 4.706 ( 0.000 -1.261 0.000) 1.261 4.750 ( 0.000 -1.028 0.000) 1.028 4.826 ( 0.000 1.182 0.000) 1.182 4.946 ( 0.000 0.532 0.000) 0.532 5.111 ( 0.000 -2.281 0.000) 2.281 5.253 ( 0.000 -5.804 0.000) 5.804 5.559 ( 0.000 0.052 0.000) 0.052 5.594 ( 0.000 -1.518 0.000) 1.518 5.629 ( 0.000 3.373 0.000) 3.373 6.279 ( 0.000 -4.036 0.000) 4.036 6.370 ( 0.000 0.651 0.000) 0.651 6.395 ( 0.000 1.359 0.000) 1.359 8.526 ( 0.000 1.247 0.000) 1.247 8.859 ( 0.000 -2.845 0.000) 2.845 13.040 ( 0.000 0.285 0.000) 0.285 13.169 ( 0.000 -2.424 0.000) 2.424 13.237 ( 0.000 1.425 0.000) 1.425 13.298 ( 0.000 1.632 0.000) 1.632 13.605 ( 0.000 1.215 0.000) 1.215 13.637 ( 0.000 1.749 0.000) 1.749 13.720 ( 0.000 0.075 0.000) 0.075 13.830 ( 0.000 -0.618 0.000) 0.618 14.163 ( 0.000 1.550 0.000) 1.550 14.253 ( 0.000 0.036 0.000) 0.036 ======================= Grid point 10 (7/92) ======================= q-point: ( 0.11 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 9.979 13.919 5.626) 18.027 0.576 ( 10.364 18.358 3.622) 21.390 0.996 ( 18.148 21.506 17.446) 33.110 1.533 ( 4.662 2.565 -5.195) 7.437 1.712 ( 0.919 3.085 3.789) 4.972 1.773 ( 0.539 -0.322 -7.012) 7.040 1.939 ( -0.312 -3.534 3.979) 5.331 1.986 ( -0.549 -5.620 -0.967) 5.729 2.063 ( -1.966 0.387 -3.211) 3.785 2.296 ( -0.297 -0.100 0.039) 0.316 2.330 ( -1.026 -1.249 -2.997) 3.405 2.497 ( -4.802 -3.530 0.239) 5.964 2.511 ( -6.975 -5.446 0.569) 8.867 2.612 ( 1.268 -9.040 0.504) 9.142 2.717 ( -4.050 1.186 -0.890) 4.313 2.847 ( 0.402 -2.952 -0.180) 2.985 2.913 ( -5.222 0.598 2.138) 5.674 2.939 ( -4.235 -2.431 -0.042) 4.884 3.026 ( 0.616 -5.398 0.556) 5.461 3.084 ( 4.494 0.021 -2.115) 4.967 3.237 ( -1.594 4.229 1.654) 4.813 3.330 ( -2.633 3.986 -0.806) 4.844 3.478 ( 0.362 1.956 1.276) 2.363 3.514 ( -2.838 1.136 1.340) 3.338 3.716 ( 0.602 3.676 -0.877) 3.827 3.754 ( -0.868 -0.870 -1.534) 1.965 3.804 ( 1.662 0.229 -0.319) 1.708 3.858 ( 3.618 -0.825 3.446) 5.064 3.933 ( 2.713 -0.364 0.565) 2.795 3.956 ( 2.607 -0.914 -1.083) 2.967 4.066 ( -2.465 -5.739 8.295) 10.384 4.211 ( 0.598 7.582 -1.241) 7.707 4.292 ( -2.312 0.689 4.837) 5.405 4.322 ( 1.060 1.093 -1.747) 2.318 4.477 ( 1.053 -0.864 0.381) 1.414 4.633 ( -1.149 4.834 1.768) 5.274 4.702 ( -0.197 -4.380 -3.140) 5.393 4.795 ( 3.645 0.396 -1.799) 4.084 4.890 ( 7.736 -0.384 1.108) 7.824 4.977 ( 3.765 0.462 -0.442) 3.819 5.114 ( 0.856 -2.157 -0.110) 2.323 5.365 ( 7.823 -12.651 1.024) 14.910 5.551 ( -0.551 -1.011 -1.354) 1.777 5.586 ( -0.972 -0.570 0.538) 1.248 5.624 ( -0.114 2.302 -0.589) 2.379 6.123 ( -6.570 5.697 -8.743) 12.332 6.367 ( -0.581 0.682 0.243) 0.928 6.382 ( -0.724 1.285 0.150) 1.482 8.572 ( 1.628 -0.739 3.535) 3.961 8.761 ( -5.279 2.080 -2.469) 6.188 13.089 ( 5.153 -2.416 -3.617) 6.743 13.186 ( 2.246 -2.335 -0.665) 3.308 13.248 ( 0.986 1.746 0.444) 2.054 13.327 ( 2.609 1.131 1.063) 3.036 13.515 ( -2.744 4.562 -3.555) 6.401 13.630 ( -0.001 1.414 -0.103) 1.418 13.778 ( -2.150 -2.293 5.157) 6.039 13.798 ( -2.249 -0.797 -1.954) 3.084 14.168 ( 0.533 1.511 0.168) 1.611 14.253 ( -0.182 0.070 0.297) 0.355 ======================= Grid point 11 (8/92) ======================= q-point: ( 0.22 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 12.109 8.287 7.501) 16.479 0.847 ( 12.979 10.157 8.714) 18.643 1.480 ( 16.059 5.182 6.640) 18.134 1.562 ( 8.613 4.159 -1.380) 9.664 1.697 ( -0.008 -0.118 -6.434) 6.435 1.793 ( 1.537 2.713 6.320) 7.047 1.898 ( -3.632 -1.241 -2.245) 4.446 1.990 ( 1.955 -4.530 0.118) 4.935 2.036 ( -1.211 3.303 -0.848) 3.619 2.222 ( -6.803 -0.865 2.537) 7.312 2.316 ( 0.240 -3.066 -2.534) 3.985 2.394 ( -5.517 -1.851 -1.278) 5.958 2.412 ( -5.947 -3.973 1.530) 7.314 2.618 ( -0.220 -1.983 -1.182) 2.319 2.690 ( 0.158 -4.467 1.301) 4.655 2.798 ( -4.673 0.728 -1.810) 5.064 2.860 ( -3.871 -2.613 1.722) 4.978 2.863 ( -3.886 -5.289 -0.121) 6.565 3.037 ( -0.962 -6.131 1.706) 6.436 3.100 ( -0.242 -0.179 -2.115) 2.136 3.220 ( -1.879 5.202 0.640) 5.568 3.290 ( 0.527 3.773 -2.725) 4.684 3.468 ( -2.041 0.889 1.405) 2.633 3.524 ( 0.773 -0.144 1.350) 1.562 3.683 ( -1.342 1.382 -2.860) 3.448 3.756 ( 1.487 4.858 -0.721) 5.132 3.843 ( 3.125 0.883 0.222) 3.254 3.937 ( 2.642 -1.302 -2.226) 3.692 3.960 ( 2.325 -0.920 3.967) 4.690 3.985 ( 0.360 2.023 0.818) 2.211 4.141 ( 0.002 -6.268 5.747) 8.504 4.195 ( -3.302 2.426 -2.013) 4.565 4.234 ( -0.644 5.457 0.036) 5.495 4.366 ( 2.966 -0.004 -1.915) 3.530 4.509 ( 2.212 -0.023 0.497) 2.267 4.646 ( -1.705 4.838 3.569) 6.249 4.651 ( -0.068 -4.359 -4.728) 6.431 4.822 ( 2.334 1.468 -1.521) 3.149 5.037 ( 4.173 -0.880 -0.371) 4.281 5.064 ( 9.241 -1.117 2.735) 9.702 5.150 ( 3.587 -1.553 0.361) 3.926 5.467 ( 3.613 -9.565 0.448) 10.235 5.507 ( -3.014 -1.878 -0.252) 3.560 5.576 ( 0.373 0.044 -1.656) 1.698 5.613 ( -0.567 0.479 -0.425) 0.855 5.957 ( -4.718 6.272 -5.108) 9.365 6.358 ( -0.933 0.810 0.464) 1.319 6.375 ( -0.820 0.823 0.690) 1.351 8.620 ( 0.039 -0.117 0.119) 0.171 8.687 ( -1.550 0.743 0.953) 1.966 13.113 ( 2.606 -1.101 -2.737) 3.936 13.212 ( 1.928 -1.590 -1.288) 2.812 13.270 ( 0.915 2.441 0.003) 2.607 13.391 ( 3.566 0.218 0.580) 3.619 13.465 ( -0.521 1.905 -0.773) 2.121 13.633 ( 0.099 1.386 0.592) 1.510 13.706 ( -4.137 -0.207 -3.110) 5.179 13.785 ( -3.139 -1.299 3.761) 5.068 14.184 ( 0.994 1.322 0.431) 1.709 14.254 ( -0.197 0.051 0.403) 0.452 ======================= Grid point 12 (9/92) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 10.739 3.232 7.225) 13.341 1.151 ( 11.914 7.235 7.877) 16.011 1.502 ( 3.459 0.517 -9.884) 10.484 1.627 ( 0.630 1.241 -4.688) 4.890 1.803 ( -2.939 -0.270 2.838) 4.094 1.869 ( 7.968 -2.859 0.165) 8.467 1.916 ( 3.077 0.910 6.960) 7.664 2.019 ( 1.234 2.908 -0.237) 3.168 2.025 ( -0.261 -1.631 2.702) 3.167 2.133 ( -6.678 -3.229 -0.110) 7.419 2.279 ( -1.851 -0.734 0.675) 2.102 2.305 ( -4.523 -2.480 1.250) 5.308 2.396 ( 2.230 0.593 1.180) 2.591 2.606 ( 0.382 1.733 -0.899) 1.989 2.670 ( -2.600 -0.841 -1.345) 3.045 2.720 ( -2.866 -1.586 -2.407) 4.065 2.817 ( -4.729 -1.232 2.853) 5.658 2.827 ( 0.254 -10.690 0.693) 10.716 3.020 ( -2.874 -7.929 -0.018) 8.434 3.054 ( -2.242 2.014 0.397) 3.040 3.195 ( -1.122 5.832 -0.580) 5.967 3.288 ( 3.156 1.237 -3.108) 4.599 3.461 ( -1.859 3.094 2.548) 4.418 3.540 ( 0.072 -1.195 0.111) 1.202 3.619 ( -1.756 2.023 -3.774) 4.629 3.767 ( 1.045 6.935 -1.122) 7.103 3.905 ( 3.354 0.874 0.789) 3.554 3.964 ( -0.983 3.351 -0.743) 3.570 3.976 ( 3.555 -1.652 -0.742) 3.990 4.031 ( -0.615 -1.866 1.691) 2.592 4.117 ( -1.897 1.760 0.446) 2.626 4.182 ( -0.862 -5.758 2.776) 6.450 4.240 ( 0.315 3.123 -0.522) 3.182 4.382 ( 3.705 -1.050 -4.184) 5.686 4.555 ( 2.245 0.077 0.883) 2.413 4.597 ( -1.791 -3.071 -1.817) 3.992 4.652 ( -1.144 6.075 1.459) 6.352 4.841 ( 2.242 2.291 -1.583) 3.575 5.086 ( 1.983 -2.036 0.554) 2.896 5.219 ( 5.426 -2.123 -0.343) 5.836 5.249 ( 7.570 -0.962 2.649) 8.077 5.436 ( -4.292 -1.550 0.970) 4.666 5.514 ( 0.733 -3.792 -0.986) 3.987 5.572 ( 0.524 -3.953 -1.081) 4.131 5.603 ( 1.027 2.536 -0.382) 2.762 5.843 ( -4.345 4.697 -2.526) 6.879 6.349 ( -0.891 0.689 0.523) 1.242 6.371 ( -0.598 0.465 0.780) 1.087 8.578 ( -1.850 1.091 -2.050) 2.969 8.720 ( 1.150 -1.005 2.543) 2.967 13.122 ( 1.316 -0.031 -1.196) 1.778 13.219 ( 0.726 -0.511 -1.009) 1.344 13.268 ( -0.229 2.601 -1.350) 2.939 13.442 ( 2.518 -0.336 -0.359) 2.566 13.466 ( -0.110 -0.016 -0.198) 0.227 13.621 ( -2.025 -0.395 -1.218) 2.396 13.646 ( 0.303 1.433 0.742) 1.642 13.772 ( -2.613 -0.080 2.584) 3.676 14.208 ( 1.133 1.027 0.612) 1.647 14.255 ( -0.119 -0.115 0.318) 0.358 ======================= Grid point 13 (10/92) ======================= q-point: ( 0.44 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 3.392 0.337 2.232) 4.075 1.352 ( 4.350 6.356 1.662) 7.879 1.467 ( 1.441 1.638 -2.033) 2.982 1.655 ( 7.034 2.338 0.828) 7.459 1.796 ( 0.062 -3.211 0.846) 3.321 1.880 ( -8.720 0.458 -2.463) 9.073 1.960 ( 3.931 -2.474 -1.375) 4.844 2.024 ( -2.448 1.080 2.793) 3.868 2.041 ( -2.715 -4.606 2.639) 5.962 2.057 ( 0.929 -1.767 -2.327) 3.066 2.255 ( -0.606 -4.874 -0.665) 4.956 2.352 ( 2.137 0.920 7.611) 7.959 2.448 ( 1.717 0.235 -3.384) 3.802 2.597 ( -1.302 0.031 -0.150) 1.310 2.632 ( -1.505 2.831 0.011) 3.206 2.649 ( 1.446 -0.750 -3.474) 3.837 2.770 ( -3.733 -0.384 2.047) 4.275 2.854 ( 0.828 -10.764 0.498) 10.808 2.979 ( -1.344 -7.744 0.232) 7.863 3.040 ( -0.812 2.612 0.715) 2.828 3.175 ( -0.435 5.571 -0.525) 5.612 3.320 ( 2.803 -0.151 -0.843) 2.931 3.450 ( -2.138 5.385 1.305) 5.939 3.533 ( 0.109 -0.491 -1.352) 1.443 3.559 ( -1.344 0.959 -1.100) 1.984 3.768 ( 0.315 7.626 -0.572) 7.654 3.937 ( -0.301 3.513 -0.272) 3.536 3.953 ( 0.969 -0.963 -0.682) 1.527 3.995 ( -0.211 0.183 -0.309) 0.416 4.031 ( 0.616 -0.420 0.940) 1.200 4.139 ( 2.479 -0.409 -0.265) 2.527 4.180 ( -2.683 -3.980 2.198) 5.279 4.238 ( 0.635 -0.863 -0.746) 1.305 4.393 ( 1.539 -1.681 -1.741) 2.868 4.556 ( -0.725 -2.694 -1.141) 3.014 4.592 ( 0.670 0.032 0.789) 1.036 4.648 ( -0.695 8.213 0.791) 8.280 4.857 ( 1.208 3.019 -0.833) 3.357 5.113 ( 0.589 -2.615 0.458) 2.719 5.273 ( 1.653 -2.796 -0.270) 3.259 5.352 ( 2.008 0.502 -0.926) 2.267 5.426 ( 1.426 -3.157 3.974) 5.272 5.492 ( -1.426 -2.753 -1.745) 3.558 5.550 ( -1.136 -1.501 -0.393) 1.923 5.642 ( 2.884 3.416 -0.603) 4.512 5.760 ( -3.182 2.578 -0.608) 4.140 6.342 ( -0.377 0.502 0.241) 0.673 6.371 ( -0.208 0.179 0.344) 0.440 8.538 ( -0.790 1.237 -0.834) 1.688 8.756 ( 0.553 -1.412 0.952) 1.791 13.129 ( 0.394 0.384 -0.208) 0.588 13.223 ( 0.613 0.523 0.128) 0.816 13.243 ( -0.674 1.866 -1.358) 2.404 13.433 ( -1.043 0.321 -0.964) 1.456 13.478 ( 1.005 -0.853 0.126) 1.324 13.611 ( 0.363 -1.126 0.164) 1.195 13.657 ( 0.078 1.414 0.426) 1.479 13.762 ( -0.995 0.747 0.953) 1.567 14.229 ( 0.579 0.925 0.337) 1.142 14.256 ( -0.089 -0.410 0.090) 0.429 ======================= Grid point 18 (11/92) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 0.000 19.566 0.000) 19.566 0.905 ( 0.000 21.783 0.000) 21.783 1.276 ( 0.000 25.429 0.000) 25.429 1.606 ( 0.000 5.441 0.000) 5.441 1.753 ( 0.000 3.771 0.000) 3.771 1.779 ( 0.000 -9.213 0.000) 9.213 1.834 ( 0.000 -7.979 0.000) 7.979 1.874 ( 0.000 4.094 0.000) 4.094 2.095 ( 0.000 -0.992 0.000) 0.992 2.239 ( 0.000 -2.272 0.000) 2.272 2.314 ( 0.000 -11.039 0.000) 11.039 2.364 ( 0.000 -12.000 0.000) 12.000 2.421 ( 0.000 0.699 0.000) 0.699 2.562 ( 0.000 0.214 0.000) 0.214 2.739 ( 0.000 -6.623 0.000) 6.623 2.771 ( 0.000 -6.564 0.000) 6.564 2.913 ( 0.000 -2.331 0.000) 2.331 2.920 ( 0.000 0.693 0.000) 0.693 2.971 ( 0.000 2.928 0.000) 2.928 3.158 ( 0.000 6.907 0.000) 6.907 3.302 ( 0.000 2.266 0.000) 2.266 3.401 ( 0.000 -0.814 0.000) 0.814 3.557 ( 0.000 3.614 0.000) 3.614 3.609 ( 0.000 5.004 0.000) 5.004 3.702 ( 0.000 -4.219 0.000) 4.219 3.729 ( 0.000 -0.840 0.000) 0.840 3.798 ( 0.000 1.878 0.000) 1.878 3.821 ( 0.000 1.049 0.000) 1.049 3.871 ( 0.000 1.294 0.000) 1.294 3.928 ( 0.000 0.428 0.000) 0.428 4.019 ( 0.000 -3.329 0.000) 3.329 4.157 ( 0.000 -3.256 0.000) 3.256 4.363 ( 0.000 5.201 0.000) 5.201 4.407 ( 0.000 2.726 0.000) 2.726 4.446 ( 0.000 0.541 0.000) 0.541 4.637 ( 0.000 -3.983 0.000) 3.983 4.726 ( 0.000 4.324 0.000) 4.324 4.784 ( 0.000 3.030 0.000) 3.030 4.846 ( 0.000 0.832 0.000) 0.832 4.962 ( 0.000 1.026 0.000) 1.026 5.032 ( 0.000 -6.102 0.000) 6.102 5.129 ( 0.000 -6.039 0.000) 6.039 5.546 ( 0.000 -1.302 0.000) 1.302 5.556 ( 0.000 -2.214 0.000) 2.214 5.727 ( 0.000 6.647 0.000) 6.647 6.178 ( 0.000 -6.434 0.000) 6.434 6.388 ( 0.000 1.061 0.000) 1.061 6.416 ( 0.000 0.680 0.000) 0.680 8.562 ( 0.000 2.493 0.000) 2.493 8.787 ( 0.000 -4.405 0.000) 4.405 13.049 ( 0.000 0.600 0.000) 0.600 13.123 ( 0.000 -2.185 0.000) 2.185 13.271 ( 0.000 1.891 0.000) 1.891 13.321 ( 0.000 0.692 0.000) 0.692 13.642 ( 0.000 2.392 0.000) 2.392 13.674 ( 0.000 2.014 0.000) 2.014 13.721 ( 0.000 -0.093 0.000) 0.093 13.807 ( 0.000 -1.784 0.000) 1.784 14.202 ( 0.000 2.266 0.000) 2.266 14.256 ( 0.000 0.265 0.000) 0.265 ======================= Grid point 19 (12/92) ======================= q-point: ( 0.11 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 5.280 17.055 0.599) 17.863 0.956 ( 4.843 19.944 2.029) 20.624 1.405 ( 8.123 16.929 6.713) 19.941 1.601 ( 2.388 4.619 -3.821) 6.452 1.739 ( 0.798 -4.660 -5.988) 7.630 1.772 ( 0.484 1.557 3.026) 3.437 1.857 ( 2.022 -3.668 1.356) 4.403 1.900 ( -1.221 0.337 3.809) 4.014 2.090 ( 1.736 1.524 -2.621) 3.494 2.225 ( -2.151 -7.930 -1.096) 8.290 2.314 ( -0.250 -4.410 1.051) 4.541 2.341 ( -2.573 -8.210 -0.735) 8.635 2.398 ( 0.066 -2.072 -2.328) 3.117 2.539 ( -3.823 -0.841 1.969) 4.381 2.672 ( -4.652 -5.115 0.515) 6.933 2.812 ( -2.455 -1.044 -0.632) 2.741 2.838 ( -1.596 -8.360 0.989) 8.568 2.938 ( -1.718 5.271 0.446) 5.562 2.966 ( -1.779 -2.386 0.789) 3.079 3.131 ( -1.252 5.206 -1.292) 5.508 3.304 ( -1.005 1.873 1.431) 2.562 3.393 ( 0.461 0.414 -2.826) 2.893 3.520 ( -4.315 1.213 3.155) 5.481 3.537 ( -3.706 2.838 -0.790) 4.735 3.735 ( 1.504 0.104 -1.759) 2.317 3.769 ( 4.613 -0.129 -2.847) 5.422 3.802 ( -1.066 0.305 3.007) 3.205 3.858 ( 2.479 0.884 2.995) 3.987 3.933 ( 5.000 0.194 2.246) 5.485 3.965 ( 2.722 1.783 -2.095) 3.870 3.991 ( -1.434 -2.642 3.755) 4.810 4.234 ( 3.902 -4.393 1.267) 6.011 4.347 ( -0.521 2.042 -3.438) 4.032 4.368 ( -1.168 5.319 -0.616) 5.480 4.479 ( 0.560 1.356 2.710) 3.081 4.616 ( 0.316 -3.574 -3.612) 5.091 4.731 ( -0.490 4.726 2.215) 5.242 4.820 ( 3.120 2.280 -1.087) 4.014 4.884 ( 4.680 -0.464 1.469) 4.927 4.987 ( 3.052 0.181 -0.852) 3.174 5.048 ( 2.321 -4.373 0.139) 4.953 5.170 ( 4.392 -8.058 0.577) 9.195 5.524 ( -0.837 -1.487 -1.812) 2.489 5.563 ( -0.077 -1.857 0.478) 1.919 5.713 ( -1.479 6.380 -0.064) 6.549 6.119 ( -3.998 -4.108 -3.631) 6.785 6.385 ( -0.451 1.098 0.192) 1.202 6.408 ( -0.651 1.037 -0.137) 1.232 8.584 ( 1.179 1.642 1.898) 2.773 8.748 ( -2.791 -2.485 -1.660) 4.089 13.071 ( 2.758 0.054 -0.886) 2.898 13.142 ( 2.110 -2.118 -0.105) 2.992 13.284 ( 1.285 1.887 0.456) 2.328 13.343 ( 2.094 0.385 0.540) 2.197 13.592 ( -2.901 3.656 -3.076) 5.590 13.664 ( -0.293 1.906 0.147) 1.934 13.745 ( -1.237 -1.168 3.976) 4.325 13.774 ( -2.347 -1.849 -2.383) 3.822 14.206 ( 0.272 2.208 0.334) 2.249 14.257 ( -0.182 0.316 0.401) 0.542 ======================= Grid point 20 (13/92) ======================= q-point: ( 0.22 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 7.422 11.034 5.386) 14.347 1.099 ( 7.918 14.529 4.371) 17.114 1.519 ( 4.133 -0.603 -5.609) 6.994 1.681 ( 6.901 2.331 -0.993) 7.352 1.689 ( 2.271 2.147 -3.323) 4.561 1.829 ( 0.117 -2.261 4.014) 4.608 1.885 ( -0.989 -0.149 1.076) 1.469 1.939 ( 1.812 3.300 4.347) 5.751 2.095 ( 2.573 2.108 -3.178) 4.601 2.152 ( -4.954 -6.545 0.551) 8.227 2.267 ( -2.793 -1.159 -2.301) 3.800 2.342 ( -1.693 -3.485 3.262) 5.065 2.369 ( 0.074 -0.541 -1.904) 1.981 2.522 ( 0.079 -4.748 1.925) 5.124 2.620 ( -3.322 -3.597 1.977) 5.280 2.726 ( -4.415 -4.330 -0.652) 6.218 2.816 ( -6.175 -3.351 0.155) 7.027 2.895 ( -1.983 -0.902 -0.546) 2.246 2.922 ( -2.626 1.926 0.066) 3.258 3.113 ( -0.791 2.373 0.058) 2.502 3.295 ( -2.103 1.096 1.989) 3.095 3.350 ( -0.646 0.847 -3.777) 3.924 3.498 ( -1.263 2.421 2.628) 3.790 3.523 ( 0.757 0.933 -0.459) 1.286 3.711 ( -0.447 1.422 -2.877) 3.240 3.818 ( 4.108 0.872 -1.095) 4.340 3.831 ( 1.224 -1.375 1.927) 2.665 3.935 ( 0.939 -1.382 3.049) 3.477 3.961 ( 2.034 2.636 -0.876) 3.443 4.025 ( 2.895 1.731 1.120) 3.554 4.054 ( 1.631 -1.943 3.181) 4.068 4.216 ( -4.006 -0.725 -2.055) 4.560 4.321 ( 0.091 -1.667 -2.832) 3.288 4.358 ( 1.698 4.650 -1.139) 5.080 4.519 ( 1.281 1.201 1.834) 2.539 4.580 ( -0.388 -2.322 -2.547) 3.469 4.754 ( 0.763 5.247 1.447) 5.496 4.852 ( 2.406 2.054 -0.933) 3.299 4.985 ( 3.058 -4.453 1.246) 5.544 5.055 ( 6.881 0.322 1.244) 7.000 5.114 ( 5.519 -2.049 -0.566) 5.914 5.269 ( 5.857 -9.294 1.218) 11.053 5.483 ( -2.067 -0.773 -1.258) 2.541 5.561 ( 0.229 -1.634 -0.889) 1.874 5.685 ( -1.809 5.716 0.330) 6.005 6.001 ( -4.842 -1.212 -3.639) 6.177 6.377 ( -0.790 1.105 0.286) 1.388 6.395 ( -0.926 1.046 0.133) 1.404 8.625 ( 0.748 0.611 1.079) 1.448 8.688 ( -1.999 -0.665 -0.709) 2.223 13.105 ( 2.602 0.304 -0.988) 2.800 13.177 ( 2.399 -1.776 -0.688) 3.063 13.317 ( 1.692 2.234 0.614) 2.869 13.392 ( 3.120 -0.234 0.183) 3.134 13.512 ( -2.585 2.913 -2.476) 4.615 13.667 ( -0.339 1.984 1.314) 2.404 13.688 ( -3.841 -1.798 -3.314) 5.382 13.761 ( -1.919 -1.227 3.678) 4.326 14.217 ( 0.508 1.920 0.482) 2.044 14.258 ( -0.332 0.365 0.507) 0.708 ======================= Grid point 21 (14/92) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 5.838 5.467 5.162) 9.519 1.294 ( 8.315 5.995 5.623) 11.692 1.523 ( 4.418 2.359 -5.307) 7.297 1.641 ( 0.831 -0.472 -3.330) 3.465 1.749 ( -0.236 -4.226 -4.289) 6.026 1.826 ( 0.479 -0.114 1.977) 2.037 1.935 ( 1.108 -2.227 2.628) 3.619 2.006 ( 0.780 2.782 3.451) 4.501 2.083 ( -2.999 -1.209 0.854) 3.345 2.114 ( -0.222 3.426 -0.692) 3.502 2.200 ( -0.991 -2.172 -3.875) 4.552 2.317 ( -2.656 -0.481 3.975) 4.805 2.414 ( 3.753 1.139 0.319) 3.935 2.557 ( 1.180 -6.039 -0.354) 6.163 2.605 ( -1.612 -4.023 2.215) 4.867 2.667 ( -3.007 -5.074 1.722) 6.144 2.691 ( -5.614 -2.374 -1.085) 6.191 2.844 ( -2.749 -8.209 -3.177) 9.222 2.891 ( -1.777 7.559 0.921) 7.820 3.102 ( -1.164 2.992 1.190) 3.424 3.288 ( -1.028 1.661 1.556) 2.498 3.323 ( 0.618 2.021 0.075) 2.115 3.512 ( 0.086 1.579 -0.797) 1.771 3.528 ( 0.536 1.395 0.351) 1.535 3.663 ( -1.349 2.277 -3.244) 4.186 3.868 ( 2.181 3.035 0.161) 3.741 3.874 ( 2.317 -4.027 -0.394) 4.662 3.962 ( 1.569 -0.649 0.927) 1.935 3.985 ( 0.056 -0.264 -0.721) 0.769 4.056 ( -1.082 2.495 1.979) 3.364 4.086 ( 0.897 -2.270 -1.646) 2.944 4.143 ( -1.710 0.281 -0.515) 1.807 4.286 ( 0.091 0.708 -1.529) 1.688 4.380 ( 1.515 2.859 -0.839) 3.343 4.540 ( -0.458 -1.816 -1.662) 2.504 4.562 ( 0.619 0.024 1.063) 1.231 4.783 ( 0.649 5.805 1.452) 6.019 4.877 ( 2.279 1.202 -1.486) 2.974 5.032 ( 1.105 -2.953 2.565) 4.064 5.166 ( 5.652 -2.812 -2.813) 6.911 5.227 ( 6.771 -1.263 3.076) 7.543 5.360 ( 3.321 -6.640 0.325) 7.431 5.439 ( -2.053 -0.278 0.278) 2.090 5.552 ( 0.352 -1.075 -1.478) 1.861 5.673 ( -0.150 4.685 0.896) 4.772 5.889 ( -4.616 0.165 -2.509) 5.256 6.365 ( -0.886 0.995 0.152) 1.341 6.383 ( -0.782 0.651 0.283) 1.056 8.604 ( -1.534 1.494 -1.553) 2.645 8.695 ( 0.753 -1.546 1.657) 2.388 13.131 ( 1.504 0.929 -0.419) 1.817 13.200 ( 1.568 -1.134 -0.858) 2.117 13.334 ( -0.046 3.752 -0.709) 3.819 13.435 ( 2.307 -0.362 -0.787) 2.464 13.467 ( -0.690 0.305 -0.935) 1.201 13.599 ( -2.701 -1.977 -1.638) 3.726 13.680 ( -0.086 1.989 1.467) 2.473 13.768 ( -1.480 -0.516 2.654) 3.083 14.232 ( 0.655 1.341 0.475) 1.566 14.257 ( -0.334 0.356 0.388) 0.623 ======================= Grid point 22 (15/92) ======================= q-point: ( 0.44 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 1.776 0.412 0.855) 2.014 1.453 ( 4.648 1.011 2.405) 5.330 1.527 ( -0.502 4.415 -0.882) 4.530 1.648 ( 1.309 -4.319 -0.037) 4.513 1.748 ( 4.699 1.868 0.097) 5.058 1.836 ( 1.623 -3.218 -2.683) 4.493 1.901 ( -7.758 -0.639 1.444) 7.917 2.048 ( 1.821 3.161 -0.185) 3.652 2.058 ( -0.052 0.851 0.168) 0.869 2.083 ( -3.500 3.467 1.475) 5.142 2.178 ( 1.951 -2.732 -2.122) 3.972 2.361 ( 0.949 -0.336 5.662) 5.750 2.441 ( 0.510 -0.202 -3.795) 3.835 2.526 ( -2.138 -5.178 -0.568) 5.630 2.603 ( -0.114 -3.911 -0.184) 3.917 2.630 ( -0.665 -4.711 0.314) 4.769 2.683 ( -1.030 -4.853 2.738) 5.667 2.775 ( -0.219 -9.235 -2.940) 9.694 2.871 ( -1.330 8.178 0.401) 8.295 3.098 ( -0.493 2.162 0.377) 2.249 3.310 ( 0.368 3.800 2.378) 4.497 3.358 ( 1.460 5.824 1.657) 6.229 3.482 ( -1.018 -1.059 -1.871) 2.378 3.537 ( 0.496 1.209 -0.980) 1.633 3.606 ( -1.525 3.171 -1.385) 3.781 3.878 ( 0.409 -1.796 -1.200) 2.198 3.894 ( 0.200 0.804 0.421) 0.930 3.971 ( 0.294 -0.642 -0.643) 0.955 3.999 ( 0.417 -1.299 0.362) 1.412 4.045 ( -0.540 -2.424 0.695) 2.579 4.076 ( 0.685 0.713 -1.354) 1.676 4.136 ( -0.146 0.117 0.303) 0.356 4.296 ( 0.831 4.345 0.448) 4.447 4.382 ( -0.095 1.680 -0.497) 1.754 4.514 ( -0.296 -1.814 -1.144) 2.165 4.581 ( 0.135 -0.988 0.694) 1.215 4.804 ( 0.291 6.524 0.767) 6.575 4.891 ( 1.025 -0.489 -0.881) 1.438 5.076 ( 0.617 -0.260 1.904) 2.018 5.193 ( 1.371 -4.875 -1.899) 5.409 5.353 ( 5.136 -1.015 0.714) 5.284 5.379 ( -0.317 -1.346 1.045) 1.733 5.421 ( -1.666 -2.632 -0.100) 3.116 5.544 ( 0.095 -0.517 -0.633) 0.823 5.707 ( 2.574 3.169 1.212) 4.259 5.795 ( -3.949 0.889 -1.647) 4.370 6.355 ( -0.400 0.817 0.048) 0.911 6.376 ( -0.310 0.290 0.129) 0.443 8.571 ( -0.665 2.138 -0.664) 2.335 8.719 ( 0.367 -2.349 0.638) 2.462 13.144 ( 0.386 1.133 -0.052) 1.198 13.214 ( 0.775 -0.824 -0.225) 1.153 13.312 ( -0.647 4.534 -0.868) 4.661 13.439 ( -0.518 0.196 -0.915) 1.070 13.461 ( 0.669 -0.760 -0.124) 1.020 13.575 ( -0.066 -2.719 0.097) 2.722 13.692 ( -0.075 2.034 0.675) 2.144 13.772 ( -0.502 0.060 0.971) 1.095 14.247 ( 0.522 0.635 0.255) 0.860 14.255 ( -0.336 0.523 0.100) 0.629 ======================= Grid point 27 (16/92) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 17.853 0.000) 17.853 1.290 ( 0.000 18.051 0.000) 18.051 1.437 ( 0.000 -11.180 0.000) 11.180 1.579 ( 0.000 -11.720 0.000) 11.720 1.733 ( 0.000 8.368 0.000) 8.368 1.817 ( 0.000 1.626 0.000) 1.626 1.850 ( 0.000 10.469 0.000) 10.469 1.938 ( 0.000 2.114 0.000) 2.114 2.030 ( 0.000 -6.549 0.000) 6.549 2.052 ( 0.000 -10.808 0.000) 10.808 2.222 ( 0.000 -1.218 0.000) 1.218 2.243 ( 0.000 -1.704 0.000) 1.704 2.460 ( 0.000 3.697 0.000) 3.697 2.559 ( 0.000 -2.971 0.000) 2.971 2.597 ( 0.000 -3.777 0.000) 3.777 2.641 ( 0.000 -5.384 0.000) 5.384 2.901 ( 0.000 0.129 0.000) 0.129 2.908 ( 0.000 -0.636 0.000) 0.636 3.115 ( 0.000 9.929 0.000) 9.929 3.262 ( 0.000 2.126 0.000) 2.126 3.318 ( 0.000 -6.329 0.000) 6.329 3.320 ( 0.000 -0.474 0.000) 0.474 3.601 ( 0.000 1.685 0.000) 1.685 3.636 ( 0.000 -2.320 0.000) 2.320 3.692 ( 0.000 2.597 0.000) 2.597 3.715 ( 0.000 -0.470 0.000) 0.470 3.828 ( 0.000 1.502 0.000) 1.502 3.853 ( 0.000 1.304 0.000) 1.304 3.882 ( 0.000 -0.462 0.000) 0.462 3.916 ( 0.000 -1.752 0.000) 1.752 4.005 ( 0.000 2.848 0.000) 2.848 4.082 ( 0.000 -4.324 0.000) 4.324 4.410 ( 0.000 1.114 0.000) 1.114 4.430 ( 0.000 -0.483 0.000) 0.483 4.513 ( 0.000 4.987 0.000) 4.987 4.584 ( 0.000 -2.118 0.000) 2.118 4.780 ( 0.000 0.803 0.000) 0.803 4.807 ( 0.000 -1.809 0.000) 1.809 4.891 ( 0.000 4.217 0.000) 4.217 4.938 ( 0.000 -1.541 0.000) 1.541 4.976 ( 0.000 0.450 0.000) 0.450 5.025 ( 0.000 -4.909 0.000) 4.909 5.521 ( 0.000 -0.940 0.000) 0.940 5.521 ( 0.000 -1.062 0.000) 1.062 5.874 ( 0.000 8.392 0.000) 8.392 6.036 ( 0.000 -8.212 0.000) 8.212 6.408 ( 0.000 0.941 0.000) 0.941 6.420 ( 0.000 -0.254 0.000) 0.254 8.621 ( 0.000 3.651 0.000) 3.651 8.700 ( 0.000 -4.473 0.000) 4.473 13.064 ( 0.000 0.985 0.000) 0.985 13.088 ( 0.000 -1.544 0.000) 1.544 13.304 ( 0.000 1.442 0.000) 1.442 13.323 ( 0.000 -0.482 0.000) 0.482 13.687 ( 0.000 2.042 0.000) 2.042 13.714 ( 0.000 -0.765 0.000) 0.765 13.714 ( 0.000 2.319 0.000) 2.319 13.763 ( 0.000 -2.633 0.000) 2.633 14.241 ( 0.000 1.564 0.000) 1.564 14.258 ( 0.000 -0.264 0.000) 0.264 ======================= Grid point 28 (17/92) ======================= q-point: ( 0.11 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 1.549 16.028 -1.112) 16.141 1.304 ( -0.665 13.293 2.689) 13.578 1.440 ( 3.548 -7.497 -3.753) 9.104 1.602 ( 2.341 -10.596 0.011) 10.851 1.735 ( 2.689 7.197 -2.625) 8.119 1.799 ( -0.459 3.065 -1.693) 3.532 1.871 ( 0.880 1.705 0.095) 1.921 1.975 ( 3.760 6.809 1.603) 7.941 2.013 ( -2.482 -11.041 0.689) 11.338 2.089 ( 3.845 -4.066 -0.772) 5.649 2.220 ( -0.188 1.160 2.037) 2.352 2.280 ( 0.612 -2.754 3.035) 4.143 2.414 ( -2.390 2.446 -2.180) 4.056 2.491 ( -4.995 -4.730 -1.143) 6.974 2.613 ( -0.624 0.723 2.550) 2.723 2.684 ( 0.863 -6.271 1.770) 6.573 2.832 ( -5.809 2.364 -0.183) 6.274 2.892 ( -3.804 -3.723 1.049) 5.425 3.104 ( -1.063 10.090 -0.442) 10.156 3.235 ( -2.116 4.828 -1.501) 5.480 3.285 ( -2.000 -5.752 -1.243) 6.216 3.319 ( -0.260 -4.869 -0.773) 4.937 3.559 ( -3.707 2.065 2.049) 4.712 3.576 ( -3.450 0.568 0.678) 3.561 3.741 ( 2.900 0.149 -2.272) 3.687 3.749 ( 3.119 -0.916 -1.408) 3.542 3.831 ( -1.059 2.573 2.489) 3.733 3.872 ( 0.061 -0.434 3.022) 3.053 3.925 ( 2.817 -0.073 2.453) 3.737 3.952 ( 3.133 -1.718 2.126) 4.158 4.029 ( 3.731 4.599 -1.302) 6.064 4.130 ( 3.547 -5.720 0.203) 6.733 4.382 ( 0.533 2.058 -4.862) 5.307 4.417 ( 0.739 -0.749 -3.310) 3.473 4.532 ( -0.543 3.800 3.365) 5.105 4.580 ( -1.103 -0.962 1.091) 1.825 4.784 ( 0.527 1.148 0.501) 1.359 4.829 ( 2.327 -3.475 -0.510) 4.213 4.908 ( 2.292 4.765 -0.125) 5.289 4.969 ( 2.957 -0.738 1.379) 3.345 5.007 ( 4.397 -0.388 -1.244) 4.586 5.046 ( 2.885 -5.036 -0.083) 5.804 5.507 ( -0.525 -0.083 -0.988) 1.122 5.524 ( -0.119 -1.779 0.019) 1.784 5.854 ( -1.870 7.972 -0.523) 8.205 6.004 ( -2.568 -7.301 -1.525) 7.888 6.405 ( -0.366 0.961 0.111) 1.034 6.417 ( -0.396 -0.143 -0.002) 0.421 8.628 ( 0.316 2.819 0.736) 2.931 8.689 ( -0.917 -3.359 -0.424) 3.508 13.082 ( 2.123 0.982 -0.154) 2.344 13.106 ( 2.086 -1.577 0.029) 2.616 13.317 ( 1.462 1.532 0.264) 2.134 13.340 ( 1.738 -0.708 0.266) 1.895 13.659 ( -2.188 3.375 -2.825) 4.915 13.696 ( -0.296 1.128 -0.040) 1.167 13.724 ( -1.864 -1.508 2.085) 3.177 13.730 ( -2.434 -2.045 -0.746) 3.266 14.244 ( 0.033 1.507 0.446) 1.572 14.260 ( -0.118 -0.208 0.468) 0.525 ======================= Grid point 29 (18/92) ======================= q-point: ( 0.22 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 2.871 10.862 1.398) 11.321 1.310 ( -1.111 1.978 1.341) 2.635 1.496 ( 6.406 2.985 -0.842) 7.118 1.633 ( 1.722 -6.033 -1.602) 6.476 1.758 ( 2.446 2.009 -6.456) 7.190 1.770 ( 2.248 0.104 -0.592) 2.327 1.887 ( 0.708 0.746 0.683) 1.235 1.972 ( -2.743 -7.324 1.421) 7.949 2.068 ( 3.797 4.653 2.086) 6.358 2.137 ( 2.834 -0.285 -1.087) 3.049 2.243 ( -0.669 0.439 1.323) 1.546 2.289 ( -2.782 -2.346 1.008) 3.776 2.385 ( 1.691 1.715 -0.479) 2.455 2.439 ( 0.151 -3.991 0.262) 4.002 2.600 ( -4.450 1.705 2.549) 5.404 2.659 ( -5.463 -3.619 1.449) 6.711 2.761 ( -3.778 0.227 0.634) 3.837 2.814 ( -5.294 -4.148 -1.147) 6.822 3.077 ( -1.393 9.450 -0.169) 9.554 3.186 ( -1.969 3.851 -0.461) 4.350 3.249 ( -1.505 -4.904 1.011) 5.228 3.298 ( -1.221 -5.008 0.112) 5.156 3.550 ( 0.189 2.255 0.573) 2.334 3.559 ( 0.121 1.419 0.197) 1.438 3.737 ( 0.639 1.426 -2.557) 2.997 3.776 ( 1.876 -2.654 -1.258) 3.485 3.855 ( 0.722 2.258 2.571) 3.497 3.903 ( -0.290 -2.243 3.100) 3.837 3.991 ( 1.606 1.551 1.015) 2.452 4.032 ( 2.295 -1.767 1.713) 3.365 4.077 ( 3.265 3.393 -0.924) 4.799 4.151 ( -0.290 -4.378 -1.188) 4.546 4.340 ( 1.864 3.347 -5.375) 6.600 4.398 ( 2.092 -1.399 -3.204) 4.074 4.554 ( -1.346 2.202 2.897) 3.880 4.571 ( -2.036 0.491 1.616) 2.645 4.805 ( 0.993 1.026 0.648) 1.568 4.855 ( 1.521 -4.047 -0.829) 4.402 4.962 ( 3.996 4.750 0.432) 6.223 5.058 ( 5.111 -4.115 -0.490) 6.580 5.077 ( 6.552 1.827 0.339) 6.811 5.134 ( 6.553 -4.490 1.477) 8.080 5.484 ( -0.845 1.043 -0.909) 1.621 5.520 ( -0.038 -2.376 -0.525) 2.433 5.810 ( -2.577 6.880 -0.391) 7.357 5.932 ( -3.642 -5.409 -1.760) 6.754 6.397 ( -0.746 0.876 0.048) 1.152 6.406 ( -0.822 0.038 -0.086) 0.827 8.642 ( 0.181 1.161 0.567) 1.305 8.667 ( -0.949 -1.330 -0.336) 1.668 13.120 ( 2.636 1.146 -0.285) 2.889 13.146 ( 2.604 -1.491 -0.273) 3.013 13.354 ( 2.350 1.629 0.480) 2.900 13.380 ( 2.744 -1.017 0.148) 2.930 13.574 ( -3.516 3.477 -3.243) 5.913 13.639 ( -3.692 -3.109 -3.375) 5.889 13.704 ( -0.906 1.832 2.258) 3.045 13.736 ( -1.285 -1.452 3.043) 3.608 14.250 ( 0.004 1.283 0.528) 1.388 14.262 ( -0.283 -0.079 0.561) 0.633 ======================= Grid point 30 (19/92) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 1.492 5.026 1.892) 5.574 1.321 ( 1.159 -2.639 1.299) 3.161 1.596 ( 3.817 2.717 1.271) 4.854 1.615 ( -0.247 -0.794 -2.561) 2.693 1.736 ( 4.687 3.039 -4.890) 7.424 1.805 ( 2.768 -2.375 -2.068) 4.193 1.913 ( -0.920 0.910 3.577) 3.804 1.976 ( -1.409 -4.648 5.240) 7.145 2.121 ( 0.287 3.109 0.307) 3.138 2.145 ( 2.518 0.547 -4.147) 4.883 2.218 ( -1.496 2.437 -1.302) 3.142 2.275 ( 1.137 -3.316 0.715) 3.577 2.431 ( 2.070 0.469 0.520) 2.185 2.457 ( 0.046 -3.202 0.623) 3.263 2.559 ( -3.878 -0.236 3.509) 5.236 2.593 ( -5.763 -3.146 4.040) 7.709 2.669 ( -4.138 0.772 -3.315) 5.358 2.720 ( -2.381 -4.471 -4.695) 6.906 3.057 ( -1.264 8.402 -0.051) 8.497 3.152 ( -1.854 0.327 -0.659) 1.994 3.275 ( 0.540 -0.889 4.684) 4.798 3.311 ( 0.369 -2.884 4.365) 5.245 3.554 ( 0.792 2.258 -2.093) 3.180 3.565 ( 0.523 1.231 -0.509) 1.431 3.708 ( -0.394 2.720 -3.103) 4.145 3.780 ( 0.713 -4.828 -1.953) 5.257 3.907 ( 1.993 1.573 2.102) 3.296 3.938 ( 0.820 -1.504 2.450) 2.989 3.983 ( -1.023 0.516 -2.056) 2.354 4.022 ( -2.281 -3.304 -2.333) 4.644 4.113 ( 1.592 2.253 -0.048) 2.760 4.142 ( 0.767 -0.565 -0.430) 1.045 4.341 ( 3.482 4.823 -2.236) 6.355 4.416 ( 2.394 -1.431 -1.065) 2.986 4.534 ( -3.111 1.772 0.929) 3.699 4.562 ( -1.613 -0.437 1.688) 2.375 4.827 ( 0.603 0.187 0.900) 1.099 4.861 ( 0.428 -3.087 -0.719) 3.198 5.039 ( 3.774 3.821 1.403) 5.550 5.112 ( 4.186 -3.238 -2.580) 5.887 5.216 ( 6.891 0.785 2.550) 7.389 5.260 ( 6.109 -3.628 1.457) 7.253 5.461 ( -1.058 2.225 -0.547) 2.523 5.513 ( 0.071 -2.796 -0.735) 2.892 5.771 ( -1.803 5.135 0.097) 5.443 5.856 ( -3.486 -3.388 -1.314) 5.035 6.383 ( -0.868 0.749 -0.117) 1.152 6.391 ( -0.863 0.021 -0.117) 0.871 8.633 ( -0.783 1.575 -0.623) 1.866 8.664 ( 0.077 -1.639 0.525) 1.723 13.154 ( 1.694 1.302 -0.231) 2.149 13.178 ( 1.772 -1.194 -0.438) 2.181 13.395 ( 2.008 2.346 -0.052) 3.088 13.424 ( 2.613 -0.908 -0.534) 2.817 13.489 ( -2.833 2.315 -2.020) 4.179 13.547 ( -3.287 -3.210 -1.991) 5.007 13.718 ( -0.453 1.876 2.054) 2.818 13.750 ( -0.805 -1.342 2.448) 2.906 14.255 ( 0.028 0.906 0.375) 0.981 14.263 ( -0.254 0.051 0.421) 0.494 ======================= Grid point 31 (20/92) ======================= q-point: ( 0.44 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.082 2.791 -0.034) 2.793 1.357 ( 0.677 -7.253 0.939) 7.345 1.592 ( 0.134 3.275 -0.680) 3.347 1.637 ( 0.710 -0.598 0.315) 0.980 1.806 ( 4.468 2.018 -0.704) 4.953 1.818 ( 3.459 0.386 -2.665) 4.384 1.904 ( -5.078 3.394 3.595) 7.087 2.017 ( -1.046 -5.642 3.880) 6.926 2.113 ( 1.759 2.659 -2.280) 3.920 2.132 ( -0.309 0.719 -1.542) 1.729 2.200 ( 0.305 5.598 -0.783) 5.661 2.326 ( 2.903 -5.213 1.968) 6.283 2.429 ( -1.919 -0.641 -2.252) 3.027 2.447 ( -0.598 -1.479 0.324) 1.628 2.535 ( -2.743 -1.593 1.819) 3.657 2.549 ( -3.062 -2.810 1.897) 4.569 2.626 ( -0.019 -1.175 0.390) 1.239 2.651 ( 0.875 -3.738 -4.218) 5.703 3.034 ( -0.937 7.388 -0.216) 7.451 3.117 ( -1.041 -0.985 -0.604) 1.555 3.346 ( 0.968 1.652 4.036) 4.467 3.389 ( 1.457 -2.447 4.828) 5.605 3.526 ( -0.371 3.899 -3.016) 4.943 3.556 ( 0.110 0.413 -1.832) 1.881 3.665 ( -0.786 3.312 -1.720) 3.814 3.758 ( -0.344 -6.558 -1.557) 6.749 3.947 ( 0.518 1.766 0.518) 1.911 3.950 ( -0.286 -0.491 -0.655) 0.867 3.961 ( -0.738 -1.831 -0.918) 2.177 3.983 ( 0.854 -2.122 0.616) 2.369 4.127 ( 0.286 2.283 0.090) 2.303 4.149 ( 0.271 0.143 -0.105) 0.323 4.384 ( 2.872 4.485 -0.703) 5.372 4.434 ( 0.273 0.813 -0.033) 0.859 4.495 ( -1.696 1.523 -0.027) 2.279 4.552 ( -1.101 -2.352 0.786) 2.713 4.844 ( 0.473 -1.269 0.574) 1.471 4.856 ( -0.245 -2.118 -0.337) 2.159 5.103 ( 1.555 2.244 1.762) 3.250 5.133 ( 1.584 -1.235 -2.163) 2.952 5.331 ( 3.630 -0.452 1.453) 3.936 5.345 ( 2.445 -1.718 0.544) 3.037 5.437 ( -1.150 3.177 -0.339) 3.396 5.507 ( 0.010 -3.293 -0.403) 3.318 5.761 ( 0.273 2.392 0.556) 2.471 5.794 ( -2.419 -0.947 -0.922) 2.756 6.371 ( -0.402 0.693 -0.086) 0.805 6.379 ( -0.377 -0.124 -0.063) 0.401 8.617 ( -0.353 2.624 -0.302) 2.665 8.669 ( 0.041 -2.715 0.179) 2.721 13.169 ( 0.471 1.413 -0.080) 1.491 13.195 ( 0.650 -1.174 -0.144) 1.350 13.403 ( -0.005 4.348 -1.037) 4.470 13.439 ( 0.188 -0.238 -1.000) 1.045 13.455 ( -0.126 0.439 0.034) 0.458 13.508 ( -0.539 -4.050 0.216) 4.091 13.730 ( -0.147 1.885 0.840) 2.069 13.761 ( -0.253 -1.180 0.939) 1.529 14.258 ( 0.009 0.605 0.128) 0.619 14.264 ( -0.072 0.120 0.160) 0.213 ======================= Grid point 63 (21/92) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -1.453 0.000 21.066) 21.116 0.515 ( -0.839 0.000 23.575) 23.590 0.784 ( -2.304 0.000 35.615) 35.689 1.403 ( -0.722 0.000 -7.036) 7.073 1.659 ( 0.554 0.000 -10.101) 10.116 1.731 ( -0.345 0.000 5.907) 5.917 1.976 ( 3.832 0.000 -1.987) 4.317 2.026 ( -1.522 0.000 2.697) 3.097 2.168 ( -6.853 0.000 -1.467) 7.009 2.257 ( 0.469 0.000 -4.372) 4.397 2.302 ( -0.565 0.000 -2.794) 2.851 2.601 ( -0.668 0.000 2.893) 2.969 2.601 ( 7.165 0.000 -8.722) 11.288 2.643 ( 0.073 0.000 3.413) 3.413 2.780 ( -1.606 0.000 -5.299) 5.537 2.855 ( 0.419 0.000 -1.192) 1.263 2.938 ( -0.680 0.000 4.335) 4.388 2.950 ( -2.915 0.000 -1.053) 3.099 3.005 ( 5.118 0.000 -2.461) 5.679 3.108 ( -1.390 0.000 -0.024) 1.390 3.258 ( -0.934 0.000 3.697) 3.814 3.384 ( -1.499 0.000 -2.159) 2.629 3.448 ( 1.119 0.000 2.188) 2.457 3.523 ( -2.168 0.000 1.518) 2.646 3.700 ( -1.483 0.000 1.827) 2.354 3.728 ( 4.447 0.000 -2.864) 5.289 3.779 ( -0.771 0.000 -3.399) 3.485 3.848 ( -0.274 0.000 2.591) 2.605 3.890 ( -1.291 0.000 -3.834) 4.045 3.954 ( 2.767 0.000 -1.558) 3.175 4.097 ( -1.498 0.000 1.254) 1.953 4.267 ( -2.456 0.000 2.301) 3.365 4.310 ( 0.005 0.000 -0.736) 0.736 4.412 ( 17.004 0.000 0.493) 17.011 4.484 ( 4.879 0.000 -0.126) 4.880 4.495 ( 4.182 0.000 -2.672) 4.962 4.812 ( -1.582 0.000 0.085) 1.584 4.818 ( -3.135 0.000 1.884) 3.658 4.969 ( -1.939 0.000 2.915) 3.502 5.034 ( -33.648 0.000 0.270) 33.649 5.142 ( -1.603 0.000 1.120) 1.956 5.368 ( 19.370 0.000 -1.896) 19.462 5.520 ( 1.356 0.000 -3.131) 3.412 5.540 ( 0.915 0.000 -1.294) 1.585 5.683 ( -3.190 0.000 3.218) 4.531 5.798 ( 0.554 0.000 -0.775) 0.952 6.372 ( -0.278 0.000 0.650) 0.707 6.380 ( -0.052 0.000 0.480) 0.482 8.637 ( 4.919 0.000 0.197) 4.923 8.680 ( -1.503 0.000 -0.722) 1.668 13.077 ( -8.027 0.000 1.776) 8.221 13.208 ( -0.836 0.000 0.680) 1.077 13.208 ( 0.812 0.000 -1.147) 1.406 13.272 ( 2.489 0.000 -0.153) 2.494 13.457 ( -1.458 0.000 1.034) 1.787 13.600 ( 1.378 0.000 -1.547) 2.071 13.834 ( -2.589 0.000 -0.040) 2.589 13.844 ( 4.347 0.000 -0.289) 4.357 14.157 ( -0.525 0.000 0.866) 1.012 14.242 ( 0.960 0.000 -0.971) 1.365 ======================= Grid point 64 (22/92) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.227 0.000 20.127) 20.128 0.801 ( 4.593 0.000 20.355) 20.867 1.285 ( 15.525 0.000 23.925) 28.520 1.335 ( 3.736 0.000 -10.209) 10.871 1.563 ( 2.948 0.000 -11.565) 11.935 1.816 ( 1.357 0.000 7.738) 7.856 1.983 ( -6.450 0.000 -3.841) 7.507 2.012 ( 1.511 0.000 -0.537) 1.603 2.057 ( -2.415 0.000 3.989) 4.663 2.253 ( 0.919 0.000 -5.217) 5.298 2.253 ( 3.357 0.000 -5.114) 6.117 2.551 ( -0.620 0.000 -4.704) 4.745 2.594 ( -4.463 0.000 3.458) 5.646 2.619 ( -9.097 0.000 -3.023) 9.586 2.741 ( 3.963 0.000 1.027) 4.094 2.811 ( -3.012 0.000 -1.951) 3.588 2.886 ( 0.263 0.000 -5.417) 5.424 2.963 ( -0.853 0.000 1.931) 2.111 3.060 ( 1.736 0.000 1.073) 2.041 3.122 ( 0.544 0.000 1.511) 1.606 3.250 ( -2.991 0.000 0.608) 3.052 3.280 ( -6.685 0.000 -0.290) 6.691 3.495 ( -2.203 0.000 0.684) 2.307 3.518 ( 1.841 0.000 2.913) 3.446 3.685 ( -1.100 0.000 0.289) 1.138 3.698 ( -3.889 0.000 -2.976) 4.897 3.810 ( 4.233 0.000 0.974) 4.344 3.853 ( 3.828 0.000 -5.753) 6.910 3.901 ( 5.292 0.000 0.705) 5.338 3.985 ( 0.776 0.000 -0.349) 0.851 4.107 ( 0.458 0.000 2.427) 2.470 4.208 ( -1.757 0.000 -3.791) 4.178 4.326 ( -2.304 0.000 3.335) 4.054 4.460 ( 1.598 0.000 -1.762) 2.378 4.486 ( -10.865 0.000 3.563) 11.434 4.532 ( 4.980 0.000 -4.338) 6.605 4.748 ( 0.419 0.000 0.910) 1.002 4.791 ( -4.032 0.000 3.415) 5.284 4.959 ( 6.506 0.000 4.400) 7.854 4.984 ( 0.527 0.000 1.613) 1.697 5.150 ( 1.413 0.000 1.689) 2.202 5.507 ( 1.950 0.000 -3.957) 4.412 5.536 ( 0.623 0.000 -1.740) 1.849 5.536 ( 6.072 0.000 -4.545) 7.584 5.678 ( -0.674 0.000 0.955) 1.169 5.791 ( -0.614 0.000 -0.126) 0.627 6.371 ( -0.722 0.000 0.718) 1.018 6.383 ( -0.317 0.000 0.559) 0.643 8.636 ( -2.163 0.000 -1.683) 2.741 8.686 ( 1.762 0.000 1.005) 2.029 13.066 ( 1.107 0.000 0.765) 1.345 13.210 ( 0.385 0.000 -0.054) 0.389 13.224 ( 1.430 0.000 0.302) 1.461 13.322 ( 3.921 0.000 -0.923) 4.028 13.448 ( -0.754 0.000 1.306) 1.508 13.603 ( 1.170 0.000 -1.328) 1.770 13.763 ( -4.955 0.000 -1.164) 5.090 13.869 ( -0.672 0.000 0.810) 1.053 14.163 ( 0.227 0.000 0.729) 0.764 14.246 ( 0.758 0.000 -0.850) 1.139 ======================= Grid point 65 (23/92) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 7.703 0.000 16.453) 18.167 1.076 ( 4.956 0.000 12.788) 13.715 1.293 ( 5.970 0.000 -10.444) 12.030 1.454 ( 4.882 0.000 -12.835) 13.733 1.759 ( 13.150 0.000 5.213) 14.146 1.881 ( -3.328 0.000 5.882) 6.758 1.932 ( 0.867 0.000 7.934) 7.982 2.018 ( -0.631 0.000 2.178) 2.268 2.066 ( -0.635 0.000 1.348) 1.490 2.232 ( 5.430 0.000 -7.371) 9.155 2.247 ( 2.087 0.000 -3.151) 3.779 2.419 ( -11.456 0.000 0.800) 11.483 2.533 ( 1.321 0.000 -2.234) 2.596 2.536 ( -7.684 0.000 4.405) 8.857 2.731 ( -4.355 0.000 -0.962) 4.460 2.738 ( -2.750 0.000 -3.433) 4.398 2.903 ( 6.845 0.000 -2.703) 7.359 2.957 ( -1.586 0.000 1.067) 1.911 3.071 ( -2.737 0.000 2.187) 3.503 3.097 ( -5.773 0.000 0.215) 5.777 3.180 ( -4.400 0.000 -0.751) 4.464 3.215 ( 2.060 0.000 -3.319) 3.906 3.482 ( -1.005 0.000 2.028) 2.264 3.568 ( 0.078 0.000 2.773) 2.774 3.603 ( -3.903 0.000 -2.355) 4.559 3.668 ( -0.653 0.000 -0.540) 0.848 3.872 ( 2.247 0.000 1.711) 2.824 3.877 ( 5.350 0.000 -4.052) 6.711 3.961 ( -2.038 0.000 -1.806) 2.723 4.020 ( 6.785 0.000 0.764) 6.828 4.145 ( -1.686 0.000 -2.444) 2.969 4.158 ( 2.262 0.000 2.049) 3.052 4.294 ( -2.361 0.000 -0.606) 2.438 4.376 ( -7.013 0.000 4.109) 8.128 4.491 ( 3.904 0.000 -1.446) 4.163 4.557 ( 4.074 0.000 -4.922) 6.389 4.754 ( -6.372 0.000 5.212) 8.232 4.771 ( 1.200 0.000 0.143) 1.209 5.022 ( 3.683 0.000 -1.197) 3.872 5.133 ( 9.040 0.000 2.057) 9.271 5.228 ( 2.928 0.000 5.030) 5.820 5.493 ( 1.017 0.000 -2.621) 2.812 5.524 ( 0.919 0.000 -2.411) 2.580 5.533 ( -0.555 0.000 -1.945) 2.023 5.664 ( -1.002 0.000 -1.650) 1.930 5.781 ( -1.172 0.000 1.106) 1.612 6.365 ( -0.982 0.000 0.672) 1.190 6.383 ( -0.463 0.000 0.457) 0.650 8.579 ( -2.190 0.000 -1.806) 2.838 8.728 ( 1.751 0.000 1.259) 2.157 13.095 ( 1.323 0.000 0.777) 1.534 13.214 ( 0.705 0.000 -0.804) 1.069 13.242 ( -0.711 0.000 1.206) 1.400 13.378 ( 4.643 0.000 -1.149) 4.783 13.464 ( 0.398 0.000 0.750) 0.849 13.609 ( 1.326 0.000 -1.377) 1.912 13.668 ( -4.574 0.000 -0.619) 4.616 13.851 ( -2.942 0.000 1.553) 3.326 14.181 ( 1.148 0.000 0.474) 1.242 14.249 ( 0.707 0.000 -0.835) 1.094 ======================= Grid point 66 (24/92) ======================= q-point: ( 0.33 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 5.313 0.000 -4.615) 7.037 1.235 ( 7.094 0.000 12.276) 14.178 1.352 ( 4.455 0.000 2.269) 4.999 1.423 ( 10.212 0.000 -10.974) 14.990 1.814 ( 1.050 0.000 -0.238) 1.077 1.926 ( -2.939 0.000 -5.145) 5.926 1.969 ( -2.610 0.000 2.899) 3.901 2.058 ( -1.471 0.000 4.793) 5.014 2.114 ( 2.352 0.000 3.231) 3.996 2.244 ( -1.057 0.000 -7.729) 7.801 2.296 ( 4.765 0.000 2.255) 5.272 2.306 ( 2.717 0.000 2.877) 3.957 2.455 ( -8.477 0.000 5.163) 9.926 2.545 ( 0.519 0.000 0.775) 0.933 2.627 ( -4.862 0.000 -3.365) 5.912 2.662 ( -2.943 0.000 -0.270) 2.955 2.945 ( -2.101 0.000 2.450) 3.227 2.953 ( 0.539 0.000 -4.279) 4.313 3.019 ( -5.510 0.000 1.020) 5.604 3.039 ( 2.996 0.000 -0.064) 2.997 3.127 ( -1.590 0.000 -0.349) 1.628 3.218 ( 3.169 0.000 -4.767) 5.724 3.497 ( -3.215 0.000 3.908) 5.061 3.529 ( -1.466 0.000 -0.287) 1.493 3.565 ( -1.265 0.000 -1.152) 1.711 3.668 ( -0.056 0.000 1.686) 1.687 3.885 ( -1.342 0.000 -3.009) 3.294 3.927 ( 2.418 0.000 0.941) 2.594 3.939 ( 5.026 0.000 -3.157) 5.936 4.098 ( -2.980 0.000 1.144) 3.192 4.109 ( 2.965 0.000 0.782) 3.066 4.202 ( 0.400 0.000 0.414) 0.575 4.279 ( 3.015 0.000 -2.364) 3.831 4.340 ( -2.101 0.000 2.712) 3.431 4.551 ( 4.370 0.000 -0.766) 4.437 4.552 ( 1.822 0.000 -4.026) 4.419 4.707 ( -7.068 0.000 6.402) 9.536 4.792 ( 1.066 0.000 0.501) 1.178 5.066 ( 4.277 0.000 -2.933) 5.186 5.272 ( 6.232 0.000 -0.418) 6.246 5.332 ( 0.951 0.000 6.966) 7.030 5.485 ( 0.510 0.000 -0.701) 0.867 5.510 ( 0.617 0.000 -1.363) 1.496 5.518 ( 2.009 0.000 -2.648) 3.324 5.610 ( -3.145 0.000 -1.207) 3.369 5.773 ( -1.965 0.000 1.616) 2.544 6.353 ( -1.091 0.000 0.227) 1.114 6.377 ( -0.484 0.000 -0.085) 0.492 8.533 ( -1.248 0.000 -0.960) 1.575 8.762 ( 1.137 0.000 0.152) 1.147 13.123 ( 0.537 0.000 1.385) 1.485 13.221 ( 0.965 0.000 0.067) 0.967 13.235 ( -1.825 0.000 1.853) 2.601 13.434 ( 1.196 0.000 -0.568) 1.324 13.455 ( 0.838 0.000 -0.933) 1.254 13.614 ( 1.451 0.000 -1.938) 2.421 13.627 ( -0.809 0.000 0.777) 1.122 13.812 ( -3.557 0.000 1.180) 3.747 14.205 ( 1.210 0.000 -0.030) 1.210 14.251 ( 0.716 0.000 -0.917) 1.164 ======================= Grid point 67 (25/92) ======================= q-point: ( 0.44 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 4.138 0.000 1.378) 4.362 1.331 ( 0.834 0.000 0.018) 0.834 1.388 ( 1.811 0.000 -3.903) 4.303 1.602 ( 9.521 0.000 -1.655) 9.663 1.765 ( -2.193 0.000 -2.288) 3.169 1.856 ( 2.223 0.000 -0.788) 2.358 1.925 ( -4.912 0.000 -0.115) 4.913 2.043 ( -3.962 0.000 0.768) 4.036 2.153 ( -1.064 0.000 -3.719) 3.868 2.159 ( -0.673 0.000 3.287) 3.355 2.353 ( 1.412 0.000 -4.184) 4.416 2.367 ( 2.168 0.000 -4.128) 4.663 2.382 ( -7.068 0.000 4.800) 8.544 2.554 ( -0.175 0.000 0.804) 0.823 2.607 ( 2.503 0.000 5.612) 6.145 2.634 ( 0.575 0.000 -1.239) 1.366 2.895 ( -10.690 0.000 5.383) 11.969 2.914 ( 0.874 0.000 -2.473) 2.623 2.974 ( 2.209 0.000 -2.243) 3.148 3.091 ( 2.912 0.000 -3.184) 4.315 3.113 ( -0.317 0.000 0.560) 0.644 3.225 ( 5.624 0.000 -5.500) 7.867 3.446 ( -5.165 0.000 2.730) 5.843 3.534 ( 0.476 0.000 -2.123) 2.176 3.565 ( 0.402 0.000 4.852) 4.869 3.689 ( -0.553 0.000 2.534) 2.594 3.855 ( 1.987 0.000 -2.740) 3.384 3.958 ( 0.550 0.000 -0.286) 0.619 3.986 ( 2.418 0.000 0.432) 2.456 4.077 ( -1.702 0.000 1.510) 2.275 4.140 ( 0.745 0.000 -1.104) 1.331 4.173 ( -2.492 0.000 -0.897) 2.648 4.329 ( 5.684 0.000 -2.277) 6.123 4.348 ( -0.844 0.000 1.605) 1.813 4.547 ( 1.602 0.000 -1.388) 2.119 4.592 ( 1.267 0.000 -0.973) 1.598 4.672 ( -6.715 0.000 7.923) 10.386 4.825 ( 1.692 0.000 1.531) 2.281 5.090 ( 3.012 0.000 -3.555) 4.660 5.322 ( 2.395 0.000 -1.982) 3.109 5.390 ( -3.334 0.000 6.216) 7.054 5.471 ( -3.064 0.000 -3.711) 4.813 5.504 ( 1.637 0.000 -0.267) 1.659 5.540 ( 3.957 0.000 -1.757) 4.329 5.601 ( 1.955 0.000 3.616) 4.110 5.745 ( -3.167 0.000 0.646) 3.232 6.336 ( -0.698 0.000 -0.398) 0.804 6.365 ( -0.348 0.000 -0.858) 0.926 8.524 ( 0.407 0.000 0.736) 0.840 8.762 ( -0.179 0.000 -1.740) 1.749 13.143 ( -0.129 0.000 1.778) 1.783 13.227 ( -1.916 0.000 2.235) 2.944 13.251 ( 0.943 0.000 2.332) 2.516 13.420 ( 0.426 0.000 -0.141) 0.449 13.482 ( 1.195 0.000 -0.632) 1.352 13.612 ( 1.561 0.000 -2.776) 3.185 13.627 ( -0.462 0.000 0.194) 0.501 13.767 ( -2.708 0.000 0.112) 2.710 14.215 ( 0.403 0.000 -0.637) 0.754 14.251 ( 0.588 0.000 -1.076) 1.226 ======================= Grid point 68 (26/92) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -11.852 0.000 -3.890) 12.474 1.271 ( -12.720 0.000 1.917) 12.864 1.510 ( 12.044 0.000 3.610) 12.573 1.548 ( 4.006 0.000 -6.750) 7.850 1.826 ( -4.857 0.000 -2.262) 5.358 1.863 ( -2.134 0.000 0.084) 2.135 1.928 ( 10.838 0.000 0.794) 10.867 1.962 ( -4.410 0.000 -1.817) 4.769 2.106 ( 0.439 0.000 -4.614) 4.635 2.167 ( -4.659 0.000 2.375) 5.229 2.210 ( -7.420 0.000 -3.658) 8.273 2.351 ( 0.802 0.000 -1.441) 1.649 2.388 ( 0.980 0.000 3.708) 3.835 2.566 ( 0.126 0.000 1.537) 1.542 2.645 ( 2.673 0.000 -2.346) 3.556 2.725 ( 4.099 0.000 2.305) 4.703 2.794 ( -6.019 0.000 3.469) 6.947 2.927 ( 3.074 0.000 -1.888) 3.607 2.990 ( 2.863 0.000 -2.707) 3.940 3.084 ( 0.785 0.000 -0.329) 0.851 3.123 ( 0.126 0.000 0.802) 0.812 3.275 ( 7.302 0.000 -5.585) 9.193 3.398 ( -4.639 0.000 2.805) 5.421 3.536 ( 1.425 0.000 -0.871) 1.670 3.641 ( 1.092 0.000 6.442) 6.534 3.699 ( -1.044 0.000 1.285) 1.655 3.871 ( 2.471 0.000 -2.100) 3.242 3.936 ( -2.492 0.000 -0.434) 2.529 4.038 ( 1.778 0.000 2.826) 3.339 4.068 ( -1.035 0.000 1.426) 1.762 4.073 ( -3.702 0.000 -3.744) 5.266 4.152 ( 0.304 0.000 -2.343) 2.362 4.333 ( -2.648 0.000 0.861) 2.785 4.397 ( 5.498 0.000 -2.464) 6.025 4.556 ( -2.188 0.000 2.257) 3.143 4.573 ( -1.166 0.000 -1.702) 2.064 4.683 ( -1.739 0.000 7.211) 7.417 4.866 ( -0.339 0.000 3.010) 3.029 5.089 ( 1.396 0.000 -2.780) 3.111 5.316 ( 0.600 0.000 -8.439) 8.461 5.361 ( -6.637 0.000 3.882) 7.689 5.376 ( -2.730 0.000 1.728) 3.231 5.537 ( 1.099 0.000 1.872) 2.171 5.601 ( 3.846 0.000 0.526) 3.882 5.686 ( -3.135 0.000 -1.571) 3.507 5.701 ( 4.396 0.000 3.514) 5.628 6.326 ( 0.170 0.000 -0.562) 0.587 6.350 ( 0.110 0.000 -1.258) 1.263 8.561 ( 1.696 0.000 2.413) 2.949 8.718 ( -1.368 0.000 -3.650) 3.898 13.166 ( -0.249 0.000 3.218) 3.228 13.222 ( -1.223 0.000 1.453) 1.899 13.293 ( -0.182 0.000 3.537) 3.542 13.446 ( 1.794 0.000 -0.116) 1.798 13.474 ( -0.991 0.000 -0.821) 1.287 13.602 ( 1.542 0.000 -3.495) 3.820 13.622 ( -0.070 0.000 1.227) 1.229 13.731 ( -0.701 0.000 -1.297) 1.474 14.205 ( -0.520 0.000 -0.753) 0.915 14.246 ( 0.439 0.000 -1.213) 1.290 ======================= Grid point 69 (27/92) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( -15.851 0.000 -5.026) 16.629 1.007 ( -19.777 0.000 1.815) 19.860 1.582 ( -4.102 0.000 -7.399) 8.460 1.689 ( -7.274 0.000 -3.248) 7.967 1.722 ( 2.956 0.000 -1.189) 3.186 1.740 ( -5.706 0.000 7.547) 9.461 1.908 ( 4.117 0.000 -0.938) 4.222 1.990 ( -2.315 0.000 3.852) 4.494 2.061 ( 3.152 0.000 -8.176) 8.763 2.083 ( -1.452 0.000 1.890) 2.383 2.261 ( 6.699 0.000 2.608) 7.189 2.362 ( 1.986 0.000 -0.478) 2.042 2.455 ( 1.195 0.000 3.278) 3.489 2.595 ( 1.367 0.000 1.553) 2.069 2.673 ( 4.004 0.000 -1.488) 4.272 2.767 ( 1.175 0.000 -2.043) 2.357 2.790 ( 1.382 0.000 1.762) 2.239 2.962 ( 4.006 0.000 -1.520) 4.285 3.001 ( 1.514 0.000 -2.648) 3.050 3.129 ( 1.694 0.000 2.941) 3.394 3.130 ( 1.782 0.000 -1.517) 2.340 3.301 ( -1.222 0.000 -1.412) 1.867 3.385 ( 2.956 0.000 0.162) 2.960 3.546 ( -0.423 0.000 0.492) 0.649 3.683 ( -0.876 0.000 -0.916) 1.267 3.730 ( 0.552 0.000 6.332) 6.356 3.874 ( 1.874 0.000 -3.530) 3.996 3.885 ( -3.988 0.000 1.645) 4.314 3.964 ( -3.071 0.000 -5.716) 6.489 4.055 ( -1.957 0.000 2.984) 3.568 4.105 ( -1.280 0.000 -5.088) 5.246 4.134 ( 4.247 0.000 2.956) 5.175 4.284 ( -4.393 0.000 0.742) 4.455 4.442 ( 2.202 0.000 -1.697) 2.781 4.514 ( -4.474 0.000 0.696) 4.528 4.532 ( -1.277 0.000 -1.658) 2.093 4.758 ( 0.982 0.000 5.977) 6.057 4.875 ( -2.811 0.000 3.441) 4.443 5.080 ( -0.344 0.000 -0.453) 0.569 5.172 ( -5.664 0.000 -6.252) 8.436 5.273 ( -7.979 0.000 2.521) 8.368 5.413 ( 3.861 0.000 -0.333) 3.875 5.576 ( 0.724 0.000 2.293) 2.405 5.605 ( -3.408 0.000 -0.694) 3.478 5.682 ( 4.778 0.000 -1.055) 4.893 5.809 ( 3.845 0.000 3.588) 5.259 6.331 ( 0.840 0.000 -0.139) 0.852 6.344 ( 0.764 0.000 -0.938) 1.210 8.622 ( 1.786 0.000 3.031) 3.518 8.643 ( -1.712 0.000 -4.889) 5.180 13.208 ( -0.448 0.000 5.428) 5.447 13.218 ( -0.378 0.000 0.139) 0.402 13.313 ( -1.811 0.000 3.055) 3.551 13.422 ( -2.489 0.000 -2.969) 3.874 13.457 ( -0.508 0.000 0.365) 0.626 13.590 ( 1.821 0.000 -3.442) 3.894 13.680 ( 3.077 0.000 4.009) 5.054 13.716 ( 1.384 0.000 -2.787) 3.112 14.186 ( -0.995 0.000 -0.236) 1.022 14.240 ( 0.497 0.000 -1.253) 1.348 ======================= Grid point 70 (28/92) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -17.625 0.000 0.834) 17.644 0.690 ( -20.572 0.000 -0.358) 20.575 1.135 ( -30.921 0.000 0.485) 30.925 1.656 ( -5.749 0.000 -2.555) 6.291 1.695 ( -5.234 0.000 4.661) 7.009 1.757 ( 7.047 0.000 -2.472) 7.468 1.975 ( 1.519 0.000 -4.747) 4.984 2.021 ( -2.389 0.000 5.801) 6.274 2.088 ( 0.490 0.000 3.101) 3.139 2.143 ( 12.782 0.000 0.082) 12.782 2.407 ( 5.037 0.000 -1.792) 5.346 2.407 ( 7.080 0.000 1.993) 7.355 2.477 ( -1.780 0.000 1.129) 2.108 2.646 ( 2.731 0.000 1.367) 3.054 2.740 ( 5.078 0.000 -0.660) 5.121 2.747 ( 0.100 0.000 -2.078) 2.081 2.861 ( 4.494 0.000 1.965) 4.905 2.968 ( -1.162 0.000 -2.893) 3.118 3.020 ( 3.768 0.000 -0.923) 3.879 3.167 ( 0.714 0.000 -0.421) 0.829 3.170 ( 5.968 0.000 -2.822) 6.602 3.243 ( -4.878 0.000 2.300) 5.394 3.460 ( 4.111 0.000 1.057) 4.245 3.524 ( -3.713 0.000 2.294) 4.365 3.667 ( 0.830 0.000 -1.528) 1.739 3.779 ( -1.303 0.000 3.345) 3.590 3.850 ( -3.968 0.000 1.761) 4.341 3.858 ( -1.373 0.000 -4.462) 4.669 3.877 ( 3.810 0.000 -3.523) 5.189 3.994 ( -3.745 0.000 -7.211) 8.126 4.056 ( -2.292 0.000 2.791) 3.612 4.211 ( -5.378 0.000 0.983) 5.467 4.230 ( 3.404 0.000 1.880) 3.888 4.386 ( -7.520 0.000 1.856) 7.746 4.479 ( 3.058 0.000 -5.631) 6.408 4.501 ( -0.629 0.000 -1.230) 1.382 4.825 ( -0.572 0.000 4.984) 5.017 4.858 ( -3.038 0.000 2.211) 3.757 5.032 ( -4.930 0.000 -1.232) 5.082 5.056 ( -4.041 0.000 1.542) 4.326 5.185 ( -5.043 0.000 2.172) 5.491 5.468 ( 4.002 0.000 -1.919) 4.438 5.555 ( -0.880 0.000 -1.623) 1.846 5.609 ( 0.422 0.000 1.787) 1.836 5.744 ( 3.653 0.000 -0.530) 3.691 5.897 ( 3.017 0.000 1.164) 3.234 6.347 ( 0.893 0.000 0.393) 0.975 6.354 ( 1.058 0.000 -0.102) 1.063 8.562 ( -1.515 0.000 -4.729) 4.966 8.675 ( 0.837 0.000 2.323) 2.469 13.212 ( 0.103 0.000 -0.628) 0.636 13.249 ( -2.288 0.000 3.503) 4.184 13.332 ( -0.012 0.000 6.219) 6.219 13.337 ( -3.000 0.000 -3.361) 4.505 13.458 ( -0.607 0.000 1.448) 1.570 13.585 ( 2.155 0.000 -3.742) 4.318 13.706 ( 1.804 0.000 -3.977) 4.367 13.779 ( 3.033 0.000 3.641) 4.739 14.170 ( -1.072 0.000 0.373) 1.135 14.236 ( 0.763 0.000 -1.223) 1.441 ======================= Grid point 71 (29/92) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( -17.728 0.000 5.886) 18.680 0.388 ( -13.538 0.000 16.511) 21.352 0.754 ( -29.798 0.000 24.046) 38.290 1.518 ( -5.553 0.000 -4.105) 6.906 1.693 ( -1.981 0.000 4.630) 5.036 1.771 ( 1.964 0.000 -10.075) 10.265 1.953 ( 3.034 0.000 -4.557) 5.474 2.036 ( -3.232 0.000 4.957) 5.917 2.160 ( 3.580 0.000 1.181) 3.770 2.298 ( 3.993 0.000 0.452) 4.018 2.393 ( -7.396 0.000 -1.884) 7.632 2.495 ( 9.742 0.000 -3.797) 10.456 2.539 ( 4.861 0.000 2.678) 5.550 2.672 ( -0.804 0.000 -1.035) 1.311 2.769 ( 4.688 0.000 -0.871) 4.768 2.813 ( 3.826 0.000 0.745) 3.898 2.927 ( -2.022 0.000 1.345) 2.429 2.959 ( 5.473 0.000 -2.250) 5.917 3.018 ( -1.972 0.000 -2.530) 3.208 3.152 ( -1.216 0.000 -1.318) 1.793 3.223 ( -1.943 0.000 4.657) 5.047 3.266 ( 10.140 0.000 -1.082) 10.198 3.503 ( -3.953 0.000 3.433) 5.236 3.519 ( 0.446 0.000 2.174) 2.220 3.674 ( 1.173 0.000 -0.089) 1.177 3.782 ( -2.710 0.000 -4.923) 5.620 3.789 ( 1.345 0.000 -0.808) 1.569 3.829 ( 0.741 0.000 0.757) 1.060 3.901 ( 2.417 0.000 -2.029) 3.156 3.930 ( 3.110 0.000 12.798) 13.171 4.014 ( -4.352 0.000 -1.647) 4.653 4.146 ( -3.954 0.000 2.123) 4.488 4.254 ( -1.757 0.000 2.469) 3.030 4.337 ( -1.212 0.000 0.806) 1.455 4.469 ( 3.386 0.000 -4.600) 5.712 4.482 ( -0.095 0.000 -1.188) 1.192 4.828 ( -1.874 0.000 0.341) 1.905 4.843 ( -2.619 0.000 3.032) 4.006 4.994 ( -4.801 0.000 2.231) 5.294 5.052 ( 5.434 0.000 7.364) 9.152 5.157 ( -2.349 0.000 2.234) 3.242 5.491 ( 1.654 0.000 -3.811) 4.154 5.539 ( 0.787 0.000 -1.416) 1.620 5.611 ( -1.629 0.000 -3.630) 3.979 5.785 ( 2.166 0.000 -0.743) 2.290 5.835 ( -8.342 0.000 -13.397) 15.782 6.364 ( 0.384 0.000 0.622) 0.731 6.372 ( 0.605 0.000 0.500) 0.785 8.522 ( 1.233 0.000 2.293) 2.604 8.696 ( -0.437 0.000 0.811) 0.921 13.211 ( 0.657 0.000 -0.837) 1.064 13.226 ( -2.372 0.000 0.913) 2.542 13.268 ( -1.106 0.000 -2.064) 2.342 13.358 ( -6.949 0.000 -8.764) 11.185 13.463 ( -0.901 0.000 1.434) 1.693 13.578 ( 3.267 0.000 -1.898) 3.778 13.717 ( 3.841 0.000 3.439) 5.156 13.841 ( 0.564 0.000 1.877) 1.960 14.159 ( -0.919 0.000 0.720) 1.167 14.237 ( 1.009 0.000 -1.129) 1.515 ======================= Grid point 72 (30/92) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 2.084 10.122 15.211) 18.390 0.670 ( -5.788 13.840 16.906) 22.602 1.050 ( 0.270 20.877 23.836) 31.687 1.434 ( -0.361 3.123 -6.585) 7.297 1.660 ( 0.759 0.336 -9.641) 9.677 1.772 ( -0.616 3.545 5.568) 6.630 1.950 ( 2.351 -4.229 -2.800) 5.590 1.982 ( 0.172 -3.148 2.106) 3.791 2.116 ( -6.030 -3.758 0.326) 7.112 2.237 ( 2.442 -0.770 -2.352) 3.477 2.340 ( -2.619 2.428 -3.459) 4.972 2.496 ( 3.477 -9.155 -5.571) 11.267 2.595 ( 0.979 -0.957 2.141) 2.541 2.631 ( -3.411 -6.725 2.584) 7.971 2.748 ( -0.084 0.897 -1.834) 2.044 2.850 ( -1.579 -0.288 0.427) 1.661 2.923 ( 2.569 -2.064 -0.372) 3.316 2.974 ( 3.061 -0.272 -0.228) 3.081 3.003 ( 0.642 -5.337 -0.840) 5.440 3.034 ( -2.301 2.043 -2.141) 3.748 3.269 ( 0.271 1.583 2.409) 2.895 3.384 ( -2.149 0.044 -2.022) 2.951 3.491 ( 1.089 3.411 3.248) 4.834 3.551 ( -0.533 2.720 1.109) 2.986 3.708 ( -1.079 -0.104 -1.757) 2.065 3.747 ( 0.149 -1.383 -2.230) 2.628 3.760 ( 3.531 1.562 0.030) 3.861 3.844 ( -0.755 0.013 2.911) 3.008 3.910 ( -2.762 1.819 -2.659) 4.243 3.924 ( 2.581 -2.232 1.530) 3.740 4.139 ( 2.901 2.644 -1.370) 4.158 4.175 ( 2.796 -8.156 6.884) 11.033 4.291 ( -0.617 -0.031 -3.022) 3.084 4.381 ( 3.374 0.274 5.422) 6.392 4.472 ( -0.300 1.269 0.071) 1.306 4.505 ( 4.995 -0.698 -6.016) 7.850 4.800 ( -4.475 -0.639 2.700) 5.266 4.835 ( -0.853 1.189 1.256) 1.929 4.900 ( -9.681 -3.876 6.935) 12.524 4.963 ( -2.158 -1.623 2.390) 3.606 5.127 ( -2.061 -2.169 1.639) 3.411 5.254 ( 4.738 -6.269 0.085) 7.859 5.513 ( 1.416 0.096 -3.360) 3.647 5.548 ( 1.354 0.677 -2.396) 2.834 5.693 ( -2.636 1.139 3.562) 4.575 6.043 ( 1.387 8.395 -12.545) 15.159 6.377 ( -0.181 0.552 0.562) 0.808 6.392 ( -0.131 1.067 0.251) 1.104 8.577 ( 1.900 -1.164 2.972) 3.715 8.762 ( 0.012 1.892 -5.026) 5.371 13.071 ( -4.721 -0.233 2.238) 5.230 13.174 ( -0.604 -2.074 0.376) 2.193 13.230 ( 1.222 1.371 -0.484) 1.899 13.291 ( 1.734 1.359 -0.682) 2.306 13.521 ( -1.562 4.728 -1.919) 5.336 13.610 ( 1.253 1.101 -1.393) 2.173 13.805 ( 2.503 -2.170 1.685) 3.717 13.834 ( -2.129 -0.720 0.288) 2.266 14.171 ( -0.365 1.453 0.786) 1.692 14.245 ( 0.883 0.265 -0.763) 1.197 ======================= Grid point 73 (31/92) ======================= q-point: ( 0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 2.804 8.933 15.896) 18.449 0.849 ( 4.281 6.803 18.460) 20.134 1.328 ( 5.566 3.947 -2.570) 7.292 1.442 ( 8.685 9.216 9.855) 16.047 1.565 ( 2.593 0.159 -11.349) 11.642 1.846 ( 1.232 2.725 6.593) 7.240 1.945 ( -0.491 -4.321 -0.877) 4.436 2.005 ( -0.971 0.455 -1.084) 1.525 2.034 ( -2.785 -1.962 3.677) 5.012 2.247 ( 1.689 -0.363 -4.323) 4.656 2.261 ( 0.497 0.570 -5.274) 5.328 2.483 ( 0.600 -6.676 -2.132) 7.033 2.529 ( -9.280 -5.974 0.964) 11.078 2.623 ( -1.376 -1.685 0.521) 2.237 2.715 ( -1.564 -0.070 1.330) 2.054 2.813 ( -1.749 -1.259 -2.025) 2.957 2.908 ( -4.630 1.979 -2.026) 5.427 2.946 ( -1.216 -1.741 0.746) 2.251 3.032 ( 2.969 -6.814 0.063) 7.434 3.058 ( 2.566 0.352 -0.608) 2.661 3.251 ( -3.235 1.404 -0.901) 3.640 3.322 ( -3.974 2.512 0.195) 4.706 3.500 ( -1.686 1.060 1.313) 2.385 3.562 ( -0.981 2.506 2.531) 3.694 3.692 ( -0.380 0.685 -1.314) 1.530 3.703 ( -0.424 0.193 -2.603) 2.644 3.826 ( 1.927 1.948 0.573) 2.799 3.855 ( 1.787 0.476 -2.654) 3.235 3.898 ( 5.752 -0.311 0.112) 5.762 3.989 ( 1.520 -0.254 1.882) 2.432 4.169 ( 2.676 5.560 -0.871) 6.232 4.199 ( -1.908 -1.224 -1.395) 2.662 4.262 ( -2.358 -4.908 2.529) 6.003 4.435 ( -4.531 -3.975 2.216) 6.422 4.476 ( 0.848 1.322 -0.535) 1.659 4.517 ( 4.893 -0.709 -4.426) 6.636 4.758 ( -2.341 1.619 2.060) 3.514 4.823 ( -2.816 1.881 3.225) 4.676 4.951 ( 6.011 -0.790 3.936) 7.228 4.977 ( 1.619 -0.693 0.845) 1.953 5.131 ( 1.129 -2.095 1.612) 2.875 5.379 ( 7.242 -10.836 -0.061) 13.033 5.497 ( 0.804 -1.084 -2.908) 3.206 5.537 ( 1.135 0.920 -2.936) 3.280 5.678 ( -3.863 1.705 3.331) 5.378 5.939 ( -0.726 7.033 -6.745) 9.772 6.377 ( -0.638 0.609 0.626) 1.082 6.391 ( -0.430 0.772 0.435) 0.984 8.624 ( 0.122 -0.481 1.024) 1.137 8.703 ( -0.668 0.737 -2.041) 2.271 13.069 ( 0.685 0.373 1.248) 1.472 13.182 ( 0.840 -1.694 0.225) 1.904 13.254 ( 1.696 1.804 0.137) 2.479 13.327 ( 3.558 0.400 -1.246) 3.791 13.481 ( -1.967 2.915 0.107) 3.518 13.617 ( 1.380 1.448 -1.078) 2.272 13.758 ( -4.702 -0.591 -1.196) 4.887 13.849 ( -0.474 -1.698 1.662) 2.423 14.177 ( 0.229 1.498 0.646) 1.647 14.249 ( 0.632 0.331 -0.666) 0.976 ======================= Grid point 74 (32/92) ======================= q-point: ( 0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 6.152 6.518 13.532) 16.232 1.124 ( 5.741 4.886 13.580) 15.532 1.305 ( 6.037 1.929 -11.465) 13.101 1.491 ( 4.683 2.734 -10.632) 11.935 1.713 ( 8.871 -3.848 1.859) 9.846 1.904 ( -3.561 1.463 4.454) 5.887 1.975 ( 1.976 3.329 8.014) 8.900 2.003 ( 0.199 -2.669 1.966) 3.320 2.045 ( 0.144 0.224 0.410) 0.489 2.220 ( 1.278 -0.230 -2.446) 2.769 2.227 ( 1.822 -3.372 -6.558) 7.596 2.372 ( -7.261 -3.266 0.649) 7.988 2.483 ( -4.150 -2.607 3.427) 5.980 2.604 ( 0.124 2.265 0.088) 2.270 2.697 ( -3.074 -1.785 -0.200) 3.560 2.765 ( -2.931 -0.689 -0.919) 3.148 2.810 ( -2.717 -3.122 -1.237) 4.319 2.936 ( -2.754 -3.575 2.515) 5.166 3.053 ( -1.888 -3.669 -1.205) 4.298 3.069 ( 1.172 -3.130 -0.328) 3.358 3.186 ( 0.115 2.387 -3.878) 4.556 3.255 ( -4.051 5.285 0.143) 6.660 3.500 ( -0.184 1.335 1.693) 2.164 3.560 ( -2.158 -1.106 1.337) 2.769 3.630 ( -2.809 1.857 -1.582) 3.721 3.717 ( 2.671 4.052 -1.670) 5.132 3.859 ( 3.655 -0.102 -1.503) 3.953 3.890 ( 3.271 0.511 0.089) 3.312 3.975 ( 1.121 1.063 -2.113) 2.617 4.009 ( 1.556 -1.109 0.695) 2.033 4.162 ( 0.146 1.455 -1.362) 1.999 4.210 ( 1.048 3.163 1.454) 3.636 4.238 ( -1.725 -2.480 0.933) 3.162 4.358 ( -4.622 -3.145 0.036) 5.591 4.502 ( 3.381 1.029 -1.174) 3.724 4.541 ( 2.729 -0.598 -3.002) 4.101 4.754 ( -2.961 1.756 4.028) 5.299 4.816 ( -0.890 2.542 1.278) 2.981 5.015 ( 3.564 -0.563 -1.264) 3.823 5.116 ( 8.427 -1.953 1.926) 8.862 5.206 ( 3.503 -2.044 4.558) 6.101 5.447 ( 2.033 -6.115 -2.764) 7.012 5.488 ( 1.357 -2.646 -0.642) 3.043 5.528 ( 1.685 -0.147 -2.277) 2.836 5.645 ( -3.999 2.082 2.537) 5.173 5.864 ( -1.853 4.476 -3.182) 5.796 6.370 ( -0.994 0.539 0.547) 1.256 6.387 ( -0.571 0.465 0.338) 0.811 8.590 ( -2.097 1.046 -1.810) 2.961 8.718 ( 1.541 -0.986 1.169) 2.171 13.100 ( 1.208 0.529 1.279) 1.837 13.197 ( 0.849 -1.111 -0.082) 1.401 13.274 ( -0.100 2.483 0.375) 2.514 13.375 ( 4.364 -0.299 -1.557) 4.643 13.464 ( -0.551 0.194 0.046) 0.585 13.631 ( 1.429 2.070 -0.695) 2.610 13.666 ( -4.539 -0.321 -0.685) 4.602 13.843 ( -2.491 -0.806 1.786) 3.169 14.193 ( 1.006 1.218 0.361) 1.620 14.251 ( 0.486 0.245 -0.710) 0.894 ======================= Grid point 75 (33/92) ======================= q-point: ( 0.33 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 4.828 0.828 -0.018) 4.899 1.323 ( 4.540 6.696 7.484) 11.021 1.338 ( 8.457 1.502 -3.016) 9.103 1.493 ( 7.312 5.079 -4.984) 10.203 1.796 ( 3.154 -3.492 -0.635) 4.748 1.898 ( -1.562 -2.911 0.251) 3.313 1.980 ( -5.086 1.331 -1.253) 5.404 2.033 ( 0.041 -3.244 0.746) 3.329 2.074 ( -0.128 -0.898 1.899) 2.105 2.149 ( -4.546 -5.470 -0.259) 7.117 2.263 ( 4.870 -1.753 0.274) 5.183 2.365 ( 2.844 1.369 0.892) 3.280 2.436 ( -5.339 -1.159 3.672) 6.583 2.614 ( -1.134 0.930 -0.124) 1.472 2.637 ( -2.022 4.542 0.670) 5.017 2.677 ( -4.843 1.367 -0.449) 5.052 2.795 ( 0.692 -9.028 -2.321) 9.347 2.907 ( -4.490 -5.187 3.393) 7.653 3.003 ( -1.326 -7.024 -1.535) 7.311 3.062 ( -1.226 0.865 -0.207) 1.514 3.178 ( 1.242 6.660 -1.742) 6.995 3.215 ( 1.597 2.810 -2.468) 4.067 3.514 ( -2.972 -0.629 -1.120) 3.238 3.526 ( 0.295 0.802 2.510) 2.652 3.583 ( -2.123 1.740 0.039) 2.746 3.742 ( 1.783 5.909 -0.445) 6.188 3.908 ( 3.822 -0.780 -1.158) 4.069 3.920 ( -0.893 2.052 -4.010) 4.592 3.949 ( 3.373 0.859 0.042) 3.481 4.044 ( 1.638 -2.834 -0.113) 3.276 4.143 ( -3.053 0.230 1.622) 3.465 4.228 ( 0.595 -2.864 2.233) 3.680 4.256 ( -0.492 4.493 0.005) 4.520 4.317 ( 1.283 -2.762 -0.951) 3.190 4.524 ( 1.462 -1.624 -2.752) 3.514 4.565 ( 3.085 0.826 -0.538) 3.238 4.744 ( -4.608 3.929 5.444) 8.143 4.827 ( 1.249 2.727 0.269) 3.011 5.053 ( 3.446 -1.156 -2.665) 4.507 5.252 ( 6.299 -2.628 0.766) 6.868 5.316 ( 1.761 -1.173 5.444) 5.841 5.430 ( 0.742 -4.063 -2.049) 4.610 5.496 ( -0.214 -0.728 -0.100) 0.766 5.537 ( 1.560 -1.766 -2.373) 3.344 5.618 ( -1.345 3.306 1.681) 3.945 5.805 ( -2.745 2.121 -0.850) 3.571 6.357 ( -1.083 0.434 0.205) 1.185 6.379 ( -0.565 0.224 -0.118) 0.619 8.545 ( -1.191 1.173 -1.012) 1.955 8.749 ( 0.973 -1.280 0.244) 1.626 13.131 ( 0.377 0.751 1.686) 1.883 13.214 ( 1.052 -0.477 0.716) 1.359 13.263 ( -1.655 2.594 1.044) 3.249 13.428 ( 2.435 -0.725 -0.653) 2.623 13.445 ( 0.150 -0.743 -1.622) 1.790 13.615 ( -1.188 -0.322 0.056) 1.232 13.645 ( 0.986 1.976 -0.649) 2.302 13.812 ( -3.131 -0.037 1.146) 3.335 14.214 ( 1.185 0.902 -0.093) 1.492 14.249 ( 0.424 -0.037 -0.867) 0.965 ======================= Grid point 76 (34/92) ======================= q-point: ( 0.44 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 2.079 -0.248 0.548) 2.164 1.372 ( 5.253 3.617 -2.509) 6.854 1.428 ( -0.501 4.336 -0.502) 4.393 1.637 ( 8.400 3.164 -1.308) 9.071 1.785 ( -3.115 1.688 -3.249) 4.807 1.821 ( -1.207 -3.914 0.231) 4.103 1.943 ( 0.346 1.243 -1.128) 1.714 2.016 ( -0.048 -7.218 0.575) 7.241 2.047 ( -3.242 -2.092 0.056) 3.859 2.124 ( -1.749 -2.815 2.265) 4.014 2.299 ( 0.508 -0.659 -6.100) 6.156 2.351 ( -5.742 -2.126 5.811) 8.442 2.453 ( 2.410 2.589 -0.589) 3.586 2.606 ( 0.363 0.533 1.862) 1.970 2.616 ( -1.622 -1.412 0.794) 2.292 2.647 ( 0.552 6.008 0.762) 6.081 2.776 ( 0.807 -7.809 -2.477) 8.232 2.871 ( -4.845 -5.149 3.151) 7.740 2.969 ( -0.150 -10.325 -2.353) 10.590 3.034 ( -1.486 4.316 -0.358) 4.578 3.174 ( 0.066 6.733 0.156) 6.736 3.241 ( 5.688 0.432 -5.462) 7.898 3.469 ( -1.403 1.957 0.259) 2.422 3.551 ( -1.839 0.912 0.022) 2.053 3.572 ( 0.657 0.734 4.632) 4.736 3.764 ( 0.953 6.323 0.336) 6.403 3.891 ( 2.115 2.733 -2.884) 4.501 3.948 ( 2.125 -1.203 -0.830) 2.579 3.988 ( 1.165 0.513 0.297) 1.307 4.059 ( -0.644 -1.284 0.683) 1.591 4.123 ( -0.050 -2.501 -0.356) 2.527 4.209 ( -3.801 2.262 -0.269) 4.431 4.265 ( 0.078 -2.334 2.696) 3.567 4.354 ( 3.613 -0.713 -1.235) 3.884 4.528 ( 2.167 -1.722 -0.963) 2.931 4.593 ( 0.638 0.019 -0.717) 0.960 4.727 ( -5.317 5.464 6.051) 9.733 4.862 ( 1.801 2.828 1.087) 3.524 5.067 ( 2.334 -1.958 -3.103) 4.349 5.323 ( 2.992 -0.164 -2.371) 3.822 5.361 ( -2.932 -3.093 6.048) 7.399 5.434 ( -0.170 -2.915 -2.591) 3.904 5.479 ( -0.294 -2.899 0.703) 2.998 5.532 ( 1.006 0.984 -0.665) 1.557 5.652 ( 2.695 3.492 1.289) 4.596 5.755 ( -2.556 0.731 0.062) 2.660 6.342 ( -0.645 0.557 -0.248) 0.887 6.367 ( -0.331 0.239 -0.721) 0.829 8.536 ( 0.413 1.177 0.642) 1.403 8.749 ( -0.211 -1.282 -1.504) 1.988 13.148 ( -0.505 0.562 1.822) 1.972 13.242 ( -0.456 0.027 1.598) 1.662 13.259 ( -0.339 2.280 2.857) 3.671 13.422 ( 0.756 0.140 -0.404) 0.869 13.467 ( 1.576 -1.300 -0.924) 2.242 13.608 ( 0.281 -0.576 -0.564) 0.854 13.643 ( 0.116 1.603 -1.436) 2.155 13.772 ( -2.418 0.373 -0.135) 2.450 14.224 ( 0.439 0.899 -0.705) 1.224 14.246 ( 0.452 -0.371 -0.976) 1.138 ======================= Grid point 77 (35/92) ======================= q-point: (-0.44 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -10.215 1.265 -2.163) 10.518 1.321 ( -11.169 4.221 -0.838) 11.970 1.529 ( 9.822 1.847 3.264) 10.514 1.588 ( 3.193 3.783 -5.201) 7.180 1.775 ( -3.314 -4.038 -0.235) 5.229 1.895 ( 4.420 -0.570 -0.301) 4.467 1.915 ( 1.441 2.264 -2.633) 3.759 1.987 ( -3.640 -0.406 -0.643) 3.719 2.047 ( 0.746 -4.445 1.232) 4.673 2.114 ( -0.728 -2.909 -1.042) 3.175 2.208 ( -2.558 1.143 -2.820) 3.975 2.347 ( -3.431 -1.747 6.563) 7.609 2.417 ( -2.033 3.550 -4.018) 5.735 2.619 ( 2.158 -2.174 -0.415) 3.091 2.646 ( 0.109 4.318 2.109) 4.807 2.689 ( 3.357 -1.334 -0.329) 3.627 2.766 ( -0.840 -3.831 0.710) 3.986 2.819 ( -1.845 -8.927 -0.997) 9.170 2.968 ( 2.657 -6.127 -2.010) 6.974 3.032 ( 0.790 1.507 2.176) 2.763 3.181 ( 0.893 4.580 -0.810) 4.736 3.274 ( 5.054 -0.576 -3.910) 6.416 3.456 ( -2.342 4.888 1.306) 5.575 3.532 ( 0.570 -0.897 -0.748) 1.300 3.648 ( 0.958 1.083 5.771) 5.949 3.775 ( 0.055 6.066 -0.115) 6.068 3.906 ( 2.330 2.890 -2.350) 4.393 3.950 ( -0.238 0.445 -1.388) 1.477 4.005 ( -0.153 -1.139 0.401) 1.217 4.036 ( -2.241 -2.356 0.606) 3.307 4.119 ( -0.355 0.517 -0.191) 0.656 4.146 ( -1.782 0.459 -1.733) 2.527 4.285 ( -1.277 -1.641 2.523) 3.270 4.400 ( 3.292 -0.799 -1.054) 3.548 4.564 ( 1.239 -1.088 -0.543) 1.736 4.575 ( -0.603 0.272 -0.311) 0.730 4.712 ( -4.478 4.493 6.524) 9.100 4.894 ( -0.681 2.158 2.345) 3.259 5.065 ( 1.291 -2.356 -2.284) 3.526 5.298 ( -0.880 -1.588 -7.853) 8.060 5.347 ( -5.960 -1.774 4.044) 7.418 5.380 ( -1.542 0.737 2.242) 2.819 5.514 ( 1.975 -5.512 0.066) 5.855 5.558 ( 1.935 0.369 0.781) 2.119 5.661 ( -3.587 0.108 0.937) 3.709 5.778 ( 5.152 3.510 0.792) 6.284 6.334 ( 0.206 0.836 -0.372) 0.938 6.355 ( 0.185 0.554 -1.010) 1.166 8.571 ( 1.686 0.963 2.208) 2.940 8.710 ( -1.248 -0.828 -3.232) 3.563 13.161 ( -0.874 -0.072 2.796) 2.930 13.242 ( -0.983 1.052 1.503) 2.081 13.297 ( -0.325 1.103 3.361) 3.552 13.448 ( 1.896 0.129 -0.206) 1.911 13.466 ( -0.523 -0.705 -0.777) 1.173 13.614 ( 1.663 0.643 -1.567) 2.374 13.622 ( -0.366 0.222 -0.240) 0.491 13.735 ( -0.784 0.297 -1.556) 1.767 14.214 ( -0.466 0.850 -0.864) 1.298 14.242 ( 0.499 -0.244 -1.068) 1.204 ======================= Grid point 78 (36/92) ======================= q-point: (-0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -14.138 5.557 -2.694) 15.428 1.076 ( -16.685 6.531 0.282) 17.920 1.612 ( 3.292 1.808 -5.487) 6.649 1.696 ( -8.250 1.242 0.632) 8.367 1.731 ( -3.544 -1.368 5.024) 6.299 1.764 ( -2.088 4.592 -4.465) 6.737 1.906 ( 1.673 -0.874 1.749) 2.573 1.982 ( 1.241 -1.187 -0.472) 1.781 2.055 ( -1.608 -0.597 1.809) 2.493 2.090 ( 2.746 0.972 -4.945) 5.740 2.244 ( 6.855 -0.823 1.277) 7.021 2.345 ( -0.856 -1.295 -0.286) 1.578 2.403 ( 0.433 -3.064 3.717) 4.836 2.648 ( -0.406 0.566 0.574) 0.902 2.673 ( 1.183 -0.855 0.762) 1.647 2.723 ( 3.094 -2.225 -1.040) 3.950 2.764 ( 2.150 -1.125 -0.588) 2.497 2.834 ( 3.095 -8.652 0.162) 9.190 2.985 ( 2.458 -4.047 -2.440) 5.327 3.097 ( 2.139 -1.116 3.109) 3.935 3.179 ( 1.414 3.452 -2.759) 4.640 3.319 ( 2.804 1.218 -0.462) 3.092 3.422 ( -0.859 3.091 -0.852) 3.319 3.545 ( -0.223 -0.163 1.282) 1.311 3.710 ( -0.256 1.508 3.769) 4.067 3.758 ( -0.845 3.384 -1.344) 3.738 3.905 ( 1.665 3.190 -2.542) 4.406 3.921 ( -1.856 1.258 -1.017) 2.462 3.946 ( -3.732 -0.772 -3.365) 5.084 4.023 ( -1.486 -2.008 1.811) 3.085 4.097 ( -1.259 -1.666 -3.959) 4.476 4.161 ( 3.168 2.123 3.515) 5.186 4.273 ( -2.862 0.917 1.252) 3.255 4.427 ( 0.983 -1.398 -0.855) 1.911 4.529 ( -1.750 -0.112 -1.231) 2.142 4.572 ( -1.282 3.307 -1.096) 3.712 4.743 ( -1.009 0.185 6.691) 6.769 4.889 ( -3.015 1.066 2.660) 4.159 5.063 ( 0.014 -1.955 -0.145) 1.960 5.156 ( -5.758 -1.335 -5.739) 8.239 5.268 ( -7.838 -0.696 2.570) 8.278 5.421 ( 3.656 0.953 0.029) 3.778 5.512 ( -1.593 -7.942 -1.122) 8.177 5.601 ( 0.505 -0.405 1.559) 1.688 5.624 ( -0.856 -0.188 1.287) 1.557 5.891 ( 6.842 3.991 1.275) 8.023 6.340 ( 0.800 0.957 -0.123) 1.253 6.354 ( 0.816 0.960 -0.677) 1.430 8.622 ( 0.049 0.071 0.474) 0.481 8.653 ( 0.472 0.637 -1.964) 2.118 13.180 ( -1.413 -1.193 3.796) 4.222 13.245 ( -0.531 0.564 1.134) 1.373 13.308 ( -2.215 0.268 2.151) 3.099 13.423 ( -2.202 0.035 -2.701) 3.485 13.469 ( 0.443 1.269 1.276) 1.853 13.597 ( 1.788 0.790 -3.892) 4.355 13.685 ( 3.254 0.062 4.084) 5.222 13.713 ( 0.824 -0.179 -2.587) 2.721 14.195 ( -0.828 0.930 -0.399) 1.307 14.239 ( 0.547 -0.025 -1.127) 1.253 ======================= Grid point 79 (37/92) ======================= q-point: (-0.22 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( -13.265 11.414 3.057) 17.765 0.806 ( -16.252 11.075 -0.579) 19.675 1.273 ( -24.825 13.052 -1.295) 28.077 1.644 ( -4.011 -1.374 -1.536) 4.510 1.721 ( -1.522 3.159 1.324) 3.748 1.777 ( 2.692 1.780 0.858) 3.339 1.924 ( -1.193 -4.138 -1.664) 4.616 2.007 ( -0.948 -5.976 1.163) 6.161 2.070 ( 0.467 3.107 2.400) 3.954 2.172 ( 11.597 1.321 -0.077) 11.673 2.341 ( 0.743 -4.561 -1.239) 4.784 2.391 ( 8.144 -1.343 1.614) 8.411 2.455 ( 1.091 -2.668 2.670) 3.929 2.622 ( -1.012 -7.862 -1.000) 7.989 2.695 ( 0.370 1.024 2.416) 2.650 2.792 ( 5.123 0.315 -0.721) 5.183 2.827 ( 4.645 0.646 0.322) 4.701 2.877 ( 1.952 -6.008 -0.586) 6.345 2.997 ( 1.955 -4.374 -1.829) 5.128 3.135 ( 0.111 -3.695 0.005) 3.696 3.179 ( 2.955 3.706 -3.057) 5.640 3.329 ( -0.900 5.961 1.115) 6.131 3.451 ( 4.235 -0.849 0.140) 4.321 3.529 ( -4.082 0.568 1.972) 4.569 3.715 ( 0.603 4.033 -1.757) 4.440 3.752 ( -0.477 -1.012 1.968) 2.264 3.843 ( -1.921 -0.758 -5.470) 5.847 3.868 ( -3.085 0.407 -0.537) 3.158 3.921 ( 1.839 3.195 -0.901) 3.795 3.988 ( -4.017 0.187 -3.527) 5.349 4.047 ( -1.151 -2.747 2.269) 3.744 4.218 ( -3.581 2.934 -1.227) 4.789 4.260 ( 3.123 2.265 3.259) 5.050 4.400 ( -3.689 -0.375 0.219) 3.714 4.491 ( -1.522 -0.157 -0.625) 1.652 4.529 ( 1.006 4.263 -5.158) 6.767 4.800 ( -1.282 -1.517 6.003) 6.323 4.864 ( -2.955 0.396 1.918) 3.545 5.011 ( -5.916 -1.858 -1.417) 6.361 5.053 ( -3.305 -0.393 1.514) 3.656 5.174 ( -5.713 -1.173 2.054) 6.184 5.446 ( -2.829 -8.284 -1.334) 8.855 5.488 ( 3.407 -1.301 -1.403) 3.908 5.590 ( -1.748 -0.463 -0.162) 1.816 5.658 ( 0.479 -1.002 2.689) 2.910 6.023 ( 8.659 4.447 -0.913) 9.776 6.355 ( 0.833 0.762 0.237) 1.154 6.367 ( 1.114 1.296 0.083) 1.711 8.564 ( -1.705 0.507 -3.268) 3.721 8.704 ( 2.964 1.638 1.512) 3.709 13.191 ( -2.088 -2.146 3.046) 4.271 13.245 ( -1.481 -1.479 1.240) 2.432 13.277 ( -3.605 -1.540 1.274) 4.122 13.350 ( -2.470 0.910 -2.815) 3.854 13.508 ( 1.772 3.621 2.927) 4.981 13.590 ( 2.665 0.631 -4.237) 5.045 13.701 ( 1.254 -0.386 -2.740) 3.038 13.785 ( 2.943 0.100 3.766) 4.781 14.180 ( -0.841 1.065 0.165) 1.367 14.237 ( 0.739 0.123 -1.090) 1.323 ======================= Grid point 80 (38/92) ======================= q-point: (-0.11 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -12.919 16.298 -0.187) 20.798 0.616 ( -7.972 16.874 11.653) 22.002 0.970 ( -19.732 19.976 17.067) 32.859 1.535 ( -4.298 1.747 -4.158) 6.230 1.721 ( -0.817 2.704 1.046) 3.012 1.769 ( -0.670 1.138 -4.286) 4.485 1.922 ( 2.774 -3.594 -1.244) 4.708 1.993 ( -2.568 -5.183 1.746) 6.042 2.125 ( 1.943 -1.610 2.375) 3.465 2.271 ( -0.776 -2.549 -2.585) 3.713 2.367 ( 3.005 -1.643 0.578) 3.473 2.480 ( 3.352 -3.623 -3.497) 6.049 2.524 ( 4.896 -0.780 2.267) 5.452 2.627 ( 0.246 -9.210 2.064) 9.442 2.733 ( 2.024 2.694 0.333) 3.386 2.850 ( 0.230 -4.964 1.079) 5.085 2.881 ( 3.053 1.946 -0.075) 3.621 2.911 ( 4.632 -1.433 -1.978) 5.236 3.006 ( 0.955 -3.505 -1.167) 3.816 3.107 ( -3.070 -3.238 -0.624) 4.506 3.213 ( 3.836 2.015 -0.405) 4.352 3.365 ( 4.754 6.941 0.394) 8.423 3.473 ( -5.505 -1.050 3.557) 6.638 3.523 ( 2.449 0.734 1.552) 2.991 3.717 ( 1.773 2.812 -1.126) 3.510 3.770 ( -1.285 -0.825 -3.441) 3.764 3.776 ( -0.113 -1.009 -0.127) 1.024 3.816 ( 0.104 0.081 -0.455) 0.474 3.892 ( -3.790 -0.463 2.242) 4.428 3.939 ( 0.375 1.823 1.196) 2.212 4.076 ( 0.309 -1.046 2.704) 2.916 4.136 ( -1.321 2.552 -3.662) 4.655 4.304 ( -2.804 2.906 3.789) 5.537 4.356 ( -0.444 1.722 -0.869) 1.979 4.471 ( -0.284 0.074 0.156) 0.333 4.500 ( 3.264 2.300 -6.040) 7.240 4.822 ( -2.286 -0.879 3.046) 3.909 4.842 ( -2.200 0.381 1.840) 2.894 4.952 ( -4.684 -5.924 6.109) 9.714 4.992 ( -4.657 -0.167 1.258) 4.827 5.139 ( -2.460 -1.948 2.359) 3.925 5.338 ( -8.788 -11.078 -1.681) 14.240 5.520 ( 2.899 0.695 -3.211) 4.381 5.555 ( -0.516 0.335 -1.447) 1.572 5.686 ( -1.150 0.164 3.306) 3.504 6.113 ( 7.958 4.780 -10.276) 13.849 6.370 ( 0.379 0.606 0.515) 0.881 6.386 ( 0.765 1.268 0.194) 1.493 8.529 ( 0.102 1.060 0.702) 1.275 8.766 ( 4.101 2.314 -1.733) 5.017 13.172 ( -5.968 -5.069 2.630) 8.260 13.202 ( -4.661 -3.817 0.246) 6.030 13.231 ( -0.507 1.323 -1.221) 1.870 13.296 ( -0.827 1.589 -1.598) 2.400 13.563 ( 1.408 3.835 -3.288) 5.244 13.593 ( 2.836 1.534 -1.054) 3.392 13.715 ( 2.725 -0.104 2.103) 3.444 13.845 ( 0.220 -0.253 1.804) 1.835 14.172 ( -0.677 1.263 0.570) 1.542 14.239 ( 0.930 0.186 -0.955) 1.346 ======================= Grid point 81 (39/92) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -0.698 16.954 4.513) 17.558 0.983 ( -1.756 17.732 8.425) 19.710 1.421 ( 0.104 14.371 8.345) 16.618 1.514 ( 1.069 5.060 -5.384) 7.466 1.651 ( -0.473 -3.095 -8.812) 9.351 1.832 ( -0.999 -2.143 2.965) 3.792 1.845 ( 0.645 0.381 1.088) 1.320 1.920 ( 2.556 -3.447 1.976) 4.724 2.074 ( -2.644 -0.360 0.368) 2.693 2.241 ( -0.103 0.393 0.026) 0.407 2.281 ( 2.184 -9.807 -0.990) 10.096 2.392 ( -2.825 1.799 -3.029) 4.516 2.423 ( -2.932 -11.292 3.766) 12.259 2.575 ( 1.253 -1.888 -0.133) 2.270 2.745 ( -3.003 -3.440 1.134) 4.705 2.804 ( 3.523 -5.524 2.354) 6.962 2.893 ( -3.551 -0.693 -1.194) 3.810 2.938 ( 0.647 1.385 0.614) 1.648 2.966 ( 2.843 1.318 -0.177) 3.139 3.123 ( 0.287 5.093 -3.233) 6.040 3.299 ( 2.270 0.955 -0.084) 2.464 3.372 ( -1.745 -2.145 -3.110) 4.161 3.568 ( 1.156 4.033 1.663) 4.513 3.607 ( -0.006 3.055 0.453) 3.088 3.695 ( 0.172 -2.389 -1.563) 2.859 3.707 ( -1.427 -0.433 -0.997) 1.794 3.802 ( 4.440 1.967 0.356) 4.870 3.859 ( -1.282 1.289 3.047) 3.548 3.894 ( 2.320 -0.310 2.147) 3.176 3.945 ( -3.401 1.706 -1.421) 4.061 4.052 ( 1.191 -5.106 4.783) 7.097 4.154 ( 4.035 -1.424 -0.276) 4.288 4.303 ( -0.921 0.739 -4.837) 4.979 4.373 ( 1.283 -1.855 -2.091) 3.076 4.512 ( -0.728 3.149 2.161) 3.888 4.546 ( 0.995 4.944 -1.824) 5.363 4.806 ( -1.985 1.135 1.988) 3.030 4.843 ( -2.478 -1.275 2.971) 4.074 4.869 ( -1.564 0.346 4.203) 4.498 4.947 ( -0.364 0.025 -0.926) 0.995 5.054 ( -1.622 -5.558 1.877) 6.087 5.131 ( 0.701 -5.871 0.138) 5.915 5.514 ( -0.677 -0.067 -1.737) 1.866 5.559 ( 0.839 -0.034 -0.949) 1.267 5.738 ( -0.861 4.031 1.424) 4.361 6.077 ( 1.531 -2.819 -7.983) 8.603 6.392 ( -0.095 0.943 0.422) 1.037 6.412 ( 0.058 0.799 -0.131) 0.811 8.585 ( 1.125 1.536 1.864) 2.664 8.748 ( -0.235 -2.523 -2.977) 3.909 13.073 ( -2.373 0.398 2.073) 3.176 13.136 ( -0.666 -1.841 1.051) 2.222 13.261 ( 1.210 1.692 -0.846) 2.246 13.310 ( 1.338 0.501 -1.083) 1.793 13.604 ( -1.173 3.732 -2.154) 4.466 13.639 ( 1.329 1.815 -1.272) 2.584 13.773 ( 1.586 -1.229 1.899) 2.762 13.812 ( -2.625 -1.655 0.272) 3.115 14.208 ( -0.012 2.160 0.576) 2.236 14.253 ( 0.707 0.523 -0.319) 0.935 ======================= Grid point 82 (40/92) ======================= q-point: ( 0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 5.031 10.217 10.678) 15.612 1.087 ( 1.960 15.605 9.903) 18.585 1.416 ( 1.255 4.152 -7.049) 8.276 1.544 ( 2.596 -1.987 -7.588) 8.262 1.595 ( 4.927 4.104 -0.890) 6.474 1.854 ( 3.709 -3.395 -3.266) 5.996 1.886 ( -0.260 -2.005 6.078) 6.406 1.993 ( 0.600 -0.134 4.803) 4.842 2.057 ( -0.701 4.833 2.977) 5.719 2.199 ( -2.946 -5.763 -1.643) 6.678 2.298 ( -2.037 3.056 -4.561) 5.856 2.340 ( 2.519 -4.877 0.037) 5.489 2.399 ( -3.665 -6.865 3.916) 8.712 2.562 ( -2.160 -4.448 0.137) 4.947 2.708 ( -3.227 -1.595 1.835) 4.040 2.797 ( -5.362 -0.171 -0.037) 5.365 2.872 ( 0.485 -6.126 1.696) 6.374 2.934 ( -1.520 1.452 -1.028) 2.340 2.968 ( -3.007 1.248 -0.035) 3.256 3.099 ( 1.400 4.000 -1.933) 4.658 3.293 ( -0.237 1.497 -4.854) 5.085 3.338 ( -0.237 -1.315 0.666) 1.493 3.536 ( -2.828 2.379 0.733) 3.768 3.581 ( -4.693 0.235 2.088) 5.142 3.697 ( -0.290 -0.212 -1.351) 1.398 3.715 ( 4.053 0.966 -2.126) 4.677 3.862 ( -0.584 1.336 2.489) 2.884 3.888 ( 1.947 1.959 -3.491) 4.452 3.907 ( 5.037 2.561 0.648) 5.688 3.977 ( 3.122 -0.326 2.362) 3.928 4.121 ( -1.530 -5.497 6.056) 8.321 4.220 ( 2.253 -0.065 -5.451) 5.898 4.245 ( 1.840 -0.589 -0.138) 1.937 4.343 ( -0.131 -4.075 -4.703) 6.225 4.521 ( -0.004 3.863 1.011) 3.993 4.557 ( 0.801 4.474 0.398) 4.563 4.796 ( -1.622 1.728 1.850) 3.007 4.846 ( -1.444 0.439 2.695) 3.089 4.929 ( 4.236 -1.421 2.794) 5.270 4.964 ( 3.465 -0.339 -0.881) 3.591 5.070 ( 1.719 -3.898 1.857) 4.648 5.191 ( 4.992 -8.460 1.135) 9.889 5.484 ( -0.612 0.019 -1.581) 1.695 5.555 ( 0.241 0.183 -1.162) 1.201 5.728 ( -2.440 3.782 1.739) 4.825 5.995 ( -0.954 -0.755 -6.663) 6.773 6.392 ( -0.539 0.908 0.459) 1.151 6.408 ( -0.476 0.792 0.032) 0.924 8.625 ( 0.806 0.551 1.621) 1.893 8.699 ( -1.189 -1.020 -2.452) 2.910 13.081 ( 0.445 0.871 1.729) 1.987 13.150 ( 0.930 -1.532 0.840) 1.979 13.285 ( 2.383 1.435 -0.299) 2.798 13.332 ( 3.005 0.013 -1.639) 3.423 13.543 ( -3.412 3.388 -1.216) 4.960 13.654 ( 1.539 1.958 -0.799) 2.616 13.740 ( -4.384 -1.115 -0.779) 4.591 13.814 ( -0.264 -1.929 2.147) 2.899 14.215 ( 0.172 2.183 0.447) 2.235 14.259 ( 0.394 0.599 -0.285) 0.772 ======================= Grid point 83 (41/92) ======================= q-point: ( 0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 3.304 6.546 8.748) 11.414 1.256 ( 4.901 7.675 8.914) 12.743 1.381 ( 5.431 6.240 -6.514) 10.530 1.518 ( 6.213 -0.436 -7.585) 9.815 1.644 ( 3.406 -2.886 -3.714) 5.807 1.876 ( 1.658 -4.600 -1.795) 5.209 1.943 ( -0.859 -3.112 4.623) 5.638 2.037 ( 0.069 3.338 4.804) 5.850 2.086 ( -1.723 2.045 0.588) 2.738 2.133 ( -1.686 -3.526 -1.981) 4.381 2.247 ( -1.362 2.186 -0.432) 2.612 2.325 ( 1.031 -2.069 -0.848) 2.462 2.423 ( -2.248 -2.810 3.221) 4.829 2.548 ( 0.737 -5.850 0.913) 5.966 2.683 ( -2.829 -1.989 2.882) 4.502 2.720 ( -4.126 -1.108 0.391) 4.290 2.809 ( -8.321 -1.247 -0.277) 8.419 2.883 ( -2.642 -6.450 0.175) 6.973 2.933 ( -2.816 3.713 0.502) 4.687 3.111 ( 1.219 3.659 -0.464) 3.885 3.241 ( 2.270 2.232 -6.053) 6.838 3.342 ( -1.328 2.279 2.442) 3.595 3.514 ( -0.583 -0.422 -1.032) 1.258 3.538 ( -2.219 0.212 1.223) 2.542 3.658 ( -1.589 0.962 -2.053) 2.768 3.767 ( 4.944 0.305 -2.169) 5.407 3.878 ( 0.711 1.868 0.165) 2.006 3.909 ( 3.556 1.682 -0.827) 4.019 3.978 ( 1.690 -0.708 -0.472) 1.892 4.011 ( 1.113 1.797 -2.099) 2.979 4.134 ( -2.747 -4.614 3.263) 6.284 4.188 ( -1.130 0.544 0.044) 1.255 4.246 ( 0.795 -4.970 -2.913) 5.815 4.336 ( 3.251 3.220 -1.371) 4.776 4.536 ( 0.237 3.133 0.172) 3.147 4.562 ( -0.221 2.434 0.407) 2.478 4.808 ( -0.188 3.006 2.827) 4.130 4.848 ( -0.162 0.522 0.370) 0.660 5.006 ( 3.316 -0.298 -0.341) 3.347 5.056 ( 6.544 -3.840 0.969) 7.649 5.163 ( 5.325 -2.173 3.852) 6.922 5.289 ( 5.233 -8.425 0.228) 9.921 5.462 ( -0.683 0.130 -0.431) 0.818 5.545 ( -0.245 0.401 -0.388) 0.610 5.703 ( -2.546 3.756 1.353) 4.735 5.908 ( -2.062 -0.013 -4.518) 4.966 6.384 ( -0.992 0.796 0.277) 1.302 6.398 ( -0.746 0.539 0.021) 0.920 8.614 ( -1.601 1.280 -1.510) 2.546 8.694 ( 0.997 -1.478 0.808) 1.957 13.116 ( 1.156 1.079 1.835) 2.422 13.176 ( 1.143 -1.017 0.607) 1.646 13.319 ( 1.721 1.971 -0.350) 2.640 13.368 ( 3.882 -0.422 -2.143) 4.454 13.480 ( -2.689 1.685 -0.773) 3.266 13.642 ( -3.214 -1.729 -0.771) 3.730 13.686 ( -0.164 2.878 0.361) 2.905 13.821 ( -1.575 -1.468 1.935) 2.894 14.224 ( 0.556 1.776 0.092) 1.863 14.259 ( 0.140 0.561 -0.461) 0.739 ======================= Grid point 84 (42/92) ======================= q-point: ( 0.33 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 1.830 1.582 -0.034) 2.419 1.378 ( 6.394 3.133 -2.044) 7.408 1.497 ( 5.102 8.602 5.524) 11.426 1.578 ( 5.597 3.050 -1.118) 6.471 1.648 ( 3.787 -8.355 -3.132) 9.693 1.856 ( -2.916 -2.671 1.144) 4.116 1.965 ( -0.360 -0.668 -0.948) 1.214 2.036 ( -1.669 -2.416 -0.827) 3.051 2.061 ( -2.682 3.848 -2.384) 5.262 2.099 ( -0.101 -0.167 1.094) 1.112 2.240 ( -0.703 -0.855 4.285) 4.426 2.380 ( 3.771 -0.160 -0.917) 3.884 2.395 ( -1.826 -1.975 0.906) 2.838 2.563 ( -1.647 -5.272 1.280) 5.669 2.661 ( -3.697 -3.775 0.358) 5.296 2.678 ( -7.426 -0.487 2.826) 7.961 2.707 ( 2.242 -3.693 -0.110) 4.321 2.813 ( -5.869 -7.300 2.002) 9.579 2.893 ( -1.894 5.496 -1.157) 5.927 3.111 ( -0.826 2.629 0.019) 2.756 3.246 ( 5.452 2.835 -5.753) 8.417 3.354 ( -0.517 7.553 1.801) 7.782 3.474 ( -0.941 -2.862 -2.623) 3.995 3.540 ( -0.016 0.427 1.973) 2.018 3.613 ( -1.239 1.131 -1.632) 2.341 3.819 ( 4.039 -0.985 -1.963) 4.598 3.891 ( 0.606 1.718 -0.245) 1.839 3.955 ( 0.883 -0.505 -0.690) 1.229 3.967 ( 2.200 1.445 -1.484) 3.022 4.011 ( 2.213 -0.124 -2.359) 3.237 4.107 ( -3.200 -2.349 1.897) 4.399 4.170 ( -1.801 -3.776 1.296) 4.380 4.277 ( 2.859 0.864 0.777) 3.086 4.365 ( 1.499 4.552 -0.958) 4.887 4.513 ( -1.800 1.027 -0.244) 2.087 4.581 ( 1.190 0.766 0.249) 1.437 4.835 ( -0.925 4.304 2.702) 5.166 4.860 ( 1.396 0.055 0.294) 1.428 5.043 ( 2.589 0.653 -1.841) 3.244 5.169 ( 4.698 -5.366 2.612) 7.595 5.290 ( 4.196 -1.729 3.053) 5.470 5.347 ( 3.142 -4.480 -1.645) 5.714 5.454 ( -1.050 -0.863 1.004) 1.690 5.542 ( -0.258 0.406 0.689) 0.840 5.688 ( -0.016 3.587 0.379) 3.607 5.827 ( -2.795 0.030 -2.882) 4.015 6.369 ( -1.035 0.696 0.116) 1.252 6.385 ( -0.695 0.304 -0.167) 0.777 8.576 ( -0.930 1.997 -0.956) 2.402 8.715 ( 0.590 -2.205 0.251) 2.297 13.150 ( 0.201 1.177 1.944) 2.281 13.204 ( 1.102 -0.551 1.250) 1.755 13.325 ( -0.544 3.489 0.226) 3.538 13.409 ( 3.489 -1.021 -1.578) 3.963 13.439 ( -0.849 0.312 -1.481) 1.735 13.594 ( -2.020 -2.044 0.670) 2.950 13.693 ( 0.327 2.728 -0.357) 2.770 13.806 ( -2.170 -0.726 0.927) 2.469 14.234 ( 0.813 1.084 -0.297) 1.387 14.254 ( 0.063 0.496 -0.731) 0.886 ======================= Grid point 85 (43/92) ======================= q-point: ( 0.44 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 1.348 -0.452 0.100) 1.425 1.451 ( 5.803 3.233 -2.130) 6.976 1.510 ( -2.983 1.721 -1.975) 3.970 1.671 ( 0.439 -3.496 1.729) 3.924 1.721 ( 7.247 1.229 -0.346) 7.359 1.812 ( -3.387 0.356 -1.200) 3.611 1.922 ( -2.539 -0.428 0.967) 2.751 1.974 ( 1.351 0.288 -3.139) 3.429 2.048 ( 0.109 1.330 -1.312) 1.872 2.096 ( -1.538 0.228 1.584) 2.220 2.292 ( 0.185 -1.085 2.649) 2.868 2.332 ( -3.327 0.932 -0.660) 3.518 2.458 ( 2.929 -1.880 1.911) 3.970 2.547 ( -1.699 -5.605 1.889) 6.154 2.581 ( -3.144 -2.636 0.348) 4.117 2.647 ( -2.262 -2.824 0.999) 3.754 2.714 ( -0.708 -8.837 -1.964) 9.080 2.800 ( -0.997 -1.316 5.954) 6.178 2.849 ( -0.479 5.600 -2.551) 6.172 3.094 ( -0.967 2.516 -0.520) 2.745 3.250 ( 3.416 0.797 -6.539) 7.420 3.332 ( -1.007 6.858 -3.387) 7.715 3.471 ( 1.818 -0.698 0.672) 2.060 3.569 ( -1.347 0.417 0.949) 1.700 3.598 ( 1.487 1.992 2.527) 3.545 3.859 ( 2.677 -2.336 -0.385) 3.574 3.891 ( -0.014 2.500 -0.564) 2.563 3.962 ( 1.958 1.733 -2.225) 3.433 3.980 ( 0.791 -1.616 0.154) 1.806 4.048 ( 3.118 -0.820 -0.364) 3.244 4.074 ( -3.172 -0.376 0.742) 3.279 4.163 ( -0.929 -3.848 1.493) 4.231 4.315 ( -0.401 3.616 1.308) 3.867 4.370 ( 1.171 3.235 -0.835) 3.540 4.502 ( 0.597 -0.728 0.559) 1.095 4.590 ( -0.409 -0.383 0.003) 0.560 4.838 ( -2.012 4.318 2.170) 5.235 4.891 ( 1.258 -0.305 1.092) 1.693 5.047 ( 0.860 0.776 -2.429) 2.691 5.255 ( 0.626 -5.843 4.591) 7.457 5.325 ( 1.653 -0.756 -3.487) 3.932 5.396 ( 2.315 -1.762 0.883) 3.040 5.429 ( -3.598 -0.830 1.250) 3.898 5.553 ( 0.147 0.420 1.294) 1.368 5.712 ( 1.883 2.520 -1.000) 3.301 5.761 ( -1.190 -0.148 -1.057) 1.599 6.356 ( -0.497 0.844 0.025) 0.980 6.374 ( -0.276 0.390 -0.364) 0.601 8.568 ( 0.375 2.108 0.393) 2.177 8.714 ( -0.185 -2.247 -0.978) 2.458 13.165 ( -0.815 1.189 1.903) 2.387 13.233 ( -0.134 -0.697 1.953) 2.077 13.328 ( -0.445 4.342 2.227) 4.900 13.425 ( 1.124 0.213 -0.879) 1.443 13.441 ( 2.182 -1.194 -1.240) 2.779 13.582 ( -0.703 -2.345 0.700) 2.547 13.682 ( -0.230 2.279 -1.707) 2.856 13.774 ( -1.783 -0.274 -0.714) 1.940 14.241 ( 0.682 0.449 -0.661) 1.051 14.245 ( -0.003 0.698 -0.939) 1.170 ======================= Grid point 86 (44/92) ======================= q-point: (-0.44 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -5.630 2.311 -0.710) 6.127 1.383 ( -6.808 0.747 -3.540) 7.710 1.571 ( 6.484 2.204 2.641) 7.340 1.658 ( -0.567 0.133 0.228) 0.626 1.700 ( -2.237 0.517 -2.754) 3.586 1.865 ( 7.036 -1.361 -0.659) 7.196 1.911 ( -3.292 -3.341 2.329) 5.237 1.978 ( 0.834 -1.136 -2.531) 2.897 2.019 ( -0.063 2.718 -2.461) 3.667 2.105 ( 1.708 1.535 0.048) 2.297 2.255 ( -1.228 3.456 -1.920) 4.140 2.325 ( -5.047 -0.647 7.429) 9.005 2.470 ( -3.148 1.653 -1.371) 3.811 2.565 ( 2.063 -4.095 2.270) 5.117 2.590 ( 1.959 -5.594 -0.270) 5.933 2.610 ( -1.184 -7.806 -0.471) 7.909 2.677 ( -2.298 -4.025 0.704) 4.688 2.838 ( 2.778 8.401 -2.506) 9.197 2.858 ( 0.388 -3.809 4.081) 5.596 3.070 ( 0.216 2.479 -1.555) 2.934 3.254 ( 2.548 -0.498 -1.471) 2.984 3.277 ( 1.146 1.841 -5.055) 5.501 3.514 ( 1.857 0.702 0.701) 2.106 3.535 ( -1.644 2.382 -1.336) 3.188 3.677 ( 1.700 1.741 4.587) 5.193 3.868 ( -1.065 0.214 -2.111) 2.374 3.894 ( 1.288 -0.879 0.054) 1.560 3.969 ( 0.965 0.077 -1.844) 2.083 4.000 ( 0.809 0.285 0.130) 0.868 4.017 ( -3.215 0.385 0.564) 3.287 4.082 ( 1.705 -0.510 -1.072) 2.078 4.165 ( -0.874 -1.219 1.177) 1.907 4.309 ( -1.086 3.750 1.750) 4.278 4.391 ( 1.316 0.951 0.152) 1.631 4.534 ( 1.301 -1.546 0.880) 2.204 4.574 ( -0.973 -0.251 0.194) 1.024 4.817 ( -3.270 4.218 2.275) 5.802 4.919 ( 0.134 -0.468 1.547) 1.621 5.021 ( -0.991 -0.539 -1.580) 1.941 5.269 ( -2.701 -1.183 -4.083) 5.037 5.289 ( -2.956 -3.919 2.796) 5.649 5.392 ( -2.003 -2.794 0.987) 3.577 5.420 ( 0.053 0.160 0.793) 0.811 5.574 ( 0.309 0.031 1.816) 1.843 5.675 ( -1.986 1.629 -1.433) 2.941 5.813 ( 5.733 0.111 -0.151) 5.736 6.355 ( 0.288 1.158 0.010) 1.193 6.370 ( 0.370 0.814 -0.431) 0.993 8.595 ( 1.426 1.502 1.557) 2.591 8.688 ( -0.839 -1.399 -2.172) 2.716 13.170 ( -1.414 0.996 2.420) 2.975 13.241 ( -1.462 -0.762 2.081) 2.654 13.348 ( -0.416 3.612 1.515) 3.939 13.450 ( 2.078 0.033 -0.428) 2.122 13.454 ( 0.350 -0.325 -0.015) 0.478 13.593 ( 0.701 -2.219 2.447) 3.377 13.652 ( 0.166 1.998 -3.306) 3.866 13.737 ( -0.720 -0.321 -2.192) 2.330 14.232 ( -0.235 0.937 -0.902) 1.322 14.243 ( 0.563 0.357 -0.906) 1.125 ======================= Grid point 87 (45/92) ======================= q-point: (-0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( -9.088 7.975 -0.510) 12.102 1.220 ( -9.289 7.309 -1.432) 11.906 1.626 ( -0.983 -0.776 0.937) 1.564 1.676 ( 1.060 -1.487 0.740) 1.971 1.733 ( 3.312 0.157 -1.393) 3.597 1.846 ( -4.499 -1.448 1.409) 4.932 1.887 ( -3.080 1.673 -1.153) 3.691 1.963 ( -1.365 2.200 -0.191) 2.596 2.028 ( 5.929 -2.497 -2.541) 6.917 2.134 ( 1.675 3.120 -0.602) 3.592 2.259 ( 2.732 2.275 0.304) 3.568 2.319 ( -3.861 -1.181 4.683) 6.184 2.385 ( -2.284 1.188 -1.457) 2.958 2.538 ( -3.244 -7.639 -1.797) 8.492 2.605 ( -0.672 -5.266 1.912) 5.643 2.666 ( 3.500 -6.170 1.638) 7.280 2.716 ( 5.823 -0.877 1.429) 6.060 2.867 ( 2.603 8.510 -1.311) 8.995 2.892 ( 0.687 -5.038 0.957) 5.174 3.080 ( 1.951 0.508 -0.827) 2.179 3.239 ( 1.620 1.222 -3.009) 3.629 3.321 ( 4.684 -1.608 0.137) 4.954 3.484 ( -1.640 3.238 -2.176) 4.232 3.547 ( 0.140 0.630 1.349) 1.496 3.737 ( 0.201 1.309 3.283) 3.540 3.812 ( -1.664 0.728 -3.120) 3.610 3.891 ( -0.067 -1.495 -2.975) 3.330 3.919 ( -4.357 -2.298 0.140) 4.928 3.978 ( 0.140 3.058 -1.934) 3.621 4.029 ( -0.619 0.497 0.364) 0.873 4.069 ( -0.975 0.782 -2.121) 2.462 4.187 ( 2.200 -0.413 2.022) 3.017 4.320 ( -0.089 3.256 0.753) 3.343 4.408 ( -0.115 0.256 1.055) 1.092 4.526 ( -1.477 -0.105 -0.965) 1.767 4.586 ( 0.471 -0.935 1.164) 1.566 4.796 ( -2.530 3.152 2.857) 4.950 4.918 ( -2.948 2.371 2.283) 4.419 4.997 ( -0.549 -4.189 -0.124) 4.227 5.141 ( -5.930 0.091 -4.054) 7.184 5.243 ( -6.755 -2.010 2.633) 7.524 5.345 ( -4.224 -8.043 -0.607) 9.105 5.452 ( 2.141 1.884 1.498) 3.222 5.591 ( -1.277 -1.572 1.799) 2.709 5.654 ( 1.328 3.622 -0.790) 3.938 5.917 ( 7.072 -1.265 -0.327) 7.192 6.363 ( 0.675 1.282 -0.060) 1.450 6.377 ( 0.982 1.254 -0.194) 1.604 8.627 ( -0.640 0.451 -0.735) 1.074 8.659 ( 1.502 -0.048 -0.212) 1.518 13.170 ( -2.485 0.161 3.151) 4.017 13.232 ( -2.332 -1.278 1.746) 3.181 13.335 ( -1.558 1.968 -0.680) 2.601 13.420 ( -1.699 -0.429 -2.384) 2.958 13.505 ( 1.945 2.456 3.223) 4.495 13.619 ( 1.539 1.411 -3.880) 4.406 13.670 ( 3.166 -1.508 3.554) 4.993 13.707 ( 0.522 -0.621 -2.280) 2.420 14.219 ( -0.367 1.365 -0.641) 1.552 14.242 ( 0.597 0.358 -0.934) 1.165 ======================= Grid point 88 (46/92) ======================= q-point: (-0.22 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( -7.590 13.258 3.373) 15.644 1.060 ( -8.608 13.982 -0.692) 16.434 1.547 ( -12.236 12.649 -3.018) 17.856 1.623 ( -0.435 -1.022 -0.465) 1.204 1.747 ( 1.265 -2.026 1.022) 2.598 1.831 ( -2.128 -5.753 0.568) 6.160 1.852 ( -0.083 6.347 0.223) 6.351 1.910 ( -4.659 -1.109 0.415) 4.807 2.127 ( 1.740 -0.807 -0.346) 1.949 2.149 ( 6.069 -1.870 0.154) 6.353 2.279 ( -0.562 -1.814 -1.304) 2.304 2.349 ( 2.048 -3.892 3.289) 5.491 2.409 ( 4.121 -0.885 1.184) 4.378 2.472 ( -2.138 -5.569 -1.044) 6.056 2.634 ( 1.108 -4.352 3.298) 5.572 2.754 ( 4.869 -4.442 1.996) 6.887 2.810 ( 2.358 -5.021 0.344) 5.558 2.892 ( 2.396 7.605 -0.433) 7.985 2.915 ( 2.478 -4.240 -1.535) 5.145 3.100 ( 2.546 2.224 -1.610) 3.744 3.250 ( 2.685 2.281 -2.419) 4.274 3.403 ( 3.870 -2.211 1.366) 4.662 3.446 ( 0.127 3.410 -1.385) 3.683 3.543 ( -2.156 0.726 1.010) 2.489 3.741 ( 0.403 0.395 -2.895) 2.950 3.782 ( -0.702 1.121 1.450) 1.963 3.837 ( -0.817 0.712 -3.884) 4.033 3.860 ( -3.562 -1.144 1.052) 3.886 3.958 ( -1.481 -0.633 -1.835) 2.442 3.981 ( -1.700 0.318 -2.619) 3.138 4.034 ( -2.580 2.035 1.568) 3.642 4.242 ( 0.717 -2.840 -0.070) 2.930 4.314 ( 0.554 4.384 -1.133) 4.561 4.408 ( -0.783 1.680 0.315) 1.880 4.491 ( -1.912 0.692 0.582) 2.115 4.591 ( 0.423 1.252 -1.835) 2.262 4.798 ( -2.327 0.896 4.345) 5.010 4.887 ( -3.334 2.865 1.887) 4.784 4.966 ( -4.532 -3.364 -0.662) 5.682 5.036 ( -3.181 -1.084 1.032) 3.515 5.142 ( -7.281 -1.923 1.042) 7.602 5.258 ( -5.991 -8.569 0.379) 10.463 5.504 ( 2.555 0.890 0.587) 2.768 5.575 ( -1.739 -1.370 0.349) 2.241 5.687 ( 2.225 3.946 0.477) 4.555 6.028 ( 7.517 -3.110 -1.847) 8.342 6.374 ( 0.697 1.183 0.077) 1.376 6.394 ( 1.104 1.215 -0.031) 1.642 8.585 ( -1.203 1.624 -1.919) 2.786 8.709 ( 2.829 -1.140 0.839) 3.164 13.154 ( -4.014 -1.182 3.270) 5.310 13.200 ( -3.587 -2.091 1.209) 4.325 13.295 ( -1.493 1.794 -1.385) 2.714 13.362 ( -1.870 0.229 -2.332) 2.998 13.580 ( 2.433 3.804 3.498) 5.712 13.611 ( 2.886 1.479 -4.152) 5.268 13.691 ( 1.331 -0.693 -2.083) 2.567 13.770 ( 2.542 -1.711 3.852) 4.923 14.208 ( -0.312 1.674 -0.238) 1.720 14.242 ( 0.669 0.416 -0.845) 1.155 ======================= Grid point 89 (47/92) ======================= q-point: (-0.11 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -7.420 17.003 1.257) 18.594 0.958 ( -4.214 18.146 3.854) 19.024 1.379 ( -7.971 19.312 6.216) 21.798 1.582 ( -1.185 3.006 -4.276) 5.359 1.741 ( -0.182 -4.492 -5.253) 6.914 1.817 ( -1.557 1.972 3.979) 4.706 1.844 ( -2.080 -2.549 0.335) 3.306 1.876 ( 0.537 -2.197 1.280) 2.599 2.111 ( -1.870 -1.195 0.327) 2.243 2.243 ( 0.046 -0.151 -2.764) 2.768 2.256 ( 4.010 -9.077 -0.293) 9.928 2.403 ( -0.142 -9.159 3.782) 9.910 2.441 ( -1.891 -2.155 1.036) 3.048 2.515 ( 6.099 -0.891 -0.305) 6.171 2.706 ( 2.641 -4.372 3.646) 6.275 2.795 ( -2.428 -5.813 -0.444) 6.316 2.861 ( 5.251 -1.835 1.584) 5.784 2.921 ( 1.302 4.769 -0.838) 5.014 2.946 ( 2.297 -2.013 -0.676) 3.128 3.128 ( 2.785 4.991 -2.234) 6.137 3.266 ( 2.795 2.427 -2.222) 4.318 3.433 ( -2.408 -3.988 -0.316) 4.669 3.477 ( 4.223 4.048 1.453) 6.028 3.553 ( 4.093 1.826 0.316) 4.493 3.733 ( 2.792 0.150 -3.216) 4.262 3.759 ( -3.998 -0.141 0.099) 4.002 3.785 ( -2.185 1.529 -1.799) 3.217 3.838 ( -0.385 1.281 1.199) 1.796 3.888 ( -2.541 -0.289 -0.096) 2.559 3.962 ( -1.125 0.009 1.989) 2.285 4.028 ( -1.026 -1.585 2.268) 2.951 4.175 ( -3.537 -0.387 -3.733) 5.157 4.332 ( 1.508 1.592 -0.824) 2.342 4.387 ( 0.125 0.628 -3.108) 3.173 4.491 ( -1.336 2.475 4.009) 4.897 4.565 ( 0.805 3.735 -3.924) 5.477 4.811 ( -2.469 -0.275 4.582) 5.212 4.859 ( -1.482 1.056 0.211) 1.832 4.883 ( -5.873 -1.052 3.298) 6.818 4.994 ( -3.743 0.067 -0.239) 3.751 5.069 ( -3.605 -5.650 2.612) 7.193 5.169 ( -4.785 -6.489 0.161) 8.064 5.538 ( 0.925 0.270 -1.040) 1.418 5.551 ( -0.379 -0.622 -0.176) 0.749 5.723 ( 1.022 4.116 1.009) 4.359 6.098 ( 5.516 -4.357 -5.594) 8.984 6.386 ( 0.384 0.994 0.309) 1.109 6.408 ( 0.692 0.810 -0.222) 1.088 8.562 ( -0.031 2.350 0.088) 2.352 8.754 ( 2.339 -2.686 -1.065) 3.717 13.112 ( -4.954 -1.282 2.604) 5.741 13.154 ( -2.899 -2.001 0.913) 3.639 13.265 ( -0.229 1.961 -1.302) 2.365 13.318 ( -0.611 0.643 -1.547) 1.783 13.616 ( 3.002 2.092 -3.822) 5.291 13.638 ( 0.645 2.851 0.666) 2.998 13.712 ( 2.479 -0.111 1.251) 2.779 13.825 ( -0.074 -1.783 1.936) 2.633 14.204 ( -0.154 1.930 0.252) 1.952 14.245 ( 0.752 0.449 -0.601) 1.062 ======================= Grid point 90 (48/92) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -1.350 16.283 0.151) 16.340 1.305 ( 2.825 12.213 1.862) 12.673 1.444 ( -5.815 -7.777 0.595) 9.728 1.565 ( 0.469 -5.162 -2.490) 5.750 1.627 ( 3.622 5.326 -6.628) 9.242 1.748 ( 1.945 -8.141 -8.254) 11.755 1.874 ( -1.513 6.352 1.729) 6.755 1.950 ( 1.148 3.250 3.254) 4.740 2.048 ( 0.691 -3.871 3.124) 5.022 2.086 ( -2.603 -7.668 2.805) 8.570 2.281 ( -0.454 1.197 3.993) 4.193 2.294 ( 0.206 -1.181 2.813) 3.058 2.449 ( -2.392 4.098 -1.279) 4.915 2.523 ( -0.035 -3.304 -3.044) 4.493 2.667 ( -0.810 -2.187 3.813) 4.469 2.700 ( -0.259 -4.593 6.301) 7.801 2.901 ( -2.615 1.129 0.351) 2.870 2.927 ( 0.346 -1.299 1.562) 2.061 3.084 ( 2.100 8.401 -2.756) 9.087 3.202 ( 2.606 0.873 -5.160) 5.847 3.282 ( -0.308 -3.336 -2.488) 4.174 3.300 ( 0.253 -2.692 -1.887) 3.297 3.617 ( 3.055 1.577 1.392) 3.710 3.646 ( 5.081 -1.472 -0.017) 5.290 3.674 ( -5.399 2.090 -0.833) 5.849 3.699 ( -2.747 -0.675 -1.249) 3.092 3.845 ( 3.729 2.711 1.650) 4.897 3.885 ( 0.696 0.377 2.133) 2.275 3.905 ( 1.725 1.175 2.037) 2.916 3.958 ( 1.220 -3.667 3.585) 5.271 4.000 ( -2.563 3.789 -0.250) 4.581 4.091 ( 0.249 -4.706 0.919) 4.801 4.317 ( -0.285 0.804 -6.006) 6.067 4.337 ( 1.441 -1.440 -6.588) 6.896 4.593 ( -1.472 4.481 4.406) 6.455 4.628 ( -0.714 2.111 2.567) 3.399 4.804 ( -0.711 -1.849 1.665) 2.588 4.808 ( -0.720 -1.798 0.296) 1.960 4.896 ( 0.106 2.404 0.572) 2.473 4.950 ( 0.591 -2.543 -0.591) 2.677 4.970 ( -1.444 1.271 1.295) 2.319 5.036 ( -1.179 -4.402 0.414) 4.576 5.519 ( -1.402 0.738 0.423) 1.640 5.541 ( -0.875 -1.424 1.149) 2.028 5.847 ( 0.891 6.835 -2.099) 7.206 5.980 ( 1.464 -6.544 -4.715) 8.197 6.410 ( 0.043 0.783 0.192) 0.808 6.419 ( 0.142 -0.092 -0.053) 0.177 8.627 ( 0.560 2.810 0.574) 2.922 8.688 ( 0.065 -3.388 -0.969) 3.524 13.085 ( -1.402 0.841 1.861) 2.477 13.105 ( -0.921 -1.321 1.561) 2.242 13.291 ( 1.095 1.348 -1.186) 2.103 13.309 ( 1.144 -0.558 -1.269) 1.798 13.661 ( -0.194 1.988 -1.848) 2.721 13.670 ( 1.287 0.976 -1.378) 2.123 13.758 ( 0.033 -0.143 1.377) 1.385 13.776 ( -2.276 -1.812 0.700) 2.992 14.244 ( 0.302 1.438 0.341) 1.509 14.259 ( 0.523 -0.088 0.065) 0.534 ======================= Grid point 91 (49/92) ======================= q-point: ( 0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 2.151 12.013 3.767) 12.772 1.366 ( -3.718 -4.895 0.004) 6.147 1.396 ( 5.145 10.943 2.750) 12.401 1.544 ( 3.332 1.726 -6.815) 7.780 1.627 ( 3.961 -0.119 -7.453) 8.441 1.707 ( 3.035 -11.003 -4.491) 12.266 1.879 ( -0.052 3.988 2.603) 4.763 2.008 ( 1.599 -6.120 0.843) 6.381 2.071 ( -2.113 0.449 4.880) 5.337 2.115 ( 0.961 -0.770 3.273) 3.497 2.318 ( -0.516 0.296 1.310) 1.439 2.334 ( 0.569 0.273 4.010) 4.060 2.372 ( -3.847 4.556 -1.668) 6.192 2.461 ( -2.804 -5.090 -1.603) 6.028 2.685 ( -2.051 -0.301 2.643) 3.359 2.725 ( -3.306 -4.906 2.906) 6.591 2.851 ( -4.265 2.649 1.723) 5.308 2.909 ( -4.454 -2.872 0.414) 5.315 3.083 ( 0.460 8.377 -1.333) 8.494 3.194 ( 1.435 5.232 -2.220) 5.861 3.239 ( -0.099 -6.549 -2.993) 7.202 3.290 ( 0.893 -3.829 -1.112) 4.086 3.576 ( -3.859 1.858 -0.352) 4.297 3.595 ( -4.155 0.314 0.484) 4.195 3.698 ( 1.530 0.610 -1.491) 2.222 3.718 ( 2.865 -0.837 -1.288) 3.250 3.892 ( -0.641 2.005 2.486) 3.258 3.913 ( 1.521 0.681 0.083) 1.668 3.969 ( 2.625 2.030 1.210) 3.532 4.012 ( 3.490 4.899 0.372) 6.026 4.024 ( 0.460 -4.283 4.407) 6.162 4.135 ( 1.942 -7.092 -0.267) 7.358 4.251 ( 1.163 2.115 -5.724) 6.212 4.297 ( 3.802 -2.189 -5.879) 7.336 4.608 ( -1.625 4.425 2.849) 5.508 4.641 ( -1.930 2.400 2.906) 4.234 4.807 ( -0.101 -0.494 1.188) 1.291 4.821 ( 1.094 -2.510 0.162) 2.743 4.926 ( 1.933 1.830 1.459) 3.035 4.966 ( 3.607 -0.559 -1.900) 4.115 5.012 ( 3.724 -0.783 2.405) 4.502 5.061 ( 3.704 -4.966 0.911) 6.262 5.500 ( -1.422 1.538 0.474) 2.148 5.536 ( -1.204 -1.868 1.037) 2.453 5.825 ( -0.793 5.889 -1.783) 6.204 5.934 ( -0.554 -4.989 -4.463) 6.717 6.409 ( -0.464 0.709 0.172) 0.865 6.416 ( -0.428 0.010 -0.067) 0.433 8.643 ( 0.360 1.272 0.587) 1.446 8.672 ( -0.478 -1.605 -1.040) 1.971 13.100 ( 0.637 1.120 1.793) 2.208 13.123 ( 0.852 -1.297 1.466) 2.135 13.309 ( 2.585 1.069 -1.037) 2.984 13.326 ( 2.694 -0.628 -1.582) 3.187 13.607 ( -3.375 3.228 -1.693) 4.968 13.660 ( -1.489 -1.772 -1.736) 2.893 13.740 ( -1.689 1.475 0.996) 2.453 13.776 ( -0.326 -1.999 1.798) 2.708 14.252 ( 0.148 1.443 0.237) 1.470 14.266 ( 0.221 -0.056 0.022) 0.229 ======================= Grid point 92 (50/92) ======================= q-point: ( 0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 1.185 5.730 4.810) 7.574 1.330 ( -0.853 -1.055 1.233) 1.833 1.509 ( 6.767 2.314 -4.675) 8.544 1.550 ( 4.448 7.517 0.951) 8.787 1.589 ( 4.195 -1.590 -8.302) 9.436 1.742 ( 3.520 -8.711 -0.922) 9.440 1.931 ( 1.644 2.879 3.888) 5.110 2.029 ( 0.009 -5.638 2.094) 6.015 2.099 ( 0.331 2.612 0.986) 2.812 2.134 ( -1.947 -0.186 0.189) 1.965 2.277 ( -4.263 1.761 0.279) 4.621 2.304 ( -2.493 -0.235 0.972) 2.686 2.402 ( 2.398 0.126 1.933) 3.083 2.443 ( 1.372 -4.355 0.118) 4.567 2.651 ( -4.066 -0.316 0.451) 4.103 2.680 ( -3.763 -3.242 -0.174) 4.970 2.776 ( -7.767 0.363 2.033) 8.037 2.808 ( -8.001 -2.194 2.314) 8.613 3.073 ( -0.638 8.227 -0.414) 8.262 3.177 ( -2.055 0.358 -0.388) 2.122 3.250 ( 4.924 0.707 -2.233) 5.452 3.319 ( 2.239 -3.860 1.919) 4.858 3.522 ( -1.129 1.628 -2.327) 3.056 3.548 ( -0.937 -0.330 -1.574) 1.862 3.680 ( -0.392 1.935 -2.653) 3.307 3.734 ( 1.560 -3.080 -1.953) 3.966 3.917 ( 0.389 2.065 2.392) 3.184 3.935 ( 1.873 0.545 -0.863) 2.133 3.985 ( -0.685 1.253 -1.420) 2.014 4.034 ( -1.125 -2.431 -0.993) 2.857 4.068 ( 2.250 0.814 0.240) 2.405 4.125 ( -0.196 -4.045 -0.998) 4.171 4.263 ( 4.222 4.347 -0.807) 6.114 4.340 ( 4.644 -2.622 -1.340) 5.499 4.606 ( -1.535 3.072 1.591) 3.785 4.619 ( -3.835 2.438 2.011) 4.969 4.824 ( 0.754 -0.737 0.265) 1.087 4.843 ( 1.102 -1.258 0.784) 1.847 4.995 ( 4.132 0.074 1.991) 4.587 5.016 ( 4.552 -0.883 -1.779) 4.966 5.131 ( 6.569 -0.462 2.829) 7.167 5.165 ( 6.783 -4.017 1.237) 7.979 5.485 ( -1.476 2.072 1.102) 2.772 5.528 ( -1.359 -1.995 1.442) 2.812 5.788 ( -1.362 4.802 -1.499) 5.211 5.871 ( -1.541 -3.512 -3.624) 5.277 6.398 ( -0.936 0.597 -0.009) 1.110 6.404 ( -0.851 0.009 -0.156) 0.865 8.638 ( -0.721 1.310 -0.776) 1.685 8.665 ( 0.218 -1.466 0.106) 1.485 13.138 ( 1.248 1.125 1.797) 2.460 13.158 ( 1.276 -0.978 1.304) 2.070 13.346 ( 3.177 0.878 -1.255) 3.527 13.358 ( 3.595 -0.547 -2.017) 4.158 13.529 ( -3.947 3.238 -0.952) 5.193 13.593 ( -3.841 -3.142 -0.867) 5.038 13.741 ( -0.306 2.696 1.164) 2.952 13.787 ( -0.842 -2.096 1.696) 2.825 14.254 ( 0.124 1.217 -0.146) 1.232 14.266 ( 0.002 -0.011 -0.289) 0.289 ======================= Grid point 93 (51/92) ======================= q-point: ( 0.33 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -0.721 3.967 -0.497) 4.063 1.363 ( 0.396 -5.745 1.356) 5.916 1.543 ( 4.081 2.772 -2.816) 5.681 1.602 ( 4.756 -1.600 -1.445) 5.222 1.681 ( 5.973 6.493 2.047) 9.057 1.782 ( 1.591 -4.491 0.457) 4.787 1.994 ( -0.229 4.017 2.609) 4.795 2.039 ( -0.277 2.438 -2.863) 3.771 2.081 ( -1.994 -2.055 0.649) 2.936 2.096 ( 0.396 -2.658 -1.948) 3.319 2.235 ( -1.672 2.113 2.460) 3.649 2.310 ( 0.952 -4.350 1.689) 4.763 2.432 ( -0.511 2.541 -0.835) 2.723 2.472 ( 0.494 -2.891 1.164) 3.156 2.586 ( -2.757 -3.227 -1.251) 4.425 2.596 ( -3.102 -4.148 -3.487) 6.245 2.690 ( -6.725 1.776 5.593) 8.926 2.735 ( -6.324 -2.610 6.369) 9.347 3.044 ( -1.444 7.677 -1.447) 7.945 3.135 ( -1.940 -1.213 -0.573) 2.358 3.306 ( 4.274 3.605 -3.696) 6.702 3.384 ( 2.328 -3.998 0.326) 4.638 3.485 ( 0.606 3.724 -2.516) 4.535 3.535 ( 0.930 -1.370 -0.095) 1.658 3.642 ( -0.064 2.744 -2.669) 3.829 3.730 ( 1.090 -5.905 -1.959) 6.316 3.941 ( 0.645 1.539 -0.432) 1.724 3.945 ( 0.478 0.213 -0.467) 0.701 3.975 ( 0.331 0.105 0.914) 0.977 4.001 ( -1.108 -1.666 0.665) 2.108 4.096 ( 1.752 1.157 -1.225) 2.431 4.122 ( 0.876 -1.324 -1.291) 2.046 4.329 ( 3.150 3.823 0.980) 5.049 4.389 ( 2.782 -1.677 -0.859) 3.360 4.570 ( -4.367 3.454 1.779) 5.845 4.595 ( -1.686 0.473 1.029) 2.031 4.834 ( 0.821 -0.515 -0.599) 1.139 4.869 ( -0.168 -2.101 1.762) 2.747 5.066 ( 3.602 1.203 -1.239) 3.994 5.091 ( 3.969 -1.859 2.513) 5.052 5.261 ( 5.802 -0.405 1.118) 5.923 5.283 ( 5.763 -2.269 0.633) 6.226 5.474 ( -2.019 2.449 1.946) 3.723 5.525 ( -1.356 -2.196 2.014) 3.274 5.754 ( -0.360 3.259 -1.598) 3.647 5.807 ( -1.709 -2.059 -3.067) 4.070 6.381 ( -0.922 0.569 -0.023) 1.084 6.388 ( -0.798 -0.072 -0.143) 0.814 8.619 ( -0.444 2.459 -0.592) 2.568 8.668 ( 0.105 -2.573 -0.082) 2.576 13.173 ( 0.384 1.124 1.854) 2.202 13.191 ( 0.811 -0.801 1.634) 1.992 13.377 ( 2.331 1.527 -1.255) 3.056 13.393 ( 3.318 -0.634 -1.938) 3.895 13.469 ( -2.546 2.995 -0.142) 3.934 13.538 ( -2.525 -3.599 0.606) 4.438 13.743 ( -0.561 2.417 0.214) 2.491 13.783 ( -1.311 -1.688 0.622) 2.226 14.253 ( 0.246 0.822 -0.508) 0.998 14.261 ( 0.077 0.068 -0.620) 0.628 ======================= Grid point 94 (52/92) ======================= q-point: ( 0.44 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 0.549 2.830 0.006) 2.882 1.361 ( -0.395 -7.817 -0.894) 7.878 1.579 ( 1.918 4.939 -0.215) 5.303 1.648 ( 0.308 -1.567 0.758) 1.768 1.777 ( 4.786 2.523 -0.321) 5.419 1.805 ( 0.506 -0.806 0.162) 0.965 1.943 ( -4.616 2.129 -1.213) 5.226 1.974 ( -0.732 -0.387 -5.234) 5.299 2.085 ( 1.436 1.892 -1.810) 2.987 2.107 ( 1.572 -0.018 0.985) 1.855 2.274 ( 0.022 0.973 5.365) 5.452 2.348 ( -0.002 -3.702 0.003) 3.702 2.408 ( 1.301 1.245 0.324) 1.830 2.471 ( -1.551 -3.040 1.354) 3.671 2.527 ( -2.492 -2.284 0.134) 3.383 2.533 ( -2.915 -4.338 -0.995) 5.320 2.678 ( -2.729 2.432 4.927) 6.135 2.740 ( -2.910 -3.463 6.867) 8.223 3.013 ( 0.545 8.119 -1.939) 8.365 3.114 ( -0.206 -1.709 0.354) 1.757 3.276 ( 1.130 2.581 -8.525) 8.978 3.345 ( -1.002 -3.585 -6.788) 7.742 3.517 ( 2.353 3.696 0.909) 4.475 3.562 ( 0.829 -1.176 0.254) 1.461 3.648 ( 2.387 3.702 1.356) 4.609 3.749 ( 2.041 -6.412 0.714) 6.767 3.946 ( 0.324 1.240 0.319) 1.320 3.959 ( 0.912 -0.256 0.973) 1.358 3.977 ( -0.995 0.641 0.735) 1.393 4.009 ( -0.710 -2.227 1.541) 2.800 4.101 ( 1.203 1.679 -2.000) 2.876 4.123 ( 1.528 -0.799 -1.844) 2.525 4.378 ( 1.814 3.084 0.406) 3.601 4.416 ( 1.779 -0.191 -1.069) 2.084 4.526 ( -3.280 3.493 2.288) 5.310 4.577 ( -1.953 -1.207 1.178) 2.580 4.840 ( 0.701 -0.987 -0.555) 1.331 4.870 ( -1.400 -2.943 0.952) 3.395 5.098 ( 1.093 3.870 -0.265) 4.030 5.167 ( 1.289 -3.372 3.125) 4.775 5.321 ( 1.966 0.677 -2.117) 2.967 5.351 ( 1.695 -2.285 -0.330) 2.864 5.463 ( -2.305 3.426 2.871) 5.029 5.530 ( -1.084 -2.824 2.522) 3.938 5.745 ( 0.999 1.024 -2.340) 2.743 5.756 ( 0.396 -0.290 -2.137) 2.192 6.371 ( -0.330 0.648 0.144) 0.741 6.378 ( -0.244 -0.027 -0.007) 0.246 8.614 ( 0.224 2.638 0.031) 2.647 8.666 ( -0.006 -2.701 -0.430) 2.735 13.191 ( -0.714 1.413 1.991) 2.544 13.216 ( -0.440 -1.124 2.028) 2.360 13.406 ( 2.076 2.489 0.740) 3.324 13.425 ( 2.569 -0.602 -1.055) 2.842 13.440 ( -0.917 2.628 -0.273) 2.796 13.518 ( -1.227 -4.118 1.027) 4.418 13.725 ( -0.794 2.066 -1.431) 2.636 13.758 ( -1.267 -1.342 -1.139) 2.169 14.251 ( 0.292 0.541 -0.726) 0.951 14.256 ( 0.250 0.163 -0.837) 0.889 ======================= Grid point 95 (53/92) ======================= q-point: (-0.44 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -1.227 3.015 0.077) 3.256 1.333 ( -1.441 -4.561 -1.358) 4.972 1.609 ( 1.875 1.944 1.071) 2.905 1.638 ( -1.756 -0.688 0.468) 1.943 1.776 ( -1.461 4.262 -3.472) 5.688 1.836 ( 2.843 -2.044 -1.136) 3.681 1.882 ( -1.883 0.134 0.503) 1.954 1.917 ( 0.661 -3.159 -3.420) 4.703 2.102 ( 1.585 3.845 -1.238) 4.339 2.136 ( 2.729 0.864 -1.099) 3.066 2.318 ( -3.394 1.422 5.684) 6.771 2.327 ( -3.143 2.430 3.802) 5.499 2.438 ( 0.359 -5.189 -0.438) 5.220 2.459 ( -1.932 -5.793 -0.289) 6.113 2.499 ( 0.639 0.105 0.127) 0.660 2.522 ( 0.822 -2.100 1.011) 2.471 2.692 ( -1.514 3.527 4.096) 5.613 2.771 ( -1.665 -4.349 5.274) 7.036 3.025 ( 2.563 9.195 -1.140) 9.613 3.127 ( 0.857 1.722 -0.720) 2.054 3.207 ( 2.230 -2.666 -5.913) 6.859 3.251 ( -0.341 -3.911 -6.661) 7.732 3.549 ( 1.451 1.875 -0.794) 2.500 3.563 ( 0.589 0.421 -1.421) 1.595 3.717 ( 1.953 2.723 2.751) 4.336 3.787 ( 1.094 -4.494 0.447) 4.647 3.931 ( -2.063 1.536 -0.659) 2.655 3.952 ( -2.589 -0.945 -0.852) 2.885 3.996 ( 0.779 0.281 3.038) 3.149 4.019 ( 0.221 -1.421 1.329) 1.958 4.103 ( 1.606 1.833 -1.658) 2.948 4.132 ( 1.480 -1.358 -0.896) 2.199 4.389 ( -0.534 3.676 -0.066) 3.715 4.424 ( 0.660 0.700 -0.714) 1.198 4.524 ( -0.600 1.341 2.405) 2.818 4.562 ( -1.470 -1.335 1.480) 2.476 4.835 ( -0.976 -0.662 -0.187) 1.194 4.862 ( 0.323 -3.686 -0.102) 3.701 5.091 ( -2.471 5.903 1.062) 6.487 5.196 ( -2.122 -4.934 3.223) 6.264 5.278 ( -3.268 1.479 -3.109) 4.747 5.324 ( -3.259 -3.096 -1.407) 4.710 5.471 ( -0.789 3.597 2.826) 4.642 5.541 ( -1.209 -3.197 2.569) 4.276 5.728 ( 1.687 3.416 -2.480) 4.546 5.788 ( 4.396 -2.526 -1.508) 5.290 6.374 ( 0.382 0.762 0.215) 0.879 6.380 ( 0.460 0.165 0.064) 0.493 8.626 ( 0.746 1.682 0.487) 1.904 8.658 ( -0.118 -1.655 -0.833) 1.856 13.195 ( -1.676 1.462 2.297) 3.197 13.222 ( -1.737 -1.219 2.261) 3.101 13.412 ( -0.753 2.452 -1.795) 3.131 13.440 ( 0.466 -0.848 -1.852) 2.090 13.472 ( 2.292 2.348 3.508) 4.804 13.536 ( 1.217 -3.572 3.353) 5.048 13.690 ( -0.270 1.877 -3.044) 3.587 13.721 ( -0.550 -1.289 -2.720) 3.060 14.247 ( 0.238 0.559 -0.795) 1.000 14.251 ( 0.362 0.213 -0.920) 1.011 ======================= Grid point 96 (54/92) ======================= q-point: (-0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( -2.902 6.943 -0.059) 7.526 1.299 ( -0.885 -0.374 -1.075) 1.442 1.598 ( -4.278 0.368 1.770) 4.644 1.655 ( 0.538 -4.023 1.520) 4.335 1.739 ( 2.036 4.347 -3.615) 6.010 1.839 ( 2.094 -3.890 -2.226) 4.947 1.863 ( -2.598 2.295 1.932) 3.968 1.940 ( 2.326 -4.767 0.679) 5.347 2.088 ( -1.063 5.957 -1.889) 6.339 2.162 ( 1.291 -1.179 -1.699) 2.438 2.304 ( -3.371 1.698 3.180) 4.935 2.320 ( -5.419 0.937 5.886) 8.055 2.407 ( -0.775 0.156 -2.636) 2.752 2.431 ( -1.101 -2.660 -0.931) 3.026 2.530 ( 2.334 -1.477 0.797) 2.875 2.563 ( 3.613 -4.089 1.673) 5.707 2.725 ( 0.831 2.158 1.709) 2.875 2.796 ( -0.356 -4.757 1.768) 5.088 3.049 ( 1.759 9.765 -0.980) 9.970 3.135 ( 3.439 4.764 -2.160) 6.260 3.200 ( 1.933 -5.099 -1.898) 5.774 3.245 ( 4.050 -6.021 -1.036) 7.330 3.540 ( -0.115 2.293 -2.027) 3.062 3.561 ( 0.291 0.191 -0.930) 0.993 3.758 ( 0.417 1.010 1.219) 1.637 3.785 ( -0.318 -1.984 -1.682) 2.621 3.887 ( -2.213 0.132 -0.224) 2.228 3.890 ( -3.309 -0.508 -0.585) 3.398 4.010 ( -1.449 0.959 -0.383) 1.779 4.029 ( -0.016 -0.555 -1.426) 1.530 4.104 ( 0.127 2.192 -0.796) 2.336 4.150 ( 1.196 -2.527 0.120) 2.798 4.386 ( -0.036 3.341 0.691) 3.411 4.426 ( 0.068 -0.105 0.251) 0.280 4.537 ( -0.697 1.653 1.293) 2.211 4.568 ( -0.364 -1.037 2.234) 2.490 4.817 ( -0.871 0.509 -0.001) 1.009 4.869 ( 0.281 -4.946 0.086) 4.955 5.047 ( -4.931 6.518 2.032) 8.422 5.148 ( -6.102 -1.606 -1.342) 6.451 5.189 ( -5.128 -1.642 2.230) 5.828 5.229 ( -6.136 -3.892 -1.393) 7.398 5.493 ( -0.144 2.478 2.430) 3.474 5.546 ( -1.408 -2.824 2.115) 3.799 5.749 ( 3.748 5.768 -1.923) 7.143 5.855 ( 5.676 -4.784 -1.526) 7.578 6.385 ( 0.695 0.893 0.040) 1.132 6.392 ( 0.883 0.209 0.022) 0.908 8.638 ( -0.116 0.698 -0.573) 0.910 8.652 ( 0.878 -0.629 -0.113) 1.085 13.183 ( -3.100 1.070 2.450) 4.094 13.207 ( -3.106 -1.301 2.082) 3.959 13.373 ( -1.380 1.867 -1.948) 3.030 13.404 ( -1.435 -1.299 -2.204) 2.933 13.560 ( 2.896 3.144 4.281) 6.050 13.618 ( 3.049 -2.476 3.357) 5.167 13.659 ( 1.204 1.306 -2.882) 3.386 13.687 ( 0.653 -1.374 -3.061) 3.418 14.241 ( 0.163 0.845 -0.765) 1.151 14.248 ( 0.488 0.118 -0.851) 0.988 ======================= Grid point 97 (55/92) ======================= q-point: (-0.22 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -1.911 11.030 1.469) 11.290 1.275 ( -0.280 5.199 -1.641) 5.459 1.560 ( -4.474 -2.126 4.296) 6.556 1.646 ( -2.750 -8.080 0.815) 8.574 1.720 ( 1.015 7.175 -5.521) 9.110 1.839 ( -2.430 4.987 2.075) 5.922 1.861 ( 1.602 -3.421 -2.376) 4.462 1.974 ( 0.279 -4.506 1.080) 4.642 2.039 ( -2.945 4.257 -0.189) 5.179 2.138 ( -1.636 -3.578 -1.136) 4.095 2.260 ( -3.266 1.246 1.234) 3.707 2.295 ( -3.721 -1.680 2.742) 4.918 2.409 ( 2.311 0.295 0.927) 2.508 2.420 ( 2.604 -0.977 -1.493) 3.156 2.595 ( 2.055 0.659 2.329) 3.175 2.657 ( 3.632 -5.302 1.135) 6.526 2.755 ( 2.490 0.443 1.478) 2.929 2.811 ( 2.982 -4.908 -0.824) 5.802 3.075 ( 2.233 10.338 -0.634) 10.595 3.183 ( 4.142 4.493 -1.414) 6.272 3.243 ( 3.610 -3.289 0.004) 4.884 3.298 ( 2.412 -7.013 0.037) 7.416 3.515 ( 0.026 2.803 -1.653) 3.254 3.547 ( -0.253 -0.567 -1.033) 1.205 3.750 ( 0.593 0.625 -2.949) 3.072 3.773 ( 0.718 -1.527 -0.028) 1.687 3.845 ( -2.541 0.730 0.827) 2.770 3.858 ( -1.976 0.118 0.344) 2.009 3.953 ( -3.194 0.664 -2.224) 3.949 3.977 ( -2.318 -1.206 -2.821) 3.845 4.089 ( -1.569 3.554 0.139) 3.887 4.165 ( -0.260 -4.257 0.037) 4.265 4.389 ( 0.370 2.938 -1.303) 3.235 4.424 ( -0.077 -0.597 -1.470) 1.589 4.540 ( -1.225 3.946 2.905) 5.051 4.591 ( -0.113 -0.985 2.353) 2.553 4.805 ( -1.116 0.657 0.581) 1.419 4.867 ( -1.256 -5.648 0.612) 5.818 4.979 ( -5.269 5.263 0.980) 7.512 5.032 ( -5.776 0.102 -0.265) 5.783 5.106 ( -6.817 -1.449 -0.119) 6.971 5.134 ( -5.609 -4.428 2.564) 7.593 5.518 ( -0.037 0.830 2.117) 2.274 5.543 ( -1.360 -1.722 1.499) 2.658 5.797 ( 4.201 6.938 -1.661) 8.279 5.931 ( 5.747 -6.483 -2.134) 8.922 6.396 ( 0.647 0.955 -0.069) 1.156 6.406 ( 0.804 0.001 -0.149) 0.817 8.624 ( -0.208 2.375 -0.893) 2.546 8.671 ( 1.221 -2.459 0.041) 2.745 13.149 ( -4.176 0.478 2.201) 4.745 13.167 ( -4.039 -1.375 1.566) 4.545 13.330 ( -1.236 1.708 -1.646) 2.675 13.356 ( -1.469 -0.878 -1.927) 2.577 13.640 ( 2.781 1.649 -3.162) 4.523 13.650 ( 2.255 2.562 2.075) 3.994 13.676 ( 1.989 -0.226 -1.168) 2.317 13.723 ( 2.356 -3.027 3.825) 5.417 14.237 ( 0.199 1.135 -0.531) 1.269 14.248 ( 0.517 -0.016 -0.685) 0.859 ======================= Grid point 98 (56/92) ======================= q-point: (-0.11 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -2.480 14.367 0.749) 14.599 1.265 ( 1.138 10.565 -0.577) 10.641 1.523 ( -6.172 -5.651 3.559) 9.094 1.597 ( -2.412 -7.160 -0.788) 7.596 1.666 ( 1.269 7.192 -6.657) 9.882 1.813 ( 0.534 -5.772 -6.692) 8.854 1.851 ( -0.123 8.122 2.851) 8.608 1.957 ( -3.899 7.064 1.486) 8.204 2.013 ( -0.092 -7.922 1.232) 8.018 2.106 ( -2.036 -7.585 0.819) 7.897 2.257 ( -0.194 0.675 2.119) 2.233 2.272 ( -2.818 -1.847 3.805) 5.082 2.456 ( 2.166 2.255 0.332) 3.144 2.495 ( 5.740 -1.300 -1.076) 5.983 2.634 ( -0.268 -2.157 4.078) 4.621 2.665 ( -2.223 -5.491 1.666) 6.154 2.859 ( 5.145 0.796 2.115) 5.620 2.886 ( 3.904 -2.112 1.230) 4.606 3.086 ( 1.218 9.880 -2.371) 10.233 3.215 ( 2.883 1.675 -3.917) 5.143 3.288 ( 2.463 -0.234 -1.890) 3.114 3.313 ( 0.092 -6.975 -0.436) 6.989 3.531 ( 3.798 1.977 -0.096) 4.283 3.560 ( 3.947 -1.000 -0.666) 4.126 3.750 ( 1.129 2.066 -0.740) 2.468 3.780 ( -3.876 0.783 -0.686) 4.013 3.808 ( -2.071 0.640 -1.448) 2.607 3.826 ( 1.768 -2.292 1.639) 3.326 3.893 ( -1.506 1.497 -0.183) 2.131 3.934 ( -1.115 -2.258 0.879) 2.668 4.054 ( -3.554 3.473 0.896) 5.049 4.128 ( -3.709 -3.703 -0.175) 5.244 4.369 ( 0.830 1.558 -3.882) 4.264 4.386 ( -0.137 -0.416 -4.505) 4.527 4.564 ( -1.330 4.465 4.665) 6.593 4.612 ( -0.319 0.419 1.984) 2.052 4.797 ( -1.046 -0.433 1.459) 1.847 4.838 ( -2.675 -3.786 0.408) 4.654 4.915 ( -2.771 2.960 0.057) 4.055 4.964 ( -2.665 -2.090 0.439) 3.415 5.013 ( -4.863 1.269 0.869) 5.100 5.074 ( -4.384 -4.158 1.526) 6.232 5.533 ( -1.041 -0.256 1.022) 1.481 5.537 ( -0.665 -0.673 1.502) 1.776 5.838 ( 2.970 7.280 -1.911) 8.092 5.982 ( 4.108 -7.243 -3.595) 9.070 6.405 ( 0.408 0.842 0.039) 0.936 6.415 ( 0.501 -0.136 -0.201) 0.557 8.618 ( 0.240 3.362 -0.148) 3.374 8.688 ( 0.925 -3.813 -0.455) 3.950 13.106 ( -3.573 0.396 1.942) 4.086 13.122 ( -3.110 -1.276 1.420) 3.649 13.300 ( -0.360 1.492 -1.374) 2.060 13.319 ( -0.492 -0.506 -1.492) 1.650 13.652 ( 2.800 1.609 -2.669) 4.190 13.672 ( 1.404 -0.067 -1.502) 2.057 13.728 ( 1.390 2.259 2.266) 3.489 13.780 ( 0.183 -2.757 2.149) 3.501 14.237 ( 0.291 1.323 -0.050) 1.356 14.251 ( 0.562 -0.089 -0.301) 0.644 ======================= Grid point 126 (57/92) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 0.039 0.000 16.485) 16.485 0.969 ( -0.528 0.000 17.234) 17.242 1.217 ( -1.137 0.000 -8.843) 8.916 1.381 ( -0.342 0.000 -10.868) 10.874 1.483 ( -3.952 0.000 24.164) 24.485 1.829 ( 5.882 0.000 -0.535) 5.906 1.950 ( 1.386 0.000 -0.235) 1.406 2.001 ( -2.397 0.000 -3.604) 4.328 2.139 ( 2.011 0.000 -3.811) 4.309 2.164 ( -1.414 0.000 -8.945) 9.057 2.235 ( -8.426 0.000 4.828) 9.711 2.375 ( 8.205 0.000 -8.883) 12.093 2.663 ( 0.014 0.000 2.592) 2.592 2.710 ( -1.499 0.000 -2.178) 2.644 2.729 ( 0.519 0.000 4.203) 4.235 2.808 ( -0.349 0.000 -3.132) 3.151 2.933 ( -6.696 0.000 -0.234) 6.700 2.951 ( 6.883 0.000 -1.962) 7.157 3.033 ( -1.103 0.000 4.048) 4.196 3.097 ( 1.358 0.000 -1.687) 2.166 3.311 ( -0.802 0.000 1.716) 1.894 3.344 ( 0.943 0.000 -1.579) 1.839 3.522 ( 0.507 0.000 4.466) 4.495 3.561 ( -4.405 0.000 1.550) 4.669 3.656 ( 1.654 0.000 -2.451) 2.957 3.682 ( 2.097 0.000 -5.036) 5.455 3.750 ( 3.728 0.000 1.891) 4.180 3.800 ( -4.663 0.000 -3.302) 5.714 3.904 ( -1.721 0.000 2.377) 2.934 3.938 ( 3.037 0.000 -0.882) 3.162 4.138 ( -0.209 0.000 2.705) 2.713 4.211 ( -1.676 0.000 -4.020) 4.356 4.368 ( 0.914 0.000 2.953) 3.091 4.408 ( 1.773 0.000 -0.956) 2.014 4.468 ( -1.079 0.000 0.006) 1.080 4.479 ( 6.288 0.000 -0.533) 6.311 4.819 ( -1.554 0.000 0.527) 1.640 4.830 ( -0.209 0.000 -0.350) 0.408 5.031 ( 0.647 0.000 1.842) 1.953 5.042 ( -10.371 0.000 0.311) 10.375 5.192 ( -5.822 0.000 3.874) 6.993 5.292 ( 10.690 0.000 -4.881) 11.751 5.490 ( 0.772 0.000 0.086) 0.777 5.508 ( 0.537 0.000 -1.423) 1.521 5.739 ( -2.570 0.000 2.135) 3.341 5.775 ( 1.510 0.000 -1.374) 2.042 6.386 ( -0.286 0.000 0.497) 0.574 6.389 ( 0.089 0.000 0.192) 0.212 8.645 ( 3.387 0.000 0.601) 3.440 8.662 ( -2.627 0.000 -0.927) 2.786 13.126 ( -5.115 0.000 2.583) 5.730 13.176 ( 3.013 0.000 -1.970) 3.600 13.228 ( -1.667 0.000 1.160) 2.031 13.255 ( 2.629 0.000 -1.278) 2.923 13.496 ( -2.350 0.000 2.538) 3.459 13.554 ( 2.263 0.000 -2.642) 3.479 13.834 ( -4.053 0.000 0.058) 4.054 13.838 ( 4.176 0.000 -0.255) 4.183 14.182 ( -1.123 0.000 1.458) 1.841 14.215 ( 1.388 0.000 -1.523) 2.061 ======================= Grid point 127 (58/92) ======================= q-point: ( 0.11 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 2.468 0.000 -11.527) 11.789 1.043 ( 1.793 0.000 12.536) 12.664 1.244 ( 1.452 0.000 13.425) 13.504 1.250 ( 2.600 0.000 -12.768) 13.030 1.694 ( 2.114 0.000 9.357) 9.593 1.884 ( 11.394 0.000 -18.623) 21.832 1.960 ( -0.230 0.000 1.210) 1.231 1.988 ( 1.843 0.000 6.818) 7.063 2.087 ( -0.747 0.000 -1.230) 1.439 2.126 ( -1.956 0.000 3.240) 3.785 2.203 ( -1.372 0.000 2.670) 3.002 2.427 ( 7.435 0.000 -4.552) 8.718 2.616 ( -8.700 0.000 0.162) 8.701 2.665 ( -3.393 0.000 2.876) 4.448 2.760 ( -1.138 0.000 -2.863) 3.080 2.772 ( -1.959 0.000 1.939) 2.757 2.834 ( -1.755 0.000 -0.032) 1.755 2.984 ( -1.069 0.000 0.294) 1.108 3.089 ( 2.732 0.000 1.941) 3.351 3.111 ( 2.783 0.000 -3.022) 4.108 3.243 ( -8.092 0.000 -0.724) 8.124 3.272 ( -6.120 0.000 -0.352) 6.130 3.524 ( -1.486 0.000 1.926) 2.433 3.604 ( 0.616 0.000 5.149) 5.186 3.647 ( -2.576 0.000 -1.726) 3.101 3.654 ( 1.504 0.000 -2.813) 3.189 3.751 ( 3.562 0.000 -3.302) 4.857 3.850 ( 3.000 0.000 2.380) 3.829 3.918 ( 4.018 0.000 0.948) 4.128 3.951 ( 0.467 0.000 -2.717) 2.757 4.144 ( -2.069 0.000 -2.092) 2.942 4.175 ( -0.050 0.000 3.777) 3.777 4.378 ( -5.926 0.000 0.182) 5.929 4.413 ( 2.708 0.000 -2.528) 3.704 4.436 ( 3.931 0.000 -3.418) 5.209 4.486 ( -2.863 0.000 -1.987) 3.485 4.795 ( -2.090 0.000 2.853) 3.536 4.836 ( 0.465 0.000 0.707) 0.846 5.035 ( 4.503 0.000 2.301) 5.057 5.048 ( -5.236 0.000 4.023) 6.603 5.210 ( 4.972 0.000 4.245) 6.538 5.374 ( 7.405 0.000 -6.735) 10.010 5.495 ( 0.155 0.000 -1.690) 1.697 5.499 ( 0.306 0.000 -0.422) 0.521 5.719 ( -3.001 0.000 2.143) 3.688 5.784 ( 1.095 0.000 -0.573) 1.236 6.383 ( -0.571 0.000 0.314) 0.651 6.390 ( -0.131 0.000 -0.052) 0.141 8.603 ( -2.828 0.000 -1.362) 3.139 8.699 ( 2.604 0.000 0.451) 2.643 13.111 ( -1.082 0.000 2.956) 3.147 13.215 ( -1.000 0.000 0.572) 1.152 13.229 ( 4.057 0.000 0.071) 4.057 13.285 ( 3.788 0.000 -2.068) 4.315 13.490 ( -1.844 0.000 2.349) 2.986 13.561 ( 2.097 0.000 -2.523) 3.281 13.751 ( -5.687 0.000 -0.015) 5.687 13.879 ( 0.876 0.000 0.140) 0.887 14.182 ( -0.527 0.000 1.129) 1.246 14.219 ( 1.265 0.000 -1.589) 2.031 ======================= Grid point 128 (59/92) ======================= q-point: ( 0.22 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 8.383 0.000 -14.456) 16.711 1.121 ( 9.650 0.000 -15.486) 18.246 1.303 ( 2.912 0.000 14.897) 15.179 1.408 ( 0.017 0.000 11.295) 11.295 1.762 ( 2.880 0.000 -0.434) 2.912 1.869 ( 13.474 0.000 -18.647) 23.006 1.940 ( -2.032 0.000 -3.919) 4.414 2.086 ( 0.279 0.000 1.299) 1.328 2.108 ( 2.273 0.000 4.914) 5.414 2.145 ( -3.440 0.000 4.938) 6.018 2.255 ( 2.989 0.000 3.729) 4.779 2.458 ( -10.052 0.000 1.517) 10.166 2.502 ( 4.542 0.000 -1.444) 4.766 2.627 ( -5.371 0.000 3.687) 6.515 2.705 ( -5.874 0.000 0.728) 5.919 2.712 ( -2.231 0.000 -0.977) 2.435 2.867 ( 3.535 0.000 -0.837) 3.633 2.958 ( -1.858 0.000 0.143) 1.864 3.082 ( -6.994 0.000 -1.166) 7.091 3.118 ( 2.457 0.000 -5.208) 5.758 3.132 ( -0.377 0.000 1.852) 1.890 3.175 ( -5.923 0.000 1.773) 6.182 3.550 ( 0.095 0.000 4.047) 4.048 3.585 ( -3.501 0.000 0.366) 3.520 3.586 ( -3.127 0.000 -2.207) 3.828 3.688 ( 0.935 0.000 3.337) 3.465 3.808 ( 6.472 0.000 -2.315) 6.874 3.883 ( -3.002 0.000 -4.774) 5.639 3.888 ( 2.181 0.000 -0.273) 2.198 4.045 ( 6.250 0.000 1.703) 6.478 4.112 ( 0.148 0.000 -1.017) 1.027 4.210 ( -0.085 0.000 2.733) 2.734 4.276 ( -2.700 0.000 -2.275) 3.531 4.407 ( -3.428 0.000 -0.700) 3.499 4.457 ( 4.946 0.000 -1.718) 5.236 4.469 ( 3.060 0.000 -2.334) 3.849 4.809 ( -0.897 0.000 2.982) 3.114 4.847 ( -1.936 0.000 3.095) 3.651 5.005 ( -1.190 0.000 -0.110) 1.195 5.152 ( 7.395 0.000 -0.347) 7.403 5.367 ( 3.848 0.000 7.344) 8.291 5.399 ( 4.902 0.000 -6.491) 8.134 5.485 ( 0.227 0.000 -0.411) 0.470 5.492 ( -0.265 0.000 -0.209) 0.338 5.685 ( -3.993 0.000 2.079) 4.501 5.799 ( 0.445 0.000 0.601) 0.747 6.372 ( -1.017 0.000 -0.040) 1.018 6.382 ( -0.443 0.000 -0.525) 0.687 8.547 ( -1.895 0.000 -1.267) 2.279 8.737 ( 1.714 0.000 -0.317) 1.743 13.139 ( 0.071 0.000 2.794) 2.795 13.215 ( 0.296 0.000 1.049) 1.090 13.269 ( 0.479 0.000 1.224) 1.315 13.362 ( 6.087 0.000 0.130) 6.089 13.472 ( -2.741 0.000 0.188) 2.747 13.564 ( 1.734 0.000 -2.745) 3.247 13.672 ( -3.726 0.000 0.676) 3.787 13.869 ( -2.090 0.000 -0.027) 2.090 14.191 ( 0.357 0.000 0.552) 0.657 14.222 ( 1.201 0.000 -1.594) 1.996 ======================= Grid point 129 (60/92) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 15.274 0.000 -6.042) 16.426 1.135 ( 12.318 0.000 -13.062) 17.954 1.462 ( -5.426 0.000 5.476) 7.709 1.546 ( 5.756 0.000 13.779) 14.932 1.795 ( -1.581 0.000 -3.847) 4.159 1.835 ( -1.834 0.000 -0.432) 1.885 1.896 ( 9.353 0.000 -12.034) 15.241 2.093 ( -0.120 0.000 -1.662) 1.666 2.128 ( 0.566 0.000 -2.715) 2.774 2.129 ( -3.522 0.000 1.328) 3.764 2.314 ( 0.437 0.000 0.586) 0.731 2.343 ( -4.451 0.000 -0.638) 4.496 2.540 ( 2.301 0.000 -0.811) 2.440 2.574 ( -6.642 0.000 4.695) 8.133 2.646 ( -2.605 0.000 2.603) 3.682 2.663 ( -3.410 0.000 0.417) 3.435 2.902 ( 0.850 0.000 0.429) 0.953 2.936 ( -0.603 0.000 -0.519) 0.795 3.005 ( 0.449 0.000 -2.516) 2.556 3.100 ( 2.677 0.000 -5.869) 6.451 3.116 ( -7.280 0.000 4.270) 8.439 3.124 ( -1.555 0.000 1.639) 2.260 3.511 ( -1.284 0.000 -3.252) 3.496 3.540 ( -3.699 0.000 1.797) 4.113 3.608 ( 0.731 0.000 4.756) 4.812 3.727 ( -0.620 0.000 3.109) 3.170 3.799 ( 0.753 0.000 -3.572) 3.651 3.912 ( 6.263 0.000 0.548) 6.287 3.919 ( 2.655 0.000 -1.762) 3.186 4.099 ( -0.180 0.000 -1.730) 1.740 4.115 ( 1.614 0.000 -0.115) 1.618 4.215 ( -2.523 0.000 0.529) 2.578 4.264 ( 1.935 0.000 0.465) 1.990 4.372 ( -0.717 0.000 0.485) 0.866 4.490 ( 2.459 0.000 -1.281) 2.773 4.532 ( 5.201 0.000 -0.679) 5.245 4.825 ( -0.276 0.000 2.070) 2.088 4.852 ( -4.233 0.000 7.242) 8.389 5.006 ( 2.592 0.000 -2.686) 3.733 5.240 ( 4.551 0.000 -3.144) 5.531 5.399 ( 4.196 0.000 -5.491) 6.911 5.460 ( 3.005 0.000 -0.787) 3.106 5.501 ( -1.996 0.000 6.040) 6.361 5.503 ( 0.696 0.000 1.618) 1.762 5.644 ( -3.234 0.000 2.205) 3.914 5.800 ( -1.997 0.000 1.173) 2.316 6.349 ( -1.304 0.000 -0.546) 1.413 6.364 ( -0.673 0.000 -1.088) 1.279 8.526 ( 0.132 0.000 0.286) 0.315 8.742 ( 0.287 0.000 -1.889) 1.911 13.165 ( -0.122 0.000 2.182) 2.185 13.257 ( 1.673 0.000 3.213) 3.622 13.291 ( -1.095 0.000 3.269) 3.447 13.412 ( -1.483 0.000 -2.669) 3.054 13.446 ( 2.623 0.000 1.193) 2.882 13.556 ( 1.416 0.000 -3.291) 3.583 13.645 ( -1.221 0.000 0.899) 1.517 13.817 ( -3.359 0.000 -0.972) 3.497 14.202 ( 0.448 0.000 -0.002) 0.448 14.223 ( 1.075 0.000 -1.542) 1.879 ======================= Grid point 130 (61/92) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 13.275 0.000 -6.980) 14.998 1.277 ( 17.283 0.000 1.162) 17.322 1.351 ( -12.086 0.000 1.231) 12.148 1.586 ( -13.239 0.000 -0.778) 13.262 1.798 ( 8.259 0.000 5.317) 9.822 1.871 ( 1.020 0.000 0.998) 1.427 1.877 ( -0.437 0.000 -3.632) 3.658 2.022 ( -4.005 0.000 -3.075) 5.050 2.086 ( -2.575 0.000 -0.751) 2.682 2.113 ( 4.252 0.000 -7.304) 8.451 2.288 ( -3.493 0.000 0.577) 3.540 2.305 ( 1.569 0.000 -2.058) 2.588 2.529 ( -6.650 0.000 7.167) 9.777 2.575 ( 1.381 0.000 0.815) 1.603 2.618 ( -1.755 0.000 -0.224) 1.769 2.652 ( 2.935 0.000 -2.678) 3.973 2.907 ( -1.392 0.000 1.279) 1.890 2.926 ( 1.170 0.000 -2.003) 2.320 3.003 ( -11.480 0.000 5.215) 12.609 3.029 ( 5.171 0.000 -2.103) 5.582 3.095 ( 5.069 0.000 -5.194) 7.258 3.132 ( -0.462 0.000 0.942) 1.049 3.490 ( 2.159 0.000 -2.017) 2.954 3.497 ( -4.235 0.000 1.921) 4.651 3.675 ( 1.682 0.000 3.906) 4.252 3.735 ( -1.693 0.000 1.611) 2.337 3.820 ( 2.375 0.000 0.828) 2.515 3.927 ( 1.284 0.000 -2.887) 3.160 4.017 ( 4.598 0.000 2.017) 5.021 4.081 ( 0.170 0.000 -0.896) 0.912 4.109 ( -1.644 0.000 -1.394) 2.155 4.152 ( -3.466 0.000 -1.243) 3.682 4.315 ( 2.883 0.000 0.649) 2.955 4.365 ( -0.983 0.000 -0.072) 0.986 4.531 ( 3.371 0.000 -0.067) 3.372 4.575 ( 0.033 0.000 -0.283) 0.285 4.860 ( -6.421 0.000 9.034) 11.083 4.864 ( 2.827 0.000 1.451) 3.178 5.027 ( 3.356 0.000 -1.831) 3.824 5.215 ( 0.690 0.000 -7.691) 7.722 5.421 ( 1.223 0.000 -0.242) 1.246 5.468 ( -0.725 0.000 -0.897) 1.153 5.535 ( 0.371 0.000 2.178) 2.210 5.539 ( 0.728 0.000 2.797) 2.890 5.658 ( 2.823 0.000 1.607) 3.248 5.752 ( -4.602 0.000 0.198) 4.606 6.325 ( -0.682 0.000 -0.435) 0.809 6.340 ( -0.453 0.000 -1.251) 1.331 8.558 ( 1.722 0.000 2.507) 3.041 8.703 ( -1.258 0.000 -3.522) 3.740 13.194 ( 0.549 0.000 2.778) 2.831 13.280 ( -3.575 0.000 1.648) 3.937 13.324 ( 1.070 0.000 4.164) 4.299 13.401 ( 2.731 0.000 -1.562) 3.146 13.475 ( 0.035 0.000 0.264) 0.266 13.538 ( 1.272 0.000 -3.877) 4.080 13.643 ( -0.519 0.000 1.637) 1.717 13.747 ( -2.714 0.000 -2.148) 3.461 14.204 ( -0.083 0.000 -0.049) 0.097 14.222 ( 0.800 0.000 -1.437) 1.644 ======================= Grid point 131 (62/92) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( -16.058 0.000 1.824) 16.161 1.314 ( -16.562 0.000 -0.006) 16.562 1.404 ( 12.157 0.000 -4.835) 13.083 1.566 ( 14.530 0.000 1.288) 14.587 1.837 ( -6.737 0.000 -0.813) 6.786 1.843 ( -1.966 0.000 2.927) 3.525 1.925 ( -3.179 0.000 -3.289) 4.574 1.965 ( 6.628 0.000 2.075) 6.945 2.011 ( -5.006 0.000 -1.366) 5.189 2.099 ( 1.290 0.000 -1.866) 2.268 2.258 ( -1.394 0.000 2.453) 2.821 2.321 ( 2.336 0.000 -1.711) 2.896 2.518 ( -4.675 0.000 6.908) 8.341 2.592 ( 0.234 0.000 0.655) 0.695 2.610 ( 1.860 0.000 -0.825) 2.034 2.683 ( 5.493 0.000 -5.088) 7.488 2.895 ( -6.504 0.000 4.939) 8.167 2.903 ( 0.834 0.000 -0.075) 0.837 2.944 ( 1.247 0.000 -0.030) 1.247 3.099 ( 4.823 0.000 -0.936) 4.913 3.108 ( -1.515 0.000 -2.370) 2.813 3.156 ( 7.749 0.000 -3.890) 8.671 3.447 ( -4.130 0.000 2.068) 4.619 3.522 ( 3.089 0.000 -0.620) 3.150 3.707 ( -2.621 0.000 -0.267) 2.635 3.746 ( 2.824 0.000 1.792) 3.345 3.855 ( -0.582 0.000 2.130) 2.208 3.896 ( -0.295 0.000 -4.235) 4.245 4.030 ( -5.955 0.000 0.393) 5.968 4.087 ( 0.491 0.000 0.823) 0.959 4.095 ( -1.762 0.000 -2.658) 3.189 4.108 ( 3.457 0.000 2.972) 4.559 4.335 ( -2.054 0.000 -0.743) 2.184 4.363 ( 2.804 0.000 -0.519) 2.851 4.542 ( -2.299 0.000 -1.068) 2.535 4.575 ( 0.836 0.000 0.069) 0.839 4.841 ( -4.757 0.000 5.105) 6.978 4.927 ( 1.583 0.000 2.207) 2.716 5.078 ( 1.712 0.000 3.068) 3.513 5.118 ( -0.374 0.000 -9.504) 9.512 5.416 ( -5.591 0.000 1.061) 5.690 5.423 ( -1.917 0.000 2.511) 3.159 5.569 ( 1.777 0.000 0.508) 1.848 5.584 ( 3.329 0.000 -2.072) 3.921 5.672 ( -4.175 0.000 -0.010) 4.175 5.749 ( 5.499 0.000 0.961) 5.582 6.322 ( 0.318 0.000 0.323) 0.454 6.327 ( 0.312 0.000 -0.684) 0.752 8.625 ( 1.966 0.000 3.571) 4.076 8.630 ( -2.128 0.000 -4.163) 4.676 13.237 ( -1.936 0.000 -0.677) 2.051 13.248 ( 1.628 0.000 3.885) 4.213 13.365 ( -1.267 0.000 2.669) 2.954 13.408 ( 0.017 0.000 -3.339) 3.339 13.473 ( -0.517 0.000 1.551) 1.634 13.516 ( 1.591 0.000 -3.866) 4.180 13.681 ( 1.735 0.000 3.659) 4.050 13.691 ( -0.790 0.000 -2.456) 2.580 14.200 ( -0.646 0.000 0.439) 0.781 14.218 ( 0.529 0.000 -1.221) 1.331 ======================= Grid point 132 (63/92) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -16.938 0.000 7.358) 18.467 0.994 ( -19.280 0.000 -2.285) 19.415 1.546 ( 4.485 0.000 0.108) 4.486 1.655 ( -14.382 0.000 4.669) 15.121 1.694 ( -1.408 0.000 0.777) 1.608 1.843 ( -3.558 0.000 -1.776) 3.977 1.850 ( 3.139 0.000 -9.123) 9.647 2.001 ( 4.220 0.000 8.084) 9.119 2.062 ( 2.932 0.000 2.421) 3.803 2.125 ( 0.455 0.000 1.421) 1.492 2.308 ( 5.054 0.000 2.062) 5.458 2.340 ( 2.126 0.000 -1.497) 2.600 2.514 ( -1.805 0.000 1.912) 2.629 2.616 ( 2.316 0.000 0.248) 2.329 2.663 ( 4.138 0.000 0.455) 4.163 2.703 ( 2.739 0.000 -3.207) 4.218 2.882 ( -2.958 0.000 4.890) 5.715 2.940 ( 3.851 0.000 -0.627) 3.902 2.969 ( 0.823 0.000 0.470) 0.948 3.059 ( 1.529 0.000 -3.750) 4.050 3.141 ( 1.280 0.000 -1.124) 1.703 3.229 ( 6.068 0.000 -4.646) 7.642 3.437 ( -0.011 0.000 3.593) 3.593 3.564 ( 2.005 0.000 0.239) 2.019 3.657 ( -2.215 0.000 -0.662) 2.312 3.791 ( 2.596 0.000 -2.745) 3.778 3.821 ( -1.735 0.000 -5.445) 5.715 3.855 ( -2.742 0.000 3.942) 4.802 3.943 ( -5.388 0.000 -0.556) 5.417 4.038 ( -3.191 0.000 1.390) 3.481 4.101 ( -0.608 0.000 1.309) 1.443 4.198 ( 3.596 0.000 2.454) 4.354 4.283 ( -3.234 0.000 -0.812) 3.334 4.389 ( 1.842 0.000 -1.842) 2.605 4.497 ( -1.286 0.000 -1.422) 1.917 4.528 ( -6.330 0.000 0.040) 6.330 4.845 ( 0.731 0.000 1.159) 1.370 4.942 ( -3.861 0.000 2.556) 4.630 5.019 ( 1.323 0.000 -7.455) 7.571 5.133 ( -1.477 0.000 5.455) 5.651 5.322 ( -7.450 0.000 2.283) 7.792 5.427 ( -0.162 0.000 1.343) 1.353 5.555 ( -1.615 0.000 -2.976) 3.386 5.595 ( 1.759 0.000 -1.333) 2.207 5.675 ( 3.392 0.000 -0.566) 3.438 5.831 ( 4.039 0.000 -1.272) 4.235 6.337 ( 1.128 0.000 0.308) 1.169 6.340 ( 0.832 0.000 0.947) 1.261 8.555 ( -1.861 0.000 -2.836) 3.392 8.688 ( 0.959 0.000 3.018) 3.166 13.206 ( -0.481 0.000 -1.433) 1.512 13.326 ( -1.172 0.000 4.675) 4.820 13.341 ( -2.189 0.000 -4.292) 4.818 13.347 ( 1.009 0.000 -0.289) 1.049 13.489 ( -0.734 0.000 2.621) 2.721 13.502 ( 1.445 0.000 -3.998) 4.251 13.668 ( 0.643 0.000 -1.516) 1.647 13.766 ( 3.132 0.000 3.632) 4.796 14.194 ( -1.027 0.000 0.997) 1.432 14.213 ( 0.423 0.000 -1.057) 1.138 ======================= Grid point 133 (64/92) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -17.081 0.000 6.568) 18.301 0.771 ( -13.751 0.000 15.387) 20.636 1.425 ( -23.744 0.000 20.523) 31.384 1.567 ( -6.544 0.000 -7.748) 10.142 1.622 ( 4.217 0.000 -8.703) 9.671 1.774 ( -2.856 0.000 0.443) 2.891 1.858 ( 3.156 0.000 -0.547) 3.203 2.118 ( 1.031 0.000 -0.564) 1.175 2.132 ( -1.317 0.000 3.123) 3.389 2.183 ( 9.225 0.000 1.127) 9.294 2.347 ( 2.133 0.000 -3.891) 4.437 2.446 ( 6.476 0.000 1.610) 6.673 2.489 ( -2.262 0.000 0.292) 2.281 2.665 ( 2.535 0.000 0.243) 2.546 2.709 ( 1.479 0.000 -1.229) 1.923 2.738 ( 5.560 0.000 -1.039) 5.657 2.870 ( -0.323 0.000 -1.119) 1.165 2.985 ( 2.639 0.000 -2.105) 3.375 2.999 ( -1.245 0.000 5.196) 5.343 3.098 ( 7.108 0.000 -2.666) 7.592 3.140 ( 0.892 0.000 -0.605) 1.078 3.246 ( 1.722 0.000 -2.643) 3.154 3.516 ( 3.235 0.000 3.683) 4.903 3.585 ( -1.118 0.000 1.356) 1.757 3.630 ( 1.018 0.000 -2.461) 2.663 3.768 ( -0.319 0.000 -3.563) 3.577 3.771 ( 0.185 0.000 0.149) 0.238 3.836 ( -3.764 0.000 -1.808) 4.175 3.865 ( -0.278 0.000 1.649) 1.672 4.041 ( -1.973 0.000 6.558) 6.848 4.076 ( -3.808 0.000 -0.743) 3.880 4.224 ( -3.315 0.000 0.972) 3.455 4.258 ( 1.681 0.000 -0.562) 1.772 4.392 ( 1.075 0.000 -1.045) 1.500 4.422 ( -5.616 0.000 1.429) 5.795 4.468 ( -0.392 0.000 -1.435) 1.487 4.863 ( 1.037 0.000 -1.237) 1.614 4.879 ( -3.638 0.000 -0.140) 3.641 5.015 ( 3.233 0.000 -0.717) 3.312 5.116 ( -6.303 0.000 3.044) 7.000 5.262 ( -5.061 0.000 5.494) 7.470 5.439 ( 0.826 0.000 -0.837) 1.176 5.513 ( 0.023 0.000 -1.855) 1.855 5.578 ( -0.170 0.000 -5.866) 5.868 5.724 ( 3.736 0.000 -1.453) 4.009 5.829 ( -1.179 0.000 -3.458) 3.653 6.364 ( 1.160 0.000 0.668) 1.339 6.364 ( 0.654 0.000 1.022) 1.213 8.525 ( 0.208 0.000 0.569) 0.606 8.717 ( -0.568 0.000 1.513) 1.616 13.189 ( 0.438 0.000 -1.675) 1.731 13.263 ( -1.618 0.000 -3.309) 3.684 13.283 ( -3.151 0.000 0.236) 3.160 13.391 ( -3.170 0.000 -1.460) 3.490 13.487 ( 4.425 0.000 -2.354) 5.012 13.503 ( -1.270 0.000 2.714) 2.996 13.682 ( 2.414 0.000 -0.047) 2.415 13.844 ( 1.966 0.000 2.288) 3.017 14.188 ( -1.246 0.000 1.357) 1.842 14.209 ( 0.654 0.000 -1.159) 1.330 ======================= Grid point 134 (65/92) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -3.211 0.000 18.738) 19.012 0.806 ( -6.665 0.000 20.219) 21.289 1.340 ( -18.694 0.000 28.367) 33.973 1.372 ( -4.523 0.000 -9.883) 10.869 1.538 ( 0.470 0.000 -11.922) 11.931 1.766 ( 1.672 0.000 0.182) 1.681 1.911 ( 1.466 0.000 2.577) 2.965 2.080 ( -3.560 0.000 -0.959) 3.687 2.143 ( 2.166 0.000 -3.241) 3.899 2.267 ( 0.250 0.000 -3.803) 3.811 2.340 ( 8.837 0.000 -10.407) 13.653 2.361 ( -9.531 0.000 0.801) 9.565 2.598 ( 5.201 0.000 2.068) 5.597 2.687 ( -0.219 0.000 2.114) 2.125 2.729 ( 2.023 0.000 -2.021) 2.860 2.815 ( 4.073 0.000 -1.306) 4.278 2.869 ( 4.067 0.000 -3.254) 5.209 2.988 ( -0.185 0.000 -0.420) 0.459 3.017 ( -2.688 0.000 4.882) 5.573 3.129 ( -1.969 0.000 -1.367) 2.397 3.236 ( 10.708 0.000 -0.544) 10.722 3.269 ( 3.125 0.000 0.301) 3.139 3.542 ( -4.391 0.000 0.911) 4.485 3.582 ( -0.849 0.000 3.534) 3.634 3.648 ( 3.099 0.000 -2.012) 3.695 3.719 ( 0.446 0.000 -5.045) 5.065 3.723 ( -2.125 0.000 -0.535) 2.191 3.882 ( 1.371 0.000 3.488) 3.748 3.883 ( 1.547 0.000 -0.440) 1.608 3.955 ( -6.794 0.000 -2.868) 7.374 4.110 ( 2.035 0.000 1.986) 2.844 4.261 ( 1.787 0.000 -3.746) 4.150 4.262 ( 4.686 0.000 8.369) 9.592 4.352 ( -4.035 0.000 2.951) 4.999 4.443 ( 2.238 0.000 1.450) 2.667 4.448 ( 0.229 0.000 -1.820) 1.835 4.836 ( -1.913 0.000 0.373) 1.949 4.849 ( -0.321 0.000 -1.786) 1.815 5.045 ( -4.286 0.000 1.427) 4.518 5.113 ( 9.027 0.000 -0.973) 9.080 5.240 ( -5.921 0.000 5.563) 8.125 5.345 ( -10.334 0.000 -8.746) 13.538 5.486 ( -0.337 0.000 -1.696) 1.729 5.508 ( 1.030 0.000 -1.169) 1.558 5.759 ( 2.622 0.000 -1.628) 3.086 5.765 ( -3.373 0.000 1.024) 3.525 6.380 ( 0.132 0.000 0.747) 0.759 6.382 ( 0.427 0.000 0.352) 0.554 8.574 ( 3.470 0.000 1.659) 3.846 8.705 ( -1.856 0.000 0.006) 1.856 13.174 ( 0.770 0.000 -2.641) 2.751 13.234 ( 1.141 0.000 -1.198) 1.654 13.235 ( -6.721 0.000 -1.074) 6.807 13.251 ( -4.965 0.000 0.754) 5.022 13.505 ( -1.988 0.000 2.490) 3.187 13.540 ( 3.272 0.000 -2.203) 3.944 13.754 ( 5.701 0.000 0.116) 5.702 13.871 ( -0.963 0.000 0.899) 1.318 14.185 ( -1.212 0.000 1.558) 1.974 14.210 ( 1.175 0.000 -1.392) 1.822 ======================= Grid point 135 (66/92) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 1.405 3.665 17.276) 17.716 1.037 ( -2.004 6.535 15.476) 16.919 1.233 ( -1.900 2.473 -9.128) 9.646 1.401 ( 1.067 1.530 -13.244) 13.375 1.559 ( -4.130 5.628 18.157) 19.452 1.808 ( 5.768 -2.773 -4.908) 8.065 1.958 ( -0.157 0.661 4.550) 4.600 1.986 ( -0.448 -0.144 0.518) 0.700 2.133 ( 0.198 -0.923 -2.179) 2.374 2.175 ( -0.562 1.009 -6.175) 6.282 2.249 ( -7.096 2.090 0.819) 7.442 2.349 ( 7.070 -2.660 -6.360) 9.875 2.638 ( 1.799 -2.851 1.376) 3.642 2.655 ( -3.365 -6.109 -0.419) 6.987 2.759 ( -0.782 2.170 3.061) 3.833 2.828 ( -1.575 1.711 -2.640) 3.519 2.928 ( 1.499 -1.084 1.095) 2.149 2.969 ( 2.899 0.307 -2.442) 3.802 2.982 ( 0.182 -3.154 0.519) 3.201 2.994 ( -1.514 -5.617 -0.748) 5.866 3.310 ( 0.665 -0.095 1.425) 1.576 3.339 ( -0.533 -0.690 -1.615) 1.835 3.568 ( -1.573 2.804 3.388) 4.670 3.583 ( -0.923 2.850 1.766) 3.478 3.656 ( -0.003 -0.271 -1.969) 1.987 3.685 ( 2.008 0.053 -3.405) 3.954 3.777 ( 4.755 1.872 1.207) 5.251 3.823 ( -4.470 1.979 -3.429) 5.971 3.915 ( -3.221 1.190 2.898) 4.493 3.950 ( 3.613 0.482 -0.092) 3.646 4.142 ( 1.495 0.589 1.683) 2.328 4.206 ( -1.694 -0.395 -4.039) 4.398 4.296 ( 1.500 -5.897 4.752) 7.721 4.390 ( 1.582 -3.421 -4.463) 5.841 4.463 ( 4.098 0.904 2.136) 4.709 4.483 ( -2.034 1.783 -0.047) 2.705 4.831 ( -1.640 1.038 1.086) 2.224 4.850 ( 0.210 1.455 -0.404) 1.525 4.987 ( -4.576 -3.370 2.702) 6.292 5.011 ( -1.033 -2.835 0.591) 3.075 5.180 ( -5.937 -2.242 3.168) 7.092 5.240 ( 7.268 -4.938 -1.894) 8.989 5.466 ( 0.328 -0.084 -0.455) 0.567 5.493 ( 0.781 -0.305 -2.429) 2.570 5.768 ( -2.327 2.088 3.693) 4.839 5.861 ( 2.021 5.262 -5.615) 7.956 6.390 ( -0.213 0.501 0.555) 0.777 6.396 ( 0.071 0.664 0.019) 0.668 8.630 ( 1.702 -0.511 2.275) 2.887 8.682 ( -1.077 0.882 -2.864) 3.184 13.124 ( -4.059 -0.142 2.566) 4.804 13.168 ( 1.468 -0.711 -1.332) 2.106 13.233 ( 0.269 0.601 1.026) 1.219 13.265 ( 1.597 0.769 -1.669) 2.435 13.526 ( -1.910 2.800 1.655) 3.772 13.571 ( 1.814 1.651 -2.199) 3.294 13.821 ( -0.057 -1.122 0.481) 1.222 13.832 ( -0.050 -0.737 -0.453) 0.866 14.194 ( -0.935 1.199 1.309) 2.007 14.222 ( 1.232 0.765 -1.274) 1.931 ======================= Grid point 136 (67/92) ======================= q-point: ( 0.11 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 1.980 4.603 -9.449) 10.695 1.092 ( 2.913 4.550 6.397) 8.374 1.232 ( 0.171 1.927 9.224) 9.425 1.312 ( 5.051 3.299 -4.467) 7.506 1.671 ( 0.175 -2.458 6.127) 6.604 1.854 ( 8.816 -3.319 -9.384) 13.296 2.003 ( 1.232 3.011 -0.814) 3.354 2.010 ( 1.954 2.263 1.553) 3.369 2.093 ( -2.232 1.170 -2.237) 3.370 2.131 ( -2.689 0.661 6.152) 6.746 2.184 ( -0.145 -0.962 0.123) 0.981 2.428 ( 7.293 -1.185 -2.781) 7.895 2.547 ( -8.547 -5.148 0.925) 10.020 2.649 ( -2.480 -2.369 1.463) 3.729 2.769 ( -3.112 0.905 1.732) 3.675 2.788 ( -0.995 -0.114 0.914) 1.355 2.870 ( -4.516 3.737 -1.344) 6.014 2.947 ( 0.119 -3.467 -0.667) 3.533 3.014 ( 2.797 -5.718 -1.620) 6.568 3.054 ( 3.095 -3.233 0.410) 4.495 3.219 ( -7.194 -0.928 -1.410) 7.389 3.333 ( -3.164 3.640 0.597) 4.860 3.533 ( -2.117 0.748 1.796) 2.876 3.615 ( -2.550 -0.361 1.036) 2.776 3.653 ( 2.271 1.348 -0.891) 2.787 3.675 ( -1.140 1.642 -0.082) 2.001 3.765 ( 3.110 1.467 -3.151) 4.665 3.866 ( 1.174 1.013 0.757) 1.726 3.912 ( 2.946 -0.272 1.074) 3.147 3.998 ( 2.514 3.191 -0.999) 4.184 4.118 ( -1.795 -1.006 -2.536) 3.265 4.209 ( 1.640 2.587 2.568) 3.997 4.318 ( -3.329 -4.982 -0.740) 6.037 4.358 ( 1.057 -5.943 -2.963) 6.724 4.449 ( 0.673 2.974 -1.781) 3.531 4.512 ( 0.525 1.714 -0.048) 1.793 4.805 ( -2.243 1.136 2.324) 3.424 4.859 ( 0.499 1.565 0.357) 1.681 5.018 ( 1.205 -2.309 2.192) 3.405 5.023 ( 0.576 -1.931 2.409) 3.141 5.179 ( 3.810 -2.786 2.692) 5.433 5.338 ( 6.869 -5.012 -3.486) 9.190 5.468 ( 0.287 -1.872 -0.029) 1.894 5.485 ( 1.038 1.094 -1.291) 1.986 5.749 ( -4.524 2.782 3.029) 6.114 5.842 ( 0.947 3.355 -2.479) 4.278 6.388 ( -0.621 0.523 0.333) 0.877 6.395 ( -0.199 0.487 -0.154) 0.548 8.611 ( -2.570 0.669 -1.723) 3.166 8.696 ( 2.230 -0.430 0.941) 2.459 13.118 ( -0.789 0.609 2.966) 3.129 13.191 ( 1.057 -1.369 0.491) 1.798 13.254 ( 2.393 1.368 -0.271) 2.770 13.285 ( 3.297 -0.007 -2.188) 3.957 13.500 ( -2.798 1.186 1.237) 3.281 13.589 ( 2.308 2.571 -1.281) 3.686 13.746 ( -5.428 -0.502 -0.007) 5.451 13.869 ( 0.949 -1.020 0.362) 1.440 14.194 ( -0.486 1.167 0.883) 1.542 14.226 ( 1.057 0.729 -1.385) 1.888 ======================= Grid point 137 (68/92) ======================= q-point: ( 0.22 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 8.242 5.043 -13.303) 16.442 1.152 ( 7.076 2.983 -10.241) 12.800 1.358 ( 3.993 5.365 12.557) 14.227 1.441 ( 1.571 3.042 7.857) 8.570 1.734 ( 2.731 -3.718 2.003) 5.029 1.872 ( 9.977 0.013 -13.494) 16.782 1.968 ( -1.249 2.724 -4.518) 5.421 2.031 ( -1.262 -3.808 -0.687) 4.070 2.085 ( -0.336 -1.560 3.878) 4.193 2.151 ( -0.576 0.021 2.838) 2.896 2.241 ( 0.922 -1.078 3.019) 3.336 2.412 ( -6.146 -3.828 2.241) 7.580 2.511 ( 2.003 -1.234 -0.835) 2.496 2.617 ( -2.141 -0.194 0.703) 2.262 2.718 ( -4.725 1.648 1.606) 5.255 2.755 ( -3.835 2.701 0.424) 4.710 2.815 ( -3.017 -3.194 1.285) 4.578 2.945 ( 1.047 -4.091 -1.830) 4.602 3.024 ( -0.690 -1.391 -1.470) 2.138 3.052 ( -2.312 -6.157 -0.872) 6.635 3.122 ( -0.739 0.742 -1.046) 1.480 3.274 ( -4.525 7.078 1.782) 8.588 3.533 ( -2.015 -2.343 -0.448) 3.122 3.568 ( -1.478 0.078 1.186) 1.896 3.622 ( -2.164 1.158 0.442) 2.494 3.716 ( 1.874 2.433 1.599) 3.463 3.813 ( 5.147 0.804 -1.856) 5.530 3.867 ( 1.353 0.571 -3.279) 3.593 3.938 ( -1.131 2.283 -0.759) 2.659 4.011 ( 1.501 -3.102 -0.368) 3.466 4.139 ( 5.326 3.621 -0.220) 6.444 4.233 ( -2.389 -3.423 -2.503) 4.868 4.262 ( 0.581 2.899 2.957) 4.182 4.336 ( -1.846 -5.200 -0.309) 5.527 4.472 ( 3.361 2.127 -1.589) 4.283 4.511 ( 0.974 2.513 -0.737) 2.794 4.818 ( -0.018 1.355 2.602) 2.934 4.862 ( -1.744 0.908 2.062) 2.850 4.998 ( -0.265 -0.672 -0.233) 0.759 5.136 ( 7.353 -1.782 -0.165) 7.568 5.307 ( 5.880 -4.106 2.534) 7.606 5.376 ( 2.236 -3.305 -2.086) 4.502 5.478 ( 1.215 -2.153 -1.006) 2.669 5.502 ( 1.335 2.360 1.083) 2.920 5.699 ( -4.745 1.968 2.064) 5.536 5.831 ( -1.056 1.862 0.458) 2.189 6.377 ( -1.067 0.471 0.058) 1.168 6.385 ( -0.508 0.321 -0.535) 0.805 8.556 ( -1.636 0.897 -1.410) 2.339 8.732 ( 1.213 -0.634 0.199) 1.383 13.150 ( 0.158 1.017 3.004) 3.176 13.209 ( 0.728 -0.515 1.198) 1.493 13.285 ( 0.791 1.354 0.643) 1.695 13.342 ( 5.835 -1.702 -1.339) 6.224 13.462 ( -2.935 -0.227 0.060) 2.945 13.605 ( 1.276 3.466 -1.622) 4.034 13.669 ( -3.777 -0.403 0.665) 3.856 13.864 ( -1.837 -0.546 0.181) 1.925 14.200 ( 0.365 0.867 0.303) 0.989 14.226 ( 0.859 0.516 -1.431) 1.747 ======================= Grid point 138 (69/92) ======================= q-point: ( 0.33 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 13.531 4.827 -4.715) 15.121 1.175 ( 10.429 3.826 -10.220) 15.095 1.483 ( -3.777 2.203 3.247) 5.446 1.582 ( 5.300 3.267 11.603) 13.168 1.785 ( 0.912 -2.033 -1.462) 2.665 1.859 ( -4.781 2.175 -2.170) 5.683 1.893 ( 6.541 -0.042 -8.765) 10.937 2.018 ( 0.119 -5.146 0.268) 5.154 2.090 ( -2.289 -2.955 0.725) 3.808 2.147 ( -1.052 0.413 -2.220) 2.491 2.238 ( -1.508 -2.997 0.116) 3.357 2.390 ( 0.599 0.711 -0.937) 1.320 2.504 ( -2.500 -3.587 2.387) 4.982 2.598 ( 0.397 1.912 -1.764) 2.631 2.677 ( -3.131 2.254 2.786) 4.759 2.701 ( -4.544 3.675 1.898) 6.145 2.775 ( -2.814 -6.748 0.955) 7.373 2.922 ( -0.119 -7.403 -2.906) 7.954 2.985 ( -3.007 -3.564 1.989) 5.069 3.035 ( 2.366 0.005 -4.027) 4.671 3.120 ( 0.490 0.308 -0.491) 0.759 3.226 ( -4.504 7.443 2.171) 8.966 3.470 ( -0.942 -1.642 -2.215) 2.914 3.595 ( -2.405 1.597 1.032) 3.066 3.610 ( 0.894 0.129 4.150) 4.247 3.754 ( 1.067 3.403 1.242) 3.776 3.835 ( 1.050 3.034 -2.748) 4.226 3.878 ( 4.130 -1.299 -1.542) 4.595 3.951 ( 3.047 1.206 0.028) 3.277 4.041 ( 2.089 -3.359 -0.394) 3.976 4.148 ( -1.581 0.219 -1.792) 2.400 4.235 ( 0.689 1.144 -0.292) 1.367 4.284 ( -0.221 2.531 1.370) 2.886 4.322 ( 0.112 -3.859 1.603) 4.180 4.490 ( 1.344 0.463 -0.511) 1.511 4.554 ( 3.520 1.609 -0.211) 3.876 4.846 ( 0.719 1.945 1.222) 2.407 4.868 ( -2.613 1.441 5.956) 6.661 5.001 ( 1.735 -0.355 -2.069) 2.723 5.231 ( 4.961 -1.003 -2.963) 5.865 5.358 ( 3.666 -3.482 -3.759) 6.301 5.429 ( 2.212 -3.261 3.413) 5.213 5.476 ( 0.651 -0.872 -1.954) 2.236 5.545 ( -0.318 2.172 3.959) 4.527 5.651 ( -2.373 1.074 0.964) 2.778 5.810 ( -3.093 0.491 1.571) 3.504 6.356 ( -1.266 0.625 -0.328) 1.450 6.367 ( -0.665 0.386 -0.917) 1.197 8.536 ( 0.170 1.078 0.236) 1.117 8.735 ( -0.035 -0.808 -1.480) 1.686 13.176 ( -0.346 1.052 2.266) 2.522 13.255 ( 1.610 -0.141 3.164) 3.553 13.307 ( -0.403 1.546 2.687) 3.126 13.392 ( 1.268 -1.839 -3.334) 4.013 13.431 ( 0.825 -0.818 1.215) 1.681 13.589 ( 0.119 2.836 -2.626) 3.867 13.644 ( -0.971 -0.184 0.726) 1.227 13.817 ( -3.241 -0.094 -0.832) 3.348 14.209 ( 0.555 0.693 -0.186) 0.907 14.223 ( 0.725 0.147 -1.379) 1.565 ======================= Grid point 139 (70/92) ======================= q-point: ( 0.44 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 8.348 0.374 -2.706) 8.783 1.322 ( 15.261 4.223 -0.112) 15.835 1.389 ( -7.535 3.448 -1.338) 8.393 1.619 ( -11.722 3.238 -1.760) 12.288 1.787 ( 6.425 -1.229 4.325) 7.842 1.833 ( -1.048 -2.446 0.395) 2.690 1.920 ( 1.712 2.532 -0.648) 3.124 2.012 ( -0.862 -1.538 -1.455) 2.286 2.050 ( -1.861 -3.903 -0.018) 4.324 2.075 ( -0.444 -1.957 -6.663) 6.959 2.243 ( 0.098 -0.580 2.259) 2.334 2.368 ( 0.746 3.272 -4.727) 5.797 2.503 ( -4.025 -2.101 6.228) 7.707 2.607 ( 3.598 0.847 -2.127) 4.265 2.638 ( -3.562 1.797 0.956) 4.103 2.655 ( -1.646 1.971 -1.317) 2.886 2.768 ( -0.414 -8.987 2.039) 9.225 2.885 ( -0.158 -8.583 -4.601) 9.739 2.958 ( -4.635 -2.212 4.932) 7.120 3.042 ( 2.688 0.580 -1.542) 3.153 3.120 ( 1.294 3.481 -1.338) 3.947 3.189 ( -0.713 3.875 -0.508) 3.973 3.472 ( 2.175 0.150 0.034) 2.181 3.545 ( -3.565 1.496 -0.497) 3.898 3.688 ( 1.532 0.984 5.261) 5.567 3.777 ( -0.114 4.385 0.749) 4.450 3.847 ( 2.304 2.578 -0.649) 3.518 3.907 ( 2.196 -1.893 -2.824) 4.047 4.009 ( 2.220 -0.256 1.425) 2.651 4.056 ( 0.152 -1.891 -0.653) 2.006 4.114 ( -0.100 -0.647 -0.831) 1.058 4.183 ( -3.604 2.066 -1.745) 4.506 4.316 ( 0.389 0.473 1.877) 1.975 4.343 ( 1.313 -1.435 -0.164) 1.952 4.526 ( 2.831 -0.195 0.613) 2.903 4.579 ( -0.435 0.385 -0.268) 0.640 4.884 ( -4.002 1.722 6.875) 8.139 4.890 ( 1.282 2.602 2.330) 3.721 5.013 ( 2.828 -1.101 -1.595) 3.428 5.206 ( 0.638 -0.736 -7.901) 7.961 5.402 ( 2.496 -2.450 0.226) 3.505 5.454 ( -1.066 -2.012 -0.206) 2.286 5.495 ( 1.520 -1.732 1.936) 3.010 5.547 ( -2.364 0.586 1.806) 3.032 5.678 ( 3.725 1.322 0.968) 4.069 5.760 ( -4.188 0.338 0.506) 4.232 6.335 ( -0.648 0.940 -0.262) 1.172 6.347 ( -0.390 0.695 -0.993) 1.273 8.566 ( 1.634 0.838 2.278) 2.926 8.698 ( -1.273 -0.553 -3.089) 3.387 13.200 ( -0.061 0.617 2.858) 2.925 13.284 ( -2.261 0.203 1.088) 2.518 13.334 ( 0.338 1.091 3.537) 3.717 13.397 ( 3.118 -0.268 -1.262) 3.375 13.460 ( 0.512 -1.181 0.639) 1.437 13.560 ( 0.654 2.174 -3.827) 4.450 13.642 ( -0.507 -0.297 1.659) 1.760 13.749 ( -2.748 0.045 -2.125) 3.474 14.210 ( -0.041 0.634 -0.280) 0.694 14.221 ( 0.690 -0.024 -1.189) 1.375 ======================= Grid point 140 (71/92) ======================= q-point: (-0.44 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -14.186 3.400 2.318) 14.771 1.325 ( -9.992 0.433 0.508) 10.014 1.447 ( 5.406 4.774 -5.990) 9.375 1.584 ( 13.359 1.818 1.301) 13.545 1.825 ( -2.238 -2.216 3.042) 4.379 1.860 ( -3.475 1.521 -1.736) 4.172 1.928 ( -1.784 -0.039 1.347) 2.236 1.957 ( 1.251 0.150 -0.809) 1.497 2.012 ( -0.721 0.097 -2.840) 2.932 2.056 ( 2.291 -4.592 -0.583) 5.165 2.256 ( -2.973 1.284 3.589) 4.834 2.330 ( 0.977 1.431 -3.034) 3.494 2.500 ( -5.309 -1.677 6.394) 8.479 2.614 ( 0.311 1.023 -0.123) 1.077 2.636 ( 4.067 -0.176 -3.073) 5.101 2.661 ( 4.075 2.064 -1.194) 4.721 2.798 ( 0.733 -8.615 3.104) 9.187 2.817 ( -2.958 -7.995 -1.251) 8.616 2.949 ( -1.851 0.143 2.552) 3.156 3.077 ( 3.920 -1.928 -3.251) 5.445 3.134 ( -0.220 3.531 0.398) 3.560 3.201 ( 5.641 2.630 -2.990) 6.905 3.472 ( -3.871 1.665 0.104) 4.215 3.530 ( 3.155 0.287 0.692) 3.243 3.749 ( -1.517 3.316 0.931) 3.763 3.769 ( 0.630 2.017 1.299) 2.481 3.866 ( -0.079 1.847 -0.699) 1.977 3.889 ( 0.167 -1.015 -3.665) 3.807 4.020 ( -3.057 -0.656 0.935) 3.264 4.046 ( -0.029 -1.533 0.276) 1.558 4.104 ( -2.825 -0.541 -0.841) 2.997 4.149 ( 2.699 1.986 1.533) 3.685 4.319 ( -1.762 -0.368 0.938) 2.030 4.367 ( 2.628 0.088 -1.815) 3.195 4.544 ( -2.155 0.230 -0.948) 2.366 4.578 ( 1.773 0.139 0.084) 1.780 4.860 ( -5.508 2.024 5.070) 7.755 4.943 ( 0.854 1.152 1.962) 2.430 5.062 ( 1.419 -1.676 3.091) 3.792 5.111 ( 0.066 -0.236 -9.018) 9.021 5.396 ( -4.508 -1.883 1.305) 5.057 5.435 ( -1.696 0.698 1.410) 2.313 5.510 ( -0.763 -4.846 0.039) 4.905 5.570 ( 3.627 -0.306 -0.072) 3.641 5.681 ( -4.356 0.439 0.749) 4.442 5.779 ( 6.507 1.704 -0.820) 6.777 6.332 ( 0.259 1.020 0.254) 1.082 6.337 ( 0.392 1.031 -0.511) 1.216 8.627 ( 0.276 0.149 0.992) 1.041 8.634 ( -0.265 0.310 -1.525) 1.578 13.233 ( -0.971 -0.073 2.690) 2.861 13.257 ( 0.127 0.625 0.069) 0.642 13.364 ( -1.477 -0.168 2.593) 2.989 13.408 ( 0.100 -0.212 -3.300) 3.309 13.481 ( 0.350 1.022 2.824) 3.023 13.523 ( 0.956 1.001 -4.767) 4.964 13.682 ( 1.457 -0.151 3.069) 3.401 13.693 ( -0.380 0.052 -1.846) 1.885 14.205 ( -0.537 0.504 0.174) 0.756 14.218 ( 0.498 0.143 -0.964) 1.095 ======================= Grid point 141 (72/92) ======================= q-point: (-0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( -14.097 6.650 6.576) 16.917 1.064 ( -16.940 6.752 -1.739) 18.319 1.532 ( 4.097 -0.976 -1.369) 4.429 1.713 ( -10.679 4.134 4.038) 12.142 1.717 ( -2.896 3.463 0.387) 4.531 1.818 ( -0.425 -2.812 -1.815) 3.374 1.873 ( 2.176 2.331 -5.828) 6.643 1.988 ( 1.494 -2.052 4.165) 4.878 2.069 ( 3.652 -1.092 2.419) 4.515 2.085 ( 1.421 -1.506 1.437) 2.520 2.271 ( 3.462 -0.618 -0.909) 3.632 2.340 ( 1.362 -1.466 1.885) 2.749 2.487 ( -2.093 -2.586 3.120) 4.561 2.611 ( 0.888 -2.898 -2.081) 3.677 2.704 ( 1.939 4.004 0.113) 4.450 2.720 ( 6.163 3.458 0.428) 7.080 2.787 ( -0.508 -6.781 1.105) 6.889 2.855 ( 1.612 -8.098 2.581) 8.651 2.954 ( 0.397 -1.841 0.864) 2.072 3.075 ( 2.594 -1.354 -5.486) 6.218 3.135 ( 0.502 1.556 -0.449) 1.696 3.281 ( 6.475 4.005 -2.634) 8.056 3.429 ( -1.339 -0.065 1.388) 1.929 3.585 ( 1.158 0.556 1.765) 2.182 3.694 ( -1.852 3.093 -2.890) 4.621 3.787 ( -0.971 -0.299 -0.837) 1.316 3.838 ( 0.339 3.203 -2.476) 4.063 3.842 ( -2.693 -1.135 0.033) 2.922 3.962 ( -4.085 0.781 -0.371) 4.176 4.028 ( -2.597 -0.878 -0.014) 2.741 4.087 ( -0.484 -1.395 2.920) 3.272 4.224 ( 2.871 1.479 1.613) 3.610 4.286 ( -2.710 0.905 0.427) 2.889 4.378 ( 1.805 -0.633 -2.958) 3.523 4.500 ( -1.408 0.497 -1.297) 1.978 4.559 ( -3.839 2.314 -0.493) 4.510 4.847 ( -0.729 0.644 1.979) 2.206 4.940 ( -3.999 -0.201 1.554) 4.295 5.020 ( 0.756 -0.056 -5.939) 5.987 5.124 ( -1.307 -0.858 5.521) 5.738 5.308 ( -7.102 -1.590 1.464) 7.423 5.436 ( -0.264 1.393 1.148) 1.825 5.481 ( -1.330 -6.453 -1.607) 6.782 5.612 ( -0.529 0.720 -1.201) 1.497 5.650 ( 1.718 -0.972 0.982) 2.204 5.870 ( 6.700 1.941 -3.073) 7.622 6.346 ( 0.858 0.759 0.557) 1.274 6.350 ( 1.059 1.127 0.388) 1.594 8.563 ( -1.707 0.808 -2.522) 3.151 8.691 ( 1.483 0.116 2.495) 2.904 13.216 ( -0.495 1.018 -1.105) 1.582 13.294 ( -1.000 -2.270 3.199) 4.048 13.338 ( -2.301 -0.766 -0.030) 2.426 13.352 ( -1.768 0.503 -2.787) 3.338 13.494 ( 1.895 0.137 -4.621) 4.997 13.522 ( 0.456 2.803 3.168) 4.255 13.668 ( 0.680 -0.213 -1.532) 1.689 13.772 ( 3.263 0.157 3.433) 4.739 14.198 ( -0.822 0.476 0.717) 1.190 14.216 ( 0.392 0.360 -0.787) 0.950 ======================= Grid point 142 (73/92) ======================= q-point: (-0.22 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -15.399 9.542 3.854) 18.521 0.887 ( -9.952 9.961 12.427) 18.780 1.481 ( -16.563 4.142 14.389) 22.328 1.570 ( -6.169 1.015 -4.646) 7.790 1.645 ( -0.131 3.606 -6.717) 7.626 1.801 ( 0.495 0.722 -2.583) 2.728 1.872 ( -0.154 2.274 2.602) 3.459 2.033 ( 0.272 -6.999 0.370) 7.014 2.127 ( 0.897 -0.122 1.417) 1.681 2.182 ( 7.038 -1.315 -0.526) 7.179 2.296 ( 2.151 -3.515 -2.090) 4.620 2.434 ( 6.289 -2.184 0.787) 6.704 2.486 ( -2.121 -1.144 0.855) 2.557 2.615 ( 1.972 -5.747 0.460) 6.093 2.732 ( 0.981 5.181 0.372) 5.287 2.798 ( 4.146 0.944 -2.661) 5.016 2.824 ( 3.398 -0.433 1.375) 3.691 2.891 ( -0.310 -6.745 2.367) 7.155 2.981 ( 1.043 -3.797 1.018) 4.067 3.081 ( 4.674 -3.299 -3.289) 6.599 3.134 ( 0.851 1.533 -1.384) 2.234 3.322 ( 2.541 6.636 -2.012) 7.386 3.482 ( 3.977 -2.426 2.663) 5.366 3.587 ( -3.360 -0.737 2.179) 4.073 3.654 ( 1.794 1.006 -3.470) 4.034 3.756 ( -0.432 0.760 -1.677) 1.891 3.800 ( -1.930 1.646 0.623) 2.612 3.817 ( -2.090 0.575 -1.244) 2.499 3.920 ( 0.527 2.993 0.762) 3.133 3.986 ( -3.396 -2.826 1.931) 4.821 4.118 ( -1.175 0.444 3.315) 3.545 4.186 ( -4.923 -0.660 -0.846) 5.038 4.312 ( 2.323 2.693 0.401) 3.579 4.361 ( 0.640 -2.305 -2.787) 3.673 4.455 ( -3.364 3.089 -1.104) 4.699 4.495 ( -1.815 2.498 0.709) 3.168 4.857 ( -0.320 0.181 -0.382) 0.530 4.885 ( -2.010 -0.013 -0.047) 2.010 4.999 ( 0.639 -1.493 -0.126) 1.629 5.107 ( -6.404 -0.920 2.575) 6.964 5.240 ( -4.987 -2.076 4.483) 7.020 5.412 ( -2.690 -5.475 -2.038) 6.432 5.467 ( 0.780 -1.686 -0.351) 1.890 5.559 ( -2.227 0.610 -2.865) 3.680 5.705 ( 2.262 -0.313 1.419) 2.689 5.914 ( 5.184 3.859 -6.876) 9.437 6.368 ( 0.696 0.473 0.890) 1.225 6.373 ( 1.147 0.896 0.355) 1.498 8.534 ( -0.014 1.011 0.347) 1.069 8.728 ( 0.728 0.463 0.619) 1.062 13.202 ( 0.409 1.082 -1.447) 1.852 13.245 ( -3.166 -1.145 -1.545) 3.705 13.300 ( -1.835 1.016 -1.127) 2.381 13.316 ( -4.882 -4.801 1.449) 6.998 13.491 ( 3.504 0.866 -3.315) 4.901 13.565 ( 0.796 4.176 2.204) 4.789 13.680 ( 2.363 -0.259 -0.252) 2.391 13.847 ( 1.932 -0.082 1.865) 2.687 14.194 ( -0.900 0.614 1.081) 1.534 14.214 ( 0.536 0.573 -0.798) 1.119 ======================= Grid point 143 (74/92) ======================= q-point: (-0.11 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -5.649 6.663 16.325) 18.515 0.924 ( -5.029 9.535 15.161) 18.603 1.382 ( -7.973 3.825 -1.367) 8.948 1.441 ( -8.337 5.015 11.105) 14.764 1.560 ( -2.074 3.712 -6.311) 7.610 1.784 ( 2.693 0.602 -3.872) 4.755 1.910 ( -0.452 0.417 4.704) 4.744 2.017 ( -2.298 -5.536 -0.122) 5.995 2.142 ( 1.625 0.217 -1.908) 2.515 2.219 ( 0.040 -3.450 -1.633) 3.817 2.318 ( 6.058 -2.514 -8.214) 10.512 2.390 ( -6.913 1.549 -0.474) 7.101 2.558 ( 6.003 -3.218 0.445) 6.826 2.666 ( 1.859 -6.319 0.486) 6.605 2.743 ( -0.336 4.336 1.393) 4.567 2.848 ( 4.775 0.777 -1.632) 5.106 2.871 ( 1.819 1.952 -1.539) 3.080 2.915 ( 1.206 -5.100 2.185) 5.678 2.989 ( -0.772 -4.503 0.167) 4.572 3.077 ( -2.998 -2.822 -1.626) 4.426 3.204 ( 8.317 -0.462 -0.113) 8.330 3.349 ( 2.312 5.255 -0.957) 5.820 3.549 ( -1.543 -0.653 1.541) 2.276 3.571 ( 0.975 0.071 2.801) 2.967 3.670 ( 2.475 0.438 -1.876) 3.137 3.722 ( -0.644 0.742 -3.330) 3.472 3.732 ( -2.175 1.037 -0.367) 2.437 3.853 ( 2.830 -0.167 2.139) 3.551 3.930 ( -1.846 0.466 0.281) 1.925 3.978 ( -4.282 2.907 0.211) 5.180 4.080 ( 2.089 -0.941 1.187) 2.580 4.194 ( 0.301 -5.032 6.143) 7.947 4.289 ( -1.104 0.854 -4.165) 4.393 4.380 ( 1.892 -1.199 1.404) 2.644 4.409 ( -0.314 2.856 -0.998) 3.041 4.494 ( -0.584 2.562 1.255) 2.912 4.837 ( -0.555 0.508 -0.293) 0.808 4.865 ( -1.106 0.859 -0.402) 1.457 5.027 ( -4.848 -1.764 1.456) 5.360 5.039 ( 2.035 -5.859 1.381) 6.354 5.201 ( -4.716 -2.849 2.154) 5.915 5.297 ( -8.128 -5.139 -1.203) 9.692 5.469 ( 0.519 0.571 -1.192) 1.420 5.509 ( 0.155 0.466 -2.379) 2.429 5.748 ( 0.388 0.821 2.450) 2.613 5.895 ( 2.967 5.996 -7.458) 10.019 6.384 ( 0.155 0.443 0.685) 0.830 6.391 ( 0.557 0.700 0.172) 0.911 8.569 ( 2.112 0.049 2.160) 3.022 8.725 ( -0.377 0.958 -1.747) 2.028 13.178 ( -0.867 -0.082 -2.259) 2.420 13.199 ( -3.731 -1.999 -0.385) 4.250 13.226 ( -3.519 -0.589 1.726) 3.963 13.270 ( -0.593 1.336 -0.650) 1.599 13.517 ( 1.814 1.418 -0.561) 2.369 13.579 ( -0.168 3.224 -0.510) 3.269 13.747 ( 5.073 -0.624 0.377) 5.126 13.868 ( -1.062 -0.544 0.475) 1.284 14.194 ( -0.847 0.937 1.363) 1.858 14.217 ( 0.973 0.719 -1.032) 1.590 ======================= Grid point 144 (75/92) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 0.682 8.259 14.149) 16.397 1.199 ( -0.950 9.868 10.413) 14.378 1.315 ( -1.372 5.531 -11.054) 12.436 1.431 ( 0.361 1.156 -10.702) 10.771 1.602 ( -2.900 -1.715 5.177) 6.176 1.719 ( 4.546 -5.892 -6.653) 9.982 1.968 ( -1.884 -0.156 6.225) 6.505 2.010 ( 1.396 0.677 3.817) 4.120 2.119 ( 0.126 1.152 2.906) 3.129 2.213 ( -1.513 1.938 -3.699) 4.442 2.275 ( 4.457 -4.107 0.039) 6.061 2.303 ( -4.302 2.364 -3.494) 6.025 2.507 ( -3.509 -7.186 3.621) 8.779 2.558 ( 2.605 -5.027 -1.288) 5.806 2.771 ( -3.074 -1.645 2.043) 4.041 2.840 ( 2.846 -3.035 -2.194) 4.703 2.875 ( -2.165 1.449 1.358) 2.938 2.917 ( 0.967 1.517 -1.748) 2.508 2.985 ( 1.971 1.451 1.886) 3.090 3.044 ( 0.083 3.419 -3.572) 4.945 3.297 ( 4.484 -1.699 -0.043) 4.796 3.311 ( -4.358 -2.408 -1.736) 5.273 3.607 ( -1.641 1.821 1.544) 2.897 3.642 ( 1.009 1.422 2.580) 3.113 3.647 ( 1.325 -0.009 -2.291) 2.647 3.687 ( -0.856 0.239 -1.439) 1.691 3.819 ( 5.113 2.983 1.564) 6.123 3.871 ( -3.302 2.874 -2.865) 5.231 3.935 ( -1.971 0.894 2.046) 2.978 3.943 ( 0.580 -0.215 1.389) 1.520 4.153 ( 3.663 -0.567 0.709) 3.774 4.164 ( 2.630 -4.672 3.561) 6.436 4.214 ( -2.738 -1.309 -1.839) 3.549 4.289 ( 0.054 -6.088 -4.853) 7.785 4.538 ( 0.362 6.053 1.307) 6.203 4.554 ( -0.481 5.531 0.075) 5.552 4.847 ( -1.635 0.319 1.533) 2.264 4.865 ( 0.617 -0.330 0.021) 0.700 4.938 ( -1.857 -1.416 1.134) 2.596 4.946 ( 0.082 -3.389 0.716) 3.465 5.100 ( -3.637 -5.553 2.090) 6.960 5.128 ( 2.743 -5.983 -0.580) 6.607 5.492 ( -1.544 2.267 0.075) 2.744 5.520 ( 1.667 2.552 -2.166) 3.739 5.796 ( -1.842 0.838 4.061) 4.537 5.911 ( 2.277 -0.156 -6.851) 7.221 6.403 ( -0.132 0.725 0.498) 0.889 6.410 ( 0.132 0.652 -0.158) 0.684 8.630 ( 1.241 0.388 2.334) 2.672 8.684 ( -0.800 -0.635 -2.853) 3.030 13.124 ( -2.476 0.189 2.381) 3.440 13.154 ( 0.031 -0.724 -0.009) 0.724 13.248 ( 1.215 0.831 0.179) 1.483 13.276 ( 1.023 0.249 -1.957) 2.222 13.588 ( -1.175 3.249 0.467) 3.486 13.610 ( 1.176 2.265 -1.395) 2.908 13.796 ( 0.667 -1.353 0.736) 1.679 13.810 ( -1.212 -1.466 -0.474) 1.960 14.224 ( -0.466 1.759 0.896) 2.029 14.242 ( 0.863 1.138 -0.706) 1.593 ======================= Grid point 145 (76/92) ======================= q-point: ( 0.11 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 3.174 6.691 -13.560) 15.450 1.194 ( 0.976 6.162 9.305) 11.203 1.328 ( 1.885 7.575 10.290) 12.916 1.361 ( 5.024 1.722 -3.712) 6.479 1.601 ( -1.128 -4.622 0.842) 4.832 1.762 ( 6.905 -5.791 -3.699) 9.741 2.003 ( -0.507 -2.366 2.829) 3.723 2.054 ( 2.423 0.664 -1.445) 2.898 2.125 ( -2.399 1.080 -3.154) 4.107 2.167 ( -4.991 2.530 2.138) 5.990 2.212 ( 1.899 4.401 0.286) 4.802 2.341 ( 0.174 -5.518 1.388) 5.693 2.486 ( -1.835 -2.722 2.470) 4.108 2.553 ( -1.035 -6.533 -1.232) 6.729 2.742 ( -3.235 -2.986 2.327) 4.979 2.807 ( -2.990 1.616 0.464) 3.430 2.901 ( -1.905 -2.125 0.102) 2.856 2.903 ( 0.386 0.773 -0.512) 1.004 2.978 ( -1.359 2.465 -0.065) 2.816 3.037 ( 2.226 1.904 -2.620) 3.930 3.216 ( -4.214 0.229 -1.596) 4.512 3.363 ( 2.117 -1.376 1.498) 2.936 3.545 ( -4.396 0.432 -0.137) 4.419 3.604 ( -3.997 -0.360 0.123) 4.015 3.664 ( -0.759 -0.275 -1.544) 1.742 3.708 ( 1.845 1.457 1.196) 2.638 3.809 ( 2.244 3.176 -3.394) 5.162 3.889 ( 0.111 1.359 -0.088) 1.366 3.925 ( 2.893 2.010 0.909) 3.638 4.019 ( 0.649 -0.264 1.150) 1.347 4.122 ( 1.609 0.609 -2.795) 3.282 4.202 ( -1.540 -6.325 -4.219) 7.758 4.242 ( 0.128 -5.554 1.776) 5.832 4.259 ( 3.839 1.283 1.328) 4.260 4.531 ( -0.261 5.517 -0.152) 5.525 4.573 ( 0.564 4.951 0.300) 4.992 4.833 ( -1.088 1.331 1.638) 2.375 4.872 ( -0.214 -0.619 -0.044) 0.656 4.960 ( 1.767 -2.963 0.075) 3.450 4.983 ( 3.489 -2.166 1.630) 4.419 5.117 ( 3.649 -3.397 2.243) 5.467 5.199 ( 5.543 -8.054 -0.768) 9.807 5.475 ( -1.235 2.191 0.964) 2.694 5.529 ( 1.561 2.665 -0.906) 3.218 5.788 ( -4.342 1.060 3.325) 5.571 5.873 ( 0.639 -0.201 -4.000) 4.056 6.401 ( -0.680 0.669 0.276) 0.993 6.406 ( -0.338 0.567 -0.292) 0.722 8.625 ( -1.808 0.808 -1.807) 2.681 8.682 ( 1.386 -0.966 1.206) 2.076 13.132 ( -0.124 0.795 2.727) 2.843 13.169 ( 1.181 -0.851 0.618) 1.582 13.272 ( 2.549 0.577 -1.387) 2.958 13.285 ( 2.653 0.022 -1.682) 3.142 13.537 ( -3.977 2.538 0.377) 4.733 13.640 ( 1.904 2.014 -0.378) 2.797 13.735 ( -4.508 -0.258 0.171) 4.519 13.841 ( 0.990 -1.787 0.673) 2.151 14.223 ( -0.394 1.740 0.336) 1.816 14.245 ( 0.597 1.052 -0.961) 1.545 ======================= Grid point 146 (77/92) ======================= q-point: ( 0.22 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 5.469 7.805 -8.749) 12.937 1.229 ( 3.974 5.098 -4.473) 7.861 1.480 ( 5.146 5.415 6.231) 9.728 1.506 ( 5.273 4.050 4.759) 8.176 1.615 ( 0.098 -7.424 5.121) 9.019 1.835 ( 5.808 -4.518 -2.573) 7.796 1.976 ( -1.792 -0.440 -4.151) 4.543 2.045 ( 1.391 2.719 -2.772) 4.125 2.078 ( -5.034 1.365 -0.793) 5.276 2.121 ( 0.056 -2.705 2.316) 3.562 2.253 ( -0.121 2.729 0.355) 2.755 2.340 ( -0.595 -3.570 2.053) 4.161 2.460 ( -3.415 -2.348 0.110) 4.146 2.553 ( 2.586 -6.857 -1.174) 7.422 2.715 ( -2.550 -5.395 1.378) 6.124 2.752 ( -5.373 -0.241 1.364) 5.548 2.831 ( -6.243 1.797 2.238) 6.871 2.901 ( -1.391 2.394 0.377) 2.794 2.931 ( -4.642 -3.388 -0.008) 5.747 3.058 ( 5.543 4.046 -5.342) 8.697 3.155 ( -1.856 1.849 -0.233) 2.630 3.394 ( -1.196 4.077 2.445) 4.902 3.472 ( -2.737 -3.424 -2.497) 5.045 3.567 ( -0.536 -0.806 1.498) 1.784 3.620 ( -1.814 -0.486 -1.240) 2.250 3.749 ( 2.540 0.294 0.447) 2.595 3.847 ( 4.040 2.616 -1.168) 4.953 3.898 ( 2.473 2.205 -2.096) 3.921 3.956 ( 0.209 -2.189 -1.475) 2.648 3.979 ( -1.589 2.287 -0.102) 2.787 4.135 ( -0.043 -5.563 -3.001) 6.321 4.194 ( 3.261 -0.353 0.595) 3.333 4.248 ( -0.550 -1.345 2.619) 2.995 4.328 ( 2.360 2.583 0.901) 3.613 4.537 ( 0.475 4.589 -0.300) 4.623 4.566 ( -0.533 3.341 -0.156) 3.387 4.853 ( -0.133 -0.312 0.735) 0.810 4.869 ( 0.639 1.576 1.954) 2.590 4.985 ( 2.138 -0.587 -0.976) 2.423 5.085 ( 6.635 -3.179 0.896) 7.412 5.237 ( 6.617 -3.211 1.947) 7.609 5.265 ( 4.130 -7.164 -2.025) 8.514 5.473 ( -0.642 1.994 1.427) 2.535 5.551 ( 1.198 2.283 0.870) 2.721 5.736 ( -4.372 1.471 0.781) 4.678 5.840 ( -1.924 -0.965 -0.306) 2.175 6.388 ( -1.105 0.594 0.124) 1.261 6.393 ( -0.629 0.456 -0.435) 0.890 8.581 ( -1.114 1.729 -1.332) 2.450 8.709 ( 0.482 -1.793 0.572) 1.943 13.171 ( 0.481 0.997 2.991) 3.189 13.199 ( 1.376 -0.402 1.408) 2.010 13.308 ( 2.501 0.563 -0.756) 2.672 13.315 ( 4.350 -0.706 -2.487) 5.060 13.477 ( -3.946 1.899 0.734) 4.440 13.644 ( -1.946 -1.533 0.560) 2.540 13.683 ( -1.036 3.560 -0.633) 3.761 13.845 ( -1.310 -1.512 0.311) 2.025 14.222 ( 0.165 1.336 -0.210) 1.362 14.240 ( 0.317 0.847 -1.103) 1.426 ======================= Grid point 147 (78/92) ======================= q-point: ( 0.33 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 6.155 3.777 -2.166) 7.539 1.281 ( 9.226 6.841 -5.209) 12.612 1.515 ( -0.632 -0.220 -2.212) 2.311 1.655 ( 2.982 3.628 6.970) 8.405 1.705 ( 1.271 -4.101 4.643) 6.323 1.868 ( -0.546 -1.716 -0.858) 1.994 1.909 ( -0.878 1.195 -2.735) 3.111 1.978 ( -2.515 0.840 -3.275) 4.214 2.042 ( -0.602 -1.150 -0.352) 1.345 2.139 ( -1.385 -1.180 1.352) 2.267 2.233 ( 0.839 2.265 -2.131) 3.221 2.370 ( 2.513 -2.033 -0.194) 3.238 2.439 ( 0.023 -2.922 1.834) 3.449 2.564 ( 1.155 -4.655 -2.519) 5.418 2.673 ( -5.504 -3.118 1.172) 6.433 2.699 ( -0.935 -6.893 1.079) 7.039 2.751 ( -7.107 1.043 3.055) 7.805 2.838 ( -2.572 3.952 -3.467) 5.853 2.905 ( -2.789 -1.345 5.096) 5.963 3.071 ( 4.511 3.197 -7.533) 9.344 3.141 ( -0.660 1.221 1.121) 1.784 3.350 ( -4.373 3.587 -1.742) 5.919 3.445 ( 1.454 -0.319 0.023) 1.489 3.585 ( -0.767 -1.910 -0.788) 2.204 3.615 ( 1.067 0.454 4.366) 4.518 3.803 ( 3.469 -1.378 0.256) 3.741 3.880 ( 0.838 3.398 -0.524) 3.538 3.903 ( 1.757 3.101 -2.825) 4.548 3.956 ( 2.209 -1.070 0.552) 2.516 3.992 ( 2.326 -0.741 -0.909) 2.605 4.114 ( -0.059 -2.619 -1.085) 2.835 4.195 ( -2.389 -4.813 1.234) 5.514 4.307 ( 2.835 2.972 1.292) 4.306 4.355 ( -0.024 3.076 0.836) 3.187 4.520 ( -1.151 2.979 0.368) 3.214 4.582 ( 1.267 1.277 0.200) 1.811 4.852 ( 0.420 -1.584 0.337) 1.673 4.923 ( 0.508 3.374 3.928) 5.203 5.000 ( 1.680 0.464 -1.861) 2.549 5.198 ( 6.054 -2.466 -0.909) 6.600 5.279 ( 2.268 -4.267 -2.986) 5.680 5.353 ( 4.463 -3.890 1.106) 6.023 5.482 ( -0.254 1.818 1.348) 2.278 5.581 ( -0.478 1.352 2.549) 2.925 5.680 ( -1.278 1.560 -1.344) 2.424 5.799 ( -3.711 -1.793 1.124) 4.272 6.370 ( -1.058 0.777 -0.041) 1.313 6.378 ( -0.683 0.618 -0.391) 1.000 8.566 ( 0.176 2.032 0.115) 2.043 8.709 ( -0.338 -1.944 -0.785) 2.124 13.199 ( -0.447 1.248 2.430) 2.768 13.251 ( 1.352 -0.386 2.871) 3.197 13.339 ( 2.028 1.272 0.498) 2.445 13.359 ( 3.903 -1.260 -3.142) 5.167 13.434 ( -2.351 1.520 1.817) 3.338 13.616 ( -2.109 -1.512 1.312) 2.908 13.662 ( -0.084 3.083 -2.486) 3.961 13.807 ( -2.763 -1.112 -0.975) 3.134 14.224 ( 0.538 0.792 -0.580) 1.119 14.233 ( 0.181 0.736 -0.981) 1.239 ======================= Grid point 148 (79/92) ======================= q-point: ( 0.44 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 3.587 0.279 0.473) 3.629 1.375 ( 4.186 -0.511 -5.268) 6.748 1.481 ( 1.900 6.339 1.706) 6.834 1.682 ( -5.732 1.612 -1.665) 6.183 1.758 ( 3.363 -1.011 2.160) 4.122 1.790 ( -3.952 -0.853 1.121) 4.195 1.928 ( 2.250 -2.083 0.080) 3.068 1.952 ( 0.385 -3.512 -0.373) 3.552 2.020 ( -1.206 1.271 -0.894) 1.967 2.079 ( -2.007 1.862 -4.189) 5.005 2.276 ( 1.750 3.712 3.579) 5.445 2.403 ( 1.635 -0.596 -0.779) 1.907 2.481 ( 1.348 -0.196 1.661) 2.148 2.554 ( 0.711 -4.827 -1.520) 5.110 2.603 ( -3.555 -4.486 0.741) 5.772 2.662 ( -4.280 -6.323 -0.583) 7.658 2.715 ( -1.558 -0.060 2.926) 3.316 2.774 ( 0.060 5.608 -3.447) 6.583 2.928 ( -2.246 -0.718 5.489) 5.974 3.047 ( 1.860 0.829 -4.856) 5.266 3.161 ( 2.354 0.417 0.099) 2.393 3.261 ( -2.951 1.683 -2.814) 4.412 3.482 ( 2.408 1.159 0.419) 2.705 3.549 ( -2.060 -0.573 -1.243) 2.474 3.698 ( 1.852 0.141 5.163) 5.487 3.845 ( 1.003 -3.500 -2.096) 4.201 3.881 ( 1.343 5.162 0.047) 5.334 3.912 ( 1.472 2.961 -1.075) 3.477 4.005 ( 1.353 -0.744 1.586) 2.214 4.023 ( 2.971 -0.933 -1.536) 3.472 4.092 ( -2.494 -1.015 0.954) 2.856 4.168 ( -0.895 -3.428 -1.396) 3.808 4.350 ( -0.917 2.597 1.675) 3.223 4.353 ( 1.472 2.674 -0.378) 3.076 4.532 ( 1.004 0.979 1.701) 2.205 4.587 ( -0.744 0.395 -0.180) 0.862 4.880 ( 1.442 -2.317 1.487) 3.108 4.938 ( -2.970 -0.107 2.262) 3.735 5.020 ( 1.592 3.416 0.950) 3.886 5.202 ( 1.292 0.880 -7.139) 7.308 5.325 ( 2.603 -4.846 1.983) 5.847 5.396 ( 0.710 -3.543 -0.937) 3.733 5.495 ( -1.781 1.549 3.618) 4.320 5.573 ( -0.970 1.786 -0.269) 2.050 5.691 ( 2.593 -0.057 -0.124) 2.596 5.749 ( -2.523 -1.682 0.003) 3.032 6.357 ( -0.449 1.196 0.066) 1.279 6.364 ( -0.315 1.003 -0.409) 1.128 8.589 ( 1.273 1.457 1.601) 2.511 8.681 ( -1.026 -1.203 -2.022) 2.567 13.218 ( -0.773 1.279 2.939) 3.297 13.283 ( -0.847 -0.341 1.605) 1.847 13.358 ( 0.634 1.032 -0.734) 1.416 13.394 ( 3.302 -0.198 -1.089) 3.482 13.452 ( 0.469 0.938 3.262) 3.426 13.608 ( -0.144 1.691 -1.025) 1.983 13.625 ( -0.785 -0.703 -0.631) 1.228 13.742 ( -2.528 -0.946 -2.460) 3.652 14.224 ( 0.369 0.466 -0.740) 0.949 14.226 ( 0.138 0.823 -0.614) 1.036 ======================= Grid point 149 (80/92) ======================= q-point: (-0.44 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -8.554 2.557 2.331) 9.228 1.322 ( -2.334 -0.661 -1.441) 2.821 1.565 ( -1.058 6.478 -5.157) 8.348 1.625 ( 8.595 2.016 2.369) 9.141 1.747 ( -3.675 -4.819 3.149) 6.830 1.850 ( 5.189 -1.963 -2.239) 5.983 1.925 ( -2.959 -3.606 0.313) 4.675 1.955 ( 0.550 -3.330 -0.748) 3.456 1.992 ( -1.370 4.581 1.131) 4.913 2.048 ( 3.652 3.240 -2.720) 5.589 2.316 ( -3.069 4.284 5.092) 7.328 2.381 ( -1.873 3.005 -4.000) 5.343 2.466 ( -5.409 -1.338 3.325) 6.489 2.559 ( 0.484 -5.308 -2.132) 5.741 2.609 ( 1.244 -4.288 0.636) 4.510 2.622 ( 2.213 -8.043 2.165) 8.618 2.716 ( -1.034 1.172 2.327) 2.803 2.778 ( 4.299 6.648 -2.769) 8.387 2.938 ( -3.326 -0.756 4.219) 5.425 3.036 ( 1.956 -1.436 -3.518) 4.274 3.194 ( 0.004 1.131 -1.742) 2.077 3.230 ( 4.760 -0.322 -0.705) 4.823 3.497 ( -2.184 1.200 -1.118) 2.732 3.531 ( 2.490 0.037 0.452) 2.531 3.770 ( 0.225 -0.347 3.839) 3.861 3.802 ( -0.941 -0.854 -3.864) 4.068 3.885 ( -1.848 1.952 -0.471) 2.729 3.928 ( 2.257 3.440 -1.808) 4.494 3.993 ( -3.712 -1.174 0.678) 3.951 4.045 ( 1.151 -0.239 -1.785) 2.137 4.081 ( -2.737 -0.584 2.932) 4.054 4.154 ( 2.815 -1.504 -1.281) 3.440 4.341 ( -1.384 2.365 0.897) 2.883 4.382 ( 2.224 1.740 -1.031) 3.006 4.551 ( -1.867 0.601 0.253) 1.977 4.581 ( 1.467 0.269 0.294) 1.520 4.881 ( -4.049 -1.205 2.155) 4.742 4.942 ( 2.071 -2.835 0.605) 3.562 5.046 ( -2.816 2.596 4.111) 5.618 5.134 ( 0.380 2.675 -6.085) 6.658 5.346 ( -3.452 -3.171 0.905) 4.774 5.381 ( -0.253 -5.501 -0.487) 5.528 5.491 ( -3.525 2.352 3.859) 5.732 5.583 ( 3.251 1.543 -1.407) 3.864 5.674 ( -3.981 -1.174 1.423) 4.388 5.784 ( 6.703 -1.324 -2.431) 7.252 6.356 ( 0.139 1.351 0.146) 1.365 6.362 ( 0.558 1.335 -0.230) 1.465 8.631 ( -0.548 0.263 -0.378) 0.716 8.639 ( 0.778 0.161 -0.040) 0.796 13.239 ( -1.346 0.708 3.691) 3.992 13.269 ( -0.850 0.585 -0.635) 1.212 13.359 ( -1.316 -0.234 1.038) 1.693 13.399 ( 0.447 -0.685 -3.289) 3.389 13.515 ( 1.407 2.452 4.623) 5.418 13.556 ( 0.105 2.169 -5.343) 5.767 13.667 ( 1.202 -1.440 2.981) 3.522 13.684 ( 0.055 -1.132 -1.919) 2.229 14.218 ( -0.256 0.862 -0.239) 0.930 14.225 ( 0.410 0.522 -0.553) 0.864 ======================= Grid point 150 (81/92) ======================= q-point: (-0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -8.337 6.912 3.708) 11.446 1.212 ( -9.922 7.067 0.601) 12.196 1.535 ( 2.099 2.200 -4.214) 5.196 1.726 ( -0.774 -4.267 0.952) 4.440 1.750 ( 0.401 -0.507 0.944) 1.144 1.837 ( -3.998 4.125 -0.265) 5.750 1.900 ( -0.070 -2.502 0.501) 2.553 1.943 ( 0.844 2.221 -1.749) 2.950 2.019 ( 2.699 -2.149 1.999) 3.987 2.112 ( 4.006 2.201 0.457) 4.594 2.290 ( -1.081 1.151 -4.553) 4.818 2.324 ( -1.624 1.331 3.965) 4.487 2.429 ( -2.873 -2.948 2.561) 4.848 2.519 ( -2.258 -5.329 0.562) 5.815 2.658 ( 1.374 -6.476 2.402) 7.043 2.703 ( 4.189 -5.860 1.239) 7.309 2.771 ( 3.697 1.464 3.307) 5.172 2.823 ( 4.845 4.695 -3.153) 7.447 2.917 ( -3.710 -0.405 2.727) 4.622 3.028 ( 2.518 -0.084 -3.755) 4.522 3.188 ( 1.775 1.744 -2.252) 3.356 3.322 ( 5.886 -0.701 0.408) 5.941 3.454 ( -1.630 2.594 -0.680) 3.138 3.570 ( 0.881 -1.699 0.802) 2.075 3.716 ( -1.975 -0.250 -4.699) 5.103 3.809 ( -1.030 -1.906 1.105) 2.432 3.838 ( -1.947 3.828 0.480) 4.321 3.909 ( -1.789 3.199 -1.833) 4.098 3.962 ( -1.206 -0.494 1.097) 1.703 3.992 ( -2.937 -1.819 -2.495) 4.261 4.080 ( -1.378 0.384 1.930) 2.402 4.209 ( 3.303 -3.244 0.071) 4.630 4.321 ( -1.568 3.074 -0.284) 3.463 4.395 ( 0.989 1.857 -1.989) 2.895 4.520 ( -1.228 2.001 0.168) 2.354 4.591 ( -0.692 0.973 -0.422) 1.266 4.850 ( -1.484 -1.377 1.097) 2.302 4.962 ( -2.504 1.909 1.656) 3.557 5.001 ( -1.987 -1.205 -2.327) 3.289 5.114 ( -2.520 0.364 4.069) 4.800 5.262 ( -6.142 -3.034 -0.318) 6.858 5.351 ( -4.111 -6.254 0.795) 7.526 5.486 ( -0.175 3.546 1.126) 3.724 5.613 ( -1.289 -0.556 -0.087) 1.406 5.650 ( 1.984 0.992 0.752) 2.343 5.868 ( 7.439 -2.255 -3.944) 8.716 6.365 ( 0.647 1.143 0.259) 1.338 6.375 ( 1.076 1.229 -0.051) 1.635 8.586 ( -1.209 1.516 -1.763) 2.621 8.684 ( 1.615 -0.957 1.440) 2.366 13.238 ( -1.342 1.008 0.077) 1.680 13.257 ( -2.515 -1.368 2.549) 3.833 13.325 ( -3.310 -0.361 -0.040) 3.330 13.357 ( -1.025 -0.024 -2.686) 2.875 13.515 ( 2.361 1.936 -5.106) 5.949 13.588 ( 1.424 3.696 3.997) 5.627 13.653 ( 0.948 -1.412 -1.920) 2.565 13.760 ( 3.122 -1.435 3.378) 4.819 14.213 ( -0.362 0.983 0.205) 1.068 14.226 ( 0.342 0.636 -0.355) 0.805 ======================= Grid point 151 (82/92) ======================= q-point: (-0.22 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -9.414 12.153 1.626) 15.458 1.097 ( -5.803 11.267 6.397) 14.197 1.511 ( -1.303 0.548 -1.034) 1.752 1.650 ( -8.526 4.461 -2.710) 9.997 1.720 ( -1.765 -0.386 1.993) 2.690 1.783 ( -0.693 1.300 -4.427) 4.666 1.903 ( -1.030 -5.720 1.618) 6.033 1.948 ( -2.827 4.693 4.632) 7.174 2.107 ( 5.740 -3.000 -1.748) 6.708 2.154 ( 0.559 -0.739 -0.156) 0.940 2.250 ( 0.624 -0.273 -0.584) 0.897 2.374 ( 4.503 -3.538 -0.479) 5.747 2.439 ( 1.326 -2.871 1.699) 3.590 2.505 ( -2.419 -5.238 2.734) 6.385 2.713 ( 1.817 -6.102 2.413) 6.809 2.779 ( 4.854 -2.666 -0.418) 5.554 2.867 ( 1.827 2.259 1.856) 3.448 2.879 ( 3.909 3.508 0.273) 5.260 2.883 ( -1.443 -3.852 1.959) 4.556 3.039 ( 3.471 2.490 -3.607) 5.591 3.192 ( 2.272 2.757 -2.810) 4.545 3.425 ( 4.390 -3.707 1.641) 5.976 3.436 ( 1.369 4.128 -0.982) 4.459 3.561 ( -2.669 -1.928 1.033) 3.450 3.658 ( 1.447 0.396 -3.874) 4.154 3.774 ( -1.079 0.121 -1.685) 2.004 3.837 ( -3.312 2.209 1.758) 4.352 3.857 ( -1.749 2.778 -0.473) 3.317 3.929 ( -1.803 -2.345 0.419) 2.988 3.970 ( 0.876 1.124 0.843) 1.656 4.076 ( -1.617 -2.200 2.244) 3.534 4.216 ( -3.346 -0.357 -1.559) 3.708 4.297 ( 1.132 0.313 -1.319) 1.765 4.367 ( -1.016 0.912 -2.568) 2.908 4.527 ( 0.592 4.283 1.135) 4.470 4.558 ( -2.068 3.546 -0.305) 4.117 4.854 ( 0.305 -1.856 0.823) 2.053 4.901 ( -3.550 2.870 -0.684) 4.616 4.968 ( -2.214 -1.819 0.724) 2.955 5.082 ( -6.119 -1.722 1.461) 6.523 5.181 ( -5.056 -4.263 3.560) 7.510 5.269 ( -6.278 -6.470 0.095) 9.016 5.502 ( 1.551 3.344 -0.847) 3.782 5.572 ( -2.305 0.462 -0.760) 2.471 5.710 ( 2.596 0.961 1.790) 3.297 5.927 ( 6.651 -2.170 -6.414) 9.491 6.381 ( 0.715 0.802 0.524) 1.196 6.392 ( 1.030 0.829 -0.163) 1.332 8.564 ( -0.083 2.107 0.086) 2.110 8.716 ( 1.271 -1.697 -0.098) 2.122 13.211 ( -2.063 -0.404 -0.047) 2.102 13.219 ( -4.172 -1.713 0.989) 4.617 13.270 ( -3.035 0.493 -0.012) 3.075 13.314 ( -1.181 0.369 -1.474) 1.924 13.521 ( 3.957 2.185 -3.435) 5.678 13.642 ( 0.250 2.956 1.656) 3.398 13.669 ( 3.176 -0.205 -0.123) 3.185 13.831 ( 1.694 -1.619 1.721) 2.907 14.212 ( -0.257 1.200 0.625) 1.377 14.229 ( 0.418 0.819 -0.236) 0.949 ======================= Grid point 152 (83/92) ======================= q-point: (-0.11 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -5.886 13.308 8.343) 16.773 1.122 ( -2.551 10.678 8.873) 14.116 1.468 ( -3.902 4.226 -6.854) 8.947 1.496 ( -1.279 2.002 -1.836) 3.003 1.659 ( -7.307 2.127 -0.073) 7.610 1.736 ( 3.002 -5.398 -6.082) 8.668 1.923 ( -0.774 -1.337 5.582) 5.792 1.958 ( -2.475 2.820 5.388) 6.566 2.122 ( -1.486 -2.420 0.112) 2.842 2.187 ( 5.411 -0.995 -1.529) 5.710 2.261 ( -0.103 -1.259 -0.931) 1.569 2.400 ( -0.928 -0.541 -3.154) 3.332 2.495 ( 1.302 -5.409 2.193) 5.980 2.509 ( 2.003 -6.103 1.020) 6.503 2.768 ( 2.643 -5.985 0.605) 6.570 2.817 ( -2.293 0.929 1.606) 2.949 2.876 ( 3.924 1.253 0.164) 4.123 2.915 ( 0.656 -0.484 -0.085) 0.819 2.943 ( 0.629 2.714 0.880) 2.921 3.058 ( 3.132 1.239 -3.189) 4.638 3.219 ( 4.821 1.321 -1.637) 5.260 3.401 ( -3.326 -1.892 -1.918) 4.281 3.529 ( 5.364 0.261 1.436) 5.559 3.577 ( 2.606 -0.508 2.390) 3.572 3.671 ( 2.817 0.754 -2.342) 3.740 3.740 ( -2.531 0.929 -1.524) 3.097 3.763 ( -2.054 2.264 0.504) 3.099 3.867 ( 1.056 1.411 1.647) 2.412 3.922 ( -1.600 -0.713 1.561) 2.347 4.017 ( 0.224 0.890 1.674) 1.909 4.086 ( -1.703 -4.250 4.215) 6.223 4.110 ( -2.381 1.590 -1.677) 3.318 4.300 ( -2.018 -0.280 -2.188) 2.990 4.314 ( 1.201 -3.059 -3.540) 4.830 4.524 ( -0.316 6.633 -0.034) 6.641 4.558 ( -0.547 4.380 1.828) 4.777 4.854 ( -1.275 0.925 -0.018) 1.575 4.866 ( -0.349 -0.996 0.416) 1.135 4.945 ( -1.798 -3.572 1.760) 4.369 4.992 ( -4.895 -1.502 0.264) 5.127 5.140 ( -4.569 -4.112 2.073) 6.487 5.166 ( -5.563 -6.917 0.364) 8.884 5.511 ( 1.061 3.140 -1.576) 3.670 5.530 ( -1.221 1.459 -1.225) 2.263 5.765 ( 0.773 0.946 2.913) 3.158 5.939 ( 4.443 -1.098 -7.625) 8.893 6.396 ( 0.281 0.701 0.544) 0.931 6.404 ( 0.700 0.627 -0.105) 0.946 8.584 ( 1.141 1.503 1.731) 2.561 8.718 ( 0.239 -1.598 -1.947) 2.530 13.160 ( -4.240 -1.053 1.327) 4.566 13.172 ( -2.314 -0.995 0.189) 2.526 13.239 ( -0.425 1.436 -0.184) 1.509 13.288 ( -0.378 0.411 -1.086) 1.222 13.556 ( 3.634 2.488 -1.659) 4.706 13.638 ( -1.256 2.350 -0.171) 2.670 13.736 ( 4.017 -0.175 0.443) 4.046 13.847 ( -1.106 -1.645 0.215) 1.994 14.218 ( -0.145 1.502 0.957) 1.787 14.235 ( 0.665 1.039 -0.336) 1.278 ======================= Grid point 153 (84/92) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( -0.865 9.914 6.820) 12.064 1.349 ( 0.192 -1.971 0.138) 1.985 1.415 ( 2.683 6.917 -6.159) 9.643 1.453 ( -2.452 4.423 -4.066) 6.489 1.536 ( -1.296 -3.841 0.254) 4.062 1.599 ( 3.131 -6.906 -4.707) 8.925 1.943 ( -2.579 -0.126 3.896) 4.674 1.991 ( 0.923 -3.070 -0.039) 3.206 2.146 ( 0.363 0.229 4.430) 4.450 2.165 ( -1.865 -2.435 3.534) 4.679 2.304 ( 1.936 3.731 -0.447) 4.227 2.325 ( -1.288 1.448 -1.561) 2.488 2.425 ( 0.410 -2.514 0.119) 2.550 2.455 ( -0.080 -5.190 -2.693) 5.847 2.761 ( -2.679 2.046 4.557) 5.668 2.806 ( 0.172 -1.635 1.641) 2.323 2.924 ( -3.211 3.181 2.145) 5.004 2.972 ( -3.110 -0.102 1.788) 3.589 3.012 ( 4.204 4.001 -2.582) 6.352 3.081 ( 4.646 -0.649 -5.386) 7.142 3.245 ( -0.187 -2.243 -0.625) 2.335 3.258 ( -0.112 -2.683 -1.658) 3.156 3.638 ( 3.648 1.223 0.006) 3.847 3.648 ( -2.318 0.933 0.217) 2.508 3.655 ( 2.701 -0.229 0.032) 2.711 3.678 ( -3.520 -1.347 -0.952) 3.888 3.885 ( 2.864 3.098 1.765) 4.573 3.909 ( -0.332 0.728 -0.184) 0.821 3.961 ( 2.659 2.739 2.809) 4.740 3.994 ( -3.129 4.016 -0.191) 5.095 4.057 ( 2.011 -4.201 5.160) 6.951 4.121 ( -0.138 -5.123 1.784) 5.427 4.187 ( -0.115 -0.596 -5.907) 5.938 4.204 ( -1.290 -1.876 -5.196) 5.673 4.659 ( -1.311 5.492 1.719) 5.902 4.667 ( 0.727 5.014 0.896) 5.145 4.821 ( -0.774 -2.805 0.793) 3.016 4.828 ( -0.083 -3.238 0.377) 3.261 4.912 ( 0.878 0.453 0.824) 1.287 4.930 ( -0.581 -0.351 -0.907) 1.133 5.008 ( -1.175 -2.313 1.637) 3.068 5.033 ( -0.276 -3.776 -0.685) 3.848 5.538 ( -1.793 2.141 1.279) 3.071 5.557 ( -0.027 0.605 -0.065) 0.609 5.818 ( -0.002 2.008 0.268) 2.026 5.873 ( 1.840 -3.133 -4.548) 5.821 6.415 ( -0.005 0.449 0.243) 0.511 6.418 ( 0.116 0.136 -0.057) 0.188 8.643 ( 0.561 0.958 0.890) 1.423 8.665 ( -0.198 -1.210 -1.133) 1.670 13.130 ( -1.428 0.474 1.976) 2.483 13.141 ( -0.741 -0.606 1.200) 1.535 13.263 ( 1.161 0.718 -0.935) 1.655 13.274 ( 0.988 -0.392 -1.730) 2.030 13.639 ( -0.380 1.775 -0.236) 1.831 13.646 ( 0.641 1.057 -0.790) 1.467 13.775 ( 0.130 -0.583 0.475) 0.763 13.782 ( -1.096 -1.181 -0.098) 1.615 14.253 ( 0.029 1.011 0.395) 1.086 14.259 ( 0.455 0.406 -0.125) 0.623 ======================= Grid point 154 (85/92) ======================= q-point: ( 0.11 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 1.727 4.995 4.638) 7.032 1.337 ( 2.404 7.499 -5.539) 9.628 1.366 ( 0.335 -1.355 0.968) 1.698 1.460 ( 2.688 -0.375 -2.946) 4.005 1.526 ( 1.075 2.309 3.370) 4.225 1.646 ( 6.022 -6.276 -2.079) 8.943 1.962 ( -0.334 -0.360 3.431) 3.466 2.011 ( 2.315 -4.349 -0.891) 5.006 2.143 ( -2.945 1.637 0.016) 3.370 2.181 ( -1.545 -1.582 1.311) 2.571 2.291 ( 0.233 3.015 -1.227) 3.264 2.339 ( 0.118 5.855 0.553) 5.882 2.386 ( -0.707 -6.393 -0.646) 6.464 2.452 ( -0.550 -4.966 0.545) 5.026 2.724 ( -5.460 1.426 1.166) 5.763 2.779 ( -5.054 -3.702 0.779) 6.314 2.898 ( -3.992 2.446 3.000) 5.561 2.939 ( -4.697 -0.934 3.257) 5.791 3.042 ( 3.433 6.133 -2.976) 7.633 3.104 ( 5.796 2.248 -5.282) 8.158 3.213 ( -2.182 0.104 0.300) 2.205 3.283 ( 2.852 -5.849 0.327) 6.516 3.557 ( -4.960 1.101 -1.107) 5.200 3.586 ( -4.806 -1.600 -1.072) 5.177 3.676 ( -0.445 1.719 -0.278) 1.798 3.711 ( 1.070 -1.265 0.640) 1.776 3.878 ( 1.038 3.477 -2.602) 4.465 3.914 ( 0.708 0.356 -0.409) 0.892 3.972 ( 0.117 2.851 -1.687) 3.315 4.031 ( 0.596 0.685 0.628) 1.105 4.070 ( -1.186 -3.342 -2.021) 4.082 4.130 ( -0.475 -5.242 0.808) 5.325 4.182 ( 5.003 3.122 0.983) 5.978 4.248 ( 6.223 -2.563 1.208) 6.838 4.642 ( -1.740 5.390 0.528) 5.688 4.675 ( -1.101 3.800 0.204) 3.961 4.821 ( -0.351 -2.347 0.360) 2.400 4.838 ( 1.007 -2.278 0.771) 2.607 4.932 ( 2.582 0.497 -0.969) 2.803 4.955 ( 3.085 -1.072 0.777) 3.357 5.061 ( 4.720 -2.040 1.796) 5.447 5.074 ( 5.124 -3.845 0.171) 6.409 5.529 ( -1.610 2.818 2.062) 3.845 5.560 ( -0.073 0.052 0.817) 0.822 5.805 ( -2.113 1.342 0.402) 2.535 5.844 ( 0.024 -2.320 -3.230) 3.977 6.411 ( -0.630 0.369 0.047) 0.731 6.413 ( -0.490 0.170 -0.216) 0.562 8.642 ( -0.741 0.924 -0.914) 1.496 8.661 ( 0.366 -1.105 0.387) 1.227 13.146 ( 0.495 0.631 2.039) 2.191 13.157 ( 0.921 -0.535 1.182) 1.591 13.279 ( 2.463 0.258 -1.800) 3.062 13.284 ( 2.492 -0.174 -1.427) 2.877 13.591 ( -3.814 2.927 0.048) 4.808 13.640 ( -1.938 -1.824 -0.190) 2.668 13.756 ( -0.792 2.221 0.531) 2.417 13.802 ( 0.683 -2.295 0.713) 2.499 14.252 ( -0.203 1.066 -0.173) 1.098 14.260 ( 0.138 0.304 -0.568) 0.659 ======================= Grid point 155 (86/92) ======================= q-point: ( 0.22 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -0.958 6.151 -3.798) 7.292 1.332 ( 2.444 2.550 -2.858) 4.543 1.467 ( 2.298 -1.884 1.103) 3.169 1.519 ( 5.381 -2.503 6.946) 9.136 1.631 ( 4.946 5.596 3.669) 8.322 1.729 ( 5.731 -5.423 -0.850) 7.936 1.989 ( 0.605 1.930 -0.624) 2.117 2.048 ( 2.790 -3.387 -0.672) 4.439 2.080 ( -3.897 2.155 -0.133) 4.455 2.123 ( -3.018 -0.655 -2.379) 3.899 2.289 ( -2.669 0.556 1.776) 3.254 2.317 ( 0.042 0.998 -0.287) 1.040 2.425 ( 1.591 -2.240 -0.243) 2.758 2.443 ( 1.437 -1.954 -0.609) 2.501 2.629 ( -5.280 -1.664 -0.617) 5.570 2.675 ( -6.971 -5.736 0.013) 9.027 2.856 ( -5.833 2.012 3.973) 7.339 2.888 ( -5.636 -1.030 3.238) 6.581 3.048 ( -0.314 7.746 -1.678) 7.931 3.134 ( 3.538 0.224 -5.361) 6.427 3.195 ( 0.346 5.027 0.037) 5.039 3.335 ( 2.617 -7.488 -0.899) 7.983 3.482 ( -2.275 2.218 -0.434) 3.207 3.527 ( -0.399 -2.606 -0.233) 2.646 3.642 ( -2.282 2.857 -0.160) 3.660 3.713 ( -0.732 -3.707 0.253) 3.787 3.895 ( 3.376 2.071 -1.765) 4.336 3.923 ( 1.436 -0.665 -1.750) 2.359 3.953 ( 1.289 2.589 -1.706) 3.358 4.004 ( -0.841 -1.427 -1.818) 2.460 4.071 ( 0.881 0.739 0.193) 1.166 4.129 ( -0.965 -4.027 1.216) 4.315 4.290 ( 4.207 3.504 2.638) 6.077 4.343 ( 3.384 -1.231 1.088) 3.762 4.622 ( -1.147 3.562 0.105) 3.743 4.640 ( -2.767 3.037 -0.170) 4.112 4.820 ( 0.147 -0.483 -0.186) 0.538 4.876 ( 1.569 -3.403 1.386) 3.995 4.985 ( 4.570 1.622 -0.866) 4.926 5.032 ( 5.204 -2.486 1.060) 5.864 5.166 ( 6.399 -1.748 -0.434) 6.647 5.183 ( 6.849 -2.389 0.820) 7.300 5.530 ( -1.548 3.232 2.740) 4.511 5.572 ( -0.389 -0.565 1.863) 1.985 5.761 ( -2.684 1.613 -0.847) 3.244 5.803 ( -1.831 -2.481 -1.564) 3.457 6.398 ( -0.987 0.344 0.004) 1.045 6.400 ( -0.792 0.141 -0.204) 0.830 8.621 ( -0.550 2.299 -0.723) 2.472 8.667 ( -0.037 -2.422 0.099) 2.424 13.185 ( 1.090 0.511 2.223) 2.528 13.193 ( 1.553 -0.318 1.677) 2.308 13.308 ( 3.755 0.189 -2.238) 4.375 13.313 ( 2.933 -0.213 -1.435) 3.272 13.530 ( -4.031 3.358 0.977) 5.337 13.596 ( -3.289 -3.176 0.849) 4.650 13.751 ( -0.543 3.291 -0.271) 3.347 13.807 ( -0.852 -2.452 0.113) 2.598 14.245 ( -0.066 0.915 -0.607) 1.100 14.252 ( -0.002 0.203 -0.859) 0.883 ======================= Grid point 156 (87/92) ======================= q-point: ( 0.33 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 0.985 4.211 -0.786) 4.396 1.329 ( 1.821 -3.751 -3.289) 5.311 1.542 ( 3.046 5.767 2.663) 7.045 1.641 ( 1.809 -2.954 3.841) 5.172 1.729 ( 3.114 2.829 0.740) 4.272 1.800 ( 2.791 -4.639 0.543) 5.441 1.949 ( -1.557 2.625 -3.476) 4.626 1.979 ( -5.259 -0.268 -3.072) 6.096 2.071 ( -0.176 2.301 -1.096) 2.555 2.106 ( 0.512 -1.956 1.541) 2.543 2.281 ( 1.221 2.169 1.346) 2.830 2.334 ( 1.749 -2.537 1.495) 3.425 2.409 ( -0.071 1.377 -1.278) 1.880 2.482 ( 1.947 -4.055 -0.533) 4.530 2.564 ( -2.685 -3.207 0.871) 4.273 2.593 ( -3.924 -4.240 0.947) 5.854 2.801 ( -5.272 2.975 3.313) 6.901 2.847 ( -2.747 -1.562 1.923) 3.699 3.005 ( -2.385 7.480 -0.617) 7.876 3.111 ( 0.832 -2.542 -3.556) 4.450 3.185 ( -0.608 5.838 -3.040) 6.610 3.309 ( -1.689 -5.824 -4.187) 7.369 3.491 ( 1.563 3.255 0.925) 3.727 3.543 ( 0.924 -2.322 -0.624) 2.576 3.639 ( 0.924 2.641 2.914) 4.040 3.723 ( 1.539 -5.428 1.260) 5.781 3.934 ( 2.091 0.902 0.236) 2.290 3.940 ( 2.237 -0.096 0.161) 2.245 3.960 ( 1.679 2.717 -2.323) 3.950 3.991 ( 1.628 -0.481 -1.763) 2.447 4.084 ( 0.473 0.177 0.145) 0.526 4.119 ( -1.889 -3.014 1.000) 3.695 4.364 ( 1.777 2.428 1.864) 3.540 4.387 ( 1.327 0.190 0.544) 1.446 4.593 ( -2.633 3.279 0.340) 4.219 4.608 ( -0.972 1.334 0.302) 1.678 4.822 ( 0.558 0.238 -0.375) 0.714 4.897 ( -0.476 -5.517 0.285) 5.545 5.056 ( 4.241 4.560 0.537) 6.250 5.136 ( 5.322 -3.731 1.444) 6.658 5.243 ( 4.572 0.888 -2.273) 5.182 5.287 ( 5.230 -3.061 -0.663) 6.096 5.537 ( -1.690 3.384 3.232) 4.975 5.586 ( -1.091 -1.135 2.659) 3.090 5.709 ( -1.101 1.658 -2.399) 3.117 5.751 ( -2.683 -2.732 -0.971) 3.950 6.383 ( -0.812 0.490 0.116) 0.955 6.386 ( -0.701 0.167 0.038) 0.722 8.612 ( 0.041 2.627 -0.056) 2.628 8.663 ( -0.209 -2.650 -0.318) 2.678 13.222 ( 0.189 1.059 2.439) 2.665 13.240 ( 0.943 -0.772 2.495) 2.777 13.347 ( 3.940 -0.091 -2.317) 4.572 13.349 ( 3.393 -0.029 -1.367) 3.658 13.489 ( -2.953 3.782 2.274) 5.310 13.563 ( -2.343 -3.590 1.811) 4.654 13.724 ( -1.243 3.033 -2.055) 3.869 13.775 ( -2.064 -2.185 -1.467) 3.345 14.239 ( 0.180 0.637 -0.717) 0.976 14.243 ( 0.107 0.208 -0.827) 0.860 ======================= Grid point 157 (88/92) ======================= q-point: ( 0.44 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 1.382 1.840 0.735) 2.416 1.321 ( 0.765 -3.813 -2.371) 4.555 1.595 ( 0.740 4.733 1.721) 5.090 1.662 ( -1.540 -2.548 0.003) 2.977 1.769 ( 4.184 2.725 -1.711) 5.279 1.815 ( -3.636 1.202 0.750) 3.902 1.872 ( -1.432 -3.000 -2.602) 4.221 1.889 ( -1.205 -2.861 -2.519) 3.998 2.070 ( 1.053 3.572 0.260) 3.733 2.110 ( -0.162 0.219 -0.783) 0.829 2.355 ( 3.270 2.320 2.566) 4.760 2.393 ( -0.266 2.492 3.379) 4.207 2.412 ( 2.334 -4.404 0.068) 4.984 2.497 ( -0.704 -5.246 1.030) 5.392 2.541 ( -1.923 -1.258 0.930) 2.479 2.549 ( -2.191 -1.506 0.642) 2.735 2.774 ( -2.814 3.985 3.426) 5.962 2.834 ( -0.469 -1.207 0.022) 1.296 2.982 ( -0.339 6.726 0.985) 6.806 3.091 ( 2.374 0.516 -6.727) 7.152 3.130 ( -1.559 -0.487 0.317) 1.664 3.221 ( -2.723 -5.056 -4.196) 7.113 3.517 ( 1.327 1.736 -0.287) 2.204 3.537 ( 0.131 -0.588 -1.177) 1.322 3.711 ( 2.224 1.680 3.264) 4.292 3.767 ( 1.504 -3.937 0.500) 4.244 3.956 ( -0.766 1.670 0.552) 1.918 3.957 ( 1.162 1.985 -1.678) 2.847 3.990 ( 2.158 -0.004 1.182) 2.460 4.011 ( 2.665 -1.089 -1.320) 3.167 4.084 ( -1.376 0.206 0.829) 1.619 4.105 ( 0.417 -2.308 0.074) 2.346 4.394 ( 0.354 1.799 0.688) 1.958 4.402 ( 0.347 1.208 -0.176) 1.269 4.570 ( -1.341 2.660 1.591) 3.377 4.595 ( -1.047 0.215 0.382) 1.135 4.831 ( 0.927 -1.245 -0.136) 1.558 4.873 ( -1.664 -4.790 -0.744) 5.126 5.122 ( 1.441 5.802 2.438) 6.456 5.218 ( 2.637 -3.135 0.209) 4.102 5.262 ( 1.070 1.678 -1.760) 2.657 5.326 ( 1.166 -3.729 -1.972) 4.376 5.545 ( -2.525 3.287 4.131) 5.852 5.593 ( -1.120 -0.674 2.042) 2.424 5.684 ( 0.605 -0.019 -2.282) 2.361 5.707 ( 0.525 -2.126 -2.173) 3.085 6.376 ( -0.261 0.650 0.234) 0.739 6.379 ( -0.245 0.360 0.069) 0.441 8.620 ( 0.567 1.744 0.551) 1.914 8.653 ( -0.319 -1.660 -0.719) 1.837 13.246 ( -0.832 1.485 2.910) 3.371 13.270 ( -0.653 -0.986 2.534) 2.796 13.372 ( 2.188 0.630 -2.689) 3.523 13.385 ( 2.871 -0.664 -2.252) 3.709 13.498 ( -0.257 3.397 4.421) 5.581 13.566 ( -0.486 -3.422 3.347) 4.811 13.669 ( -1.361 2.654 -3.771) 4.808 13.713 ( -2.042 -1.955 -3.112) 4.204 14.235 ( 0.253 0.475 -0.579) 0.790 14.237 ( 0.162 0.275 -0.659) 0.733 ======================= Grid point 158 (89/92) ======================= q-point: (-0.44 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -2.593 1.790 0.885) 3.273 1.301 ( -0.164 -1.513 -1.224) 1.953 1.634 ( 1.036 0.162 -0.127) 1.057 1.643 ( 2.375 -0.771 0.370) 2.524 1.725 ( -5.314 4.459 0.362) 6.946 1.831 ( -2.359 -5.555 0.748) 6.081 1.840 ( 5.689 1.611 -1.741) 6.164 1.894 ( 2.717 -3.222 -1.076) 4.350 2.085 ( -0.712 3.707 -0.723) 3.844 2.105 ( 2.046 1.718 -0.984) 2.847 2.382 ( -2.190 1.220 1.089) 2.733 2.395 ( -1.047 -0.870 -0.029) 1.361 2.458 ( -2.409 -1.267 3.481) 4.418 2.473 ( -2.242 -1.290 -1.118) 2.818 2.526 ( -0.333 -0.801 2.395) 2.547 2.548 ( 0.660 -1.808 0.780) 2.077 2.772 ( -2.377 3.053 3.652) 5.320 2.826 ( -0.395 -2.066 -0.521) 2.167 3.004 ( 1.262 7.687 0.226) 7.793 3.053 ( 2.527 3.144 -3.887) 5.602 3.157 ( 0.429 -4.295 -2.081) 4.792 3.169 ( 3.830 -5.726 0.604) 6.915 3.523 ( -0.145 1.232 -0.978) 1.580 3.534 ( 1.166 0.064 -0.822) 1.428 3.759 ( 0.472 -0.351 1.022) 1.179 3.769 ( -0.157 -1.417 -1.851) 2.336 3.928 ( -2.746 1.801 0.580) 3.335 3.952 ( -1.752 -0.702 0.813) 2.055 4.003 ( -0.248 1.546 -1.336) 2.058 4.027 ( 0.306 -1.097 -1.216) 1.666 4.090 ( 0.312 1.000 0.970) 1.428 4.117 ( 1.621 -1.800 -1.211) 2.708 4.392 ( -0.614 2.377 0.291) 2.472 4.412 ( 1.121 0.527 -0.470) 1.324 4.574 ( -1.066 1.753 1.672) 2.646 4.590 ( 0.081 0.370 0.711) 0.805 4.835 ( -1.327 -2.031 -0.097) 2.429 4.856 ( 1.269 -4.215 0.143) 4.404 5.145 ( -3.172 5.921 3.411) 7.534 5.196 ( -1.684 2.810 -3.112) 4.518 5.273 ( -1.607 -4.170 2.808) 5.278 5.287 ( -2.799 -3.758 -1.949) 5.075 5.546 ( -2.472 3.138 3.736) 5.470 5.598 ( -1.089 -1.489 1.824) 2.595 5.668 ( 1.686 2.226 -2.161) 3.531 5.734 ( 5.426 -3.564 -3.284) 7.276 6.378 ( 0.218 0.731 0.075) 0.766 6.381 ( 0.471 0.468 -0.062) 0.667 8.636 ( -0.216 0.253 -0.357) 0.488 8.640 ( 0.495 -0.107 0.013) 0.507 13.258 ( -1.982 1.084 3.182) 3.903 13.273 ( -1.822 -0.321 1.598) 2.444 13.363 ( -0.213 0.693 -1.658) 1.810 13.382 ( 0.554 -1.069 -2.991) 3.225 13.567 ( 1.755 2.730 4.700) 5.712 13.595 ( 0.093 1.263 -3.144) 3.389 13.633 ( 1.281 -1.403 2.510) 3.148 13.652 ( -0.195 -1.969 -3.161) 3.729 14.233 ( 0.059 0.495 -0.379) 0.626 14.234 ( 0.266 0.303 -0.419) 0.581 ======================= Grid point 159 (90/92) ======================= q-point: (-0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -2.347 4.903 0.687) 5.479 1.283 ( -1.465 0.001 0.279) 1.491 1.630 ( 0.509 5.674 -4.746) 7.415 1.660 ( -2.753 -1.227 2.995) 4.249 1.702 ( 0.211 -1.505 1.435) 2.090 1.815 ( -0.684 -7.471 -0.964) 7.564 1.893 ( 0.004 3.241 1.867) 3.741 1.948 ( 5.024 -1.796 0.135) 5.337 2.063 ( -0.715 4.372 -0.321) 4.441 2.123 ( 1.224 -1.468 -1.178) 2.245 2.330 ( -2.977 2.537 -3.116) 5.001 2.369 ( -1.815 1.760 2.062) 3.263 2.378 ( -3.692 -0.734 -1.544) 4.069 2.447 ( -3.871 -2.812 2.751) 5.519 2.572 ( 2.652 -1.640 1.658) 3.532 2.602 ( 4.326 -4.433 0.465) 6.211 2.781 ( -0.788 0.690 3.547) 3.699 2.815 ( -1.266 -2.494 1.991) 3.433 3.023 ( 2.387 8.003 -1.048) 8.417 3.088 ( 4.253 3.828 -2.254) 6.150 3.180 ( 3.494 -1.537 -0.532) 3.854 3.251 ( 3.912 -6.081 1.403) 7.365 3.506 ( -0.512 2.337 -0.974) 2.583 3.539 ( 0.300 -1.374 -0.626) 1.540 3.718 ( -1.130 0.924 -3.802) 4.072 3.758 ( -0.600 -2.924 -1.390) 3.293 3.898 ( -2.431 2.110 2.175) 3.885 3.924 ( -3.519 -0.778 2.149) 4.196 3.975 ( -0.721 0.989 -2.142) 2.467 3.980 ( -2.734 0.001 -2.292) 3.568 4.093 ( -0.062 1.382 -0.448) 1.454 4.140 ( 2.247 -3.311 -0.838) 4.088 4.384 ( -0.636 2.809 -0.318) 2.898 4.414 ( -0.174 -0.208 -1.391) 1.417 4.579 ( -0.130 3.329 1.747) 3.761 4.605 ( 0.426 0.423 0.796) 0.997 4.819 ( -0.471 -0.330 0.010) 0.576 4.881 ( 0.491 -6.057 1.162) 6.187 5.079 ( -5.737 5.195 -0.692) 7.771 5.135 ( -5.457 0.512 1.459) 5.672 5.208 ( -5.046 -1.379 -0.015) 5.231 5.251 ( -4.821 -4.321 2.616) 6.982 5.551 ( -1.069 2.729 2.258) 3.700 5.591 ( -2.042 -1.634 1.751) 3.147 5.699 ( 4.558 4.237 -2.054) 6.553 5.794 ( 6.434 -4.954 -3.732) 8.937 6.385 ( 0.615 0.773 -0.073) 0.991 6.390 ( 0.827 0.255 -0.235) 0.897 8.619 ( -0.345 1.937 -0.777) 2.115 8.656 ( 0.756 -1.823 0.317) 1.999 13.244 ( -3.732 0.003 2.462) 4.471 13.247 ( -3.046 -0.103 0.997) 3.206 13.331 ( -1.472 0.879 -1.282) 2.141 13.349 ( -0.745 -0.772 -2.256) 2.499 13.561 ( 2.027 2.722 -4.172) 5.378 13.613 ( 1.469 -2.463 -2.525) 3.821 13.659 ( 2.126 3.415 3.679) 5.452 13.719 ( 2.696 -2.745 3.663) 5.313 14.231 ( 0.054 0.701 -0.089) 0.709 14.236 ( 0.268 0.199 -0.172) 0.375 ======================= Grid point 160 (91/92) ======================= q-point: (-0.22 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -1.571 7.879 0.874) 8.082 1.269 ( -1.133 3.799 1.894) 4.393 1.556 ( -0.815 5.602 -6.255) 8.437 1.659 ( -1.358 -2.433 0.906) 2.930 1.671 ( -4.942 -1.181 0.134) 5.082 1.737 ( -3.929 -8.467 -6.579) 11.420 1.909 ( -1.500 6.415 4.354) 7.897 2.034 ( 2.410 -4.583 3.162) 6.067 2.041 ( -3.052 3.847 0.933) 4.998 2.113 ( -0.069 -3.140 -1.104) 3.330 2.294 ( -1.110 3.511 1.746) 4.076 2.330 ( 1.163 -0.733 -1.135) 1.783 2.403 ( 1.629 -0.972 1.788) 2.606 2.420 ( -0.297 -3.248 0.036) 3.262 2.631 ( 3.580 -1.461 0.096) 3.868 2.677 ( 4.303 -5.761 0.230) 7.194 2.847 ( 0.565 -0.068 4.973) 5.006 2.850 ( 3.133 -0.354 5.237) 6.113 3.045 ( 1.086 9.059 -1.633) 9.269 3.116 ( 3.239 2.781 -3.967) 5.828 3.222 ( 2.667 0.926 -1.814) 3.356 3.308 ( 0.951 -7.646 1.041) 7.775 3.494 ( 0.863 2.041 -0.674) 2.316 3.527 ( -0.487 -1.584 -0.524) 1.738 3.682 ( 2.288 2.358 -3.138) 4.544 3.744 ( 1.943 -3.282 -2.106) 4.357 3.871 ( -4.376 1.250 0.957) 4.650 3.885 ( -3.168 -0.325 1.486) 3.514 3.920 ( -1.732 1.960 0.276) 2.630 3.960 ( -0.541 -1.888 1.510) 2.477 4.084 ( -0.372 2.754 -0.615) 2.846 4.154 ( 0.252 -4.099 -0.951) 4.215 4.349 ( -2.259 2.700 -2.385) 4.252 4.375 ( -1.875 -0.170 -2.097) 2.818 4.610 ( 0.570 3.448 2.508) 4.301 4.619 ( 0.630 2.527 0.514) 2.654 4.816 ( -0.162 -0.483 0.273) 0.577 4.884 ( -1.691 -5.933 0.617) 6.200 4.980 ( -5.065 3.693 -0.258) 6.274 5.041 ( -6.193 -2.577 0.117) 6.709 5.130 ( -6.300 0.568 2.274) 6.722 5.180 ( -6.291 -3.656 1.306) 7.392 5.558 ( -0.264 1.911 0.872) 2.117 5.575 ( -1.918 -0.167 1.230) 2.285 5.756 ( 4.266 4.038 -1.338) 6.025 5.851 ( 5.900 -5.162 -4.558) 9.068 6.396 ( 0.722 0.599 0.068) 0.941 6.401 ( 0.829 0.100 -0.254) 0.872 8.613 ( 0.173 2.862 -0.056) 2.868 8.670 ( 0.718 -2.923 -0.156) 3.014 13.198 ( -4.330 -0.385 1.593) 4.630 13.200 ( -3.971 -0.510 1.199) 4.179 13.294 ( -1.202 1.336 -1.300) 2.218 13.313 ( -0.978 -0.548 -1.560) 1.921 13.570 ( 3.555 2.832 -2.763) 5.319 13.623 ( 2.530 -2.479 -1.686) 3.923 13.725 ( 1.563 3.609 2.267) 4.539 13.788 ( 1.499 -2.842 2.003) 3.786 14.234 ( 0.207 0.857 0.310) 0.934 14.240 ( 0.378 0.208 0.095) 0.442 ======================= Grid point 161 (92/92) ======================= q-point: (-0.11 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.98e-04 2.98e-04 2.98e-04 2.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -3.437 12.462 2.942) 13.258 1.299 ( 1.114 4.706 3.193) 5.795 1.491 ( 0.947 0.030 -5.785) 5.862 1.554 ( -3.564 1.489 -8.484) 9.322 1.589 ( -7.004 -4.636 0.747) 8.433 1.632 ( 0.528 -5.109 -4.621) 6.909 1.943 ( -1.739 2.733 4.723) 5.727 1.990 ( -2.635 -0.766 1.118) 2.963 2.098 ( -0.507 0.106 4.439) 4.469 2.127 ( 1.409 -3.246 2.318) 4.231 2.294 ( -0.396 2.379 0.679) 2.506 2.352 ( -1.863 -5.026 2.687) 5.996 2.403 ( 3.354 1.962 -4.068) 5.626 2.465 ( 2.601 -2.950 -1.298) 4.142 2.705 ( 3.230 0.094 2.780) 4.263 2.754 ( 2.427 -4.297 3.316) 5.946 2.921 ( 1.214 2.606 3.796) 4.762 2.958 ( 1.861 -0.864 4.293) 4.758 3.009 ( -0.277 7.503 -4.055) 8.533 3.095 ( 1.078 0.420 -5.787) 5.901 3.237 ( 2.167 0.731 -2.014) 3.047 3.298 ( -1.663 -6.414 -0.947) 6.693 3.543 ( 5.243 0.626 0.384) 5.294 3.558 ( 4.473 -1.021 1.068) 4.711 3.702 ( 1.705 2.213 -2.619) 3.829 3.741 ( -0.928 -1.293 -2.141) 2.668 3.821 ( -1.298 3.597 2.460) 4.547 3.883 ( 0.478 -2.061 2.475) 3.256 3.918 ( -0.394 2.393 2.304) 3.346 3.983 ( -0.074 -3.840 3.266) 5.041 4.064 ( -1.957 2.685 -0.028) 3.323 4.123 ( -2.573 -2.002 -0.027) 3.260 4.272 ( -1.548 0.736 -5.043) 5.326 4.301 ( -3.669 -1.125 -3.360) 5.101 4.636 ( 0.825 4.608 1.113) 4.812 4.649 ( 0.179 3.881 2.409) 4.571 4.821 ( 0.190 -2.294 0.520) 2.360 4.845 ( -2.694 -3.021 0.090) 4.049 4.918 ( -2.522 1.201 0.366) 2.817 4.964 ( -3.033 -2.455 -0.200) 3.907 5.052 ( -5.674 -0.894 1.813) 6.023 5.088 ( -5.052 -3.104 -0.290) 5.936 5.556 ( -1.868 1.167 0.986) 2.413 5.560 ( -0.074 1.179 -0.084) 1.185 5.800 ( 2.403 3.173 -0.631) 4.031 5.879 ( 4.005 -4.380 -4.991) 7.755 6.408 ( 0.474 0.474 0.251) 0.716 6.412 ( 0.650 0.092 -0.044) 0.658 8.623 ( 0.635 2.448 0.651) 2.612 8.674 ( 0.355 -2.701 -0.716) 2.816 13.150 ( -3.435 -0.023 1.721) 3.842 13.156 ( -2.837 -0.618 1.308) 3.185 13.267 ( -0.255 1.304 -1.160) 1.764 13.286 ( -0.311 -0.585 -1.326) 1.482 13.607 ( 3.486 2.564 -1.429) 4.557 13.647 ( 1.653 -1.332 -0.789) 2.264 13.758 ( 0.785 2.332 0.545) 2.520 13.807 ( -0.757 -2.449 0.371) 2.590 14.244 ( 0.323 0.941 0.581) 1.152 14.250 ( 0.514 0.335 0.203) 0.646 =================== 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 3/18900 10.0 132.903 149.777 132.142 0.000 -18.316 0.000 3/18900 20.0 25.600 29.800 26.139 0.000 -3.277 0.000 3/18900 30.0 11.498 12.990 11.444 0.000 -1.433 0.000 3/18900 40.0 6.965 7.780 6.831 0.000 -0.851 0.000 3/18900 50.0 4.920 5.466 4.779 0.000 -0.592 0.000 3/18900 60.0 3.801 4.208 3.666 0.000 -0.453 0.000 3/18900 70.0 3.107 3.429 2.980 0.000 -0.367 0.000 3/18900 80.0 2.637 2.901 2.518 0.000 -0.310 0.000 3/18900 90.0 2.297 2.521 2.185 0.000 -0.269 0.000 3/18900 100.0 2.040 2.233 1.935 0.000 -0.238 0.000 3/18900 110.0 1.838 2.007 1.739 0.000 -0.214 0.000 3/18900 120.0 1.675 1.825 1.581 0.000 -0.195 0.000 3/18900 130.0 1.541 1.675 1.452 0.000 -0.178 0.000 3/18900 140.0 1.428 1.549 1.343 0.000 -0.165 0.000 3/18900 150.0 1.332 1.442 1.251 0.000 -0.153 0.000 3/18900 160.0 1.249 1.349 1.172 0.000 -0.143 0.000 3/18900 170.0 1.176 1.268 1.102 0.000 -0.135 0.000 3/18900 180.0 1.112 1.196 1.041 0.000 -0.127 0.000 3/18900 190.0 1.055 1.133 0.987 0.000 -0.120 0.000 3/18900 200.0 1.003 1.076 0.938 0.000 -0.114 0.000 3/18900 210.0 0.957 1.024 0.894 0.000 -0.108 0.000 3/18900 220.0 0.915 0.978 0.854 0.000 -0.103 0.000 3/18900 230.0 0.877 0.936 0.818 0.000 -0.099 0.000 3/18900 240.0 0.842 0.897 0.785 0.000 -0.095 0.000 3/18900 250.0 0.809 0.861 0.754 0.000 -0.091 0.000 3/18900 260.0 0.779 0.828 0.726 0.000 -0.087 0.000 3/18900 270.0 0.752 0.798 0.700 0.000 -0.084 0.000 3/18900 280.0 0.726 0.770 0.676 0.000 -0.081 0.000 3/18900 290.0 0.702 0.744 0.653 0.000 -0.078 0.000 3/18900 300.0 0.679 0.719 0.632 0.000 -0.076 0.000 3/18900 310.0 0.658 0.696 0.612 0.000 -0.073 0.000 3/18900 320.0 0.639 0.675 0.594 0.000 -0.071 0.000 3/18900 330.0 0.620 0.655 0.576 0.000 -0.069 0.000 3/18900 340.0 0.602 0.636 0.560 0.000 -0.067 0.000 3/18900 350.0 0.586 0.618 0.544 0.000 -0.065 0.000 3/18900 360.0 0.570 0.601 0.530 0.000 -0.063 0.000 3/18900 370.0 0.555 0.585 0.516 0.000 -0.061 0.000 3/18900 380.0 0.541 0.570 0.502 0.000 -0.060 0.000 3/18900 390.0 0.528 0.555 0.490 0.000 -0.058 0.000 3/18900 400.0 0.515 0.542 0.478 0.000 -0.057 0.000 3/18900 410.0 0.503 0.529 0.467 0.000 -0.055 0.000 3/18900 420.0 0.491 0.516 0.456 0.000 -0.054 0.000 3/18900 430.0 0.480 0.504 0.446 0.000 -0.053 0.000 3/18900 440.0 0.470 0.493 0.436 0.000 -0.051 0.000 3/18900 450.0 0.460 0.482 0.426 0.000 -0.050 0.000 3/18900 460.0 0.450 0.472 0.417 0.000 -0.049 0.000 3/18900 470.0 0.441 0.462 0.409 0.000 -0.048 0.000 3/18900 480.0 0.432 0.452 0.400 0.000 -0.047 0.000 3/18900 490.0 0.423 0.443 0.392 0.000 -0.046 0.000 3/18900 500.0 0.415 0.435 0.385 0.000 -0.045 0.000 3/18900 510.0 0.407 0.426 0.377 0.000 -0.044 0.000 3/18900 520.0 0.399 0.418 0.370 0.000 -0.044 0.000 3/18900 530.0 0.392 0.410 0.363 0.000 -0.043 0.000 3/18900 540.0 0.385 0.403 0.357 0.000 -0.042 0.000 3/18900 550.0 0.378 0.395 0.350 0.000 -0.041 0.000 3/18900 560.0 0.371 0.388 0.344 0.000 -0.040 0.000 3/18900 570.0 0.365 0.382 0.338 0.000 -0.040 0.000 3/18900 580.0 0.359 0.375 0.333 0.000 -0.039 0.000 3/18900 590.0 0.353 0.369 0.327 0.000 -0.038 0.000 3/18900 600.0 0.347 0.363 0.322 0.000 -0.038 0.000 3/18900 610.0 0.342 0.357 0.317 0.000 -0.037 0.000 3/18900 620.0 0.336 0.351 0.312 0.000 -0.036 0.000 3/18900 630.0 0.331 0.346 0.307 0.000 -0.036 0.000 3/18900 640.0 0.326 0.340 0.302 0.000 -0.035 0.000 3/18900 650.0 0.321 0.335 0.297 0.000 -0.035 0.000 3/18900 660.0 0.316 0.330 0.293 0.000 -0.034 0.000 3/18900 670.0 0.312 0.325 0.289 0.000 -0.034 0.000 3/18900 680.0 0.307 0.321 0.284 0.000 -0.033 0.000 3/18900 690.0 0.303 0.316 0.280 0.000 -0.033 0.000 3/18900 700.0 0.299 0.311 0.276 0.000 -0.032 0.000 3/18900 710.0 0.294 0.307 0.273 0.000 -0.032 0.000 3/18900 720.0 0.290 0.303 0.269 0.000 -0.031 0.000 3/18900 730.0 0.287 0.299 0.265 0.000 -0.031 0.000 3/18900 740.0 0.283 0.295 0.262 0.000 -0.031 0.000 3/18900 750.0 0.279 0.291 0.258 0.000 -0.030 0.000 3/18900 760.0 0.275 0.287 0.255 0.000 -0.030 0.000 3/18900 770.0 0.272 0.283 0.252 0.000 -0.029 0.000 3/18900 780.0 0.268 0.280 0.249 0.000 -0.029 0.000 3/18900 790.0 0.265 0.276 0.245 0.000 -0.029 0.000 3/18900 800.0 0.262 0.273 0.242 0.000 -0.028 0.000 3/18900 810.0 0.259 0.269 0.239 0.000 -0.028 0.000 3/18900 820.0 0.256 0.266 0.237 0.000 -0.028 0.000 3/18900 830.0 0.253 0.263 0.234 0.000 -0.027 0.000 3/18900 840.0 0.250 0.260 0.231 0.000 -0.027 0.000 3/18900 850.0 0.247 0.257 0.228 0.000 -0.027 0.000 3/18900 860.0 0.244 0.254 0.226 0.000 -0.026 0.000 3/18900 870.0 0.241 0.251 0.223 0.000 -0.026 0.000 3/18900 880.0 0.238 0.248 0.221 0.000 -0.026 0.000 3/18900 890.0 0.236 0.245 0.218 0.000 -0.025 0.000 3/18900 900.0 0.233 0.243 0.216 0.000 -0.025 0.000 3/18900 910.0 0.231 0.240 0.213 0.000 -0.025 0.000 3/18900 920.0 0.228 0.237 0.211 0.000 -0.025 0.000 3/18900 930.0 0.226 0.235 0.209 0.000 -0.024 0.000 3/18900 940.0 0.223 0.232 0.207 0.000 -0.024 0.000 3/18900 950.0 0.221 0.230 0.205 0.000 -0.024 0.000 3/18900 960.0 0.219 0.228 0.202 0.000 -0.024 0.000 3/18900 970.0 0.217 0.225 0.200 0.000 -0.023 0.000 3/18900 980.0 0.214 0.223 0.198 0.000 -0.023 0.000 3/18900 990.0 0.212 0.221 0.196 0.000 -0.023 0.000 3/18900 1000.0 0.210 0.219 0.194 0.000 -0.023 0.000 3/18900 Thermal conductivity related properties were written into "kappa-m975.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:52:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|