----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:59:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.311995140000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.806288000000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.964908840000001 Atomic positions (fractional): *1 La 0.90229817337157 0.25000000000000 0.30520004108308 138.905 *2 La 0.88728015489452 0.25000000000000 0.90638791829595 138.905 3 La 0.61271984510548 0.75000000000000 0.40638791829595 138.905 4 La 0.59770182662843 0.75000000000000 0.80520004108308 138.905 5 La 0.40229817337157 0.25000000000000 0.19479995891692 138.905 6 La 0.38728015489452 0.25000000000000 0.59361208170405 138.905 7 La 0.11271984510548 0.75000000000000 0.09361208170405 138.905 8 La 0.09770182662843 0.75000000000000 0.69479995891692 138.905 *9 Zn 0.81106484600409 0.25000000000000 0.61551185742819 65.380 10 Zn 0.68893515399591 0.75000000000000 0.11551185742818 65.380 11 Zn 0.31106484600409 0.25000000000000 0.88448814257181 65.380 12 Zn 0.18893515399591 0.75000000000000 0.38448814257182 65.380 *13 O 0.98212108332308 0.25000000000000 0.10596381368956 15.999 *14 O 0.96700756745213 0.25000000000000 0.67582852508508 15.999 *15 O 0.78061192772198 0.75000000000000 0.26010684333997 15.999 *16 O 0.74607961315598 0.25000000000000 0.46150443696997 15.999 17 O 0.75392038684402 0.75000000000000 0.96150443696997 15.999 18 O 0.71938807227802 0.25000000000000 0.76010684333997 15.999 19 O 0.53299243254787 0.75000000000000 0.17582852508509 15.999 20 O 0.51787891667692 0.75000000000000 0.60596381368956 15.999 21 O 0.48212108332308 0.25000000000000 0.39403618631044 15.999 22 O 0.46700756745213 0.25000000000000 0.82417147491492 15.999 23 O 0.28061192772198 0.75000000000000 0.23989315666003 15.999 24 O 0.24607961315598 0.25000000000000 0.03849556303003 15.999 25 O 0.25392038684402 0.75000000000000 0.53849556303003 15.999 26 O 0.21938807227802 0.25000000000000 0.73989315666003 15.999 27 O 0.03299243254787 0.75000000000000 0.32417147491491 15.999 28 O 0.01787891667692 0.75000000000000 0.89403618631044 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.311995140000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.806288000000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.964908840000001 Atomic positions (fractional): *1 La 0.90229817337157 0.25000000000000 0.30520004108308 138.905 > 1 *2 La 0.88728015489452 0.25000000000000 0.90638791829595 138.905 > 2 3 La 0.61271984510548 0.75000000000000 0.40638791829595 138.905 > 3 4 La 0.59770182662843 0.75000000000000 0.80520004108308 138.905 > 4 5 La 0.40229817337157 0.25000000000000 0.19479995891692 138.905 > 5 6 La 0.38728015489452 0.25000000000000 0.59361208170405 138.905 > 6 7 La 0.11271984510548 0.75000000000000 0.09361208170405 138.905 > 7 8 La 0.09770182662843 0.75000000000000 0.69479995891692 138.905 > 8 *9 Zn 0.81106484600409 0.25000000000000 0.61551185742819 65.380 > 9 10 Zn 0.68893515399591 0.75000000000000 0.11551185742818 65.380 > 10 11 Zn 0.31106484600409 0.25000000000000 0.88448814257181 65.380 > 11 12 Zn 0.18893515399591 0.75000000000000 0.38448814257182 65.380 > 12 *13 O 0.98212108332308 0.25000000000000 0.10596381368956 15.999 > 13 *14 O 0.96700756745213 0.25000000000000 0.67582852508508 15.999 > 14 *15 O 0.78061192772198 0.75000000000000 0.26010684333997 15.999 > 15 *16 O 0.74607961315598 0.25000000000000 0.46150443696997 15.999 > 16 17 O 0.75392038684402 0.75000000000000 0.96150443696997 15.999 > 17 18 O 0.71938807227802 0.25000000000000 0.76010684333997 15.999 > 18 19 O 0.53299243254787 0.75000000000000 0.17582852508509 15.999 > 19 20 O 0.51787891667692 0.75000000000000 0.60596381368956 15.999 > 20 21 O 0.48212108332308 0.25000000000000 0.39403618631044 15.999 > 21 22 O 0.46700756745213 0.25000000000000 0.82417147491492 15.999 > 22 23 O 0.28061192772198 0.75000000000000 0.23989315666003 15.999 > 23 24 O 0.24607961315598 0.25000000000000 0.03849556303003 15.999 > 24 25 O 0.25392038684402 0.75000000000000 0.53849556303003 15.999 > 25 26 O 0.21938807227802 0.25000000000000 0.73989315666003 15.999 > 26 27 O 0.03299243254787 0.75000000000000 0.32417147491491 15.999 > 27 28 O 0.01787891667692 0.75000000000000 0.89403618631044 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.311995140000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.418864000000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.964908840000001 Atomic positions (fractional): *1 La 0.90229817337157 0.08333333333333 0.30520004108308 138.905 > 1 2 La 0.90229817337157 0.41666666666667 0.30520004108308 138.905 > 1 3 La 0.90229817337157 0.75000000000000 0.30520004108308 138.905 > 1 *4 La 0.88728015489452 0.08333333333333 0.90638791829595 138.905 > 2 5 La 0.88728015489452 0.41666666666667 0.90638791829595 138.905 > 2 6 La 0.88728015489452 0.75000000000000 0.90638791829595 138.905 > 2 7 La 0.61271984510548 0.25000000000000 0.40638791829595 138.905 > 3 8 La 0.61271984510548 0.58333333333333 0.40638791829595 138.905 > 3 9 La 0.61271984510548 0.91666666666667 0.40638791829595 138.905 > 3 10 La 0.59770182662843 0.25000000000000 0.80520004108308 138.905 > 4 11 La 0.59770182662843 0.58333333333333 0.80520004108308 138.905 > 4 12 La 0.59770182662843 0.91666666666667 0.80520004108308 138.905 > 4 13 La 0.40229817337157 0.08333333333333 0.19479995891692 138.905 > 5 14 La 0.40229817337157 0.41666666666667 0.19479995891692 138.905 > 5 15 La 0.40229817337157 0.75000000000000 0.19479995891692 138.905 > 5 16 La 0.38728015489452 0.08333333333333 0.59361208170405 138.905 > 6 17 La 0.38728015489452 0.41666666666667 0.59361208170405 138.905 > 6 18 La 0.38728015489452 0.75000000000000 0.59361208170405 138.905 > 6 19 La 0.11271984510548 0.25000000000000 0.09361208170405 138.905 > 7 20 La 0.11271984510548 0.58333333333333 0.09361208170405 138.905 > 7 21 La 0.11271984510548 0.91666666666667 0.09361208170405 138.905 > 7 22 La 0.09770182662843 0.25000000000000 0.69479995891692 138.905 > 8 23 La 0.09770182662843 0.58333333333333 0.69479995891692 138.905 > 8 24 La 0.09770182662843 0.91666666666667 0.69479995891692 138.905 > 8 *25 Zn 0.81106484600409 0.08333333333333 0.61551185742819 65.380 > 9 26 Zn 0.81106484600409 0.41666666666667 0.61551185742819 65.380 > 9 27 Zn 0.81106484600409 0.75000000000000 0.61551185742819 65.380 > 9 28 Zn 0.68893515399591 0.25000000000000 0.11551185742818 65.380 > 10 29 Zn 0.68893515399591 0.58333333333333 0.11551185742818 65.380 > 10 30 Zn 0.68893515399591 0.91666666666667 0.11551185742818 65.380 > 10 31 Zn 0.31106484600409 0.08333333333333 0.88448814257181 65.380 > 11 32 Zn 0.31106484600409 0.41666666666667 0.88448814257181 65.380 > 11 33 Zn 0.31106484600409 0.75000000000000 0.88448814257181 65.380 > 11 34 Zn 0.18893515399591 0.25000000000000 0.38448814257182 65.380 > 12 35 Zn 0.18893515399591 0.58333333333333 0.38448814257182 65.380 > 12 36 Zn 0.18893515399591 0.91666666666667 0.38448814257182 65.380 > 12 *37 O 0.98212108332308 0.08333333333333 0.10596381368956 15.999 > 13 38 O 0.98212108332308 0.41666666666667 0.10596381368956 15.999 > 13 39 O 0.98212108332308 0.75000000000000 0.10596381368956 15.999 > 13 *40 O 0.96700756745213 0.08333333333333 0.67582852508508 15.999 > 14 41 O 0.96700756745213 0.41666666666667 0.67582852508508 15.999 > 14 42 O 0.96700756745213 0.75000000000000 0.67582852508508 15.999 > 14 *43 O 0.78061192772198 0.25000000000000 0.26010684333997 15.999 > 15 44 O 0.78061192772198 0.58333333333333 0.26010684333997 15.999 > 15 45 O 0.78061192772198 0.91666666666667 0.26010684333997 15.999 > 15 *46 O 0.74607961315598 0.08333333333333 0.46150443696997 15.999 > 16 47 O 0.74607961315598 0.41666666666667 0.46150443696997 15.999 > 16 48 O 0.74607961315598 0.75000000000000 0.46150443696997 15.999 > 16 49 O 0.75392038684402 0.25000000000000 0.96150443696997 15.999 > 17 50 O 0.75392038684402 0.58333333333333 0.96150443696997 15.999 > 17 51 O 0.75392038684402 0.91666666666667 0.96150443696997 15.999 > 17 52 O 0.71938807227802 0.08333333333333 0.76010684333997 15.999 > 18 53 O 0.71938807227802 0.41666666666667 0.76010684333997 15.999 > 18 54 O 0.71938807227802 0.75000000000000 0.76010684333997 15.999 > 18 55 O 0.53299243254787 0.25000000000000 0.17582852508509 15.999 > 19 56 O 0.53299243254787 0.58333333333333 0.17582852508509 15.999 > 19 57 O 0.53299243254787 0.91666666666667 0.17582852508509 15.999 > 19 58 O 0.51787891667692 0.25000000000000 0.60596381368956 15.999 > 20 59 O 0.51787891667692 0.58333333333333 0.60596381368956 15.999 > 20 60 O 0.51787891667692 0.91666666666667 0.60596381368956 15.999 > 20 61 O 0.48212108332308 0.08333333333333 0.39403618631044 15.999 > 21 62 O 0.48212108332308 0.41666666666667 0.39403618631044 15.999 > 21 63 O 0.48212108332308 0.75000000000000 0.39403618631044 15.999 > 21 64 O 0.46700756745213 0.08333333333333 0.82417147491492 15.999 > 22 65 O 0.46700756745213 0.41666666666667 0.82417147491492 15.999 > 22 66 O 0.46700756745213 0.75000000000000 0.82417147491492 15.999 > 22 67 O 0.28061192772198 0.25000000000000 0.23989315666003 15.999 > 23 68 O 0.28061192772198 0.58333333333333 0.23989315666003 15.999 > 23 69 O 0.28061192772198 0.91666666666667 0.23989315666003 15.999 > 23 70 O 0.24607961315598 0.08333333333333 0.03849556303003 15.999 > 24 71 O 0.24607961315598 0.41666666666667 0.03849556303003 15.999 > 24 72 O 0.24607961315598 0.75000000000000 0.03849556303003 15.999 > 24 73 O 0.25392038684402 0.25000000000000 0.53849556303003 15.999 > 25 74 O 0.25392038684402 0.58333333333333 0.53849556303003 15.999 > 25 75 O 0.25392038684402 0.91666666666667 0.53849556303003 15.999 > 25 76 O 0.21938807227802 0.08333333333333 0.73989315666003 15.999 > 26 77 O 0.21938807227802 0.41666666666667 0.73989315666003 15.999 > 26 78 O 0.21938807227802 0.75000000000000 0.73989315666003 15.999 > 26 79 O 0.03299243254787 0.25000000000000 0.32417147491491 15.999 > 27 80 O 0.03299243254787 0.58333333333333 0.32417147491491 15.999 > 27 81 O 0.03299243254787 0.91666666666667 0.32417147491491 15.999 > 27 82 O 0.01787891667692 0.25000000000000 0.89403618631044 15.999 > 28 83 O 0.01787891667692 0.58333333333333 0.89403618631044 15.999 > 28 84 O 0.01787891667692 0.91666666666667 0.89403618631044 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2859712 0.0000000 0.0000000 0.0000000 4.2366848 0.0000000 0.0000000 0.0000000 4.1016263 -------------------------- Born effective charges -------------------------- 1 La 4.0723340 0.0000000 -0.7912699 0.0000000 4.5961779 0.0000000 -0.8883667 0.0000000 3.4169142 2 La 4.0062478 0.0000000 0.5154989 0.0000000 4.2363740 0.0000000 0.3796559 0.0000000 3.5609782 3 La 4.0062478 0.0000000 -0.5154989 0.0000000 4.2363740 0.0000000 -0.3796559 0.0000000 3.5609782 4 La 4.0723340 0.0000000 0.7912699 0.0000000 4.5961779 0.0000000 0.8883667 0.0000000 3.4169142 5 La 4.0723340 0.0000000 0.7912699 0.0000000 4.5961779 0.0000000 0.8883667 0.0000000 3.4169142 6 La 4.0062478 0.0000000 -0.5154989 0.0000000 4.2363740 0.0000000 -0.3796559 0.0000000 3.5609782 7 La 4.0062478 0.0000000 0.5154989 0.0000000 4.2363740 0.0000000 0.3796559 0.0000000 3.5609782 8 La 4.0723340 0.0000000 -0.7912699 0.0000000 4.5961779 0.0000000 -0.8883667 0.0000000 3.4169142 9 Zn 2.2095342 0.0000000 0.1955464 0.0000000 0.4942554 0.0000000 0.3467889 0.0000000 2.3477501 10 Zn 2.2095342 0.0000000 -0.1955464 0.0000000 0.4942554 0.0000000 -0.3467889 0.0000000 2.3477501 11 Zn 2.2095342 0.0000000 -0.1955464 0.0000000 0.4942554 0.0000000 -0.3467889 0.0000000 2.3477501 12 Zn 2.2095342 0.0000000 0.1955464 0.0000000 0.4942554 0.0000000 0.3467889 0.0000000 2.3477501 13 O -2.3311641 0.0000000 0.1280627 0.0000000 -2.5904996 0.0000000 0.1232688 0.0000000 -2.9224190 14 O -2.7986728 0.0000000 -0.2210428 0.0000000 -2.2926405 0.0000000 -0.1629176 0.0000000 -1.8572422 15 O -2.7562083 0.0000000 -0.1105508 0.0000000 -2.4295503 0.0000000 0.1455840 0.0000000 -2.0791270 16 O -2.4020707 0.0000000 0.0196430 0.0000000 -2.0141167 0.0000000 0.0006434 0.0000000 -2.4668541 17 O -2.4020707 0.0000000 -0.0196430 0.0000000 -2.0141167 0.0000000 -0.0006434 0.0000000 -2.4668541 18 O -2.7562083 0.0000000 0.1105508 0.0000000 -2.4295503 0.0000000 -0.1455840 0.0000000 -2.0791270 19 O -2.7986728 0.0000000 0.2210428 0.0000000 -2.2926405 0.0000000 0.1629176 0.0000000 -1.8572422 20 O -2.3311641 0.0000000 -0.1280627 0.0000000 -2.5904996 0.0000000 -0.1232688 0.0000000 -2.9224190 21 O -2.3311641 0.0000000 -0.1280627 0.0000000 -2.5904996 0.0000000 -0.1232688 0.0000000 -2.9224190 22 O -2.7986728 0.0000000 0.2210428 0.0000000 -2.2926405 0.0000000 0.1629176 0.0000000 -1.8572422 23 O -2.7562083 0.0000000 0.1105508 0.0000000 -2.4295503 0.0000000 -0.1455840 0.0000000 -2.0791270 24 O -2.4020707 0.0000000 -0.0196430 0.0000000 -2.0141167 0.0000000 -0.0006434 0.0000000 -2.4668541 25 O -2.4020707 0.0000000 0.0196430 0.0000000 -2.0141167 0.0000000 0.0006434 0.0000000 -2.4668541 26 O -2.7562083 0.0000000 -0.1105508 0.0000000 -2.4295503 0.0000000 0.1455840 0.0000000 -2.0791270 27 O -2.7986728 0.0000000 -0.2210428 0.0000000 -2.2926405 0.0000000 -0.1629176 0.0000000 -1.8572422 28 O -2.3311641 0.0000000 0.1280627 0.0000000 -2.5904996 0.0000000 0.1232688 0.0000000 -2.9224190 ---------------------------------------------------------------------------- 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: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True ----- Solver_atoms: 1 -- 84 / 84 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 480 - Time: 1.476 Solver_block: 200 / 480 - Time: 1.436 Solver_block: 300 / 480 - Time: 1.441 Solver_block: 400 / 480 - Time: 1.442 Solver_block: 480 / 480 - Time: 1.195 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.023 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 252/252 Permutation basis: 10794/10794 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1456 Number of blocks in projector: 1456 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: 392 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 196 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 196 Use standard eigh solver. Tree of FC basis block matrices: - (1456, 1421), data: False |-- (196, 196), data: True |-- (196, 196), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (224, 217), data: True |-- (392, 378), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:59:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:59:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.311995140000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.806288000000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.964908840000001 Atomic positions (fractional): 1 La 0.90229817337157 0.25000000000000 0.30520004108308 138.905 2 La 0.88728015489452 0.25000000000000 0.90638791829595 138.905 3 La 0.61271984510548 0.75000000000000 0.40638791829595 138.905 4 La 0.59770182662843 0.75000000000000 0.80520004108308 138.905 5 La 0.40229817337157 0.25000000000000 0.19479995891692 138.905 6 La 0.38728015489452 0.25000000000000 0.59361208170405 138.905 7 La 0.11271984510548 0.75000000000000 0.09361208170405 138.905 8 La 0.09770182662843 0.75000000000000 0.69479995891692 138.905 9 Zn 0.81106484600409 0.25000000000000 0.61551185742819 65.380 10 Zn 0.68893515399591 0.75000000000000 0.11551185742818 65.380 11 Zn 0.31106484600409 0.25000000000000 0.88448814257181 65.380 12 Zn 0.18893515399591 0.75000000000000 0.38448814257182 65.380 13 O 0.98212108332308 0.25000000000000 0.10596381368956 15.999 14 O 0.96700756745213 0.25000000000000 0.67582852508508 15.999 15 O 0.78061192772198 0.75000000000000 0.26010684333997 15.999 16 O 0.74607961315598 0.25000000000000 0.46150443696997 15.999 17 O 0.75392038684402 0.75000000000000 0.96150443696997 15.999 18 O 0.71938807227802 0.25000000000000 0.76010684333997 15.999 19 O 0.53299243254787 0.75000000000000 0.17582852508509 15.999 20 O 0.51787891667692 0.75000000000000 0.60596381368956 15.999 21 O 0.48212108332308 0.25000000000000 0.39403618631044 15.999 22 O 0.46700756745213 0.25000000000000 0.82417147491492 15.999 23 O 0.28061192772198 0.75000000000000 0.23989315666003 15.999 24 O 0.24607961315598 0.25000000000000 0.03849556303003 15.999 25 O 0.25392038684402 0.75000000000000 0.53849556303003 15.999 26 O 0.21938807227802 0.25000000000000 0.73989315666003 15.999 27 O 0.03299243254787 0.75000000000000 0.32417147491491 15.999 28 O 0.01787891667692 0.75000000000000 0.89403618631044 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.311995140000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.418864000000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.964908840000001 Atomic positions (fractional): 1 La 0.90229817337157 0.08333333333333 0.30520004108308 138.905 > 1 2 La 0.90229817337157 0.41666666666667 0.30520004108308 138.905 > 1 3 La 0.90229817337157 0.75000000000000 0.30520004108308 138.905 > 1 4 La 0.88728015489452 0.08333333333333 0.90638791829595 138.905 > 4 5 La 0.88728015489452 0.41666666666667 0.90638791829595 138.905 > 4 6 La 0.88728015489452 0.75000000000000 0.90638791829595 138.905 > 4 7 La 0.61271984510548 0.25000000000000 0.40638791829595 138.905 > 7 8 La 0.61271984510548 0.58333333333333 0.40638791829595 138.905 > 7 9 La 0.61271984510548 0.91666666666667 0.40638791829595 138.905 > 7 10 La 0.59770182662843 0.25000000000000 0.80520004108308 138.905 > 10 11 La 0.59770182662843 0.58333333333333 0.80520004108308 138.905 > 10 12 La 0.59770182662843 0.91666666666667 0.80520004108308 138.905 > 10 13 La 0.40229817337157 0.08333333333333 0.19479995891692 138.905 > 13 14 La 0.40229817337157 0.41666666666667 0.19479995891692 138.905 > 13 15 La 0.40229817337157 0.75000000000000 0.19479995891692 138.905 > 13 16 La 0.38728015489452 0.08333333333333 0.59361208170405 138.905 > 16 17 La 0.38728015489452 0.41666666666667 0.59361208170405 138.905 > 16 18 La 0.38728015489452 0.75000000000000 0.59361208170405 138.905 > 16 19 La 0.11271984510548 0.25000000000000 0.09361208170405 138.905 > 19 20 La 0.11271984510548 0.58333333333333 0.09361208170405 138.905 > 19 21 La 0.11271984510548 0.91666666666667 0.09361208170405 138.905 > 19 22 La 0.09770182662843 0.25000000000000 0.69479995891692 138.905 > 22 23 La 0.09770182662843 0.58333333333333 0.69479995891692 138.905 > 22 24 La 0.09770182662843 0.91666666666667 0.69479995891692 138.905 > 22 25 Zn 0.81106484600409 0.08333333333333 0.61551185742819 65.380 > 25 26 Zn 0.81106484600409 0.41666666666667 0.61551185742819 65.380 > 25 27 Zn 0.81106484600409 0.75000000000000 0.61551185742819 65.380 > 25 28 Zn 0.68893515399591 0.25000000000000 0.11551185742818 65.380 > 28 29 Zn 0.68893515399591 0.58333333333333 0.11551185742818 65.380 > 28 30 Zn 0.68893515399591 0.91666666666667 0.11551185742818 65.380 > 28 31 Zn 0.31106484600409 0.08333333333333 0.88448814257181 65.380 > 31 32 Zn 0.31106484600409 0.41666666666667 0.88448814257181 65.380 > 31 33 Zn 0.31106484600409 0.75000000000000 0.88448814257181 65.380 > 31 34 Zn 0.18893515399591 0.25000000000000 0.38448814257182 65.380 > 34 35 Zn 0.18893515399591 0.58333333333333 0.38448814257182 65.380 > 34 36 Zn 0.18893515399591 0.91666666666667 0.38448814257182 65.380 > 34 37 O 0.98212108332308 0.08333333333333 0.10596381368956 15.999 > 37 38 O 0.98212108332308 0.41666666666667 0.10596381368956 15.999 > 37 39 O 0.98212108332308 0.75000000000000 0.10596381368956 15.999 > 37 40 O 0.96700756745213 0.08333333333333 0.67582852508508 15.999 > 40 41 O 0.96700756745213 0.41666666666667 0.67582852508508 15.999 > 40 42 O 0.96700756745213 0.75000000000000 0.67582852508508 15.999 > 40 43 O 0.78061192772198 0.25000000000000 0.26010684333997 15.999 > 43 44 O 0.78061192772198 0.58333333333333 0.26010684333997 15.999 > 43 45 O 0.78061192772198 0.91666666666667 0.26010684333997 15.999 > 43 46 O 0.74607961315598 0.08333333333333 0.46150443696997 15.999 > 46 47 O 0.74607961315598 0.41666666666667 0.46150443696997 15.999 > 46 48 O 0.74607961315598 0.75000000000000 0.46150443696997 15.999 > 46 49 O 0.75392038684402 0.25000000000000 0.96150443696997 15.999 > 49 50 O 0.75392038684402 0.58333333333333 0.96150443696997 15.999 > 49 51 O 0.75392038684402 0.91666666666667 0.96150443696997 15.999 > 49 52 O 0.71938807227802 0.08333333333333 0.76010684333997 15.999 > 52 53 O 0.71938807227802 0.41666666666667 0.76010684333997 15.999 > 52 54 O 0.71938807227802 0.75000000000000 0.76010684333997 15.999 > 52 55 O 0.53299243254787 0.25000000000000 0.17582852508509 15.999 > 55 56 O 0.53299243254787 0.58333333333333 0.17582852508509 15.999 > 55 57 O 0.53299243254787 0.91666666666667 0.17582852508509 15.999 > 55 58 O 0.51787891667692 0.25000000000000 0.60596381368956 15.999 > 58 59 O 0.51787891667692 0.58333333333333 0.60596381368956 15.999 > 58 60 O 0.51787891667692 0.91666666666667 0.60596381368956 15.999 > 58 61 O 0.48212108332308 0.08333333333333 0.39403618631044 15.999 > 61 62 O 0.48212108332308 0.41666666666667 0.39403618631044 15.999 > 61 63 O 0.48212108332308 0.75000000000000 0.39403618631044 15.999 > 61 64 O 0.46700756745213 0.08333333333333 0.82417147491492 15.999 > 64 65 O 0.46700756745213 0.41666666666667 0.82417147491492 15.999 > 64 66 O 0.46700756745213 0.75000000000000 0.82417147491492 15.999 > 64 67 O 0.28061192772198 0.25000000000000 0.23989315666003 15.999 > 67 68 O 0.28061192772198 0.58333333333333 0.23989315666003 15.999 > 67 69 O 0.28061192772198 0.91666666666667 0.23989315666003 15.999 > 67 70 O 0.24607961315598 0.08333333333333 0.03849556303003 15.999 > 70 71 O 0.24607961315598 0.41666666666667 0.03849556303003 15.999 > 70 72 O 0.24607961315598 0.75000000000000 0.03849556303003 15.999 > 70 73 O 0.25392038684402 0.25000000000000 0.53849556303003 15.999 > 73 74 O 0.25392038684402 0.58333333333333 0.53849556303003 15.999 > 73 75 O 0.25392038684402 0.91666666666667 0.53849556303003 15.999 > 73 76 O 0.21938807227802 0.08333333333333 0.73989315666003 15.999 > 76 77 O 0.21938807227802 0.41666666666667 0.73989315666003 15.999 > 76 78 O 0.21938807227802 0.75000000000000 0.73989315666003 15.999 > 76 79 O 0.03299243254787 0.25000000000000 0.32417147491491 15.999 > 79 80 O 0.03299243254787 0.58333333333333 0.32417147491491 15.999 > 79 81 O 0.03299243254787 0.91666666666667 0.32417147491491 15.999 > 79 82 O 0.01787891667692 0.25000000000000 0.89403618631044 15.999 > 82 83 O 0.01787891667692 0.58333333333333 0.89403618631044 15.999 > 82 84 O 0.01787891667692 0.91666666666667 0.89403618631044 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2859712 0.0000000 0.0000000 0.0000000 4.2366848 0.0000000 0.0000000 0.0000000 4.1016263 -------------------------- Born effective charges -------------------------- 1 La 4.0723340 0.0000000 -0.7912699 0.0000000 4.5961779 0.0000000 -0.8883667 0.0000000 3.4169142 2 La 4.0062478 0.0000000 0.5154989 0.0000000 4.2363740 0.0000000 0.3796559 0.0000000 3.5609782 3 La 4.0062478 0.0000000 -0.5154989 0.0000000 4.2363740 0.0000000 -0.3796559 0.0000000 3.5609782 4 La 4.0723340 0.0000000 0.7912699 0.0000000 4.5961779 0.0000000 0.8883667 0.0000000 3.4169142 5 La 4.0723340 0.0000000 0.7912699 0.0000000 4.5961779 0.0000000 0.8883667 0.0000000 3.4169142 6 La 4.0062478 0.0000000 -0.5154989 0.0000000 4.2363740 0.0000000 -0.3796559 0.0000000 3.5609782 7 La 4.0062478 0.0000000 0.5154989 0.0000000 4.2363740 0.0000000 0.3796559 0.0000000 3.5609782 8 La 4.0723340 0.0000000 -0.7912699 0.0000000 4.5961779 0.0000000 -0.8883667 0.0000000 3.4169142 9 Zn 2.2095342 0.0000000 0.1955464 0.0000000 0.4942554 0.0000000 0.3467889 0.0000000 2.3477501 10 Zn 2.2095342 0.0000000 -0.1955464 0.0000000 0.4942554 0.0000000 -0.3467889 0.0000000 2.3477501 11 Zn 2.2095342 0.0000000 -0.1955464 0.0000000 0.4942554 0.0000000 -0.3467889 0.0000000 2.3477501 12 Zn 2.2095342 0.0000000 0.1955464 0.0000000 0.4942554 0.0000000 0.3467889 0.0000000 2.3477501 13 O -2.3311641 0.0000000 0.1280627 0.0000000 -2.5904996 0.0000000 0.1232688 0.0000000 -2.9224190 14 O -2.7986728 0.0000000 -0.2210428 0.0000000 -2.2926405 0.0000000 -0.1629176 0.0000000 -1.8572422 15 O -2.7562083 0.0000000 -0.1105508 0.0000000 -2.4295503 0.0000000 0.1455840 0.0000000 -2.0791270 16 O -2.4020707 0.0000000 0.0196430 0.0000000 -2.0141167 0.0000000 0.0006434 0.0000000 -2.4668541 17 O -2.4020707 0.0000000 -0.0196430 0.0000000 -2.0141167 0.0000000 -0.0006434 0.0000000 -2.4668541 18 O -2.7562083 0.0000000 0.1105508 0.0000000 -2.4295503 0.0000000 -0.1455840 0.0000000 -2.0791270 19 O -2.7986728 0.0000000 0.2210428 0.0000000 -2.2926405 0.0000000 0.1629176 0.0000000 -1.8572422 20 O -2.3311641 0.0000000 -0.1280627 0.0000000 -2.5904996 0.0000000 -0.1232688 0.0000000 -2.9224190 21 O -2.3311641 0.0000000 -0.1280627 0.0000000 -2.5904996 0.0000000 -0.1232688 0.0000000 -2.9224190 22 O -2.7986728 0.0000000 0.2210428 0.0000000 -2.2926405 0.0000000 0.1629176 0.0000000 -1.8572422 23 O -2.7562083 0.0000000 0.1105508 0.0000000 -2.4295503 0.0000000 -0.1455840 0.0000000 -2.0791270 24 O -2.4020707 0.0000000 -0.0196430 0.0000000 -2.0141167 0.0000000 -0.0006434 0.0000000 -2.4668541 25 O -2.4020707 0.0000000 0.0196430 0.0000000 -2.0141167 0.0000000 0.0006434 0.0000000 -2.4668541 26 O -2.7562083 0.0000000 -0.1105508 0.0000000 -2.4295503 0.0000000 0.1455840 0.0000000 -2.0791270 27 O -2.7986728 0.0000000 -0.2210428 0.0000000 -2.2926405 0.0000000 -0.1629176 0.0000000 -1.8572422 28 O -2.3311641 0.0000000 0.1280627 0.0000000 -2.5904996 0.0000000 0.1232688 0.0000000 -2.9224190 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 4, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 46, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:59:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:59:43]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.311995140000001 0.000000000000000 0.000000000000000 b 0.000000000000000 3.806288000000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.964908840000001 Atomic positions (fractional): 1 La 0.90229817337157 0.25000000000000 0.30520004108308 138.905 2 La 0.88728015489452 0.25000000000000 0.90638791829595 138.905 3 La 0.61271984510548 0.75000000000000 0.40638791829595 138.905 4 La 0.59770182662843 0.75000000000000 0.80520004108308 138.905 5 La 0.40229817337157 0.25000000000000 0.19479995891692 138.905 6 La 0.38728015489452 0.25000000000000 0.59361208170405 138.905 7 La 0.11271984510548 0.75000000000000 0.09361208170405 138.905 8 La 0.09770182662843 0.75000000000000 0.69479995891692 138.905 9 Zn 0.81106484600409 0.25000000000000 0.61551185742819 65.380 10 Zn 0.68893515399591 0.75000000000000 0.11551185742818 65.380 11 Zn 0.31106484600409 0.25000000000000 0.88448814257181 65.380 12 Zn 0.18893515399591 0.75000000000000 0.38448814257182 65.380 13 O 0.98212108332308 0.25000000000000 0.10596381368956 15.999 14 O 0.96700756745213 0.25000000000000 0.67582852508508 15.999 15 O 0.78061192772198 0.75000000000000 0.26010684333997 15.999 16 O 0.74607961315598 0.25000000000000 0.46150443696997 15.999 17 O 0.75392038684402 0.75000000000000 0.96150443696997 15.999 18 O 0.71938807227802 0.25000000000000 0.76010684333997 15.999 19 O 0.53299243254787 0.75000000000000 0.17582852508509 15.999 20 O 0.51787891667692 0.75000000000000 0.60596381368956 15.999 21 O 0.48212108332308 0.25000000000000 0.39403618631044 15.999 22 O 0.46700756745213 0.25000000000000 0.82417147491492 15.999 23 O 0.28061192772198 0.75000000000000 0.23989315666003 15.999 24 O 0.24607961315598 0.25000000000000 0.03849556303003 15.999 25 O 0.25392038684402 0.75000000000000 0.53849556303003 15.999 26 O 0.21938807227802 0.25000000000000 0.73989315666003 15.999 27 O 0.03299243254787 0.75000000000000 0.32417147491491 15.999 28 O 0.01787891667692 0.75000000000000 0.89403618631044 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.311995140000001 0.000000000000000 0.000000000000000 b 0.000000000000000 11.418864000000003 0.000000000000000 c 0.000000000000000 0.000000000000000 10.964908840000001 Atomic positions (fractional): 1 La 0.90229817337157 0.08333333333333 0.30520004108308 138.905 > 1 2 La 0.90229817337157 0.41666666666667 0.30520004108308 138.905 > 1 3 La 0.90229817337157 0.75000000000000 0.30520004108308 138.905 > 1 4 La 0.88728015489452 0.08333333333333 0.90638791829595 138.905 > 4 5 La 0.88728015489452 0.41666666666667 0.90638791829595 138.905 > 4 6 La 0.88728015489452 0.75000000000000 0.90638791829595 138.905 > 4 7 La 0.61271984510548 0.25000000000000 0.40638791829595 138.905 > 7 8 La 0.61271984510548 0.58333333333333 0.40638791829595 138.905 > 7 9 La 0.61271984510548 0.91666666666667 0.40638791829595 138.905 > 7 10 La 0.59770182662843 0.25000000000000 0.80520004108308 138.905 > 10 11 La 0.59770182662843 0.58333333333333 0.80520004108308 138.905 > 10 12 La 0.59770182662843 0.91666666666667 0.80520004108308 138.905 > 10 13 La 0.40229817337157 0.08333333333333 0.19479995891692 138.905 > 13 14 La 0.40229817337157 0.41666666666667 0.19479995891692 138.905 > 13 15 La 0.40229817337157 0.75000000000000 0.19479995891692 138.905 > 13 16 La 0.38728015489452 0.08333333333333 0.59361208170405 138.905 > 16 17 La 0.38728015489452 0.41666666666667 0.59361208170405 138.905 > 16 18 La 0.38728015489452 0.75000000000000 0.59361208170405 138.905 > 16 19 La 0.11271984510548 0.25000000000000 0.09361208170405 138.905 > 19 20 La 0.11271984510548 0.58333333333333 0.09361208170405 138.905 > 19 21 La 0.11271984510548 0.91666666666667 0.09361208170405 138.905 > 19 22 La 0.09770182662843 0.25000000000000 0.69479995891692 138.905 > 22 23 La 0.09770182662843 0.58333333333333 0.69479995891692 138.905 > 22 24 La 0.09770182662843 0.91666666666667 0.69479995891692 138.905 > 22 25 Zn 0.81106484600409 0.08333333333333 0.61551185742819 65.380 > 25 26 Zn 0.81106484600409 0.41666666666667 0.61551185742819 65.380 > 25 27 Zn 0.81106484600409 0.75000000000000 0.61551185742819 65.380 > 25 28 Zn 0.68893515399591 0.25000000000000 0.11551185742818 65.380 > 28 29 Zn 0.68893515399591 0.58333333333333 0.11551185742818 65.380 > 28 30 Zn 0.68893515399591 0.91666666666667 0.11551185742818 65.380 > 28 31 Zn 0.31106484600409 0.08333333333333 0.88448814257181 65.380 > 31 32 Zn 0.31106484600409 0.41666666666667 0.88448814257181 65.380 > 31 33 Zn 0.31106484600409 0.75000000000000 0.88448814257181 65.380 > 31 34 Zn 0.18893515399591 0.25000000000000 0.38448814257182 65.380 > 34 35 Zn 0.18893515399591 0.58333333333333 0.38448814257182 65.380 > 34 36 Zn 0.18893515399591 0.91666666666667 0.38448814257182 65.380 > 34 37 O 0.98212108332308 0.08333333333333 0.10596381368956 15.999 > 37 38 O 0.98212108332308 0.41666666666667 0.10596381368956 15.999 > 37 39 O 0.98212108332308 0.75000000000000 0.10596381368956 15.999 > 37 40 O 0.96700756745213 0.08333333333333 0.67582852508508 15.999 > 40 41 O 0.96700756745213 0.41666666666667 0.67582852508508 15.999 > 40 42 O 0.96700756745213 0.75000000000000 0.67582852508508 15.999 > 40 43 O 0.78061192772198 0.25000000000000 0.26010684333997 15.999 > 43 44 O 0.78061192772198 0.58333333333333 0.26010684333997 15.999 > 43 45 O 0.78061192772198 0.91666666666667 0.26010684333997 15.999 > 43 46 O 0.74607961315598 0.08333333333333 0.46150443696997 15.999 > 46 47 O 0.74607961315598 0.41666666666667 0.46150443696997 15.999 > 46 48 O 0.74607961315598 0.75000000000000 0.46150443696997 15.999 > 46 49 O 0.75392038684402 0.25000000000000 0.96150443696997 15.999 > 49 50 O 0.75392038684402 0.58333333333333 0.96150443696997 15.999 > 49 51 O 0.75392038684402 0.91666666666667 0.96150443696997 15.999 > 49 52 O 0.71938807227802 0.08333333333333 0.76010684333997 15.999 > 52 53 O 0.71938807227802 0.41666666666667 0.76010684333997 15.999 > 52 54 O 0.71938807227802 0.75000000000000 0.76010684333997 15.999 > 52 55 O 0.53299243254787 0.25000000000000 0.17582852508509 15.999 > 55 56 O 0.53299243254787 0.58333333333333 0.17582852508509 15.999 > 55 57 O 0.53299243254787 0.91666666666667 0.17582852508509 15.999 > 55 58 O 0.51787891667692 0.25000000000000 0.60596381368956 15.999 > 58 59 O 0.51787891667692 0.58333333333333 0.60596381368956 15.999 > 58 60 O 0.51787891667692 0.91666666666667 0.60596381368956 15.999 > 58 61 O 0.48212108332308 0.08333333333333 0.39403618631044 15.999 > 61 62 O 0.48212108332308 0.41666666666667 0.39403618631044 15.999 > 61 63 O 0.48212108332308 0.75000000000000 0.39403618631044 15.999 > 61 64 O 0.46700756745213 0.08333333333333 0.82417147491492 15.999 > 64 65 O 0.46700756745213 0.41666666666667 0.82417147491492 15.999 > 64 66 O 0.46700756745213 0.75000000000000 0.82417147491492 15.999 > 64 67 O 0.28061192772198 0.25000000000000 0.23989315666003 15.999 > 67 68 O 0.28061192772198 0.58333333333333 0.23989315666003 15.999 > 67 69 O 0.28061192772198 0.91666666666667 0.23989315666003 15.999 > 67 70 O 0.24607961315598 0.08333333333333 0.03849556303003 15.999 > 70 71 O 0.24607961315598 0.41666666666667 0.03849556303003 15.999 > 70 72 O 0.24607961315598 0.75000000000000 0.03849556303003 15.999 > 70 73 O 0.25392038684402 0.25000000000000 0.53849556303003 15.999 > 73 74 O 0.25392038684402 0.58333333333333 0.53849556303003 15.999 > 73 75 O 0.25392038684402 0.91666666666667 0.53849556303003 15.999 > 73 76 O 0.21938807227802 0.08333333333333 0.73989315666003 15.999 > 76 77 O 0.21938807227802 0.41666666666667 0.73989315666003 15.999 > 76 78 O 0.21938807227802 0.75000000000000 0.73989315666003 15.999 > 76 79 O 0.03299243254787 0.25000000000000 0.32417147491491 15.999 > 79 80 O 0.03299243254787 0.58333333333333 0.32417147491491 15.999 > 79 81 O 0.03299243254787 0.91666666666667 0.32417147491491 15.999 > 79 82 O 0.01787891667692 0.25000000000000 0.89403618631044 15.999 > 82 83 O 0.01787891667692 0.58333333333333 0.89403618631044 15.999 > 82 84 O 0.01787891667692 0.91666666666667 0.89403618631044 15.999 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2859712 0.0000000 0.0000000 0.0000000 4.2366848 0.0000000 0.0000000 0.0000000 4.1016263 -------------------------- Born effective charges -------------------------- 1 La 4.0723340 0.0000000 -0.7912699 0.0000000 4.5961779 0.0000000 -0.8883667 0.0000000 3.4169142 2 La 4.0062478 0.0000000 0.5154989 0.0000000 4.2363740 0.0000000 0.3796559 0.0000000 3.5609782 3 La 4.0062478 0.0000000 -0.5154989 0.0000000 4.2363740 0.0000000 -0.3796559 0.0000000 3.5609782 4 La 4.0723340 0.0000000 0.7912699 0.0000000 4.5961779 0.0000000 0.8883667 0.0000000 3.4169142 5 La 4.0723340 0.0000000 0.7912699 0.0000000 4.5961779 0.0000000 0.8883667 0.0000000 3.4169142 6 La 4.0062478 0.0000000 -0.5154989 0.0000000 4.2363740 0.0000000 -0.3796559 0.0000000 3.5609782 7 La 4.0062478 0.0000000 0.5154989 0.0000000 4.2363740 0.0000000 0.3796559 0.0000000 3.5609782 8 La 4.0723340 0.0000000 -0.7912699 0.0000000 4.5961779 0.0000000 -0.8883667 0.0000000 3.4169142 9 Zn 2.2095342 0.0000000 0.1955464 0.0000000 0.4942554 0.0000000 0.3467889 0.0000000 2.3477501 10 Zn 2.2095342 0.0000000 -0.1955464 0.0000000 0.4942554 0.0000000 -0.3467889 0.0000000 2.3477501 11 Zn 2.2095342 0.0000000 -0.1955464 0.0000000 0.4942554 0.0000000 -0.3467889 0.0000000 2.3477501 12 Zn 2.2095342 0.0000000 0.1955464 0.0000000 0.4942554 0.0000000 0.3467889 0.0000000 2.3477501 13 O -2.3311641 0.0000000 0.1280627 0.0000000 -2.5904996 0.0000000 0.1232688 0.0000000 -2.9224190 14 O -2.7986728 0.0000000 -0.2210428 0.0000000 -2.2926405 0.0000000 -0.1629176 0.0000000 -1.8572422 15 O -2.7562083 0.0000000 -0.1105508 0.0000000 -2.4295503 0.0000000 0.1455840 0.0000000 -2.0791270 16 O -2.4020707 0.0000000 0.0196430 0.0000000 -2.0141167 0.0000000 0.0006434 0.0000000 -2.4668541 17 O -2.4020707 0.0000000 -0.0196430 0.0000000 -2.0141167 0.0000000 -0.0006434 0.0000000 -2.4668541 18 O -2.7562083 0.0000000 0.1105508 0.0000000 -2.4295503 0.0000000 -0.1455840 0.0000000 -2.0791270 19 O -2.7986728 0.0000000 0.2210428 0.0000000 -2.2926405 0.0000000 0.1629176 0.0000000 -1.8572422 20 O -2.3311641 0.0000000 -0.1280627 0.0000000 -2.5904996 0.0000000 -0.1232688 0.0000000 -2.9224190 21 O -2.3311641 0.0000000 -0.1280627 0.0000000 -2.5904996 0.0000000 -0.1232688 0.0000000 -2.9224190 22 O -2.7986728 0.0000000 0.2210428 0.0000000 -2.2926405 0.0000000 0.1629176 0.0000000 -1.8572422 23 O -2.7562083 0.0000000 0.1105508 0.0000000 -2.4295503 0.0000000 -0.1455840 0.0000000 -2.0791270 24 O -2.4020707 0.0000000 -0.0196430 0.0000000 -2.0141167 0.0000000 -0.0006434 0.0000000 -2.4668541 25 O -2.4020707 0.0000000 0.0196430 0.0000000 -2.0141167 0.0000000 0.0006434 0.0000000 -2.4668541 26 O -2.7562083 0.0000000 -0.1105508 0.0000000 -2.4295503 0.0000000 0.1455840 0.0000000 -2.0791270 27 O -2.7986728 0.0000000 -0.2210428 0.0000000 -2.2926405 0.0000000 -0.1629176 0.0000000 -1.8572422 28 O -2.3311641 0.0000000 0.1280627 0.0000000 -2.5904996 0.0000000 0.1232688 0.0000000 -2.9224190 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 13 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: 291, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 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 1.513 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.670 ( 0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.879 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 2.938 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 4.288 ( 0.000 0.000 0.000) 0.000 4.414 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.601 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.414 ( 0.000 0.000 0.000) 0.000 5.616 ( 0.000 0.000 0.000) 0.000 5.905 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.748 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.024 ( 0.000 0.000 0.000) 0.000 7.045 ( 0.000 0.000 0.000) 0.000 7.561 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 7.894 ( 0.000 0.000 0.000) 0.000 7.974 ( 0.000 0.000 0.000) 0.000 8.129 ( 0.000 0.000 0.000) 0.000 8.138 ( 0.000 0.000 0.000) 0.000 8.414 ( 0.000 0.000 0.000) 0.000 8.808 ( 0.000 0.000 0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 8.947 ( 0.000 0.000 0.000) 0.000 9.010 ( 0.000 0.000 0.000) 0.000 9.114 ( 0.000 0.000 0.000) 0.000 9.143 ( 0.000 0.000 0.000) 0.000 9.167 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 9.317 ( 0.000 0.000 0.000) 0.000 9.389 ( 0.000 0.000 0.000) 0.000 9.549 ( 0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 9.838 ( 0.000 0.000 0.000) 0.000 9.841 ( 0.000 0.000 0.000) 0.000 11.636 ( 0.000 0.000 0.000) 0.000 12.052 ( 0.000 0.000 0.000) 0.000 12.102 ( 0.000 0.000 0.000) 0.000 12.987 ( 0.000 0.000 0.000) 0.000 13.006 ( 0.000 0.000 0.000) 0.000 13.768 ( 0.000 0.000 0.000) 0.000 13.956 ( 0.000 0.000 0.000) 0.000 14.679 ( 0.000 0.000 0.000) 0.000 14.736 ( 0.000 0.000 0.000) 0.000 17.001 ( 0.000 0.000 0.000) 0.000 17.795 ( 0.000 0.000 0.000) 0.000 18.075 ( 0.000 0.000 0.000) 0.000 18.116 ( 0.000 0.000 0.000) 0.000 18.374 ( 0.000 0.000 0.000) 0.000 18.692 ( 0.000 0.000 0.000) 0.000 18.734 ( 0.000 0.000 0.000) 0.000 18.800 ( 0.000 0.000 0.000) 0.000 18.893 ( 0.000 0.000 0.000) 0.000 19.678 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 26.129 0.000 0.000) 26.129 0.633 ( 27.721 0.000 0.000) 27.721 1.200 ( 51.588 0.000 0.000) 51.588 1.554 ( -7.121 0.000 0.000) 7.121 1.681 ( -21.983 0.000 0.000) 21.983 1.707 ( 4.335 0.000 0.000) 4.335 1.927 ( 11.428 0.000 0.000) 11.428 2.041 ( -9.135 0.000 0.000) 9.135 2.180 ( -9.194 0.000 0.000) 9.194 2.323 ( -17.267 0.000 0.000) 17.267 2.491 ( 9.010 0.000 0.000) 9.010 2.559 ( -13.924 0.000 0.000) 13.924 2.784 ( -5.622 0.000 0.000) 5.622 2.927 ( 10.406 0.000 0.000) 10.406 2.949 ( 13.028 0.000 0.000) 13.028 3.058 ( 4.824 0.000 0.000) 4.824 3.154 ( 2.357 0.000 0.000) 2.357 3.269 ( 18.314 0.000 0.000) 18.314 3.301 ( -4.346 0.000 0.000) 4.346 3.367 ( -8.157 0.000 0.000) 8.157 3.400 ( 1.932 0.000 0.000) 1.932 3.635 ( -4.689 0.000 0.000) 4.689 3.635 ( -30.401 0.000 0.000) 30.401 3.846 ( -5.711 0.000 0.000) 5.711 3.894 ( 7.091 0.000 0.000) 7.091 4.242 ( -2.509 0.000 0.000) 2.509 4.593 ( 1.682 0.000 0.000) 1.682 4.654 ( 9.704 0.000 0.000) 9.704 4.711 ( -10.615 0.000 0.000) 10.615 5.286 ( -0.796 0.000 0.000) 0.796 5.318 ( -10.046 0.000 0.000) 10.046 5.442 ( 28.456 0.000 0.000) 28.456 5.473 ( -9.731 0.000 0.000) 9.731 5.999 ( -1.708 0.000 0.000) 1.708 6.165 ( 2.522 0.000 0.000) 2.522 6.236 ( 5.099 0.000 0.000) 5.099 6.266 ( 2.732 0.000 0.000) 2.732 6.295 ( -4.481 0.000 0.000) 4.481 6.743 ( -0.330 0.000 0.000) 0.330 6.761 ( -1.084 0.000 0.000) 1.084 6.919 ( 2.830 0.000 0.000) 2.830 7.008 ( 0.114 0.000 0.000) 0.114 7.049 ( 1.881 0.000 0.000) 1.881 7.070 ( 1.563 0.000 0.000) 1.563 7.626 ( 5.758 0.000 0.000) 5.758 7.919 ( 2.731 0.000 0.000) 2.731 7.951 ( -1.514 0.000 0.000) 1.514 8.021 ( -9.098 0.000 0.000) 9.098 8.044 ( -5.829 0.000 0.000) 5.829 8.255 ( -10.668 0.000 0.000) 10.668 8.865 ( 4.494 0.000 0.000) 4.494 8.944 ( 8.501 0.000 0.000) 8.501 8.977 ( 6.343 0.000 0.000) 6.343 9.036 ( 2.041 0.000 0.000) 2.041 9.068 ( -3.911 0.000 0.000) 3.911 9.203 ( 5.026 0.000 0.000) 5.026 9.208 ( -0.994 0.000 0.000) 0.994 9.252 ( 1.593 0.000 0.000) 1.593 9.347 ( -3.670 0.000 0.000) 3.670 9.350 ( 4.050 0.000 0.000) 4.050 9.529 ( -1.921 0.000 0.000) 1.921 9.546 ( -4.742 0.000 0.000) 4.742 9.840 ( 0.187 0.000 0.000) 0.187 9.843 ( 0.149 0.000 0.000) 0.149 11.226 ( 3.602 0.000 0.000) 3.602 11.527 ( -7.998 0.000 0.000) 7.998 12.137 ( 6.411 0.000 0.000) 6.411 12.473 ( -5.366 0.000 0.000) 5.366 12.986 ( -1.522 0.000 0.000) 1.522 13.052 ( -8.145 0.000 0.000) 8.145 13.811 ( 2.784 0.000 0.000) 2.784 13.933 ( -2.024 0.000 0.000) 2.024 15.081 ( 31.453 0.000 0.000) 31.453 16.634 ( -28.718 0.000 0.000) 28.718 17.297 ( 6.491 0.000 0.000) 6.491 17.823 ( -10.862 0.000 0.000) 10.862 17.938 ( 0.055 0.000 0.000) 0.055 18.048 ( -2.129 0.000 0.000) 2.129 18.412 ( 3.345 0.000 0.000) 3.345 18.665 ( -4.174 0.000 0.000) 4.174 18.756 ( 4.994 0.000 0.000) 4.994 18.893 ( -0.355 0.000 0.000) 0.355 19.124 ( 19.442 0.000 0.000) 19.442 19.855 ( -10.224 0.000 0.000) 10.224 ======================= Grid point 2 (3/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -25.323 0.000 0.000) 25.323 1.150 ( 25.323 0.000 0.000) 25.323 1.192 ( -21.840 0.000 0.000) 21.840 1.192 ( 21.840 0.000 0.000) 21.840 1.845 ( -7.942 0.000 0.000) 7.942 1.845 ( 7.942 0.000 0.000) 7.942 2.065 ( -4.897 0.000 0.000) 4.897 2.065 ( 4.897 0.000 0.000) 4.897 2.124 ( -25.271 0.000 0.000) 25.271 2.124 ( 25.271 0.000 0.000) 25.271 2.570 ( -43.854 0.000 0.000) 43.854 2.570 ( 43.854 0.000 0.000) 43.854 2.654 ( -6.248 0.000 0.000) 6.248 2.654 ( 6.248 0.000 0.000) 6.248 3.120 ( -2.880 0.000 0.000) 2.880 3.120 ( 2.880 0.000 0.000) 2.880 3.182 ( -3.183 0.000 0.000) 3.183 3.182 ( 3.183 0.000 0.000) 3.183 3.256 ( -12.539 0.000 0.000) 12.539 3.256 ( 12.539 0.000 0.000) 12.539 3.501 ( -6.553 0.000 0.000) 6.553 3.501 ( 6.553 0.000 0.000) 6.553 3.662 ( -15.475 0.000 0.000) 15.475 3.662 ( 15.475 0.000 0.000) 15.475 4.135 ( -12.166 0.000 0.000) 12.166 4.135 ( 12.166 0.000 0.000) 12.166 4.563 ( -3.341 0.000 0.000) 3.341 4.563 ( 3.341 0.000 0.000) 3.341 4.993 ( -16.394 0.000 0.000) 16.394 4.993 ( 16.394 0.000 0.000) 16.394 5.320 ( -4.121 0.000 0.000) 4.121 5.320 ( 4.121 0.000 0.000) 4.121 5.901 ( -11.199 0.000 0.000) 11.199 5.901 ( 11.199 0.000 0.000) 11.199 6.202 ( -1.641 0.000 0.000) 1.641 6.202 ( 1.641 0.000 0.000) 1.641 6.289 ( -0.609 0.000 0.000) 0.609 6.289 ( 0.609 0.000 0.000) 0.609 6.742 ( -0.406 0.000 0.000) 0.406 6.742 ( 0.406 0.000 0.000) 0.406 6.988 ( -2.396 0.000 0.000) 2.396 6.988 ( 2.396 0.000 0.000) 2.396 7.083 ( -0.680 0.000 0.000) 0.680 7.083 ( 0.680 0.000 0.000) 0.680 7.802 ( -9.648 0.000 0.000) 9.648 7.802 ( 9.648 0.000 0.000) 9.648 7.947 ( -2.012 0.000 0.000) 2.012 7.947 ( 2.012 0.000 0.000) 2.012 8.037 ( -8.067 0.000 0.000) 8.067 8.037 ( 8.067 0.000 0.000) 8.067 8.970 ( -4.855 0.000 0.000) 4.855 8.970 ( 4.855 0.000 0.000) 4.855 9.066 ( -0.956 0.000 0.000) 0.956 9.066 ( 0.956 0.000 0.000) 0.956 9.124 ( -5.844 0.000 0.000) 5.844 9.124 ( 5.844 0.000 0.000) 5.844 9.249 ( -3.786 0.000 0.000) 3.786 9.249 ( 3.786 0.000 0.000) 3.786 9.403 ( -7.784 0.000 0.000) 7.784 9.403 ( 7.784 0.000 0.000) 7.784 9.458 ( -4.544 0.000 0.000) 4.544 9.458 ( 4.544 0.000 0.000) 4.544 9.844 ( -0.099 0.000 0.000) 0.099 9.844 ( 0.099 0.000 0.000) 0.099 11.348 ( -7.279 0.000 0.000) 7.279 11.348 ( 7.279 0.000 0.000) 7.279 12.305 ( -8.512 0.000 0.000) 8.512 12.305 ( 8.512 0.000 0.000) 8.512 12.963 ( -0.362 0.000 0.000) 0.362 12.963 ( 0.362 0.000 0.000) 0.362 13.875 ( -2.943 0.000 0.000) 2.943 13.875 ( 2.943 0.000 0.000) 2.943 15.876 ( -37.540 0.000 0.000) 37.540 15.876 ( 37.540 0.000 0.000) 37.540 17.512 ( -12.759 0.000 0.000) 12.759 17.512 ( 12.759 0.000 0.000) 12.759 17.997 ( -2.424 0.000 0.000) 2.424 17.997 ( 2.424 0.000 0.000) 2.424 18.537 ( -6.799 0.000 0.000) 6.799 18.537 ( 6.799 0.000 0.000) 6.799 18.857 ( -3.245 0.000 0.000) 3.245 18.857 ( 3.245 0.000 0.000) 3.245 19.543 ( -17.341 0.000 0.000) 17.341 19.543 ( 17.341 0.000 0.000) 17.341 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 0.000 20.320 0.000) 20.320 0.541 ( 0.000 27.248 0.000) 27.248 1.098 ( 0.000 52.381 0.000) 52.381 1.551 ( 0.000 3.834 0.000) 3.834 1.924 ( 0.000 22.650 0.000) 22.650 2.013 ( 0.000 1.503 0.000) 1.503 2.217 ( 0.000 18.318 0.000) 18.318 2.285 ( 0.000 5.310 0.000) 5.310 2.348 ( 0.000 5.749 0.000) 5.749 2.377 ( 0.000 13.357 0.000) 13.357 2.640 ( 0.000 -0.821 0.000) 0.821 2.706 ( 0.000 1.900 0.000) 1.900 2.819 ( 0.000 6.920 0.000) 6.920 2.901 ( 0.000 3.019 0.000) 3.019 2.933 ( 0.000 -0.157 0.000) 0.157 2.963 ( 0.000 5.989 0.000) 5.989 3.092 ( 0.000 8.224 0.000) 8.224 3.116 ( 0.000 0.017 0.000) 0.017 3.428 ( 0.000 3.533 0.000) 3.533 3.451 ( 0.000 11.672 0.000) 11.672 3.500 ( 0.000 9.403 0.000) 9.403 3.760 ( 0.000 2.017 0.000) 2.017 3.822 ( 0.000 9.615 0.000) 9.615 3.853 ( 0.000 7.141 0.000) 7.141 4.290 ( 0.000 0.422 0.000) 0.422 4.387 ( 0.000 -2.323 0.000) 2.323 4.526 ( 0.000 -3.009 0.000) 3.009 4.630 ( 0.000 3.252 0.000) 3.252 4.753 ( 0.000 3.452 0.000) 3.452 4.952 ( 0.000 0.382 0.000) 0.382 5.306 ( 0.000 -0.868 0.000) 0.868 5.407 ( 0.000 -0.537 0.000) 0.537 5.543 ( 0.000 -6.958 0.000) 6.958 5.909 ( 0.000 0.452 0.000) 0.452 6.039 ( 0.000 -8.967 0.000) 8.967 6.089 ( 0.000 -5.425 0.000) 5.425 6.139 ( 0.000 -3.707 0.000) 3.707 6.289 ( 0.000 -6.089 0.000) 6.089 6.723 ( 0.000 -3.889 0.000) 3.889 6.865 ( 0.000 9.969 0.000) 9.969 6.919 ( 0.000 -7.842 0.000) 7.842 6.943 ( 0.000 4.097 0.000) 4.097 7.104 ( 0.000 4.890 0.000) 4.890 7.486 ( 0.000 6.113 0.000) 6.113 7.664 ( 0.000 8.826 0.000) 8.826 7.699 ( 0.000 3.932 0.000) 3.932 7.907 ( 0.000 1.030 0.000) 1.030 8.082 ( 0.000 -4.135 0.000) 4.135 8.100 ( 0.000 11.762 0.000) 11.762 8.386 ( 0.000 -3.569 0.000) 3.569 8.592 ( 0.000 -10.030 0.000) 10.030 8.950 ( 0.000 1.923 0.000) 1.923 8.992 ( 0.000 -1.682 0.000) 1.682 9.089 ( 0.000 2.779 0.000) 2.779 9.093 ( 0.000 -4.786 0.000) 4.786 9.158 ( 0.000 2.635 0.000) 2.635 9.161 ( 0.000 -0.381 0.000) 0.381 9.198 ( 0.000 4.719 0.000) 4.719 9.348 ( 0.000 3.274 0.000) 3.274 9.419 ( 0.000 2.617 0.000) 2.617 9.569 ( 0.000 1.303 0.000) 1.303 9.633 ( 0.000 2.939 0.000) 2.939 9.850 ( 0.000 1.836 0.000) 1.836 9.860 ( 0.000 2.263 0.000) 2.263 11.659 ( 0.000 2.119 0.000) 2.119 12.103 ( 0.000 5.041 0.000) 5.041 12.231 ( 0.000 12.359 0.000) 12.359 12.946 ( 0.000 -3.834 0.000) 3.834 13.009 ( 0.000 0.703 0.000) 0.703 13.789 ( 0.000 2.118 0.000) 2.118 13.972 ( 0.000 1.513 0.000) 1.513 14.374 ( 0.000 -2.874 0.000) 2.874 14.700 ( 0.000 1.979 0.000) 1.979 14.751 ( 0.000 1.449 0.000) 1.449 16.952 ( 0.000 -4.839 0.000) 4.839 17.718 ( 0.000 -8.288 0.000) 8.288 18.033 ( 0.000 -6.998 0.000) 6.998 18.046 ( 0.000 -2.878 0.000) 2.878 18.343 ( 0.000 -3.014 0.000) 3.014 18.648 ( 0.000 -4.187 0.000) 4.187 18.677 ( 0.000 -5.415 0.000) 5.415 18.692 ( 0.000 -10.187 0.000) 10.187 18.851 ( 0.000 -4.084 0.000) 4.084 19.581 ( 0.000 -9.366 0.000) 9.366 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 22.007 9.445 0.000) 23.948 0.892 ( 20.890 20.000 0.000) 28.921 1.521 ( 30.942 28.055 0.000) 41.767 1.570 ( -6.675 3.087 0.000) 7.354 1.864 ( -21.450 15.212 0.000) 26.297 1.962 ( 6.505 14.396 0.000) 15.798 2.003 ( 12.155 14.610 0.000) 19.005 2.197 ( -7.357 10.416 0.000) 12.752 2.243 ( -7.713 7.302 0.000) 10.621 2.437 ( -13.451 9.584 0.000) 16.516 2.514 ( -8.325 6.236 0.000) 10.401 2.644 ( 1.224 7.288 0.000) 7.391 2.838 ( -2.737 3.740 0.000) 4.634 2.949 ( 10.436 1.883 0.000) 10.605 2.956 ( 8.442 1.558 0.000) 8.585 3.143 ( 3.580 7.059 0.000) 7.915 3.170 ( 4.313 0.902 0.000) 4.406 3.273 ( 16.782 0.882 0.000) 16.805 3.301 ( -8.254 1.556 0.000) 8.399 3.416 ( -5.071 10.354 0.000) 11.529 3.581 ( -3.266 8.087 0.000) 8.721 3.687 ( -15.478 6.882 0.000) 16.939 3.780 ( -4.355 14.106 0.000) 14.763 3.899 ( -14.740 6.065 0.000) 15.939 3.926 ( 7.510 3.533 0.000) 8.300 4.254 ( -1.373 1.560 0.000) 2.078 4.556 ( 1.905 -3.109 0.000) 3.646 4.645 ( 9.729 -0.548 0.000) 9.744 4.724 ( -9.950 1.421 0.000) 10.051 5.253 ( -1.687 -2.722 0.000) 3.202 5.307 ( -10.430 -0.754 0.000) 10.457 5.417 ( 26.002 -2.234 0.000) 26.098 5.418 ( -8.022 -5.127 0.000) 9.521 5.956 ( -0.668 -3.383 0.000) 3.448 6.092 ( 3.218 -5.188 0.000) 6.105 6.154 ( 6.348 -7.635 0.000) 9.929 6.209 ( 2.637 -4.813 0.000) 5.488 6.242 ( -3.540 -4.915 0.000) 6.057 6.717 ( -0.004 -3.616 0.000) 3.616 6.796 ( -2.698 -1.857 0.000) 3.275 6.971 ( 2.546 2.893 0.000) 3.854 7.014 ( 3.964 3.433 0.000) 5.244 7.132 ( 1.826 6.617 0.000) 6.864 7.219 ( -7.524 12.899 0.000) 14.933 7.708 ( 3.717 6.971 0.000) 7.900 7.910 ( 0.575 0.600 0.000) 0.831 7.931 ( 0.707 -3.739 0.000) 3.805 8.018 ( -3.419 -1.826 0.000) 3.876 8.092 ( -0.038 11.556 0.000) 11.556 8.274 ( -7.179 1.138 0.000) 7.269 8.699 ( 6.693 -9.531 0.000) 11.646 8.973 ( 3.454 2.801 0.000) 4.447 8.979 ( -3.041 -4.097 0.000) 5.102 9.060 ( -0.256 -3.083 0.000) 3.094 9.127 ( 2.821 -5.559 0.000) 6.234 9.178 ( -0.551 -1.099 0.000) 1.230 9.194 ( 2.967 1.928 0.000) 3.539 9.247 ( 4.406 9.273 0.000) 10.266 9.343 ( -0.186 0.069 0.000) 0.199 9.409 ( -1.235 4.699 0.000) 4.858 9.561 ( -0.722 2.079 0.000) 2.201 9.596 ( -2.839 4.331 0.000) 5.179 9.853 ( 0.290 2.044 0.000) 2.065 9.862 ( 0.069 2.186 0.000) 2.187 11.582 ( -5.080 5.071 0.000) 7.178 11.760 ( -23.794 31.393 0.000) 39.391 12.205 ( 8.052 6.552 0.000) 10.381 12.690 ( -11.718 15.056 0.000) 19.078 12.986 ( -1.914 0.358 0.000) 1.947 13.086 ( -17.223 6.122 0.000) 18.279 13.837 ( 2.469 2.510 0.000) 3.521 13.950 ( -1.926 1.605 0.000) 2.507 15.081 ( 30.202 0.020 0.000) 30.202 16.586 ( -28.241 -4.742 0.000) 28.636 16.628 ( 46.029 -44.799 0.000) 64.231 17.733 ( -19.563 -11.982 0.000) 22.940 17.849 ( 6.979 -5.101 0.000) 8.644 18.017 ( -2.270 -2.842 0.000) 3.638 18.376 ( 2.821 -3.370 0.000) 4.395 18.611 ( -3.738 -4.626 0.000) 5.947 18.699 ( 5.256 -5.390 0.000) 7.528 18.846 ( -0.697 -4.526 0.000) 4.579 19.015 ( 18.492 -10.228 0.000) 21.132 19.608 ( -3.153 -16.098 0.000) 16.404 ======================= Grid point 7 (6/63) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -16.867 4.280 0.000) 17.401 1.205 ( 16.867 4.280 0.000) 17.401 1.387 ( -18.787 16.524 0.000) 25.019 1.387 ( 18.787 16.524 0.000) 25.019 2.100 ( -3.995 15.933 0.000) 16.426 2.100 ( 3.995 15.933 0.000) 16.426 2.130 ( -13.511 4.772 0.000) 14.329 2.130 ( 13.511 4.772 0.000) 14.329 2.166 ( -14.514 11.674 0.000) 18.627 2.166 ( 14.514 11.674 0.000) 18.627 2.672 ( -35.594 9.902 0.000) 36.946 2.672 ( 35.594 9.902 0.000) 36.946 2.749 ( -0.703 8.094 0.000) 8.124 2.749 ( 0.703 8.094 0.000) 8.124 3.134 ( -0.864 1.676 0.000) 1.885 3.134 ( 0.864 1.676 0.000) 1.885 3.220 ( -3.817 1.017 0.000) 3.950 3.220 ( 3.817 1.017 0.000) 3.950 3.306 ( -0.612 8.400 0.000) 8.423 3.306 ( 0.612 8.400 0.000) 8.423 3.618 ( -5.068 6.695 0.000) 8.397 3.618 ( 5.068 6.695 0.000) 8.397 3.701 ( -5.364 7.882 0.000) 9.534 3.701 ( 5.364 7.882 0.000) 9.534 4.163 ( -11.285 3.068 0.000) 11.694 4.163 ( 11.285 3.068 0.000) 11.694 4.557 ( -0.940 -0.275 0.000) 0.979 4.557 ( 0.940 -0.275 0.000) 0.979 4.982 ( -16.228 -0.688 0.000) 16.243 4.982 ( 16.228 -0.688 0.000) 16.243 5.280 ( -4.139 -3.569 0.000) 5.465 5.280 ( 4.139 -3.569 0.000) 5.465 5.844 ( -11.431 -5.419 0.000) 12.651 5.844 ( 11.431 -5.419 0.000) 12.651 6.152 ( -2.534 -4.144 0.000) 4.858 6.152 ( 2.534 -4.144 0.000) 4.858 6.237 ( -0.004 -4.973 0.000) 4.973 6.237 ( 0.004 -4.973 0.000) 4.973 6.742 ( -2.133 -2.929 0.000) 3.623 6.742 ( 2.133 -2.929 0.000) 3.623 7.034 ( -2.137 2.029 0.000) 2.947 7.034 ( 2.137 2.029 0.000) 2.947 7.156 ( -0.334 9.994 0.000) 10.000 7.156 ( 0.334 9.994 0.000) 10.000 7.819 ( -6.210 1.111 0.000) 6.309 7.819 ( 6.210 1.111 0.000) 6.309 7.950 ( -3.083 1.462 0.000) 3.412 7.950 ( 3.083 1.462 0.000) 3.412 8.135 ( -4.461 8.269 0.000) 9.396 8.135 ( 4.461 8.269 0.000) 9.396 8.854 ( -7.036 -7.383 0.000) 10.199 8.854 ( 7.036 -7.383 0.000) 10.199 9.073 ( -2.015 -4.362 0.000) 4.805 9.073 ( 2.015 -4.362 0.000) 4.805 9.126 ( -1.233 0.877 0.000) 1.513 9.126 ( 1.233 0.877 0.000) 1.513 9.322 ( -3.099 6.312 0.000) 7.032 9.322 ( 3.099 6.312 0.000) 7.032 9.338 ( -5.090 -2.092 0.000) 5.503 9.338 ( 5.090 -2.092 0.000) 5.503 9.551 ( -0.461 5.464 0.000) 5.483 9.551 ( 0.461 5.464 0.000) 5.483 9.860 ( -0.253 2.146 0.000) 2.161 9.860 ( 0.253 2.146 0.000) 2.161 11.521 ( -1.390 14.838 0.000) 14.903 11.521 ( 1.390 14.838 0.000) 14.903 12.429 ( -11.832 11.479 0.000) 16.485 12.429 ( 11.832 11.479 0.000) 16.485 12.950 ( -0.222 -0.926 0.000) 0.952 12.950 ( 0.222 -0.926 0.000) 0.952 13.896 ( -2.722 1.960 0.000) 3.355 13.896 ( 2.722 1.960 0.000) 3.355 15.848 ( -36.311 -2.742 0.000) 36.414 15.848 ( 36.311 -2.742 0.000) 36.414 17.279 ( -21.719 -21.071 0.000) 30.260 17.279 ( 21.719 -21.071 0.000) 30.260 17.957 ( -3.254 -3.444 0.000) 4.738 17.957 ( 3.254 -3.444 0.000) 4.738 18.490 ( -6.478 -4.315 0.000) 7.783 18.490 ( 6.478 -4.315 0.000) 7.783 18.804 ( -3.403 -5.099 0.000) 6.130 18.804 ( 3.403 -5.099 0.000) 6.130 19.397 ( -14.706 -12.894 0.000) 19.558 19.397 ( 14.706 -12.894 0.000) 19.558 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 0.000 20.196 0.000) 20.196 1.098 ( 0.000 27.553 0.000) 27.553 1.651 ( 0.000 6.860 0.000) 6.860 2.057 ( 0.000 37.515 0.000) 37.515 2.065 ( 0.000 3.757 0.000) 3.757 2.393 ( 0.000 19.974 0.000) 19.974 2.462 ( 0.000 6.808 0.000) 6.808 2.467 ( 0.000 14.398 0.000) 14.398 2.565 ( 0.000 3.023 0.000) 3.023 2.599 ( 0.000 7.773 0.000) 7.773 2.683 ( 0.000 12.879 0.000) 12.879 2.689 ( 0.000 -2.162 0.000) 2.162 2.938 ( 0.000 0.911 0.000) 0.911 2.983 ( 0.000 4.451 0.000) 4.451 3.131 ( 0.000 2.210 0.000) 2.210 3.132 ( 0.000 20.107 0.000) 20.107 3.142 ( 0.000 12.258 0.000) 12.258 3.293 ( 0.000 12.543 0.000) 12.543 3.504 ( 0.000 3.735 0.000) 3.735 3.726 ( 0.000 12.010 0.000) 12.010 3.789 ( 0.000 17.727 0.000) 17.727 3.798 ( 0.000 1.008 0.000) 1.008 3.945 ( 0.000 8.820 0.000) 8.820 4.244 ( 0.000 25.075 0.000) 25.075 4.283 ( 0.000 -3.308 0.000) 3.308 4.403 ( 0.000 8.678 0.000) 8.678 4.444 ( 0.000 -4.743 0.000) 4.743 4.745 ( 0.000 7.299 0.000) 7.299 4.884 ( 0.000 10.031 0.000) 10.031 4.964 ( 0.000 1.613 0.000) 1.613 5.328 ( 0.000 4.525 0.000) 4.525 5.350 ( 0.000 -11.826 0.000) 11.826 5.400 ( 0.000 -0.267 0.000) 0.267 5.804 ( 0.000 -13.627 0.000) 13.627 5.879 ( 0.000 -7.876 0.000) 7.876 5.981 ( 0.000 -0.431 0.000) 0.431 6.036 ( 0.000 -5.971 0.000) 5.971 6.137 ( 0.000 -8.470 0.000) 8.470 6.639 ( 0.000 -4.329 0.000) 4.329 6.713 ( 0.000 -11.915 0.000) 11.915 7.029 ( 0.000 4.175 0.000) 4.175 7.073 ( 0.000 9.221 0.000) 9.221 7.212 ( 0.000 5.565 0.000) 5.565 7.603 ( 0.000 4.189 0.000) 4.189 7.802 ( 0.000 4.927 0.000) 4.927 7.851 ( 0.000 8.420 0.000) 8.420 7.932 ( 0.000 1.239 0.000) 1.239 7.994 ( 0.000 -3.780 0.000) 3.780 8.280 ( 0.000 -5.145 0.000) 5.145 8.371 ( 0.000 12.395 0.000) 12.395 8.418 ( 0.000 -7.729 0.000) 7.729 8.917 ( 0.000 -6.916 0.000) 6.916 8.998 ( 0.000 -5.473 0.000) 5.473 9.002 ( 0.000 -2.407 0.000) 2.407 9.008 ( 0.000 1.321 0.000) 1.321 9.159 ( 0.000 0.444 0.000) 0.444 9.196 ( 0.000 2.131 0.000) 2.131 9.409 ( 0.000 10.377 0.000) 10.377 9.422 ( 0.000 2.661 0.000) 2.661 9.475 ( 0.000 2.206 0.000) 2.206 9.583 ( 0.000 0.087 0.000) 0.087 9.717 ( 0.000 5.508 0.000) 5.508 9.942 ( 0.000 7.325 0.000) 7.325 9.952 ( 0.000 7.070 0.000) 7.070 11.713 ( 0.000 3.325 0.000) 3.325 12.259 ( 0.000 10.635 0.000) 10.635 12.572 ( 0.000 20.434 0.000) 20.434 12.852 ( 0.000 -4.612 0.000) 4.612 13.058 ( 0.000 4.826 0.000) 4.826 13.854 ( 0.000 4.161 0.000) 4.161 14.010 ( 0.000 2.035 0.000) 2.035 14.294 ( 0.000 -4.779 0.000) 4.779 14.754 ( 0.000 3.242 0.000) 3.242 14.793 ( 0.000 2.673 0.000) 2.673 16.805 ( 0.000 -9.797 0.000) 9.797 17.430 ( 0.000 -19.986 0.000) 19.986 17.895 ( 0.000 -5.919 0.000) 5.919 17.962 ( 0.000 -5.312 0.000) 5.312 18.256 ( 0.000 -5.653 0.000) 5.653 18.427 ( 0.000 -14.505 0.000) 14.505 18.531 ( 0.000 -8.577 0.000) 8.577 18.534 ( 0.000 -6.803 0.000) 6.803 18.735 ( 0.000 -7.237 0.000) 7.237 19.316 ( 0.000 -16.314 0.000) 16.314 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 13.523 14.927 0.000) 20.141 1.294 ( 15.663 20.365 0.000) 25.692 1.639 ( -7.257 4.839 0.000) 8.723 1.961 ( 3.572 10.656 0.000) 11.239 2.167 ( -21.053 12.731 0.000) 24.603 2.309 ( 6.486 14.997 0.000) 16.339 2.377 ( -6.567 8.079 0.000) 10.411 2.390 ( 10.117 24.869 0.000) 26.848 2.458 ( -8.456 -1.229 0.000) 8.544 2.574 ( 6.189 21.593 0.000) 22.463 2.761 ( 5.786 2.742 0.000) 6.403 2.889 ( 2.643 2.246 0.000) 3.468 2.924 ( -12.279 21.474 0.000) 24.737 3.022 ( 6.953 6.365 0.000) 9.426 3.051 ( 0.344 8.389 0.000) 8.396 3.187 ( 4.765 3.027 0.000) 5.645 3.307 ( 13.748 5.110 0.000) 14.667 3.333 ( 3.368 10.351 0.000) 10.886 3.450 ( -0.920 10.600 0.000) 10.640 3.669 ( -12.391 3.066 0.000) 12.765 3.697 ( -6.570 16.187 0.000) 17.469 3.863 ( 5.134 6.515 0.000) 8.295 4.059 ( 8.691 10.734 0.000) 13.811 4.106 ( -17.128 11.794 0.000) 20.796 4.178 ( -5.533 23.632 0.000) 24.271 4.344 ( -0.820 8.772 0.000) 8.811 4.478 ( 2.824 -4.337 0.000) 5.176 4.678 ( 4.301 6.292 0.000) 7.621 4.769 ( -4.971 2.378 0.000) 5.510 5.218 ( -4.073 0.995 0.000) 4.193 5.244 ( -9.140 -8.530 0.000) 12.502 5.338 ( -5.130 0.784 0.000) 5.190 5.372 ( 18.833 -1.578 0.000) 18.899 5.834 ( -3.752 -9.413 0.000) 10.133 5.951 ( 8.343 -11.808 0.000) 14.458 6.011 ( 2.353 -2.762 0.000) 3.628 6.087 ( 2.554 -6.152 0.000) 6.662 6.116 ( -1.470 -7.106 0.000) 7.256 6.634 ( -0.166 -4.306 0.000) 4.309 6.667 ( -2.300 -8.894 0.000) 9.187 7.006 ( -0.518 1.244 0.000) 1.348 7.087 ( -0.613 2.654 0.000) 2.724 7.299 ( 6.018 8.445 0.000) 10.370 7.490 ( -4.384 12.281 0.000) 13.040 7.845 ( -0.899 5.120 0.000) 5.199 7.877 ( -1.227 -2.687 0.000) 2.954 7.950 ( 2.180 3.685 0.000) 4.282 8.012 ( 2.974 1.189 0.000) 3.203 8.282 ( 0.777 -0.019 0.000) 0.778 8.348 ( -1.744 11.529 0.000) 11.661 8.509 ( 6.805 -9.353 0.000) 11.567 8.860 ( -5.552 -7.724 0.000) 9.512 8.989 ( -0.601 -2.548 0.000) 2.618 8.996 ( -0.578 -2.897 0.000) 2.954 9.023 ( 2.579 -2.211 0.000) 3.397 9.172 ( 0.180 0.414 0.000) 0.451 9.220 ( 3.513 3.007 0.000) 4.624 9.346 ( -2.876 -0.098 0.000) 2.878 9.445 ( 0.623 6.828 0.000) 6.857 9.497 ( -1.379 2.398 0.000) 2.766 9.590 ( 1.712 1.520 0.000) 2.290 9.701 ( -1.287 6.126 0.000) 6.260 9.948 ( 0.478 7.275 0.000) 7.291 9.955 ( 0.213 7.156 0.000) 7.159 11.712 ( 1.483 7.531 0.000) 7.676 12.274 ( -22.831 21.119 0.000) 31.101 12.393 ( 11.278 12.031 0.000) 16.491 12.834 ( 1.418 2.822 0.000) 3.158 13.028 ( -2.693 4.626 0.000) 5.353 13.360 ( -35.251 16.514 0.000) 38.928 13.902 ( 1.728 3.500 0.000) 3.904 13.990 ( -1.649 2.208 0.000) 2.756 15.079 ( 26.823 -0.297 0.000) 26.824 15.912 ( 49.407 -25.803 0.000) 55.739 16.446 ( -26.683 -9.002 0.000) 28.161 17.354 ( -18.175 -23.369 0.000) 29.605 17.763 ( 2.644 -4.155 0.000) 4.925 17.936 ( -2.191 -5.108 0.000) 5.558 18.288 ( 1.890 -5.052 0.000) 5.394 18.492 ( -3.774 -6.866 0.000) 7.835 18.552 ( 6.276 -8.807 0.000) 10.815 18.720 ( -1.421 -7.658 0.000) 7.789 18.747 ( 16.272 -15.272 0.000) 22.316 19.272 ( -4.769 -17.749 0.000) 18.379 ======================= Grid point 12 (9/63) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( -16.620 8.376 0.000) 18.611 1.336 ( 16.620 8.376 0.000) 18.611 1.704 ( -20.266 13.790 0.000) 24.513 1.704 ( 20.266 13.790 0.000) 24.513 2.195 ( -13.489 3.299 0.000) 13.887 2.195 ( 13.489 3.299 0.000) 13.887 2.303 ( -0.559 11.207 0.000) 11.221 2.303 ( 0.559 11.207 0.000) 11.221 2.670 ( -9.841 24.951 0.000) 26.822 2.670 ( 9.841 24.951 0.000) 26.822 2.828 ( -3.554 2.717 0.000) 4.473 2.828 ( 3.554 2.717 0.000) 4.473 2.938 ( -9.299 7.853 0.000) 12.171 2.938 ( 9.299 7.853 0.000) 12.171 3.225 ( -12.652 6.133 0.000) 14.060 3.225 ( 12.652 6.133 0.000) 14.060 3.346 ( -1.070 15.624 0.000) 15.661 3.346 ( 1.070 15.624 0.000) 15.661 3.534 ( -5.558 12.701 0.000) 13.864 3.534 ( 5.558 12.701 0.000) 13.864 3.676 ( -15.520 2.947 0.000) 15.798 3.676 ( 15.520 2.947 0.000) 15.798 4.036 ( -6.041 20.514 0.000) 21.385 4.036 ( 6.041 20.514 0.000) 21.385 4.274 ( -8.385 8.283 0.000) 11.786 4.274 ( 8.385 8.283 0.000) 11.786 4.555 ( -4.894 0.065 0.000) 4.894 4.555 ( 4.894 0.065 0.000) 4.894 4.980 ( -13.601 -0.201 0.000) 13.602 4.980 ( 13.601 -0.201 0.000) 13.602 5.220 ( -4.022 0.036 0.000) 4.022 5.220 ( 4.022 0.036 0.000) 4.022 5.697 ( -9.901 -8.624 0.000) 13.131 5.697 ( 9.901 -8.624 0.000) 13.131 6.041 ( -0.143 -7.736 0.000) 7.738 6.041 ( 0.143 -7.736 0.000) 7.738 6.110 ( -0.666 -6.256 0.000) 6.291 6.110 ( 0.666 -6.256 0.000) 6.291 6.640 ( -0.564 -5.850 0.000) 5.877 6.640 ( 0.564 -5.850 0.000) 5.877 7.034 ( -2.853 -0.883 0.000) 2.987 7.034 ( 2.853 -0.883 0.000) 2.987 7.417 ( -3.890 12.432 0.000) 13.027 7.417 ( 3.890 12.432 0.000) 13.027 7.832 ( -0.727 0.451 0.000) 0.856 7.832 ( 0.727 0.451 0.000) 0.856 8.015 ( -2.638 4.213 0.000) 4.971 8.015 ( 2.638 4.213 0.000) 4.971 8.310 ( -1.563 7.463 0.000) 7.625 8.310 ( 1.563 7.463 0.000) 7.625 8.689 ( -8.906 -8.809 0.000) 12.527 8.689 ( 8.906 -8.809 0.000) 12.527 8.986 ( -0.229 -3.551 0.000) 3.559 8.986 ( 0.229 -3.551 0.000) 3.559 9.116 ( -4.658 -1.458 0.000) 4.881 9.116 ( 4.658 -1.458 0.000) 4.881 9.322 ( -2.635 1.585 0.000) 3.075 9.322 ( 2.635 1.585 0.000) 3.075 9.431 ( -1.266 1.353 0.000) 1.853 9.431 ( 1.266 1.353 0.000) 1.853 9.655 ( -2.974 5.391 0.000) 6.157 9.655 ( 2.974 5.391 0.000) 6.157 9.957 ( -0.147 7.263 0.000) 7.265 9.957 ( 0.147 7.263 0.000) 7.265 11.854 ( -12.608 16.632 0.000) 20.871 11.854 ( 12.608 16.632 0.000) 20.871 12.725 ( -17.497 16.822 0.000) 24.272 12.725 ( 17.497 16.822 0.000) 24.272 12.958 ( -1.785 2.849 0.000) 3.362 12.958 ( 1.785 2.849 0.000) 3.362 13.947 ( -2.127 2.820 0.000) 3.532 13.947 ( 2.127 2.820 0.000) 3.532 15.768 ( -32.882 -5.201 0.000) 33.290 15.768 ( 32.882 -5.201 0.000) 33.290 16.780 ( -31.429 -25.782 0.000) 40.650 16.780 ( 31.429 -25.782 0.000) 40.650 17.868 ( -4.082 -5.199 0.000) 6.610 17.868 ( 4.082 -5.199 0.000) 6.610 18.379 ( -5.706 -6.316 0.000) 8.511 18.379 ( 5.706 -6.316 0.000) 8.511 18.664 ( -3.774 -8.299 0.000) 9.117 18.664 ( 3.774 -8.299 0.000) 9.117 19.081 ( -12.478 -17.521 0.000) 21.510 19.081 ( 12.478 -17.521 0.000) 21.510 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( 0.000 18.936 0.000) 18.936 1.638 ( 0.000 25.259 0.000) 25.259 1.809 ( 0.000 8.642 0.000) 8.642 2.170 ( 0.000 6.904 0.000) 6.904 2.489 ( 0.000 -4.981 0.000) 4.981 2.503 ( 0.000 12.115 0.000) 12.115 2.578 ( 0.000 -5.851 0.000) 5.851 2.625 ( 0.000 6.523 0.000) 6.523 2.682 ( 0.000 9.726 0.000) 9.726 2.791 ( 0.000 8.939 0.000) 8.939 2.852 ( 0.000 16.093 0.000) 16.093 2.898 ( 0.000 5.641 0.000) 5.641 2.992 ( 0.000 5.273 0.000) 5.273 3.078 ( 0.000 5.215 0.000) 5.215 3.235 ( 0.000 7.264 0.000) 7.264 3.402 ( 0.000 11.008 0.000) 11.008 3.450 ( 0.000 8.875 0.000) 8.875 3.599 ( 0.000 6.276 0.000) 6.276 3.673 ( 0.000 24.216 0.000) 24.216 3.785 ( 0.000 -2.091 0.000) 2.091 3.833 ( 0.000 -0.589 0.000) 0.589 4.111 ( 0.000 9.823 0.000) 9.823 4.190 ( 0.000 -5.151 0.000) 5.151 4.230 ( 0.000 19.284 0.000) 19.284 4.394 ( 0.000 4.168 0.000) 4.168 4.749 ( 0.000 22.101 0.000) 22.101 4.775 ( 0.000 -5.035 0.000) 5.035 4.794 ( 0.000 27.912 0.000) 27.912 5.077 ( 0.000 -14.838 0.000) 14.838 5.152 ( 0.000 14.024 0.000) 14.024 5.159 ( 0.000 18.050 0.000) 18.050 5.359 ( 0.000 -5.417 0.000) 5.417 5.514 ( 0.000 13.141 0.000) 13.141 5.528 ( 0.000 -10.883 0.000) 10.883 5.624 ( 0.000 -15.525 0.000) 15.525 5.941 ( 0.000 -2.048 0.000) 2.048 5.968 ( 0.000 -7.682 0.000) 7.682 6.056 ( 0.000 6.392 0.000) 6.392 6.477 ( 0.000 -10.063 0.000) 10.063 6.551 ( 0.000 -4.271 0.000) 4.271 7.112 ( 0.000 4.252 0.000) 4.252 7.220 ( 0.000 5.554 0.000) 5.554 7.334 ( 0.000 6.694 0.000) 6.694 7.630 ( 0.000 -1.482 0.000) 1.482 7.813 ( 0.000 -4.426 0.000) 4.426 7.946 ( 0.000 -1.029 0.000) 1.029 7.951 ( 0.000 0.445 0.000) 0.445 7.986 ( 0.000 5.112 0.000) 5.112 8.257 ( 0.000 -8.421 0.000) 8.421 8.260 ( 0.000 3.275 0.000) 3.275 8.522 ( 0.000 2.376 0.000) 2.376 8.753 ( 0.000 -8.305 0.000) 8.305 8.924 ( 0.000 -1.945 0.000) 1.945 8.951 ( 0.000 -5.690 0.000) 5.690 8.969 ( 0.000 -1.755 0.000) 1.755 9.190 ( 0.000 2.176 0.000) 2.176 9.273 ( 0.000 4.677 0.000) 4.677 9.422 ( 0.000 -2.524 0.000) 2.524 9.485 ( 0.000 -1.201 0.000) 1.201 9.531 ( 0.000 0.526 0.000) 0.526 9.621 ( 0.000 4.953 0.000) 4.953 9.841 ( 0.000 5.810 0.000) 5.810 10.100 ( 0.000 6.609 0.000) 6.609 10.105 ( 0.000 5.518 0.000) 5.518 11.831 ( 0.000 10.078 0.000) 10.078 12.541 ( 0.000 17.267 0.000) 17.267 12.776 ( 0.000 -0.559 0.000) 0.559 13.042 ( 0.000 23.780 0.000) 23.780 13.225 ( 0.000 11.797 0.000) 11.797 13.933 ( 0.000 2.095 0.000) 2.095 14.046 ( 0.000 1.355 0.000) 1.355 14.210 ( 0.000 -1.982 0.000) 1.982 14.825 ( 0.000 3.551 0.000) 3.551 14.855 ( 0.000 3.276 0.000) 3.276 16.551 ( 0.000 -15.410 0.000) 15.410 16.949 ( 0.000 -26.648 0.000) 26.648 17.793 ( 0.000 -4.364 0.000) 4.364 17.837 ( 0.000 -6.787 0.000) 6.787 18.068 ( 0.000 -12.790 0.000) 12.790 18.207 ( 0.000 -6.210 0.000) 6.210 18.352 ( 0.000 -8.625 0.000) 8.625 18.387 ( 0.000 -7.387 0.000) 7.387 18.570 ( 0.000 -8.672 0.000) 8.672 18.945 ( 0.000 -19.770 0.000) 19.770 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 7.663 16.055 0.000) 17.790 1.684 ( 1.902 14.530 0.000) 14.654 1.787 ( -1.553 12.746 0.000) 12.840 2.143 ( 1.466 8.862 0.000) 8.982 2.321 ( -17.943 1.683 0.000) 18.022 2.422 ( -6.159 -1.622 0.000) 6.369 2.572 ( 2.341 12.604 0.000) 12.820 2.578 ( -1.343 12.502 0.000) 12.574 2.723 ( 5.227 8.008 0.000) 9.563 2.763 ( 3.960 -1.254 0.000) 4.154 2.845 ( -0.492 4.506 0.000) 4.533 3.025 ( 6.864 10.562 0.000) 12.596 3.117 ( -5.014 1.871 0.000) 5.351 3.169 ( 3.584 7.910 0.000) 8.684 3.259 ( 7.678 8.321 0.000) 11.322 3.416 ( -0.712 13.161 0.000) 13.180 3.431 ( 5.523 8.188 0.000) 9.876 3.613 ( 1.089 4.285 0.000) 4.422 3.671 ( 0.430 20.011 0.000) 20.015 3.740 ( -3.021 3.088 0.000) 4.320 3.933 ( 4.951 1.231 0.000) 5.102 4.026 ( -5.999 14.517 0.000) 15.707 4.205 ( 2.578 -1.895 0.000) 3.200 4.357 ( 6.104 16.383 0.000) 17.483 4.412 ( 5.275 3.054 0.000) 6.095 4.637 ( -8.507 18.403 0.000) 20.274 4.680 ( -9.800 22.608 0.000) 24.641 4.752 ( -2.534 -4.109 0.000) 4.828 4.987 ( -4.798 22.154 0.000) 22.668 5.032 ( -3.580 -10.750 0.000) 11.331 5.328 ( -1.756 2.619 0.000) 3.153 5.367 ( 0.087 -0.601 0.000) 0.607 5.407 ( 7.465 11.003 0.000) 13.296 5.609 ( -1.356 -11.543 0.000) 11.623 5.731 ( 7.415 -6.917 0.000) 10.140 5.910 ( -2.630 -4.693 0.000) 5.380 5.974 ( 1.118 -6.378 0.000) 6.475 6.059 ( -0.335 2.788 0.000) 2.808 6.495 ( 1.752 -6.786 0.000) 7.009 6.551 ( -0.085 -3.780 0.000) 3.781 7.043 ( -3.319 2.751 0.000) 4.310 7.122 ( -6.046 1.142 0.000) 6.153 7.453 ( 7.692 6.895 0.000) 10.331 7.664 ( 0.156 4.455 0.000) 4.457 7.819 ( 0.284 -2.984 0.000) 2.998 7.901 ( -2.806 0.924 0.000) 2.954 8.026 ( 6.159 -0.091 0.000) 6.160 8.041 ( 3.121 4.389 0.000) 5.386 8.276 ( 3.021 -4.259 0.000) 5.221 8.350 ( 6.614 -2.420 0.000) 7.043 8.485 ( -3.305 1.512 0.000) 3.635 8.703 ( -4.902 -6.901 0.000) 8.465 8.930 ( 0.195 -2.257 0.000) 2.265 8.951 ( -1.152 -1.734 0.000) 2.081 8.970 ( 2.661 -3.864 0.000) 4.692 9.195 ( -2.319 1.178 0.000) 2.601 9.291 ( 1.873 2.756 0.000) 3.333 9.328 ( -1.825 -1.874 0.000) 2.616 9.482 ( -3.289 -2.823 0.000) 4.335 9.491 ( -3.619 -0.213 0.000) 3.625 9.664 ( 3.687 4.508 0.000) 5.824 9.829 ( -1.563 5.421 0.000) 5.642 10.099 ( -0.063 5.940 0.000) 5.941 10.101 ( -0.200 5.007 0.000) 5.011 11.904 ( 7.238 12.621 0.000) 14.550 12.586 ( -17.627 9.156 0.000) 19.863 12.690 ( 12.882 17.289 0.000) 21.560 13.013 ( 1.979 17.143 0.000) 17.257 13.196 ( -2.694 12.162 0.000) 12.457 13.654 ( -29.950 12.134 0.000) 32.314 13.966 ( 1.859 3.045 0.000) 3.567 14.031 ( -1.230 1.624 0.000) 2.037 15.069 ( 21.905 -0.681 0.000) 21.915 15.529 ( 37.330 -13.498 0.000) 39.695 16.225 ( -23.538 -12.781 0.000) 26.784 16.839 ( -16.113 -26.891 0.000) 31.349 17.679 ( 0.095 -3.913 0.000) 3.914 17.816 ( -1.897 -6.541 0.000) 6.811 18.183 ( 1.445 -5.175 0.000) 5.373 18.347 ( -3.515 -7.205 0.000) 8.016 18.351 ( 10.826 -11.407 0.000) 15.727 18.444 ( 9.319 -13.099 0.000) 16.076 18.549 ( -1.896 -8.825 0.000) 9.027 18.890 ( -5.165 -19.717 0.000) 20.383 ======================= Grid point 17 (12/63) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( -11.205 9.947 0.000) 14.983 1.525 ( 11.205 9.947 0.000) 14.983 1.955 ( -13.713 11.368 0.000) 17.813 1.955 ( 13.713 11.368 0.000) 17.813 2.264 ( -7.637 3.557 0.000) 8.425 2.264 ( 7.637 3.557 0.000) 8.425 2.576 ( -0.587 15.582 0.000) 15.593 2.576 ( 0.587 15.582 0.000) 15.593 2.812 ( -0.163 -2.658 0.000) 2.663 2.812 ( 0.163 -2.658 0.000) 2.663 2.939 ( -8.534 3.488 0.000) 9.219 2.939 ( 8.534 3.488 0.000) 9.219 3.147 ( -3.589 11.266 0.000) 11.823 3.147 ( 3.589 11.266 0.000) 11.823 3.383 ( -4.896 9.575 0.000) 10.754 3.383 ( 4.896 9.575 0.000) 10.754 3.602 ( -4.323 5.007 0.000) 6.615 3.602 ( 4.323 5.007 0.000) 6.615 3.702 ( -1.182 4.868 0.000) 5.009 3.702 ( 1.182 4.868 0.000) 5.009 3.924 ( -0.479 17.230 0.000) 17.237 3.924 ( 0.479 17.230 0.000) 17.237 4.403 ( -13.017 9.539 0.000) 16.138 4.403 ( 13.017 9.539 0.000) 16.138 4.468 ( -5.708 11.341 0.000) 12.696 4.468 ( 5.708 11.341 0.000) 12.696 4.620 ( -9.479 8.368 0.000) 12.644 4.620 ( 9.479 8.368 0.000) 12.644 4.953 ( -2.227 1.426 0.000) 2.645 4.953 ( 2.227 1.426 0.000) 2.645 5.342 ( -2.190 7.634 0.000) 7.942 5.342 ( 2.190 7.634 0.000) 7.942 5.552 ( -4.314 -2.039 0.000) 4.771 5.552 ( 4.314 -2.039 0.000) 4.771 5.840 ( -3.462 -10.130 0.000) 10.706 5.840 ( 3.462 -10.130 0.000) 10.706 6.025 ( -2.645 -1.982 0.000) 3.305 6.025 ( 2.645 -1.982 0.000) 3.305 6.537 ( -1.426 -3.853 0.000) 4.108 6.537 ( 1.426 -3.853 0.000) 4.108 7.025 ( -2.020 0.389 0.000) 2.057 7.025 ( 2.020 0.389 0.000) 2.057 7.604 ( -5.271 6.118 0.000) 8.076 7.604 ( 5.271 6.118 0.000) 8.076 7.844 ( -2.073 0.364 0.000) 2.105 7.844 ( 2.073 0.364 0.000) 2.105 8.094 ( -0.713 3.225 0.000) 3.302 8.094 ( 0.713 3.225 0.000) 3.302 8.382 ( -5.663 -1.701 0.000) 5.912 8.382 ( 5.663 -1.701 0.000) 5.912 8.537 ( -9.262 -4.329 0.000) 10.224 8.537 ( 9.262 -4.329 0.000) 10.224 8.933 ( -0.352 -1.848 0.000) 1.882 8.933 ( 0.352 -1.848 0.000) 1.882 9.076 ( -6.113 -2.402 0.000) 6.568 9.076 ( 6.113 -2.402 0.000) 6.568 9.368 ( -4.801 -3.573 0.000) 5.985 9.368 ( 4.801 -3.573 0.000) 5.985 9.391 ( -4.388 1.788 0.000) 4.738 9.391 ( 4.388 1.788 0.000) 4.738 9.760 ( -4.350 4.123 0.000) 5.993 9.760 ( 4.350 4.123 0.000) 5.993 10.099 ( -0.050 4.977 0.000) 4.978 10.099 ( 0.050 4.977 0.000) 4.978 12.171 ( -16.765 15.185 0.000) 22.620 12.171 ( 16.765 15.185 0.000) 22.620 13.079 ( -21.594 17.412 0.000) 27.740 13.079 ( 21.594 17.412 0.000) 27.740 13.107 ( -4.718 12.670 0.000) 13.520 13.107 ( 4.718 12.670 0.000) 13.520 14.001 ( -1.386 2.405 0.000) 2.776 14.001 ( 1.386 2.405 0.000) 2.776 15.642 ( -27.763 -7.165 0.000) 28.673 15.642 ( 27.763 -7.165 0.000) 28.673 16.291 ( -30.762 -22.271 0.000) 37.978 16.291 ( 30.762 -22.271 0.000) 37.978 17.753 ( -3.863 -6.007 0.000) 7.142 17.753 ( 3.863 -6.007 0.000) 7.142 18.250 ( -4.482 -6.162 0.000) 7.620 18.250 ( 4.482 -6.162 0.000) 7.620 18.486 ( -3.940 -8.970 0.000) 9.798 18.486 ( 3.940 -8.970 0.000) 9.798 18.711 ( -11.017 -18.632 0.000) 21.645 18.711 ( 11.017 -18.632 0.000) 21.645 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 0.000 15.637 0.000) 15.637 1.989 ( 0.000 8.914 0.000) 8.914 2.056 ( 0.000 13.962 0.000) 13.962 2.348 ( 0.000 -8.605 0.000) 8.605 2.383 ( 0.000 15.402 0.000) 15.402 2.445 ( 0.000 -6.581 0.000) 6.581 2.678 ( 0.000 5.760 0.000) 5.760 2.716 ( 0.000 1.337 0.000) 1.337 2.840 ( 0.000 6.963 0.000) 6.963 2.981 ( 0.000 9.417 0.000) 9.417 3.007 ( 0.000 7.185 0.000) 7.185 3.081 ( 0.000 9.328 0.000) 9.328 3.153 ( 0.000 9.986 0.000) 9.986 3.203 ( 0.000 7.400 0.000) 7.400 3.354 ( 0.000 3.806 0.000) 3.806 3.548 ( 0.000 3.060 0.000) 3.060 3.559 ( 0.000 5.071 0.000) 5.071 3.685 ( 0.000 0.531 0.000) 0.531 3.747 ( 0.000 -0.588 0.000) 0.588 3.773 ( 0.000 -4.116 0.000) 4.116 3.999 ( 0.000 2.288 0.000) 2.288 4.084 ( 0.000 -5.209 0.000) 5.209 4.187 ( 0.000 4.280 0.000) 4.280 4.625 ( 0.000 -8.824 0.000) 8.824 4.655 ( 0.000 19.998 0.000) 19.998 4.705 ( 0.000 19.168 0.000) 19.168 4.763 ( 0.000 -15.389 0.000) 15.389 4.985 ( 0.000 -9.551 0.000) 9.551 5.169 ( 0.000 -9.412 0.000) 9.412 5.277 ( 0.000 -14.957 0.000) 14.957 5.311 ( 0.000 15.025 0.000) 15.025 5.330 ( 0.000 21.140 0.000) 21.140 5.563 ( 0.000 18.037 0.000) 18.037 5.656 ( 0.000 17.480 0.000) 17.480 5.765 ( 0.000 5.765 0.000) 5.765 5.904 ( 0.000 8.089 0.000) 8.089 5.930 ( 0.000 -1.760 0.000) 1.760 6.226 ( 0.000 10.138 0.000) 10.138 6.383 ( 0.000 2.374 0.000) 2.374 6.479 ( 0.000 -2.335 0.000) 2.335 7.211 ( 0.000 5.760 0.000) 5.760 7.311 ( 0.000 3.650 0.000) 3.650 7.483 ( 0.000 7.903 0.000) 7.903 7.565 ( 0.000 -4.182 0.000) 4.182 7.687 ( 0.000 -6.561 0.000) 6.561 7.915 ( 0.000 -4.104 0.000) 4.104 7.940 ( 0.000 -1.793 0.000) 1.793 8.070 ( 0.000 3.510 0.000) 3.510 8.112 ( 0.000 -3.729 0.000) 3.729 8.331 ( 0.000 2.001 0.000) 2.001 8.519 ( 0.000 -1.073 0.000) 1.073 8.601 ( 0.000 -6.438 0.000) 6.438 8.835 ( 0.000 -4.897 0.000) 4.897 8.894 ( 0.000 -1.696 0.000) 1.696 8.917 ( 0.000 -3.540 0.000) 3.540 9.192 ( 0.000 -3.235 0.000) 3.235 9.339 ( 0.000 -5.066 0.000) 5.066 9.363 ( 0.000 4.245 0.000) 4.245 9.462 ( 0.000 0.110 0.000) 0.110 9.526 ( 0.000 0.167 0.000) 0.167 9.703 ( 0.000 2.478 0.000) 2.478 9.917 ( 0.000 1.395 0.000) 1.395 10.084 ( 0.000 -7.808 0.000) 7.808 10.158 ( 0.000 -1.348 0.000) 1.348 12.168 ( 0.000 22.816 0.000) 22.816 12.832 ( 0.000 6.258 0.000) 6.258 12.942 ( 0.000 21.533 0.000) 21.533 13.521 ( 0.000 16.938 0.000) 16.938 13.524 ( 0.000 23.108 0.000) 23.108 13.875 ( 0.000 -7.074 0.000) 7.074 14.062 ( 0.000 0.270 0.000) 0.270 14.269 ( 0.000 6.562 0.000) 6.562 14.893 ( 0.000 3.069 0.000) 3.069 14.920 ( 0.000 3.019 0.000) 3.019 16.184 ( 0.000 -20.617 0.000) 20.617 16.385 ( 0.000 -28.568 0.000) 28.568 17.700 ( 0.000 -6.388 0.000) 6.388 17.713 ( 0.000 -3.584 0.000) 3.584 17.833 ( 0.000 -9.606 0.000) 9.606 18.115 ( 0.000 -3.364 0.000) 3.364 18.199 ( 0.000 -6.244 0.000) 6.244 18.242 ( 0.000 -7.048 0.000) 7.048 18.398 ( 0.000 -8.029 0.000) 8.029 18.543 ( 0.000 -19.227 0.000) 19.227 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 3.694 13.784 0.000) 14.270 1.874 ( -6.857 8.089 0.000) 10.605 2.110 ( 1.749 13.428 0.000) 13.541 2.278 ( -6.528 -4.593 0.000) 7.982 2.346 ( -1.604 11.873 0.000) 11.981 2.387 ( -2.791 -1.693 0.000) 3.264 2.728 ( 2.762 2.981 0.000) 4.064 2.728 ( 0.998 -1.615 0.000) 1.898 2.868 ( 0.321 14.715 0.000) 14.719 2.878 ( 3.317 5.383 0.000) 6.323 2.986 ( -3.700 14.208 0.000) 14.681 3.162 ( -5.036 3.285 0.000) 6.013 3.211 ( 4.566 8.142 0.000) 9.335 3.317 ( 5.001 6.671 0.000) 8.338 3.379 ( 10.288 4.949 0.000) 11.416 3.567 ( 0.942 4.622 0.000) 4.717 3.584 ( -0.302 4.259 0.000) 4.270 3.652 ( -0.881 0.206 0.000) 0.904 3.752 ( -0.856 -1.430 0.000) 1.666 3.918 ( 11.918 -2.856 0.000) 12.256 3.943 ( -6.168 4.911 0.000) 7.884 4.108 ( 4.025 -6.368 0.000) 7.533 4.131 ( -2.354 -1.118 0.000) 2.606 4.578 ( -4.848 4.531 0.000) 6.636 4.609 ( -1.505 -8.563 0.000) 8.694 4.721 ( 0.454 7.695 0.000) 7.709 4.801 ( -3.681 -0.210 0.000) 3.687 4.932 ( -4.914 1.442 0.000) 5.121 5.063 ( -0.412 11.606 0.000) 11.613 5.287 ( 0.042 3.559 0.000) 3.560 5.313 ( 2.470 -7.640 0.000) 8.029 5.442 ( -8.109 19.999 0.000) 21.580 5.447 ( 7.559 5.332 0.000) 9.251 5.714 ( 3.396 13.062 0.000) 13.496 5.819 ( -6.303 11.300 0.000) 12.939 5.883 ( -3.821 -0.110 0.000) 3.822 5.898 ( 8.349 3.818 0.000) 9.181 6.192 ( -2.993 10.658 0.000) 11.070 6.438 ( 3.631 1.532 0.000) 3.941 6.493 ( 0.873 -1.493 0.000) 1.730 7.126 ( -4.872 5.520 0.000) 7.363 7.150 ( -7.564 1.974 0.000) 7.818 7.586 ( 6.378 6.441 0.000) 9.065 7.679 ( 2.938 -2.096 0.000) 3.609 7.759 ( 4.660 -2.965 0.000) 5.523 7.890 ( -3.267 -2.133 0.000) 3.902 7.992 ( 7.432 -5.011 0.000) 8.963 8.114 ( 2.437 2.755 0.000) 3.678 8.158 ( 4.700 -2.318 0.000) 5.241 8.372 ( 3.610 0.818 0.000) 3.702 8.454 ( -5.320 -2.549 0.000) 5.900 8.597 ( -1.507 -3.760 0.000) 4.051 8.875 ( 2.671 -3.683 0.000) 4.550 8.904 ( -0.538 -3.063 0.000) 3.110 8.908 ( 2.046 -1.870 0.000) 2.772 9.174 ( -4.819 -4.169 0.000) 6.372 9.258 ( -2.745 -4.669 0.000) 5.416 9.310 ( -4.083 -0.209 0.000) 4.088 9.453 ( -0.908 0.822 0.000) 1.225 9.508 ( -1.611 2.062 0.000) 2.616 9.728 ( 2.284 1.586 0.000) 2.781 9.888 ( -2.930 0.088 0.000) 2.931 10.088 ( 0.588 -6.224 0.000) 6.252 10.141 ( -1.322 -2.073 0.000) 2.458 12.257 ( 7.916 21.957 0.000) 23.340 12.755 ( -8.005 9.599 0.000) 12.499 13.075 ( 11.419 19.855 0.000) 22.905 13.429 ( -3.852 20.852 0.000) 21.205 13.502 ( -1.892 17.305 0.000) 17.409 13.804 ( -12.748 2.064 0.000) 12.914 14.055 ( -0.464 0.946 0.000) 1.054 14.077 ( -5.229 9.094 0.000) 10.490 15.055 ( 15.760 -0.583 0.000) 15.770 15.320 ( 25.009 -8.161 0.000) 26.307 15.933 ( -18.196 -15.990 0.000) 24.224 16.288 ( -12.021 -27.286 0.000) 29.817 17.611 ( -1.490 -2.683 0.000) 3.069 17.684 ( -1.415 -6.065 0.000) 6.228 18.044 ( 8.090 -10.686 0.000) 13.403 18.139 ( 5.247 -5.865 0.000) 7.870 18.208 ( -2.900 -6.693 0.000) 7.294 18.248 ( 3.524 -7.158 0.000) 7.979 18.377 ( -1.888 -7.918 0.000) 8.140 18.495 ( -4.352 -18.563 0.000) 19.067 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -6.250 9.632 0.000) 11.482 1.726 ( 6.250 9.632 0.000) 11.482 2.151 ( -3.439 7.134 0.000) 7.920 2.151 ( 3.439 7.134 0.000) 7.920 2.346 ( -1.221 4.880 0.000) 5.030 2.346 ( 1.221 4.880 0.000) 5.030 2.750 ( -0.545 -2.584 0.000) 2.641 2.750 ( 0.545 -2.584 0.000) 2.641 2.917 ( -2.406 16.195 0.000) 16.373 2.917 ( 2.406 16.195 0.000) 16.373 3.001 ( -6.711 5.323 0.000) 8.566 3.001 ( 6.711 5.323 0.000) 8.566 3.321 ( -4.438 7.221 0.000) 8.476 3.321 ( 4.438 7.221 0.000) 8.476 3.544 ( -3.299 5.530 0.000) 6.439 3.544 ( 3.299 5.530 0.000) 6.439 3.639 ( -5.398 0.357 0.000) 5.410 3.639 ( 5.398 0.357 0.000) 5.410 3.769 ( -7.287 1.118 0.000) 7.372 3.769 ( 7.287 1.118 0.000) 7.372 4.077 ( -3.361 -0.954 0.000) 3.494 4.077 ( 3.361 -0.954 0.000) 3.494 4.409 ( -19.261 -6.879 0.000) 20.452 4.409 ( 19.261 -6.879 0.000) 20.452 4.561 ( -1.894 -4.854 0.000) 5.211 4.561 ( 1.894 -4.854 0.000) 5.211 4.828 ( -3.361 9.597 0.000) 10.169 4.828 ( 3.361 9.597 0.000) 10.169 5.202 ( -8.837 17.028 0.000) 19.184 5.202 ( 8.837 17.028 0.000) 19.184 5.347 ( -0.321 -0.111 0.000) 0.340 5.347 ( 0.321 -0.111 0.000) 0.340 5.636 ( -9.158 4.616 0.000) 10.255 5.636 ( 9.158 4.616 0.000) 10.255 5.790 ( -3.931 5.342 0.000) 6.633 5.790 ( 3.931 5.342 0.000) 6.633 6.082 ( -7.095 9.633 0.000) 11.964 6.082 ( 7.095 9.633 0.000) 11.964 6.495 ( -1.142 -0.082 0.000) 1.145 6.495 ( 1.142 -0.082 0.000) 1.145 7.064 ( -0.077 3.738 0.000) 3.738 7.064 ( 0.077 3.738 0.000) 3.738 7.690 ( -2.264 3.074 0.000) 3.818 7.690 ( 2.264 3.074 0.000) 3.818 7.823 ( -2.534 -2.960 0.000) 3.896 7.823 ( 2.534 -2.960 0.000) 3.896 8.126 ( -2.466 -0.870 0.000) 2.615 8.126 ( 2.466 -0.870 0.000) 2.615 8.305 ( -7.455 -1.994 0.000) 7.717 8.305 ( 7.455 -1.994 0.000) 7.717 8.498 ( -6.935 -1.572 0.000) 7.111 8.498 ( 6.935 -1.572 0.000) 7.111 8.898 ( -0.324 -1.914 0.000) 1.942 8.898 ( 0.324 -1.914 0.000) 1.942 9.023 ( -6.880 -2.829 0.000) 7.439 9.023 ( 6.880 -2.829 0.000) 7.439 9.238 ( -1.102 -6.503 0.000) 6.596 9.238 ( 1.102 -6.503 0.000) 6.595 9.465 ( -1.889 3.356 0.000) 3.851 9.465 ( 1.889 3.356 0.000) 3.851 9.802 ( -4.174 -0.114 0.000) 4.175 9.802 ( 4.174 -0.114 0.000) 4.175 10.110 ( -1.295 -3.862 0.000) 4.074 10.110 ( 1.295 -3.862 0.000) 4.074 12.499 ( -13.019 17.682 0.000) 21.958 12.499 ( 13.019 17.682 0.000) 21.958 13.388 ( -10.585 14.034 0.000) 17.578 13.388 ( 10.585 14.034 0.000) 17.578 13.464 ( -4.490 19.497 0.000) 20.007 13.464 ( 4.490 19.497 0.000) 20.007 14.049 ( -0.000 2.931 0.000) 2.931 14.049 ( 0.000 2.931 0.000) 2.931 15.483 ( -21.203 -8.410 0.000) 22.810 15.483 ( 21.203 -8.410 0.000) 22.810 15.873 ( -23.536 -19.354 0.000) 30.472 15.873 ( 23.536 -19.354 0.000) 30.472 17.639 ( -2.463 -4.840 0.000) 5.431 17.639 ( 2.463 -4.840 0.000) 5.431 18.132 ( -3.390 -5.873 0.000) 6.781 18.132 ( 3.390 -5.873 0.000) 6.781 18.314 ( -4.467 -8.342 0.000) 9.463 18.314 ( 4.467 -8.342 0.000) 9.463 18.353 ( -7.682 -15.236 0.000) 17.063 18.353 ( 7.682 -15.236 0.000) 17.063 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 0.000 7.862 0.000) 7.862 2.154 ( 0.000 6.983 0.000) 6.983 2.156 ( 0.000 -9.773 0.000) 9.773 2.226 ( 0.000 4.814 0.000) 4.814 2.356 ( 0.000 -0.732 0.000) 0.732 2.685 ( 0.000 -3.738 0.000) 3.738 2.697 ( 0.000 11.194 0.000) 11.194 2.761 ( 0.000 2.904 0.000) 2.904 3.023 ( 0.000 13.081 0.000) 13.081 3.151 ( 0.000 6.956 0.000) 6.956 3.185 ( 0.000 9.221 0.000) 9.221 3.240 ( 0.000 6.793 0.000) 6.793 3.377 ( 0.000 9.447 0.000) 9.447 3.394 ( 0.000 12.358 0.000) 12.358 3.397 ( 0.000 1.193 0.000) 1.193 3.600 ( 0.000 1.857 0.000) 1.857 3.632 ( 0.000 2.897 0.000) 2.897 3.691 ( 0.000 2.092 0.000) 2.092 3.698 ( 0.000 -2.889 0.000) 2.889 3.725 ( 0.000 -2.417 0.000) 2.417 3.965 ( 0.000 -1.258 0.000) 1.258 3.982 ( 0.000 -4.864 0.000) 4.864 4.221 ( 0.000 -1.853 0.000) 1.853 4.448 ( 0.000 -7.943 0.000) 7.943 4.456 ( 0.000 -13.732 0.000) 13.732 4.645 ( 0.000 -18.380 0.000) 18.380 4.689 ( 0.000 -15.290 0.000) 15.290 4.803 ( 0.000 -14.361 0.000) 14.361 5.136 ( 0.000 11.725 0.000) 11.725 5.363 ( 0.000 19.584 0.000) 19.584 5.602 ( 0.000 9.716 0.000) 9.716 5.674 ( 0.000 -1.134 0.000) 1.134 5.720 ( 0.000 14.455 0.000) 14.455 5.848 ( 0.000 -4.709 0.000) 4.709 5.963 ( 0.000 11.691 0.000) 11.691 5.967 ( 0.000 12.265 0.000) 12.265 6.195 ( 0.000 15.104 0.000) 15.104 6.441 ( 0.000 10.321 0.000) 10.321 6.477 ( 0.000 2.106 0.000) 2.106 6.521 ( 0.000 8.372 0.000) 8.372 7.348 ( 0.000 7.657 0.000) 7.657 7.377 ( 0.000 3.144 0.000) 3.144 7.489 ( 0.000 -2.686 0.000) 2.686 7.576 ( 0.000 -4.202 0.000) 4.202 7.638 ( 0.000 6.520 0.000) 6.520 7.763 ( 0.000 -9.185 0.000) 9.185 7.879 ( 0.000 -3.381 0.000) 3.381 8.120 ( 0.000 0.311 0.000) 0.311 8.124 ( 0.000 3.115 0.000) 3.115 8.321 ( 0.000 -2.468 0.000) 2.468 8.522 ( 0.000 -0.018 0.000) 0.018 8.524 ( 0.000 2.017 0.000) 2.017 8.770 ( 0.000 -1.624 0.000) 1.624 8.827 ( 0.000 -5.251 0.000) 5.251 8.844 ( 0.000 -3.117 0.000) 3.117 9.063 ( 0.000 -8.672 0.000) 8.672 9.249 ( 0.000 -3.100 0.000) 3.100 9.446 ( 0.000 3.983 0.000) 3.983 9.475 ( 0.000 -0.731 0.000) 0.731 9.550 ( 0.000 1.883 0.000) 1.883 9.727 ( 0.000 0.474 0.000) 0.474 9.861 ( 0.000 -11.058 0.000) 11.058 9.901 ( 0.000 -2.653 0.000) 2.653 10.061 ( 0.000 -7.364 0.000) 7.364 12.684 ( 0.000 26.263 0.000) 26.263 13.012 ( 0.000 10.875 0.000) 10.875 13.343 ( 0.000 15.350 0.000) 15.350 13.697 ( 0.000 -9.987 0.000) 9.987 13.884 ( 0.000 18.192 0.000) 18.192 13.953 ( 0.000 18.859 0.000) 18.859 14.081 ( 0.000 3.030 0.000) 3.030 14.398 ( 0.000 4.811 0.000) 4.811 14.946 ( 0.000 2.256 0.000) 2.256 14.971 ( 0.000 1.940 0.000) 1.940 15.742 ( 0.000 -22.166 0.000) 22.166 15.820 ( 0.000 -26.505 0.000) 26.505 17.602 ( 0.000 -2.693 0.000) 2.693 17.648 ( 0.000 -2.744 0.000) 2.744 17.685 ( 0.000 -5.221 0.000) 5.221 18.058 ( 0.000 -12.991 0.000) 12.991 18.066 ( 0.000 -1.533 0.000) 1.533 18.104 ( 0.000 -3.253 0.000) 3.253 18.238 ( 0.000 -8.452 0.000) 8.452 18.257 ( 0.000 -5.706 0.000) 5.706 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 1.855 7.895 0.000) 8.110 2.037 ( -6.654 7.849 0.000) 10.290 2.163 ( 1.039 -6.374 0.000) 6.458 2.268 ( -0.006 3.215 0.000) 3.215 2.382 ( 2.532 2.043 0.000) 3.254 2.584 ( -6.229 9.298 0.000) 11.192 2.683 ( 0.176 -3.037 0.000) 3.042 2.760 ( -2.233 0.531 0.000) 2.295 3.044 ( 1.829 12.880 0.000) 13.009 3.132 ( 0.590 9.533 0.000) 9.552 3.281 ( -1.017 9.626 0.000) 9.680 3.289 ( 3.863 12.166 0.000) 12.764 3.382 ( 0.650 9.892 0.000) 9.913 3.419 ( 8.645 2.018 0.000) 8.877 3.484 ( 6.676 5.659 0.000) 8.751 3.629 ( -0.832 1.443 0.000) 1.666 3.632 ( 0.075 2.384 0.000) 2.385 3.654 ( -1.972 1.185 0.000) 2.300 3.710 ( -0.417 -2.083 0.000) 2.125 3.834 ( 11.334 -4.958 0.000) 12.371 3.945 ( -4.124 -1.047 0.000) 4.255 3.980 ( 0.554 -5.939 0.000) 5.964 4.088 ( -7.413 -3.832 0.000) 8.345 4.432 ( -2.106 -10.401 0.000) 10.612 4.433 ( -1.161 -7.952 0.000) 8.036 4.514 ( -11.018 -17.616 0.000) 20.777 4.717 ( 2.017 -15.260 0.000) 15.393 4.793 ( -1.140 -13.096 0.000) 13.145 5.251 ( 7.152 8.334 0.000) 10.982 5.451 ( 7.966 19.566 0.000) 21.125 5.486 ( -5.990 9.242 0.000) 11.014 5.669 ( -1.596 8.356 0.000) 8.507 5.705 ( -0.741 4.797 0.000) 4.854 5.876 ( 1.035 1.048 0.000) 1.473 5.902 ( -4.639 7.608 0.000) 8.911 5.958 ( -3.308 9.366 0.000) 9.933 6.222 ( 4.279 16.552 0.000) 17.096 6.434 ( -1.459 11.388 0.000) 11.481 6.506 ( 1.936 2.614 0.000) 3.253 6.531 ( 0.651 6.263 0.000) 6.297 7.215 ( -5.624 4.684 0.000) 7.319 7.265 ( -5.302 8.027 0.000) 9.620 7.616 ( 5.039 -4.174 0.000) 6.543 7.691 ( 4.395 -3.424 0.000) 5.571 7.701 ( 3.268 2.999 0.000) 4.435 7.825 ( -3.751 -2.243 0.000) 4.371 7.850 ( 9.824 -6.978 0.000) 12.050 8.140 ( 0.093 -1.013 0.000) 1.017 8.188 ( 5.773 3.427 0.000) 6.714 8.355 ( 2.989 -2.041 0.000) 3.620 8.438 ( -4.182 1.710 0.000) 4.518 8.562 ( -0.957 0.956 0.000) 1.353 8.815 ( 3.201 -2.125 0.000) 3.842 8.826 ( 1.006 -4.578 0.000) 4.687 8.860 ( 1.886 -2.894 0.000) 3.454 9.029 ( -3.281 -8.906 0.000) 9.492 9.192 ( -3.916 -1.361 0.000) 4.146 9.324 ( -8.477 2.235 0.000) 8.766 9.472 ( 0.200 -0.949 0.000) 0.969 9.546 ( -1.598 0.710 0.000) 1.749 9.740 ( 1.123 0.424 0.000) 1.200 9.819 ( -2.586 -6.270 0.000) 6.782 9.936 ( 2.101 -6.178 0.000) 6.526 10.037 ( -2.003 -7.195 0.000) 7.468 12.740 ( 4.787 24.273 0.000) 24.740 12.986 ( -2.939 12.737 0.000) 13.072 13.422 ( 6.434 11.655 0.000) 13.313 13.643 ( -3.269 -3.553 0.000) 4.828 13.866 ( -1.276 18.071 0.000) 18.116 13.942 ( -2.238 16.056 0.000) 16.211 14.101 ( 1.804 5.139 0.000) 5.446 14.280 ( -7.286 9.191 0.000) 11.729 15.044 ( 9.302 -0.611 0.000) 9.322 15.173 ( 14.023 -6.631 0.000) 15.512 15.592 ( -11.237 -17.155 0.000) 20.508 15.753 ( -7.499 -25.025 0.000) 26.125 17.576 ( -1.700 -0.713 0.000) 1.844 17.593 ( -0.751 -2.379 0.000) 2.495 17.823 ( 6.987 -9.693 0.000) 11.949 18.030 ( -2.492 -12.598 0.000) 12.842 18.075 ( 1.392 -1.617 0.000) 2.134 18.136 ( 2.376 -4.027 0.000) 4.676 18.209 ( -2.577 -7.555 0.000) 7.982 18.239 ( -1.566 -5.547 0.000) 5.764 ======================= Grid point 27 (18/63) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -4.670 8.250 0.000) 9.480 1.908 ( 4.670 8.250 0.000) 9.480 2.216 ( -3.466 -0.338 0.000) 3.482 2.216 ( 3.466 -0.338 0.000) 3.482 2.464 ( -4.641 6.230 0.000) 7.769 2.464 ( 4.641 6.230 0.000) 7.769 2.705 ( -1.931 -2.012 0.000) 2.789 2.705 ( 1.931 -2.012 0.000) 2.789 3.098 ( -2.989 8.360 0.000) 8.879 3.098 ( 2.989 8.360 0.000) 8.879 3.303 ( -2.526 17.137 0.000) 17.322 3.303 ( 2.526 17.137 0.000) 17.322 3.464 ( -5.444 7.084 0.000) 8.934 3.464 ( 5.444 7.084 0.000) 8.934 3.618 ( -3.182 2.418 0.000) 3.996 3.618 ( 3.182 2.418 0.000) 3.996 3.645 ( -1.834 0.704 0.000) 1.965 3.645 ( 1.834 0.704 0.000) 1.965 3.744 ( -9.962 -3.382 0.000) 10.521 3.744 ( 9.962 -3.383 0.000) 10.521 4.002 ( -2.693 -5.126 0.000) 5.790 4.002 ( 2.693 -5.126 0.000) 5.790 4.185 ( -16.908 -12.914 0.000) 21.275 4.185 ( 16.908 -12.914 0.000) 21.275 4.410 ( -0.377 -8.126 0.000) 8.135 4.410 ( 0.377 -8.126 0.000) 8.135 4.760 ( -1.741 -14.009 0.000) 14.117 4.760 ( 1.741 -14.009 0.000) 14.117 5.376 ( -4.512 8.998 0.000) 10.066 5.376 ( 4.512 8.998 0.000) 10.066 5.639 ( -5.486 15.759 0.000) 16.686 5.639 ( 5.486 15.759 0.000) 16.686 5.731 ( -8.326 3.008 0.000) 8.852 5.731 ( 8.326 3.008 0.000) 8.852 5.898 ( -1.523 5.903 0.000) 6.096 5.898 ( 1.523 5.903 0.000) 6.096 6.351 ( -5.756 13.509 0.000) 14.684 6.351 ( 5.756 13.509 0.000) 14.684 6.537 ( -0.497 3.763 0.000) 3.796 6.537 ( 0.497 3.763 0.000) 3.796 7.177 ( -1.782 7.291 0.000) 7.506 7.177 ( 1.782 7.291 0.000) 7.506 7.713 ( -2.655 -7.614 0.000) 8.064 7.713 ( 2.655 -7.614 0.000) 8.064 7.750 ( -2.576 3.263 0.000) 4.158 7.750 ( 2.576 3.263 0.000) 4.158 8.064 ( -7.216 -4.340 0.000) 8.421 8.064 ( 7.216 -4.340 0.000) 8.421 8.337 ( -5.669 3.652 0.000) 6.744 8.337 ( 5.669 3.652 0.000) 6.744 8.461 ( -6.595 -1.526 0.000) 6.769 8.461 ( 6.595 -1.526 0.000) 6.769 8.852 ( -0.124 -2.531 0.000) 2.534 8.852 ( 0.124 -2.531 0.000) 2.534 8.947 ( -4.348 -5.039 0.000) 6.656 8.947 ( 4.348 -5.039 0.000) 6.656 9.162 ( -3.741 -0.032 0.000) 3.742 9.162 ( 3.741 -0.032 0.000) 3.742 9.498 ( -2.051 -1.182 0.000) 2.367 9.498 ( 2.051 -1.182 0.000) 2.367 9.770 ( -1.694 -1.860 0.000) 2.516 9.770 ( 1.694 -1.860 0.000) 2.516 9.985 ( -2.397 -7.044 0.000) 7.441 9.985 ( 2.397 -7.044 0.000) 7.441 12.874 ( -6.531 18.675 0.000) 19.784 12.874 ( 6.531 18.675 0.000) 19.784 13.566 ( -4.947 2.045 0.000) 5.353 13.566 ( 4.947 2.045 0.000) 5.353 13.866 ( -2.449 19.657 0.000) 19.809 13.866 ( 2.449 19.657 0.000) 19.809 14.160 ( -3.665 8.469 0.000) 9.227 14.160 ( 3.665 8.469 0.000) 9.227 15.308 ( -13.427 -8.680 0.000) 15.988 15.308 ( 13.427 -8.680 0.000) 15.989 15.500 ( -14.299 -17.428 0.000) 22.544 15.500 ( 14.299 -17.428 0.000) 22.544 17.573 ( -0.840 -1.370 0.000) 1.607 17.573 ( 0.840 -1.370 0.000) 1.607 17.952 ( -4.543 -12.128 0.000) 12.951 17.952 ( 4.543 -12.128 0.000) 12.951 18.135 ( -3.627 -4.365 0.000) 5.675 18.135 ( 3.627 -4.365 0.000) 5.675 18.193 ( -2.510 -5.018 0.000) 5.610 18.193 ( 2.510 -5.018 0.000) 5.610 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 0.000 2.338 0.000) 2.338 1.984 ( 0.000 -6.585 0.000) 6.585 2.259 ( 0.000 3.223 0.000) 3.223 2.282 ( 0.000 0.842 0.000) 0.842 2.433 ( 0.000 6.947 0.000) 6.947 2.578 ( 0.000 -6.642 0.000) 6.642 2.804 ( 0.000 1.364 0.000) 1.364 2.807 ( 0.000 1.564 0.000) 1.564 3.255 ( 0.000 3.585 0.000) 3.585 3.297 ( 0.000 0.339 0.000) 0.339 3.303 ( 0.000 10.060 0.000) 10.060 3.353 ( 0.000 3.454 0.000) 3.454 3.469 ( 0.000 7.101 0.000) 7.101 3.540 ( 0.000 4.614 0.000) 4.614 3.562 ( 0.000 2.816 0.000) 2.816 3.604 ( 0.000 -3.543 0.000) 3.543 3.657 ( 0.000 -1.775 0.000) 1.775 3.661 ( 0.000 -0.942 0.000) 0.942 3.749 ( 0.000 11.786 0.000) 11.786 3.782 ( 0.000 5.648 0.000) 5.648 3.887 ( 0.000 -4.690 0.000) 4.690 4.006 ( 0.000 -0.728 0.000) 0.728 4.126 ( 0.000 -3.618 0.000) 3.618 4.235 ( 0.000 -7.621 0.000) 7.621 4.315 ( 0.000 -7.608 0.000) 7.608 4.343 ( 0.000 -1.216 0.000) 1.216 4.429 ( 0.000 -9.457 0.000) 9.457 4.450 ( 0.000 -16.583 0.000) 16.583 5.399 ( 0.000 11.535 0.000) 11.535 5.564 ( 0.000 -2.617 0.000) 2.617 5.669 ( 0.000 0.862 0.000) 0.862 5.687 ( 0.000 0.151 0.000) 0.151 5.843 ( 0.000 5.378 0.000) 5.378 5.894 ( 0.000 2.613 0.000) 2.613 6.127 ( 0.000 4.457 0.000) 4.457 6.134 ( 0.000 3.938 0.000) 3.938 6.438 ( 0.000 8.171 0.000) 8.171 6.516 ( 0.000 0.085 0.000) 0.085 6.608 ( 0.000 5.414 0.000) 5.414 6.640 ( 0.000 2.419 0.000) 2.419 7.450 ( 0.000 4.204 0.000) 4.204 7.468 ( 0.000 0.479 0.000) 0.479 7.509 ( 0.000 8.041 0.000) 8.041 7.513 ( 0.000 -1.905 0.000) 1.905 7.588 ( 0.000 -7.589 0.000) 7.589 7.655 ( 0.000 -5.318 0.000) 5.318 7.902 ( 0.000 6.390 0.000) 6.390 8.049 ( 0.000 -6.641 0.000) 6.641 8.194 ( 0.000 3.405 0.000) 3.405 8.260 ( 0.000 -3.180 0.000) 3.180 8.598 ( 0.000 4.999 0.000) 4.999 8.634 ( 0.000 10.117 0.000) 10.117 8.711 ( 0.000 -5.927 0.000) 5.927 8.758 ( 0.000 0.295 0.000) 0.295 8.784 ( 0.000 -2.344 0.000) 2.344 8.862 ( 0.000 -11.111 0.000) 11.111 9.241 ( 0.000 2.839 0.000) 2.839 9.366 ( 0.000 -8.477 0.000) 8.477 9.522 ( 0.000 3.408 0.000) 3.408 9.570 ( 0.000 -0.767 0.000) 0.767 9.763 ( 0.000 1.125 0.000) 1.125 9.764 ( 0.000 4.275 0.000) 4.275 9.828 ( 0.000 -4.102 0.000) 4.102 9.896 ( 0.000 -8.090 0.000) 8.090 13.164 ( 0.000 19.938 0.000) 19.938 13.246 ( 0.000 11.878 0.000) 11.878 13.442 ( 0.000 -6.029 0.000) 6.029 13.481 ( 0.000 -11.241 0.000) 11.241 14.206 ( 0.000 11.241 0.000) 11.241 14.223 ( 0.000 8.265 0.000) 8.265 14.269 ( 0.000 11.957 0.000) 11.957 14.422 ( 0.000 -3.042 0.000) 3.042 14.983 ( 0.000 1.303 0.000) 1.303 14.994 ( 0.000 0.282 0.000) 0.282 15.356 ( 0.000 -12.852 0.000) 12.852 15.374 ( 0.000 -14.810 0.000) 14.810 17.609 ( 0.000 -0.962 0.000) 0.962 17.615 ( 0.000 4.470 0.000) 4.470 17.616 ( 0.000 -1.767 0.000) 1.767 17.784 ( 0.000 -11.912 0.000) 11.912 18.050 ( 0.000 -0.123 0.000) 0.123 18.061 ( 0.000 -1.184 0.000) 1.184 18.158 ( 0.000 -1.115 0.000) 1.115 18.173 ( 0.000 -2.530 0.000) 2.530 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 3.875 4.021 0.000) 5.585 2.038 ( 4.622 -5.542 0.000) 7.216 2.181 ( -5.166 6.098 0.000) 7.992 2.271 ( -2.742 -2.510 0.000) 3.718 2.475 ( 3.556 6.282 0.000) 7.219 2.598 ( 1.764 -5.372 0.000) 5.654 2.706 ( -5.984 3.649 0.000) 7.009 2.753 ( -4.730 -1.224 0.000) 4.886 3.268 ( 1.002 5.456 0.000) 5.547 3.343 ( 0.908 12.932 0.000) 12.964 3.374 ( 6.278 -4.870 0.000) 7.946 3.435 ( 5.860 2.976 0.000) 6.572 3.509 ( 4.446 10.808 0.000) 11.687 3.547 ( 0.999 4.740 0.000) 4.844 3.585 ( 2.453 1.867 0.000) 3.082 3.650 ( -0.140 -1.195 0.000) 1.203 3.685 ( 1.496 -0.314 0.000) 1.528 3.701 ( -2.814 6.302 0.000) 6.902 3.719 ( 8.692 -3.661 0.000) 9.431 3.743 ( -3.014 5.019 0.000) 5.854 3.868 ( -1.183 -5.565 0.000) 5.689 3.932 ( -8.712 -12.718 0.000) 15.416 4.025 ( -5.532 9.930 0.000) 11.367 4.207 ( -7.012 -9.618 0.000) 11.903 4.278 ( 0.118 -2.824 0.000) 2.826 4.331 ( -1.016 -0.792 0.000) 1.288 4.437 ( 0.584 -10.845 0.000) 10.861 4.446 ( -0.064 -17.273 0.000) 17.273 5.457 ( 4.333 9.638 0.000) 10.567 5.606 ( 3.248 -4.069 0.000) 5.206 5.620 ( -2.854 5.048 0.000) 5.799 5.705 ( -0.011 -3.000 0.000) 3.000 5.833 ( 0.954 9.279 0.000) 9.328 5.924 ( 1.866 0.499 0.000) 1.931 6.054 ( -5.489 5.292 0.000) 7.625 6.083 ( -4.452 2.521 0.000) 5.116 6.477 ( 3.235 8.164 0.000) 8.781 6.552 ( 2.514 0.309 0.000) 2.533 6.606 ( -0.657 5.083 0.000) 5.125 6.631 ( -0.907 2.486 0.000) 2.646 7.337 ( -2.426 7.141 0.000) 7.542 7.439 ( -4.827 8.972 0.000) 10.188 7.490 ( 0.661 -7.628 0.000) 7.657 7.616 ( -3.353 -8.077 0.000) 8.745 7.669 ( 8.305 1.436 0.000) 8.428 7.734 ( 10.925 -4.633 0.000) 11.867 7.906 ( -0.556 7.256 0.000) 7.278 8.055 ( -1.033 -6.727 0.000) 6.806 8.258 ( 5.628 3.073 0.000) 6.412 8.310 ( 4.342 -2.276 0.000) 4.902 8.530 ( -4.224 6.418 0.000) 7.683 8.614 ( -5.453 1.252 0.000) 5.595 8.744 ( 4.455 -1.027 0.000) 4.572 8.788 ( 2.182 -0.377 0.000) 2.214 8.805 ( 1.817 -2.068 0.000) 2.753 8.849 ( -0.704 -8.358 0.000) 8.387 9.216 ( -1.632 4.135 0.000) 4.445 9.358 ( -0.188 -8.773 0.000) 8.775 9.402 ( -8.544 5.160 0.000) 9.981 9.507 ( -5.372 -4.356 0.000) 6.916 9.764 ( 0.297 1.616 0.000) 1.643 9.780 ( 0.650 3.855 0.000) 3.910 9.834 ( 0.688 -4.456 0.000) 4.508 9.889 ( -0.862 -6.717 0.000) 6.772 13.185 ( 1.684 18.745 0.000) 18.821 13.247 ( -0.227 12.647 0.000) 12.649 13.460 ( 1.304 -7.359 0.000) 7.473 13.483 ( 0.140 -10.398 0.000) 10.399 14.197 ( 0.082 12.705 0.000) 12.705 14.253 ( -1.363 12.328 0.000) 12.404 14.259 ( 2.332 6.616 0.000) 7.015 14.386 ( -2.828 -0.144 0.000) 2.832 15.032 ( 4.354 -0.234 0.000) 4.360 15.062 ( 5.439 -3.715 0.000) 6.586 15.293 ( -5.083 -9.821 0.000) 11.058 15.330 ( -4.140 -14.162 0.000) 14.755 17.588 ( -0.258 2.109 0.000) 2.125 17.609 ( -0.534 4.314 0.000) 4.347 17.667 ( 2.795 -5.764 0.000) 6.406 17.769 ( -1.363 -11.222 0.000) 11.305 18.061 ( 1.077 0.109 0.000) 1.083 18.079 ( 1.478 -1.760 0.000) 2.298 18.139 ( -1.583 -0.827 0.000) 1.786 18.157 ( -1.370 -2.531 0.000) 2.878 ======================= Grid point 32 (21/63) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( -5.745 6.403 0.000) 8.602 2.056 ( 5.745 6.403 0.000) 8.602 2.165 ( -6.112 -4.249 0.000) 7.444 2.165 ( 6.112 -4.249 0.000) 7.444 2.577 ( -5.451 4.779 0.000) 7.249 2.577 ( 5.451 4.779 0.000) 7.249 2.656 ( -3.523 -3.073 0.000) 4.674 2.656 ( 3.523 -3.073 0.000) 4.674 3.308 ( -2.621 11.606 0.000) 11.898 3.308 ( 2.621 11.606 0.000) 11.898 3.491 ( -2.342 -2.554 0.000) 3.465 3.491 ( 2.342 -2.554 0.000) 3.465 3.615 ( -3.339 5.300 0.000) 6.264 3.615 ( 3.339 5.300 0.000) 6.264 3.644 ( -0.184 -0.697 0.000) 0.721 3.644 ( 0.184 -0.697 0.000) 0.721 3.672 ( -0.000 1.541 0.000) 1.541 3.672 ( 0.000 1.541 0.000) 1.541 3.715 ( -5.971 3.965 0.000) 7.167 3.715 ( 5.971 3.965 0.000) 7.167 3.890 ( -5.311 -3.028 0.000) 6.113 3.890 ( 5.311 -3.028 0.000) 6.113 3.977 ( -12.070 -6.966 0.000) 13.936 3.977 ( 12.070 -6.966 0.000) 13.936 4.302 ( -1.509 -0.638 0.000) 1.638 4.302 ( 1.509 -0.638 0.000) 1.638 4.447 ( -0.173 -14.015 0.000) 14.017 4.447 ( 0.173 -14.016 0.000) 14.017 5.550 ( -3.658 7.642 0.000) 8.472 5.550 ( 3.658 7.642 0.000) 8.472 5.676 ( -2.553 -4.529 0.000) 5.199 5.676 ( 2.553 -4.529 0.000) 5.199 5.916 ( -5.994 8.100 0.000) 10.077 5.916 ( 5.994 8.100 0.000) 10.077 5.983 ( -3.822 1.149 0.000) 3.991 5.983 ( 3.822 1.149 0.000) 3.991 6.557 ( -3.470 6.328 0.000) 7.217 6.557 ( 3.470 6.328 0.000) 7.217 6.603 ( -1.817 1.437 0.000) 2.317 6.603 ( 1.817 1.437 0.000) 2.317 7.347 ( -2.857 9.136 0.000) 9.572 7.347 ( 2.857 9.136 0.000) 9.572 7.536 ( -3.242 -9.380 0.000) 9.925 7.536 ( 3.242 -9.380 0.000) 9.925 7.836 ( -5.951 5.312 0.000) 7.977 7.836 ( 5.951 5.312 0.000) 7.977 7.957 ( -7.898 -6.140 0.000) 10.003 7.957 ( 7.898 -6.139 0.000) 10.003 8.411 ( -6.632 3.127 0.000) 7.332 8.411 ( 6.632 3.127 0.000) 7.332 8.447 ( -8.195 -0.481 0.000) 8.209 8.447 ( 8.195 -0.481 0.000) 8.209 8.813 ( -0.503 -0.675 0.000) 0.842 8.813 ( 0.503 -0.675 0.000) 0.842 8.845 ( -0.566 -3.931 0.000) 3.971 8.845 ( 0.566 -3.931 0.000) 3.972 9.232 ( -4.775 6.430 0.000) 8.009 9.232 ( 4.775 6.430 0.000) 8.009 9.392 ( -3.795 -8.181 0.000) 9.019 9.392 ( 3.795 -8.181 0.000) 9.019 9.778 ( -0.698 2.686 0.000) 2.775 9.778 ( 0.698 2.686 0.000) 2.775 9.860 ( -1.507 -5.184 0.000) 5.398 9.860 ( 1.507 -5.184 0.000) 5.398 13.226 ( -1.664 15.555 0.000) 15.644 13.226 ( 1.664 15.555 0.000) 15.644 13.482 ( -0.459 -9.249 0.000) 9.260 13.482 ( 0.459 -9.249 0.000) 9.261 14.217 ( -1.572 13.326 0.000) 13.418 14.217 ( 1.572 13.326 0.000) 13.418 14.318 ( -2.988 3.841 0.000) 4.867 14.318 ( 2.988 3.841 0.000) 4.867 15.158 ( -6.501 -4.667 0.000) 8.002 15.158 ( 6.501 -4.667 0.000) 8.002 15.204 ( -6.735 -10.040 0.000) 12.089 15.204 ( 6.735 -10.040 0.000) 12.089 17.595 ( -0.645 3.736 0.000) 3.791 17.595 ( 0.645 3.736 0.000) 3.791 17.726 ( -2.425 -9.208 0.000) 9.522 17.726 ( 2.425 -9.208 0.000) 9.522 18.097 ( -2.000 -0.188 0.000) 2.009 18.097 ( 2.000 -0.188 0.000) 2.009 18.119 ( -1.939 -2.350 0.000) 3.047 18.119 ( 1.939 -2.350 0.000) 3.047 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( 0.000 0.000 20.742) 20.742 0.540 ( 0.000 0.000 28.802) 28.802 0.720 ( 0.000 0.000 36.794) 36.794 1.468 ( 0.000 0.000 -16.737) 16.737 1.533 ( 0.000 0.000 0.646) 0.646 1.895 ( 0.000 0.000 -10.368) 10.368 2.052 ( 0.000 0.000 3.109) 3.109 2.152 ( 0.000 0.000 -5.425) 5.425 2.192 ( 0.000 0.000 -1.551) 1.551 2.411 ( 0.000 0.000 11.679) 11.679 2.656 ( 0.000 0.000 -0.902) 0.902 2.729 ( 0.000 0.000 5.140) 5.140 2.783 ( 0.000 0.000 0.494) 0.494 2.869 ( 0.000 0.000 -0.990) 0.990 2.878 ( 0.000 0.000 -1.086) 1.086 2.923 ( 0.000 0.000 -1.421) 1.421 2.951 ( 0.000 0.000 -2.336) 2.336 3.118 ( 0.000 0.000 0.187) 0.187 3.223 ( 0.000 0.000 -11.257) 11.257 3.241 ( 0.000 0.000 -6.435) 6.435 3.485 ( 0.000 0.000 5.613) 5.613 3.676 ( 0.000 0.000 -1.362) 1.362 3.813 ( 0.000 0.000 0.785) 0.785 3.829 ( 0.000 0.000 4.389) 4.389 4.376 ( 0.000 0.000 6.748) 6.748 4.384 ( 0.000 0.000 -0.799) 0.799 4.472 ( 0.000 0.000 -6.528) 6.528 4.734 ( 0.000 0.000 6.018) 6.018 4.787 ( 0.000 0.000 6.364) 6.364 5.070 ( 0.000 0.000 -8.179) 8.179 5.395 ( 0.000 0.000 -1.727) 1.727 5.634 ( 0.000 0.000 1.791) 1.791 5.797 ( 0.000 0.000 -14.688) 14.688 5.832 ( 0.000 0.000 -6.079) 6.079 6.003 ( 0.000 0.000 1.970) 1.970 6.289 ( 0.000 0.000 7.266) 7.266 6.348 ( 0.000 0.000 8.930) 8.930 6.354 ( 0.000 0.000 -2.417) 2.417 6.777 ( 0.000 0.000 3.069) 3.069 6.799 ( 0.000 0.000 2.452) 2.452 6.944 ( 0.000 0.000 5.152) 5.152 7.000 ( 0.000 0.000 -2.582) 2.582 7.018 ( 0.000 0.000 -2.913) 2.913 7.028 ( 0.000 0.000 2.163) 2.163 7.582 ( 0.000 0.000 2.307) 2.307 7.683 ( 0.000 0.000 2.731) 2.731 7.842 ( 0.000 0.000 -4.974) 4.974 8.039 ( 0.000 0.000 -8.008) 8.008 8.171 ( 0.000 0.000 3.183) 3.183 8.386 ( 0.000 0.000 -2.857) 2.857 8.606 ( 0.000 0.000 4.793) 4.793 8.844 ( 0.000 0.000 3.637) 3.637 8.911 ( 0.000 0.000 -3.624) 3.624 8.945 ( 0.000 0.000 3.862) 3.862 9.023 ( 0.000 0.000 0.805) 0.805 9.103 ( 0.000 0.000 -0.845) 0.845 9.125 ( 0.000 0.000 -2.665) 2.665 9.225 ( 0.000 0.000 -2.849) 2.849 9.328 ( 0.000 0.000 1.995) 1.995 9.425 ( 0.000 0.000 3.237) 3.237 9.521 ( 0.000 0.000 -2.747) 2.747 9.586 ( 0.000 0.000 -1.511) 1.511 9.838 ( 0.000 0.000 -0.035) 0.035 9.840 ( 0.000 0.000 -0.098) 0.098 10.753 ( 0.000 0.000 5.206) 5.206 11.668 ( 0.000 0.000 -23.640) 23.640 12.379 ( 0.000 0.000 12.399) 12.399 12.585 ( 0.000 0.000 0.019) 0.019 13.040 ( 0.000 0.000 5.612) 5.612 13.442 ( 0.000 0.000 -4.578) 4.578 13.795 ( 0.000 0.000 2.605) 2.605 13.944 ( 0.000 0.000 -1.387) 1.387 14.698 ( 0.000 0.000 1.827) 1.827 14.743 ( 0.000 0.000 0.583) 0.583 17.818 ( 0.000 0.000 2.361) 2.361 17.980 ( 0.000 0.000 -2.637) 2.637 18.089 ( 0.000 0.000 0.798) 0.798 18.108 ( 0.000 0.000 -0.670) 0.670 18.615 ( 0.000 0.000 1.156) 1.156 18.701 ( 0.000 0.000 0.798) 0.798 18.718 ( 0.000 0.000 -1.389) 1.389 18.856 ( 0.000 0.000 -3.558) 3.558 19.440 ( 0.000 0.000 3.796) 3.796 19.659 ( 0.000 0.000 -2.076) 2.076 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 19.614 0.000 9.712) 21.887 0.680 ( 21.032 0.000 10.167) 23.360 1.366 ( 36.134 0.000 11.467) 37.909 1.479 ( -2.199 0.000 -14.109) 14.280 1.552 ( -6.199 0.000 -0.286) 6.205 1.815 ( -12.660 0.000 4.876) 13.566 1.850 ( -0.771 0.000 -16.350) 16.368 2.027 ( -10.525 0.000 -1.862) 10.689 2.098 ( 2.034 0.000 6.403) 6.718 2.371 ( -11.758 0.000 4.249) 12.502 2.565 ( 7.528 0.000 7.396) 10.553 2.642 ( -14.897 0.000 2.980) 15.193 2.796 ( -4.248 0.000 1.106) 4.389 2.919 ( 12.716 0.000 -1.546) 12.810 2.926 ( 9.575 0.000 -0.078) 9.575 3.047 ( 6.202 0.000 -1.546) 6.392 3.143 ( 0.843 0.000 -1.037) 1.337 3.232 ( -0.466 0.000 -4.877) 4.899 3.235 ( 14.538 0.000 -3.204) 14.887 3.344 ( 2.119 0.000 -4.247) 4.747 3.462 ( -1.245 0.000 4.459) 4.629 3.624 ( -4.518 0.000 -1.193) 4.673 3.748 ( -21.759 0.000 8.245) 23.268 3.827 ( 5.963 0.000 -0.276) 5.970 3.953 ( -13.180 0.000 7.927) 15.380 4.303 ( -4.816 0.000 6.317) 7.944 4.547 ( 2.727 0.000 -4.361) 5.144 4.651 ( 12.678 0.000 -0.997) 12.718 4.767 ( -19.247 0.000 -0.937) 19.270 5.149 ( -2.806 0.000 -14.217) 14.491 5.273 ( -12.211 0.000 1.517) 12.305 5.442 ( -12.773 0.000 -0.636) 12.789 5.563 ( 19.694 0.000 6.949) 20.884 5.983 ( 7.163 0.000 -8.684) 11.257 6.125 ( 5.427 0.000 6.711) 8.631 6.237 ( 0.821 0.000 -0.210) 0.848 6.303 ( -2.382 0.000 3.682) 4.385 6.426 ( -0.613 0.000 7.695) 7.719 6.769 ( -0.527 0.000 2.708) 2.759 6.782 ( -1.129 0.000 2.263) 2.529 6.952 ( 0.814 0.000 3.162) 3.265 7.019 ( -0.674 0.000 1.033) 1.233 7.025 ( 1.881 0.000 -2.440) 3.081 7.044 ( 1.604 0.000 -2.751) 3.185 7.646 ( 5.683 0.000 2.167) 6.082 7.873 ( 3.050 0.000 -4.213) 5.201 7.913 ( 4.805 0.000 0.437) 4.825 8.052 ( -9.026 0.000 2.816) 9.455 8.183 ( -2.507 0.000 8.281) 8.652 8.234 ( -10.541 0.000 -2.236) 10.776 8.733 ( 10.235 0.000 -12.483) 16.143 8.962 ( 4.820 0.000 -2.491) 5.426 8.971 ( 7.993 0.000 2.709) 8.440 9.028 ( -3.170 0.000 -2.402) 3.977 9.048 ( 1.803 0.000 1.131) 2.128 9.159 ( 10.274 0.000 -7.586) 12.771 9.191 ( 5.126 0.000 -1.195) 5.263 9.226 ( 2.295 0.000 -2.238) 3.205 9.271 ( -4.718 0.000 0.429) 4.738 9.379 ( -3.978 0.000 2.921) 4.936 9.495 ( -2.769 0.000 -3.533) 4.489 9.532 ( -4.739 0.000 -1.489) 4.967 9.840 ( 0.184 0.000 -0.033) 0.187 9.842 ( 0.156 0.000 -0.098) 0.184 10.969 ( 11.253 0.000 -10.123) 15.136 11.451 ( -12.832 0.000 -13.704) 18.774 12.332 ( -0.053 0.000 13.273) 13.273 12.503 ( -4.597 0.000 2.003) 5.014 13.003 ( -1.546 0.000 2.980) 3.357 13.121 ( -11.237 0.000 4.213) 12.000 13.824 ( 2.601 0.000 1.458) 2.982 13.929 ( -1.719 0.000 -0.641) 1.834 15.124 ( 32.839 0.000 4.509) 33.147 15.940 ( 42.470 0.000 -40.807) 58.897 17.195 ( -28.754 0.000 1.882) 28.815 17.698 ( -21.389 0.000 -13.112) 25.088 18.194 ( 2.187 0.000 8.767) 9.035 18.362 ( 9.847 0.000 9.363) 13.588 18.442 ( -10.791 0.000 9.691) 14.504 18.667 ( -1.991 0.000 0.377) 2.026 18.811 ( 0.557 0.000 2.979) 3.030 18.879 ( 3.690 0.000 -1.262) 3.900 19.193 ( 6.643 0.000 8.512) 10.797 19.749 ( -5.951 0.000 -9.035) 10.819 ======================= Grid point 67 (24/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -21.568 0.000 1.776) 21.641 1.168 ( 21.568 0.000 1.776) 21.641 1.173 ( -22.600 0.000 -1.416) 22.644 1.173 ( 22.600 0.000 -1.416) 22.644 1.805 ( -8.098 0.000 -3.724) 8.913 1.805 ( 8.098 0.000 -3.724) 8.913 1.874 ( -4.981 0.000 -12.643) 13.589 1.874 ( 4.981 0.000 -12.643) 13.589 2.187 ( -20.314 0.000 2.073) 20.420 2.187 ( 20.314 0.000 2.073) 20.420 2.697 ( -4.858 0.000 4.134) 6.379 2.697 ( 4.858 0.000 4.134) 6.379 2.778 ( -33.102 0.000 18.026) 37.692 2.778 ( 33.102 0.000 18.026) 37.692 3.096 ( -4.970 0.000 -2.429) 5.532 3.096 ( 4.970 0.000 -2.429) 5.532 3.185 ( -5.108 0.000 0.237) 5.113 3.185 ( 5.108 0.000 0.237) 5.113 3.257 ( -9.710 0.000 0.754) 9.739 3.257 ( 9.710 0.000 0.754) 9.739 3.502 ( -5.226 0.000 0.125) 5.227 3.502 ( 5.226 0.000 0.125) 5.227 3.700 ( -14.843 0.000 3.150) 15.173 3.700 ( 14.843 0.000 3.150) 15.173 4.128 ( -14.570 0.000 -0.977) 14.603 4.128 ( 14.570 0.000 -0.977) 14.603 4.543 ( -3.514 0.000 -3.056) 4.657 4.543 ( 3.514 0.000 -3.056) 4.657 4.970 ( -13.159 0.000 -2.563) 13.406 4.970 ( 13.159 0.000 -2.563) 13.406 5.183 ( -4.314 0.000 -10.281) 11.149 5.183 ( 4.314 0.000 -10.281) 11.149 5.967 ( -10.495 0.000 4.840) 11.557 5.967 ( 10.495 0.000 4.840) 11.557 6.226 ( -1.766 0.000 1.433) 2.274 6.226 ( 1.766 0.000 1.433) 2.274 6.328 ( -7.771 0.000 4.257) 8.861 6.328 ( 7.771 0.000 4.257) 8.861 6.765 ( -0.299 0.000 2.311) 2.330 6.765 ( 0.299 0.000 2.311) 2.330 6.988 ( -2.080 0.000 -0.021) 2.080 6.988 ( 2.080 0.000 -0.021) 2.080 7.058 ( -0.590 0.000 -2.560) 2.627 7.058 ( 0.590 0.000 -2.560) 2.627 7.819 ( -9.356 0.000 1.852) 9.537 7.819 ( 9.356 0.000 1.852) 9.537 8.014 ( -8.135 0.000 -2.329) 8.462 8.014 ( 8.135 0.000 -2.329) 8.462 8.041 ( -7.153 0.000 9.888) 12.204 8.041 ( 7.153 0.000 9.888) 12.204 8.909 ( -6.068 0.000 -6.926) 9.208 8.909 ( 6.068 0.000 -6.926) 9.208 9.075 ( -0.638 0.000 0.852) 1.064 9.075 ( 0.638 0.000 0.852) 1.064 9.124 ( -7.661 0.000 -0.294) 7.667 9.124 ( 7.661 0.000 -0.294) 7.667 9.263 ( -5.195 0.000 1.430) 5.388 9.263 ( 5.195 0.000 1.430) 5.388 9.380 ( -7.805 0.000 -7.023) 10.500 9.380 ( 7.805 0.000 -7.023) 10.500 9.389 ( -7.756 0.000 -1.483) 7.896 9.389 ( 7.756 0.000 -1.483) 7.896 9.843 ( -0.080 0.000 -0.061) 0.101 9.843 ( 0.080 0.000 -0.061) 0.101 11.196 ( -10.325 0.000 -12.266) 16.033 11.196 ( 10.325 0.000 -12.266) 16.033 12.391 ( -4.710 0.000 6.253) 7.828 12.391 ( 4.710 0.000 6.253) 7.828 12.994 ( -1.492 0.000 3.044) 3.390 12.994 ( 1.492 0.000 3.044) 3.390 13.882 ( -2.494 0.000 0.532) 2.550 13.882 ( 2.494 0.000 0.532) 2.550 15.912 ( -32.944 0.000 3.564) 33.136 15.912 ( 32.944 0.000 3.564) 33.136 17.184 ( -22.008 0.000 -22.537) 31.500 17.184 ( 22.008 0.000 -22.537) 31.500 18.252 ( -4.520 0.000 14.712) 15.391 18.252 ( 4.520 0.000 14.712) 15.391 18.564 ( -7.037 0.000 3.241) 7.748 18.564 ( 7.037 0.000 3.241) 7.748 18.870 ( -2.819 0.000 1.649) 3.266 18.870 ( 2.819 0.000 1.649) 3.266 19.496 ( -15.045 0.000 -4.603) 15.733 19.496 ( 15.045 0.000 -4.603) 15.733 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 14.485 19.389) 24.203 0.757 ( 0.000 18.828 19.691) 27.244 1.251 ( 0.000 42.487 14.833) 45.002 1.579 ( 0.000 4.947 1.775) 5.256 1.718 ( 0.000 19.488 -17.232) 26.014 1.927 ( 0.000 4.160 -8.187) 9.183 2.211 ( 0.000 6.441 -4.451) 7.829 2.263 ( 0.000 18.190 2.185) 18.321 2.372 ( 0.000 13.928 -1.048) 13.968 2.476 ( 0.000 5.984 11.085) 12.597 2.668 ( 0.000 1.151 1.930) 2.247 2.743 ( 0.000 -0.211 3.339) 3.345 2.811 ( 0.000 5.922 -0.773) 5.972 2.894 ( 0.000 2.572 -1.454) 2.954 2.923 ( 0.000 4.253 -3.106) 5.267 2.929 ( 0.000 1.510 -0.473) 1.582 3.067 ( 0.000 9.073 -1.657) 9.223 3.137 ( 0.000 1.989 1.877) 2.735 3.331 ( 0.000 7.323 -6.796) 9.991 3.354 ( 0.000 12.721 -10.535) 16.517 3.567 ( 0.000 7.726 5.003) 9.205 3.806 ( 0.000 11.119 -3.463) 11.645 3.839 ( 0.000 4.133 1.759) 4.492 3.843 ( 0.000 1.928 6.408) 6.692 4.366 ( 0.000 -1.203 -1.822) 2.183 4.380 ( 0.000 0.576 8.788) 8.807 4.449 ( 0.000 -2.154 -6.325) 6.682 4.719 ( 0.000 0.263 6.948) 6.953 4.814 ( 0.000 3.056 5.977) 6.713 5.036 ( 0.000 -1.854 -1.521) 2.398 5.308 ( 0.000 -11.043 2.763) 11.383 5.423 ( 0.000 -4.653 2.151) 5.126 5.544 ( 0.000 -8.236 -0.174) 8.238 5.752 ( 0.000 -4.526 -15.447) 16.097 5.963 ( 0.000 -3.929 0.993) 4.053 6.172 ( 0.000 -5.351 1.289) 5.504 6.259 ( 0.000 -6.927 8.736) 11.149 6.294 ( 0.000 -4.848 1.930) 5.218 6.780 ( 0.000 -2.932 5.276) 6.036 6.873 ( 0.000 7.535 1.541) 7.691 6.932 ( 0.000 -7.523 1.060) 7.597 7.006 ( 0.000 6.448 5.783) 8.662 7.077 ( 0.000 4.922 -2.852) 5.689 7.396 ( 0.000 12.327 -7.828) 14.603 7.657 ( 0.000 5.835 0.174) 5.838 7.750 ( 0.000 6.713 4.648) 8.165 7.884 ( 0.000 -1.135 -7.804) 7.886 7.952 ( 0.000 4.521 0.577) 4.558 8.284 ( 0.000 4.110 8.620) 9.550 8.373 ( 0.000 -2.039 -1.159) 2.345 8.619 ( 0.000 -8.508 1.658) 8.668 8.874 ( 0.000 -1.870 -6.814) 7.066 8.920 ( 0.000 6.848 -12.595) 14.336 9.017 ( 0.000 -1.050 2.290) 2.520 9.107 ( 0.000 -2.199 0.743) 2.321 9.137 ( 0.000 2.879 -3.343) 4.412 9.141 ( 0.000 3.940 -0.339) 3.955 9.203 ( 0.000 4.722 -0.368) 4.736 9.358 ( 0.000 2.866 2.101) 3.553 9.439 ( 0.000 1.786 2.100) 2.757 9.545 ( 0.000 1.568 -2.188) 2.692 9.615 ( 0.000 2.617 -1.911) 3.240 9.853 ( 0.000 2.252 0.341) 2.278 9.860 ( 0.000 2.378 0.098) 2.380 11.335 ( 0.000 24.419 -21.067) 32.251 11.766 ( 0.000 9.070 -22.105) 23.893 12.480 ( 0.000 9.863 12.806) 16.164 12.852 ( 0.000 14.120 -10.643) 17.682 12.999 ( 0.000 -3.807 5.757) 6.902 13.638 ( 0.000 16.535 -27.279) 31.899 13.814 ( 0.000 1.977 2.469) 3.163 13.960 ( 0.000 1.563 -1.353) 2.068 14.715 ( 0.000 1.624 1.638) 2.307 14.757 ( 0.000 1.365 0.509) 1.457 17.663 ( 0.000 -28.297 22.969) 36.445 17.738 ( 0.000 -8.636 1.988) 8.862 18.029 ( 0.000 -6.692 -0.318) 6.699 18.030 ( 0.000 -3.766 -0.853) 3.861 18.467 ( 0.000 -9.910 8.043) 12.763 18.649 ( 0.000 -4.962 -0.286) 4.970 18.663 ( 0.000 -5.227 -1.123) 5.347 18.701 ( 0.000 -11.545 -0.406) 11.552 19.031 ( 0.000 -14.553 18.160) 23.272 19.556 ( 0.000 -9.857 -2.791) 10.245 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.25 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 15.139 11.361 9.790) 21.310 1.002 ( 16.567 20.588 9.969) 28.244 1.550 ( -7.605 3.917 -2.618) 8.946 1.585 ( 21.549 20.708 3.336) 30.072 1.754 ( -0.458 18.315 -8.809) 20.329 1.911 ( 0.416 8.494 -12.208) 14.878 2.003 ( -10.827 15.298 2.549) 18.914 2.144 ( -7.164 8.517 -2.699) 11.452 2.261 ( 5.316 14.238 7.852) 17.107 2.454 ( -13.755 10.959 1.242) 17.631 2.574 ( -5.885 1.952 4.707) 7.784 2.739 ( -0.383 8.010 6.195) 10.133 2.837 ( 1.138 2.218 0.503) 2.544 2.936 ( 7.430 3.116 0.104) 8.058 2.969 ( 9.039 3.489 1.052) 9.746 3.124 ( 5.274 6.361 -1.604) 8.418 3.163 ( 5.034 0.789 -1.309) 5.261 3.246 ( 10.403 2.737 -2.864) 11.131 3.261 ( -0.606 3.953 -3.788) 5.509 3.423 ( -4.644 9.204 -0.206) 10.311 3.601 ( 4.335 10.947 -0.098) 11.774 3.722 ( -6.314 6.295 -1.219) 8.999 3.801 ( -15.068 7.696 7.288) 18.422 3.873 ( 6.372 4.966 -1.641) 8.244 4.001 ( -16.404 5.782 8.287) 19.267 4.313 ( -4.163 1.387 6.058) 7.480 4.510 ( 3.383 -2.912 -3.839) 5.888 4.642 ( 11.836 -0.434 -0.812) 11.872 4.764 ( -15.904 0.526 0.119) 15.913 5.141 ( -3.037 -1.119 -12.283) 12.703 5.204 ( -7.684 -4.106 -4.592) 9.848 5.376 ( -12.332 -6.058 -1.933) 13.875 5.526 ( 19.135 -3.334 6.634) 20.526 5.924 ( 6.168 -5.853 -7.971) 11.655 6.043 ( 8.086 -5.682 3.568) 10.507 6.181 ( 0.518 -5.264 -0.147) 5.291 6.254 ( -2.252 -4.116 5.031) 6.879 6.334 ( 1.248 -7.269 6.304) 9.702 6.762 ( -0.890 -3.171 4.370) 5.472 6.824 ( -2.164 -1.809 2.927) 4.065 6.983 ( 2.615 1.685 0.707) 3.190 7.033 ( 1.468 3.760 1.612) 4.346 7.107 ( 1.801 8.048 -2.418) 8.594 7.192 ( -7.038 12.609 -2.709) 14.692 7.724 ( 4.037 6.615 1.780) 7.951 7.892 ( 0.685 -2.104 -3.376) 4.037 7.923 ( 4.379 2.757 1.870) 5.502 8.004 ( 1.934 1.144 1.247) 2.570 8.229 ( -4.181 3.882 8.661) 10.371 8.274 ( -6.671 3.899 1.563) 7.884 8.699 ( 5.402 -7.207 -1.348) 9.107 8.903 ( 3.117 0.833 -6.962) 7.673 8.987 ( 1.599 -2.280 -2.289) 3.605 9.045 ( -0.236 -2.107 -0.915) 2.309 9.059 ( 3.388 -2.481 -2.729) 5.008 9.160 ( -0.037 -3.715 -1.743) 4.103 9.200 ( 4.574 5.414 -1.286) 7.204 9.230 ( 2.537 4.444 -4.534) 6.837 9.318 ( -2.400 3.692 2.293) 4.965 9.416 ( -2.092 3.421 1.147) 4.171 9.529 ( -1.574 2.337 -3.150) 4.226 9.575 ( -3.284 3.811 -2.098) 5.450 9.856 ( 0.234 2.305 0.294) 2.335 9.862 ( 0.099 2.390 0.081) 2.393 11.323 ( -0.215 22.217 -16.979) 27.963 11.575 ( -12.390 13.257 -14.687) 23.344 12.429 ( -1.038 9.027 13.761) 16.491 12.671 ( -8.264 13.535 -1.381) 15.918 12.988 ( -1.112 -0.731 1.907) 2.326 13.133 ( -15.727 2.237 2.322) 16.055 13.847 ( 2.458 2.264 1.246) 3.566 13.947 ( -1.656 1.652 -0.616) 2.419 15.121 ( 31.519 -0.253 4.196) 31.798 15.837 ( 44.401 -9.382 -33.738) 56.549 17.030 ( -28.213 -14.612 10.865) 33.579 17.589 ( -22.609 -10.703 -11.853) 27.680 18.134 ( 1.848 -5.383 8.466) 10.202 18.179 ( 7.916 -15.122 20.439) 26.629 18.381 ( -1.486 -3.855 1.413) 4.367 18.610 ( -2.688 -5.250 -0.232) 5.903 18.723 ( 3.987 -6.844 1.851) 8.134 18.823 ( 4.045 -5.393 -2.395) 7.154 19.076 ( 8.801 -10.302 7.317) 15.399 19.560 ( -3.652 -14.359 -5.026) 15.645 ======================= Grid point 72 (27/63) ======================= q-point: (-0.50 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -17.876 5.440 0.352) 18.689 1.199 ( 17.876 5.440 0.352) 18.689 1.433 ( -19.219 18.524 3.885) 26.974 1.433 ( 19.219 18.524 3.885) 26.974 1.923 ( -4.361 5.078 -12.306) 14.009 1.923 ( 4.361 5.078 -12.306) 14.009 2.030 ( -4.725 17.610 -7.206) 19.605 2.030 ( 4.725 17.610 -7.206) 19.605 2.264 ( -9.901 9.082 3.570) 13.902 2.264 ( 9.901 9.082 3.570) 13.902 2.768 ( -9.223 6.169 5.379) 12.331 2.768 ( 9.223 6.169 5.379) 12.331 2.870 ( -22.161 8.248 13.732) 27.344 2.870 ( 22.161 8.248 13.732) 27.344 3.131 ( -7.421 3.109 -0.206) 8.049 3.131 ( 7.421 3.109 -0.206) 8.049 3.221 ( -2.368 2.607 0.125) 3.525 3.221 ( 2.368 2.607 0.125) 3.525 3.309 ( -7.051 7.404 0.614) 10.243 3.309 ( 7.051 7.404 0.614) 10.243 3.585 ( -6.428 5.899 -1.471) 8.848 3.585 ( 6.428 5.899 -1.471) 8.848 3.768 ( -10.935 8.542 4.817) 14.688 3.768 ( 10.935 8.542 4.817) 14.688 4.151 ( -13.693 2.627 -1.492) 14.023 4.151 ( 13.693 2.627 -1.492) 14.023 4.547 ( -3.118 0.615 -1.959) 3.734 4.547 ( 3.118 0.615 -1.959) 3.734 4.960 ( -13.470 -0.599 -2.702) 13.752 4.960 ( 13.470 -0.599 -2.702) 13.752 5.133 ( -3.733 -4.222 -11.407) 12.723 5.133 ( 3.733 -4.222 -11.407) 12.723 5.899 ( -9.894 -6.402 4.211) 12.515 5.899 ( 9.894 -6.402 4.211) 12.515 6.168 ( -1.412 -5.310 0.538) 5.521 6.168 ( 1.412 -5.310 0.538) 5.521 6.276 ( -6.238 -4.456 4.128) 8.707 6.276 ( 6.238 -4.456 4.128) 8.707 6.775 ( -2.006 -3.142 3.358) 5.018 6.775 ( 2.006 -3.142 3.358) 5.018 7.036 ( -1.468 2.784 0.157) 3.152 7.036 ( 1.468 2.784 0.157) 3.152 7.124 ( -0.343 9.668 -3.301) 10.222 7.124 ( 0.343 9.668 -3.301) 10.222 7.843 ( -5.515 1.878 2.209) 6.230 7.843 ( 5.515 1.878 2.209) 6.230 7.995 ( -1.566 0.551 2.966) 3.399 7.995 ( 1.566 0.551 2.966) 3.399 8.162 ( -1.100 8.869 4.904) 10.194 8.162 ( 1.100 8.869 4.904) 10.194 8.836 ( -6.410 -5.620 -2.828) 8.981 8.836 ( 6.410 -5.620 -2.828) 8.981 9.069 ( -1.008 -4.886 -0.440) 5.008 9.069 ( 1.008 -4.886 -0.440) 5.008 9.111 ( -3.519 0.479 -1.740) 3.955 9.111 ( 3.519 0.479 -1.740) 3.955 9.276 ( -1.914 1.788 -4.866) 5.526 9.276 ( 1.914 1.788 -4.866) 5.526 9.342 ( -5.304 1.676 0.815) 5.622 9.342 ( 5.304 1.676 0.815) 5.622 9.508 ( -1.440 6.031 -3.756) 7.249 9.508 ( 1.440 6.031 -3.756) 7.249 9.861 ( -0.185 2.386 0.165) 2.399 9.861 ( 0.185 2.386 0.165) 2.399 11.372 ( -5.425 15.759 -12.241) 20.679 11.372 ( 5.425 15.759 -12.241) 20.679 12.501 ( -6.699 10.142 5.329) 13.272 12.501 ( 6.699 10.142 5.329) 13.272 12.977 ( -1.231 -1.247 2.696) 3.215 12.977 ( 1.231 -1.247 2.696) 3.215 13.902 ( -2.332 1.887 0.459) 3.035 13.902 ( 2.332 1.887 0.459) 3.035 15.882 ( -31.741 -3.014 3.254) 32.049 15.882 ( 31.741 -3.014 3.254) 32.049 17.035 ( -24.594 -14.023 -18.243) 33.679 17.035 ( 24.594 -14.023 -18.243) 33.679 18.173 ( -2.497 -7.097 15.193) 16.954 18.173 ( 2.497 -7.097 15.193) 16.954 18.500 ( -7.007 -5.547 1.180) 9.014 18.500 ( 7.007 -5.547 1.180) 9.014 18.813 ( -3.171 -5.352 1.129) 6.322 18.813 ( 3.171 -5.352 1.129) 6.322 19.361 ( -13.058 -12.104 -3.504) 18.146 19.361 ( 13.058 -12.104 -3.504) 18.146 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 0.000 17.292 14.761) 22.736 1.207 ( 0.000 24.178 10.975) 26.552 1.676 ( 0.000 7.440 1.995) 7.703 1.952 ( 0.000 5.957 -12.878) 14.190 2.084 ( 0.000 30.092 0.564) 30.098 2.182 ( 0.000 16.105 -9.885) 18.897 2.452 ( 0.000 19.211 1.701) 19.286 2.544 ( 0.000 5.736 0.922) 5.810 2.589 ( 0.000 7.539 -0.895) 7.592 2.675 ( 0.000 0.341 2.601) 2.623 2.696 ( 0.000 -3.682 0.955) 3.804 2.723 ( 0.000 16.791 9.529) 19.306 2.953 ( 0.000 3.347 0.870) 3.459 2.987 ( 0.000 5.119 0.422) 5.137 3.049 ( 0.000 8.488 -5.065) 9.884 3.122 ( 0.000 18.976 -1.363) 19.025 3.227 ( 0.000 8.637 5.207) 10.086 3.279 ( 0.000 12.881 -0.364) 12.886 3.482 ( 0.000 6.531 -2.400) 6.958 3.677 ( 0.000 16.021 -6.571) 17.316 3.809 ( 0.000 15.512 2.554) 15.721 3.893 ( 0.000 2.508 8.488) 8.851 3.925 ( 0.000 7.880 -0.938) 7.935 4.116 ( 0.000 10.876 -7.440) 13.177 4.388 ( 0.000 -3.649 -4.732) 5.976 4.395 ( 0.000 8.509 3.229) 9.101 4.450 ( 0.000 9.087 7.994) 12.103 4.791 ( 0.000 6.445 4.413) 7.811 4.931 ( 0.000 9.096 4.579) 10.184 5.009 ( 0.000 -1.342 4.085) 4.299 5.217 ( 0.000 3.226 -10.239) 10.735 5.332 ( 0.000 -12.236 -2.494) 12.488 5.391 ( 0.000 -0.832 -1.502) 1.717 5.606 ( 0.000 -10.048 -14.540) 17.674 5.840 ( 0.000 -8.626 -2.196) 8.901 6.037 ( 0.000 -7.894 -2.204) 8.196 6.137 ( 0.000 -3.933 9.753) 10.516 6.174 ( 0.000 -6.555 4.920) 8.196 6.692 ( 0.000 -5.221 4.397) 6.826 6.733 ( 0.000 -11.424 1.924) 11.585 7.018 ( 0.000 6.346 0.720) 6.386 7.155 ( 0.000 6.831 6.801) 9.639 7.187 ( 0.000 5.676 -2.603) 6.245 7.565 ( 0.000 5.155 -4.175) 6.634 7.779 ( 0.000 5.309 -1.298) 5.465 7.861 ( 0.000 -0.507 -5.294) 5.319 7.903 ( 0.000 6.767 4.361) 8.050 8.029 ( 0.000 1.554 2.145) 2.649 8.308 ( 0.000 -3.060 3.186) 4.418 8.371 ( 0.000 -1.476 1.621) 2.192 8.508 ( 0.000 2.041 6.775) 7.076 8.836 ( 0.000 -3.136 -9.638) 10.136 8.962 ( 0.000 -1.169 -3.564) 3.751 8.972 ( 0.000 -3.132 1.615) 3.524 9.048 ( 0.000 -2.991 2.804) 4.100 9.105 ( 0.000 -0.664 -4.758) 4.804 9.235 ( 0.000 6.646 -0.912) 6.709 9.391 ( 0.000 7.163 -2.959) 7.750 9.396 ( 0.000 -0.222 0.154) 0.270 9.486 ( 0.000 2.940 1.326) 3.225 9.572 ( 0.000 1.076 -0.636) 1.250 9.689 ( 0.000 4.708 -2.767) 5.461 9.956 ( 0.000 7.271 0.610) 7.297 9.956 ( 0.000 7.713 1.239) 7.812 11.624 ( 0.000 9.061 -7.665) 11.868 12.007 ( 0.000 14.405 -18.994) 23.838 12.769 ( 0.000 18.176 12.576) 22.102 12.905 ( 0.000 -4.696 6.511) 8.028 13.032 ( 0.000 6.837 -2.507) 7.283 13.874 ( 0.000 3.941 2.076) 4.454 13.905 ( 0.000 8.220 -30.151) 31.252 14.001 ( 0.000 2.245 -1.100) 2.500 14.761 ( 0.000 2.843 1.053) 3.032 14.797 ( 0.000 2.508 0.271) 2.523 17.137 ( 0.000 -22.651 23.382) 32.554 17.442 ( 0.000 -20.296 1.129) 20.328 17.895 ( 0.000 -5.940 0.051) 5.940 17.933 ( 0.000 -5.866 -2.253) 6.284 18.311 ( 0.000 -6.525 4.805) 8.103 18.447 ( 0.000 -13.522 1.863) 13.650 18.511 ( 0.000 -8.325 -1.900) 8.539 18.529 ( 0.000 -7.420 -0.697) 7.452 18.806 ( 0.000 -10.156 7.946) 12.895 19.282 ( 0.000 -16.564 -3.734) 16.980 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.25 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 9.767 15.687 10.346) 21.178 1.382 ( 14.172 18.399 8.508) 24.734 1.645 ( -8.221 5.975 0.003) 10.163 1.913 ( 4.142 9.686 -5.925) 12.086 2.107 ( -1.655 16.124 -7.995) 18.073 2.221 ( -15.684 12.114 -1.502) 19.874 2.310 ( 1.379 15.485 -6.555) 16.871 2.348 ( -4.992 9.066 -4.929) 11.463 2.548 ( 2.546 12.778 6.985) 14.784 2.652 ( 3.642 12.334 9.119) 15.766 2.833 ( 2.188 4.852 1.121) 5.439 2.845 ( -4.337 8.469 -2.715) 9.895 2.899 ( 1.799 8.851 0.429) 9.043 3.036 ( 5.551 7.496 3.302) 9.894 3.135 ( 1.833 11.278 5.488) 12.676 3.178 ( 5.782 4.369 -1.267) 7.356 3.266 ( 8.491 7.203 -3.008) 11.534 3.359 ( 5.021 11.075 2.834) 12.486 3.439 ( 0.459 10.788 -1.489) 10.900 3.682 ( -8.531 13.744 0.305) 16.179 3.785 ( -8.080 4.997 7.443) 12.068 3.852 ( 7.325 10.671 -1.544) 13.035 4.018 ( 6.617 9.959 -3.350) 12.417 4.063 ( -9.179 12.280 -1.280) 15.385 4.250 ( -10.640 19.033 5.429) 22.471 4.385 ( -3.471 5.496 2.964) 7.144 4.457 ( 4.296 -0.419 -0.125) 4.318 4.684 ( 5.959 6.973 0.274) 9.177 4.803 ( -9.511 2.439 2.334) 10.092 5.096 ( -5.837 -0.676 -10.307) 11.864 5.182 ( -5.457 -2.351 -11.425) 12.878 5.235 ( -8.229 -3.519 -3.169) 9.495 5.447 ( 14.535 -3.826 4.782) 15.772 5.749 ( 4.559 -11.242 -6.846) 13.930 5.905 ( 6.723 -8.613 -1.291) 11.002 6.040 ( -0.111 -8.417 -1.684) 8.585 6.164 ( -0.679 -4.449 6.121) 7.598 6.179 ( 1.864 -6.569 7.172) 9.903 6.667 ( -1.414 -6.051 2.808) 6.819 6.703 ( -1.649 -7.574 3.221) 8.394 7.023 ( 0.069 1.822 1.811) 2.570 7.094 ( -1.870 2.573 0.414) 3.208 7.293 ( 4.739 8.597 -0.328) 9.823 7.460 ( -4.476 11.780 -3.387) 13.049 7.842 ( 0.181 0.636 0.010) 0.661 7.868 ( 2.896 3.587 0.221) 4.615 7.991 ( 3.709 3.384 2.934) 5.815 8.038 ( 1.162 1.117 2.106) 2.652 8.293 ( 0.563 2.212 2.460) 3.356 8.400 ( -0.668 4.299 4.744) 6.437 8.544 ( 4.622 -5.127 3.229) 7.620 8.836 ( -2.353 -6.491 -4.517) 8.251 8.951 ( 0.474 -0.937 -1.538) 1.862 8.989 ( -0.052 -4.198 -1.057) 4.329 9.021 ( 0.767 -0.776 0.285) 1.127 9.136 ( 1.513 0.767 -2.312) 2.867 9.228 ( 0.662 2.115 -5.214) 5.665 9.321 ( -2.089 1.493 1.961) 3.230 9.417 ( -1.423 3.525 -3.860) 5.418 9.497 ( -1.162 3.617 0.854) 3.894 9.566 ( 0.670 1.872 -2.446) 3.152 9.668 ( -1.645 5.501 -3.183) 6.565 9.956 ( 0.170 7.312 0.698) 7.347 9.961 ( 0.194 7.237 0.664) 7.270 11.638 ( 2.064 12.208 -6.516) 13.992 11.957 ( -6.584 21.203 -19.129) 29.306 12.652 ( -5.904 10.086 13.694) 18.003 12.857 ( 0.523 6.496 2.099) 6.847 13.028 ( -1.710 4.665 0.286) 4.976 13.291 ( -27.468 13.575 -6.360) 31.292 13.907 ( 2.035 3.342 0.851) 4.004 13.990 ( -1.516 2.405 -0.425) 2.875 15.112 ( 27.948 -0.644 3.496) 28.173 15.616 ( 42.082 -11.146 -19.249) 47.599 16.698 ( -26.421 -16.852 15.598) 35.006 17.271 ( -22.474 -20.299 -7.969) 31.315 17.911 ( 7.396 -10.479 13.311) 18.485 18.006 ( 1.079 -6.978 6.078) 9.317 18.289 ( 0.138 -5.096 0.348) 5.110 18.475 ( -2.876 -7.718 -1.929) 8.459 18.561 ( 5.557 -8.969 0.880) 10.587 18.666 ( 7.244 -10.057 -3.370) 12.845 18.826 ( 4.825 -13.276 6.453) 15.530 19.236 ( -4.784 -17.595 -3.920) 18.650 ======================= Grid point 77 (30/63) ======================= q-point: (-0.50 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( -14.232 10.286 3.347) 17.876 1.364 ( 14.232 10.286 3.347) 17.876 1.765 ( -19.423 13.224 5.439) 24.118 1.765 ( 19.423 13.224 5.439) 24.118 2.065 ( -6.003 8.448 -9.506) 14.063 2.065 ( 6.003 8.448 -9.506) 14.063 2.311 ( -5.230 10.491 -3.271) 12.170 2.311 ( 5.230 10.491 -3.271) 12.170 2.595 ( -8.679 18.581 -3.864) 20.869 2.595 ( 8.679 18.581 -3.864) 20.869 2.878 ( -4.196 2.745 2.818) 5.752 2.878 ( 4.196 2.745 2.818) 5.752 3.026 ( -8.585 7.038 7.815) 13.576 3.026 ( 8.585 7.038 7.815) 13.576 3.229 ( -8.631 5.515 0.412) 10.251 3.229 ( 8.631 5.515 0.412) 10.251 3.400 ( -6.998 16.688 5.109) 18.804 3.400 ( 6.998 16.688 5.109) 18.804 3.519 ( -3.523 11.466 -1.570) 12.097 3.519 ( 3.523 11.466 -1.570) 12.097 3.696 ( -8.937 7.242 3.371) 11.987 3.696 ( 8.937 7.242 3.371) 11.987 4.065 ( -8.034 18.381 2.674) 20.238 4.065 ( 8.034 18.381 2.674) 20.238 4.254 ( -10.489 7.941 -2.318) 13.358 4.254 ( 10.489 7.941 -2.318) 13.358 4.572 ( -6.140 1.980 1.077) 6.541 4.572 ( 6.140 1.980 1.077) 6.541 4.960 ( -12.576 -0.983 -2.657) 12.891 4.960 ( 12.576 -0.983 -2.657) 12.891 5.067 ( -2.913 1.225 -13.018) 13.396 5.067 ( 2.913 1.225 -13.018) 13.396 5.723 ( -7.379 -10.534 2.232) 13.054 5.723 ( 7.379 -10.534 2.232) 13.054 6.019 ( -2.100 -9.523 -2.081) 9.971 6.019 ( 2.100 -9.523 -2.081) 9.971 6.175 ( -1.990 -4.766 5.649) 7.654 6.175 ( 1.990 -4.766 5.649) 7.654 6.667 ( -1.316 -6.031 2.416) 6.629 6.667 ( 1.316 -6.031 2.416) 6.629 7.047 ( -2.135 -0.290 1.322) 2.528 7.047 ( 2.135 -0.290 1.322) 2.528 7.381 ( -3.525 11.992 -3.428) 12.961 7.381 ( 3.525 11.992 -3.428) 12.961 7.876 ( -1.822 1.214 3.757) 4.348 7.876 ( 1.822 1.214 3.757) 4.348 8.037 ( -1.710 3.155 2.065) 4.140 8.037 ( 1.710 3.155 2.065) 4.140 8.342 ( -3.309 7.235 4.205) 8.999 8.342 ( 3.309 7.235 4.205) 8.999 8.698 ( -8.117 -7.601 0.366) 11.127 8.698 ( 8.117 -7.601 0.366) 11.127 8.976 ( -0.842 -3.401 -0.698) 3.572 8.976 ( 0.842 -3.401 -0.698) 3.572 9.098 ( -4.263 -1.305 -2.327) 5.029 9.098 ( 4.263 -1.305 -2.327) 5.029 9.299 ( -3.993 1.750 -2.825) 5.195 9.299 ( 3.993 1.750 -2.825) 5.195 9.405 ( -4.307 1.078 -1.777) 4.783 9.405 ( 4.307 1.078 -1.777) 4.783 9.619 ( -2.779 5.590 -3.509) 7.161 9.619 ( 2.779 5.590 -3.509) 7.161 9.961 ( -0.185 7.091 0.466) 7.108 9.961 ( 0.185 7.091 0.466) 7.108 11.752 ( -8.570 20.264 -9.040) 23.786 11.752 ( 8.570 20.264 -9.040) 23.786 12.738 ( -11.236 10.790 0.899) 15.604 12.738 ( 11.236 10.790 0.899) 15.604 12.996 ( -2.392 5.806 3.534) 7.206 12.996 ( 2.392 5.806 3.534) 7.206 13.951 ( -1.903 2.771 0.337) 3.378 13.951 ( 1.903 2.771 0.337) 3.378 15.794 ( -28.468 -5.519 2.590) 29.114 15.794 ( 28.468 -5.519 2.590) 29.114 16.670 ( -27.988 -20.572 -9.442) 35.996 16.670 ( 27.988 -20.572 -9.442) 35.996 18.005 ( -1.325 -8.836 12.093) 15.036 18.005 ( 1.325 -8.836 12.093) 15.036 18.369 ( -5.787 -6.886 -1.141) 9.067 18.369 ( 5.787 -6.886 -1.141) 9.067 18.669 ( -3.610 -8.423 0.582) 9.183 18.669 ( 3.610 -8.423 0.582) 9.183 19.056 ( -11.137 -17.209 -2.443) 20.643 19.056 ( 11.137 -17.209 -2.443) 20.643 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.000 17.533 11.284) 20.850 1.691 ( 0.000 22.656 5.173) 23.239 1.841 ( 0.000 8.934 3.178) 9.482 2.095 ( 0.000 8.870 -8.064) 11.987 2.412 ( 0.000 4.685 -6.283) 7.838 2.476 ( 0.000 13.546 -3.421) 13.971 2.584 ( 0.000 -6.075 0.525) 6.097 2.595 ( 0.000 1.994 -0.268) 2.012 2.697 ( 0.000 3.464 -1.466) 3.762 2.698 ( 0.000 6.770 -6.050) 9.079 2.903 ( 0.000 15.310 4.620) 15.992 2.968 ( 0.000 6.511 5.760) 8.693 3.040 ( 0.000 5.577 2.892) 6.282 3.090 ( 0.000 4.954 1.765) 5.259 3.224 ( 0.000 8.895 -1.036) 8.955 3.456 ( 0.000 10.337 5.175) 11.560 3.459 ( 0.000 11.779 -0.620) 11.795 3.534 ( 0.000 7.086 -3.340) 7.834 3.704 ( 0.000 18.006 2.750) 18.215 3.845 ( 0.000 0.774 0.664) 1.020 3.898 ( 0.000 0.950 9.862) 9.907 4.126 ( 0.000 9.889 2.186) 10.128 4.149 ( 0.000 -3.032 -3.426) 4.575 4.226 ( 0.000 21.322 -0.954) 21.343 4.355 ( 0.000 5.093 -3.666) 6.275 4.712 ( 0.000 19.197 -4.233) 19.659 4.800 ( 0.000 -6.550 2.687) 7.079 4.842 ( 0.000 24.760 4.800) 25.221 5.070 ( 0.000 -12.421 -1.227) 12.481 5.155 ( 0.000 16.951 -0.303) 16.954 5.177 ( 0.000 11.725 2.587) 12.007 5.343 ( 0.000 -5.484 -1.769) 5.762 5.369 ( 0.000 -10.405 -11.673) 15.637 5.415 ( 0.000 14.637 -9.333) 17.359 5.621 ( 0.000 -11.663 -1.764) 11.796 5.879 ( 0.000 -6.910 -5.841) 9.048 6.058 ( 0.000 -4.044 7.331) 8.372 6.121 ( 0.000 2.181 5.613) 6.021 6.514 ( 0.000 -8.749 3.681) 9.491 6.589 ( 0.000 -4.443 3.018) 5.371 7.133 ( 0.000 5.333 2.280) 5.800 7.264 ( 0.000 4.197 4.647) 6.262 7.311 ( 0.000 6.775 -2.393) 7.185 7.607 ( 0.000 -0.772 -2.672) 2.781 7.806 ( 0.000 -3.065 -0.646) 3.132 7.867 ( 0.000 1.146 -4.012) 4.173 8.010 ( 0.000 4.373 2.375) 4.977 8.042 ( 0.000 0.081 4.706) 4.707 8.228 ( 0.000 -9.265 -1.409) 9.371 8.297 ( 0.000 1.490 3.372) 3.687 8.578 ( 0.000 0.450 4.615) 4.637 8.733 ( 0.000 -6.397 -3.118) 7.116 8.894 ( 0.000 -4.501 -2.522) 5.159 8.936 ( 0.000 -0.658 1.953) 2.061 9.007 ( 0.000 -1.130 3.505) 3.683 9.133 ( 0.000 2.511 -5.821) 6.339 9.342 ( 0.000 -1.796 3.490) 3.925 9.366 ( 0.000 2.653 -3.412) 4.322 9.432 ( 0.000 -1.310 -5.755) 5.902 9.552 ( 0.000 0.123 2.149) 2.152 9.612 ( 0.000 4.760 -1.079) 4.881 9.796 ( 0.000 5.325 -4.381) 6.896 10.108 ( 0.000 5.361 0.467) 5.382 10.111 ( 0.000 5.966 0.926) 6.037 11.822 ( 0.000 12.789 -0.234) 12.791 12.346 ( 0.000 19.095 -16.486) 25.227 12.844 ( 0.000 -0.283 6.903) 6.909 13.185 ( 0.000 22.092 11.578) 24.943 13.205 ( 0.000 10.896 -2.329) 11.142 13.919 ( 0.000 -0.698 -4.895) 4.945 14.043 ( 0.000 1.787 -0.419) 1.836 14.046 ( 0.000 7.805 -11.377) 13.797 14.826 ( 0.000 3.443 0.417) 3.469 14.855 ( 0.000 3.118 -0.053) 3.119 16.702 ( 0.000 -21.501 12.778) 25.011 16.956 ( 0.000 -26.818 0.613) 26.825 17.789 ( 0.000 -4.649 -0.372) 4.664 17.801 ( 0.000 -6.888 -2.538) 7.341 18.146 ( 0.000 -11.823 6.709) 13.594 18.218 ( 0.000 -6.570 1.169) 6.673 18.335 ( 0.000 -8.495 -1.710) 8.666 18.376 ( 0.000 -7.532 -1.277) 7.639 18.599 ( 0.000 -10.173 3.294) 10.693 18.912 ( 0.000 -19.480 -3.616) 19.813 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.25 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 6.484 15.730 10.170) 19.822 1.728 ( 0.735 12.498 4.101) 13.174 1.821 ( -0.459 14.047 3.475) 14.478 2.102 ( 2.777 9.627 -4.707) 11.070 2.324 ( -12.130 0.668 -1.607) 12.254 2.365 ( -8.307 6.941 -2.570) 11.127 2.517 ( -0.888 11.050 -3.171) 11.531 2.555 ( 2.581 9.640 -5.710) 11.498 2.744 ( -0.326 7.886 2.160) 8.183 2.766 ( 4.438 -0.889 1.074) 4.652 2.866 ( 0.597 2.255 1.487) 2.766 3.019 ( 0.383 8.321 -1.059) 8.396 3.102 ( -1.886 5.949 -0.741) 6.285 3.169 ( 10.337 5.189 0.461) 11.576 3.275 ( 2.632 6.868 1.189) 7.450 3.401 ( -1.141 11.628 -1.084) 11.734 3.481 ( 2.977 9.885 4.428) 11.233 3.612 ( 4.013 5.704 -0.411) 6.986 3.699 ( 0.951 16.981 4.305) 17.543 3.810 ( -4.618 3.413 4.959) 7.587 3.983 ( 2.060 3.840 3.821) 5.796 4.049 ( 0.401 14.308 3.574) 14.754 4.159 ( 0.963 -0.299 -3.010) 3.174 4.334 ( 5.106 16.321 -2.328) 17.259 4.395 ( 5.507 5.164 -2.184) 7.859 4.658 ( -5.126 17.103 1.978) 17.963 4.693 ( -9.698 13.515 1.474) 16.700 4.798 ( -2.587 1.525 4.041) 5.035 4.982 ( -5.678 15.091 0.094) 16.124 5.024 ( -4.613 -1.205 -1.528) 5.007 5.190 ( -3.688 6.007 -13.771) 15.470 5.335 ( -1.376 6.993 -3.985) 8.165 5.399 ( 7.075 0.452 0.141) 7.091 5.503 ( 2.259 -9.597 -6.906) 12.037 5.701 ( 5.373 -10.036 -3.254) 11.840 5.859 ( -1.811 -8.364 -5.225) 10.027 6.073 ( 1.460 -2.526 8.099) 8.608 6.131 ( 0.241 0.769 6.239) 6.291 6.523 ( 1.077 -6.273 2.736) 6.927 6.587 ( -0.408 -4.171 2.731) 5.002 7.069 ( -3.179 3.042 2.700) 5.162 7.137 ( -5.975 1.863 1.469) 6.429 7.442 ( 6.571 6.480 -0.794) 9.263 7.624 ( -0.910 4.360 -4.360) 6.233 7.827 ( 2.371 -1.071 1.457) 2.982 7.922 ( 1.439 0.650 1.011) 1.875 8.047 ( 3.930 0.792 2.165) 4.556 8.064 ( 1.948 2.945 2.341) 4.236 8.284 ( 4.408 -9.219 0.151) 10.219 8.337 ( 4.022 0.960 0.632) 4.183 8.554 ( -2.003 -0.362 5.599) 5.957 8.703 ( -3.356 -5.889 -0.525) 6.799 8.907 ( 0.965 -3.185 -1.694) 3.734 8.945 ( 0.552 -0.504 1.380) 1.569 8.994 ( 0.202 -1.802 1.220) 2.185 9.161 ( -0.451 0.953 -3.370) 3.531 9.271 ( -2.501 0.221 -5.605) 6.142 9.330 ( -0.531 0.834 3.628) 3.760 9.424 ( -2.202 -1.779 -5.624) 6.296 9.504 ( -4.988 -1.416 0.710) 5.234 9.649 ( 3.256 4.906 -1.368) 6.045 9.788 ( -1.152 5.481 -4.062) 6.919 10.098 ( -0.622 4.691 0.013) 4.732 10.103 ( -0.614 5.175 0.165) 5.213 11.902 ( 7.545 15.220 0.352) 16.991 12.398 ( -0.502 22.646 -16.042) 27.757 12.735 ( -4.701 1.928 5.819) 7.726 13.135 ( -1.838 16.315 2.280) 16.575 13.183 ( -2.049 13.430 4.270) 14.240 13.584 ( -22.814 13.803 -6.450) 27.434 13.974 ( 1.422 3.417 0.979) 3.828 14.036 ( -1.349 1.964 0.094) 2.385 15.096 ( 22.798 -0.974 2.812) 22.991 15.418 ( 33.466 -8.223 -9.003) 35.618 16.358 ( -23.160 -17.076 11.078) 30.834 16.801 ( -18.545 -25.387 -4.032) 31.697 17.742 ( 3.413 -6.634 6.316) 9.775 17.859 ( 0.098 -7.442 3.833) 8.371 18.184 ( 0.273 -5.200 0.156) 5.209 18.306 ( 0.832 -9.240 -3.149) 9.798 18.370 ( 5.967 -9.565 0.962) 11.314 18.434 ( 7.518 -11.466 -0.953) 13.744 18.578 ( -1.512 -10.929 3.134) 11.470 18.858 ( -4.960 -19.360 -3.405) 20.273 ======================= Grid point 82 (33/63) ======================= q-point: (-0.50 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -9.086 11.308 6.370) 15.843 1.588 ( 9.086 11.308 6.370) 15.843 1.992 ( -12.884 9.859 2.920) 16.484 1.992 ( 12.884 9.859 2.920) 16.484 2.228 ( -6.293 6.985 -3.010) 9.872 2.228 ( 6.293 6.985 -3.010) 9.872 2.540 ( -2.187 13.050 -3.737) 13.750 2.540 ( 2.187 13.050 -3.737) 13.750 2.798 ( -2.748 1.671 -2.004) 3.789 2.798 ( 2.748 1.671 -2.004) 3.789 2.915 ( -4.178 2.810 -1.013) 5.137 2.915 ( 4.178 2.810 -1.013) 5.137 3.190 ( -4.617 7.948 3.611) 9.876 3.190 ( 4.617 7.948 3.611) 9.876 3.365 ( -4.679 7.436 -1.769) 8.962 3.365 ( 4.679 7.436 -1.769) 8.962 3.621 ( -7.019 4.486 2.259) 8.631 3.621 ( 7.019 4.486 2.259) 8.631 3.723 ( -3.694 7.225 1.251) 8.210 3.723 ( 3.694 7.225 1.251) 8.210 3.982 ( -5.895 15.756 6.442) 18.014 3.982 ( 5.895 15.756 6.442) 18.014 4.383 ( -13.394 9.981 -1.415) 16.763 4.383 ( 13.394 9.981 -1.415) 16.763 4.448 ( -5.195 10.091 -1.510) 11.449 4.448 ( 5.195 10.091 -1.510) 11.449 4.686 ( -7.712 10.249 5.654) 14.017 4.686 ( 7.712 10.249 5.654) 14.017 4.921 ( -2.344 2.377 -3.925) 5.152 4.921 ( 2.344 2.377 -3.925) 5.152 5.246 ( -5.341 12.730 -9.685) 16.863 5.246 ( 5.341 12.730 -9.685) 16.863 5.509 ( -2.114 -8.879 -1.858) 9.315 5.509 ( 2.114 -8.879 -1.858) 9.315 5.800 ( -3.488 -10.758 -4.225) 12.073 5.800 ( 3.488 -10.758 -4.225) 12.073 6.114 ( -1.727 -0.553 7.652) 7.864 6.114 ( 1.727 -0.553 7.652) 7.864 6.561 ( -1.888 -4.094 1.860) 4.877 6.561 ( 1.888 -4.094 1.860) 4.877 7.049 ( -1.669 0.930 2.520) 3.163 7.049 ( 1.669 0.930 2.520) 3.163 7.562 ( -4.218 6.192 -3.831) 8.415 7.562 ( 4.218 6.192 -3.831) 8.415 7.892 ( -2.913 0.274 4.418) 5.299 7.892 ( 2.913 0.274 4.418) 5.299 8.100 ( -0.517 2.767 0.612) 2.881 8.100 ( 0.517 2.767 0.612) 2.881 8.387 ( -3.397 -3.488 0.741) 4.925 8.387 ( 3.397 -3.488 0.741) 4.925 8.576 ( -6.403 -3.473 3.651) 8.148 8.576 ( 6.403 -3.473 3.651) 8.148 8.932 ( -1.210 -1.432 0.153) 1.881 8.932 ( 1.210 -1.432 0.153) 1.881 9.064 ( -5.108 -1.983 -1.392) 5.653 9.064 ( 5.108 -1.983 -1.392) 5.653 9.340 ( -4.367 -1.768 -4.782) 6.713 9.340 ( 4.367 -1.768 -4.782) 6.713 9.372 ( -4.302 0.406 0.068) 4.322 9.372 ( 4.302 0.406 0.068) 4.322 9.732 ( -3.662 4.793 -2.776) 6.640 9.732 ( 3.662 4.793 -2.776) 6.640 10.092 ( -0.184 4.262 -0.532) 4.298 10.092 ( 0.184 4.262 -0.532) 4.298 12.156 ( -14.701 19.407 -1.569) 24.396 12.156 ( 14.701 19.407 -1.569) 24.396 12.909 ( -14.996 9.074 -8.654) 19.548 12.909 ( 14.996 9.074 -8.654) 19.548 13.259 ( -7.426 17.719 7.139) 20.495 13.259 ( 7.426 17.719 7.139) 20.495 14.005 ( -1.345 2.428 0.340) 2.796 14.005 ( 1.345 2.428 0.340) 2.796 15.663 ( -23.934 -7.312 2.093) 25.114 15.663 ( 23.934 -7.312 2.093) 25.114 16.252 ( -26.344 -20.190 -3.588) 33.384 16.252 ( 26.344 -20.190 -3.588) 33.384 17.830 ( -2.812 -8.267 7.491) 11.505 17.830 ( 2.812 -8.267 7.491) 11.505 18.234 ( -3.972 -6.307 -1.773) 7.661 18.234 ( 3.972 -6.307 -1.773) 7.661 18.489 ( -3.781 -9.024 0.375) 9.791 18.489 ( 3.781 -9.024 0.375) 9.791 18.691 ( -9.807 -18.349 -1.911) 20.893 18.691 ( 9.807 -18.349 -1.911) 20.893 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 0.000 14.344 8.956) 16.910 2.028 ( 0.000 9.244 3.826) 10.004 2.060 ( 0.000 12.860 0.066) 12.860 2.282 ( 0.000 0.269 -5.894) 5.900 2.414 ( 0.000 8.200 2.352) 8.530 2.455 ( 0.000 -5.984 0.972) 6.062 2.668 ( 0.000 5.700 -1.076) 5.801 2.691 ( 0.000 3.570 -2.497) 4.357 2.805 ( 0.000 8.259 -2.449) 8.614 2.889 ( 0.000 11.949 -6.394) 13.552 3.074 ( 0.000 5.524 5.273) 7.637 3.136 ( 0.000 10.222 2.127) 10.441 3.169 ( 0.000 6.893 2.157) 7.223 3.195 ( 0.000 5.758 0.051) 5.758 3.361 ( 0.000 4.241 0.634) 4.288 3.571 ( 0.000 2.555 2.234) 3.394 3.604 ( 0.000 4.877 4.247) 6.467 3.654 ( 0.000 3.368 -4.824) 5.883 3.787 ( 0.000 -2.997 5.977) 6.686 3.801 ( 0.000 -3.711 2.269) 4.350 4.006 ( 0.000 0.008 0.845) 0.845 4.066 ( 0.000 -4.798 -1.292) 4.969 4.210 ( 0.000 3.557 2.451) 4.319 4.622 ( 0.000 -6.703 -0.241) 6.708 4.658 ( 0.000 14.928 -0.311) 14.931 4.720 ( 0.000 18.880 1.828) 18.969 4.756 ( 0.000 -10.072 -1.234) 10.148 5.014 ( 0.000 -13.381 0.125) 13.382 5.041 ( 0.000 -0.469 -12.932) 12.940 5.152 ( 0.000 -9.638 -1.488) 9.752 5.352 ( 0.000 21.215 2.601) 21.374 5.400 ( 0.000 7.463 1.475) 7.607 5.537 ( 0.000 17.374 -3.379) 17.699 5.641 ( 0.000 15.111 -1.320) 15.168 5.703 ( 0.000 4.564 -4.717) 6.563 5.811 ( 0.000 8.010 -8.438) 11.634 6.020 ( 0.000 -0.167 7.341) 7.343 6.205 ( 0.000 5.552 -0.740) 5.601 6.446 ( 0.000 2.939 5.546) 6.276 6.538 ( 0.000 0.187 4.229) 4.233 7.244 ( 0.000 5.669 3.500) 6.663 7.340 ( 0.000 3.801 3.161) 4.944 7.462 ( 0.000 8.005 -2.242) 8.313 7.557 ( 0.000 -3.345 -1.013) 3.495 7.708 ( 0.000 -5.347 2.065) 5.732 7.895 ( 0.000 0.130 -0.429) 0.448 7.997 ( 0.000 -6.173 -0.168) 6.176 8.078 ( 0.000 -2.512 1.709) 3.038 8.087 ( 0.000 3.292 1.313) 3.544 8.313 ( 0.000 -0.624 -2.126) 2.216 8.539 ( 0.000 -2.621 1.246) 2.902 8.595 ( 0.000 -6.988 -0.794) 7.033 8.818 ( 0.000 -2.625 0.553) 2.683 8.916 ( 0.000 -1.894 2.762) 3.349 8.974 ( 0.000 -2.654 4.659) 5.362 9.154 ( 0.000 -1.775 -4.217) 4.575 9.255 ( 0.000 -4.802 -5.795) 7.526 9.393 ( 0.000 -1.890 -6.775) 7.033 9.431 ( 0.000 2.826 4.155) 5.025 9.542 ( 0.000 0.473 1.073) 1.173 9.697 ( 0.000 2.749 -0.410) 2.780 9.873 ( 0.000 1.793 -4.442) 4.790 10.095 ( 0.000 -6.749 1.093) 6.837 10.154 ( 0.000 -1.926 -0.391) 1.965 12.190 ( 0.000 23.149 2.639) 23.299 12.743 ( 0.000 17.691 -13.235) 22.094 12.938 ( 0.000 11.324 6.165) 12.893 13.468 ( 0.000 14.363 -5.854) 15.510 13.629 ( 0.000 21.056 8.354) 22.653 13.859 ( 0.000 -4.162 -1.607) 4.461 14.071 ( 0.000 1.178 1.103) 1.614 14.227 ( 0.000 9.478 -3.740) 10.189 14.894 ( 0.000 3.177 0.252) 3.187 14.918 ( 0.000 2.970 -0.254) 2.981 16.246 ( 0.000 -23.653 5.662) 24.322 16.389 ( 0.000 -28.719 0.299) 28.721 17.670 ( 0.000 -5.613 -1.662) 5.854 17.704 ( 0.000 -3.796 -0.941) 3.911 17.912 ( 0.000 -10.390 6.842) 12.441 18.122 ( 0.000 -3.563 0.721) 3.635 18.184 ( 0.000 -6.286 -1.545) 6.473 18.228 ( 0.000 -7.259 -1.619) 7.438 18.405 ( 0.000 -8.725 0.814) 8.763 18.522 ( 0.000 -18.189 -2.145) 18.315 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.25 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 3.543 12.701 8.832) 15.871 1.921 ( -5.585 8.862 4.546) 11.419 2.121 ( 1.671 11.654 0.833) 11.803 2.248 ( -3.441 -1.275 -3.912) 5.364 2.356 ( -2.607 7.615 1.935) 8.278 2.409 ( -3.027 1.927 2.014) 4.115 2.710 ( 1.519 3.016 -2.901) 4.452 2.721 ( 2.790 2.935 -0.912) 4.151 2.806 ( 1.433 10.158 -2.323) 10.518 2.910 ( 2.530 9.225 -0.511) 9.579 2.985 ( -5.104 11.997 0.848) 13.065 3.144 ( -6.920 4.580 -2.348) 8.625 3.213 ( 4.332 6.556 0.356) 7.866 3.269 ( 9.576 4.636 -2.318) 10.889 3.398 ( 2.784 5.680 1.184) 6.436 3.577 ( -2.679 5.507 -0.991) 6.203 3.610 ( 1.394 3.608 3.593) 5.279 3.680 ( 2.682 1.554 1.372) 3.390 3.774 ( -2.080 -1.753 3.291) 4.270 3.920 ( 3.975 -0.690 -0.479) 4.063 3.986 ( 1.870 -1.598 4.042) 4.732 4.091 ( 3.880 -5.215 -1.560) 6.684 4.167 ( -0.519 -0.856 4.922) 5.023 4.581 ( -3.823 1.001 -0.392) 3.971 4.602 ( -3.528 -5.421 -0.355) 6.478 4.710 ( -1.866 6.712 0.097) 6.967 4.817 ( 1.443 5.348 0.609) 5.573 4.986 ( -3.311 1.570 5.395) 6.522 5.073 ( 0.839 -0.098 -3.456) 3.558 5.127 ( 3.489 2.423 -7.950) 9.013 5.334 ( -2.268 5.421 -1.361) 6.032 5.386 ( -0.828 8.533 -2.810) 9.021 5.487 ( -1.686 16.208 1.712) 16.385 5.653 ( 1.400 10.882 -7.511) 13.296 5.712 ( -3.268 13.208 -6.840) 15.229 5.749 ( -2.954 -1.534 -7.539) 8.241 6.074 ( 4.904 3.321 9.773) 11.428 6.230 ( 0.630 8.843 3.362) 9.481 6.463 ( 1.766 0.654 2.907) 3.464 6.541 ( -0.167 0.314 3.281) 3.300 7.155 ( -4.830 5.448 3.041) 7.891 7.179 ( -7.237 2.671 2.992) 8.274 7.569 ( 5.647 6.329 -1.651) 8.642 7.657 ( 2.192 -0.220 -2.676) 3.466 7.790 ( 5.498 -2.857 3.188) 6.968 7.918 ( -0.045 -1.178 2.405) 2.679 8.021 ( 4.630 -5.455 2.702) 7.648 8.120 ( 4.884 -1.040 -1.159) 5.126 8.127 ( 2.705 0.485 -0.247) 2.759 8.338 ( 1.716 -0.958 -3.245) 3.794 8.492 ( -3.170 -4.338 2.867) 6.090 8.599 ( -1.057 -4.694 -0.086) 4.813 8.852 ( 2.182 -2.350 -0.167) 3.211 8.928 ( 1.999 -1.721 2.495) 3.630 8.951 ( -1.724 -2.265 3.215) 4.294 9.125 ( -4.134 -4.797 -4.680) 7.874 9.230 ( -0.538 -3.812 -2.582) 4.635 9.346 ( -5.763 -0.127 1.760) 6.027 9.397 ( 0.387 0.551 -4.323) 4.375 9.508 ( -2.980 2.076 -0.309) 3.645 9.722 ( 2.217 2.007 -0.434) 3.022 9.859 ( -1.840 1.181 -3.201) 3.877 10.083 ( -0.483 -6.094 -0.178) 6.116 10.131 ( -1.802 -2.538 -0.971) 3.260 12.284 ( 8.385 22.288 3.217) 24.029 12.819 ( -8.066 8.878 6.731) 13.754 12.873 ( 8.305 21.727 -15.988) 28.225 13.405 ( -6.768 13.043 -9.361) 17.423 13.575 ( -0.982 20.025 10.255) 22.520 13.805 ( -7.220 7.725 -0.121) 10.574 14.063 ( -0.614 2.028 0.771) 2.254 14.085 ( -4.880 7.654 0.649) 9.100 15.076 ( 16.477 -0.927 2.166) 16.644 15.277 ( 23.330 -6.047 -3.912) 24.416 15.998 ( -17.728 -18.557 6.141) 26.389 16.271 ( -13.140 -26.643 -1.917) 29.769 17.634 ( 0.631 -4.104 2.582) 4.890 17.715 ( -0.657 -6.422 2.558) 6.944 18.043 ( 6.091 -10.688 0.097) 12.303 18.126 ( 2.320 -5.491 -1.281) 6.097 18.206 ( -0.032 -6.715 -0.056) 6.716 18.243 ( 3.511 -7.775 -0.596) 8.551 18.382 ( -2.086 -8.497 0.558) 8.767 18.477 ( -4.112 -17.479 -1.883) 18.054 ======================= Grid point 87 (36/63) ======================= q-point: (-0.50 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -5.182 9.551 7.543) 13.228 1.802 ( 5.182 9.551 7.543) 13.228 2.158 ( -2.965 5.759 0.063) 6.478 2.158 ( 2.965 5.759 0.063) 6.478 2.356 ( -1.659 6.332 1.467) 6.708 2.356 ( 1.659 6.332 1.467) 6.708 2.740 ( -0.798 1.251 -2.044) 2.525 2.740 ( 0.798 1.251 -2.044) 2.525 2.883 ( -4.540 12.352 -1.867) 13.291 2.883 ( 4.540 12.352 -1.867) 13.291 2.996 ( -5.011 6.601 -1.075) 8.357 2.996 ( 5.011 6.601 -1.075) 8.357 3.330 ( -5.467 6.358 0.882) 8.432 3.330 ( 5.467 6.358 0.882) 8.432 3.488 ( -6.545 4.479 -4.781) 9.261 3.488 ( 6.545 4.479 -4.781) 9.261 3.672 ( -4.551 1.176 3.565) 5.899 3.672 ( 4.551 1.176 3.565) 5.899 3.804 ( -6.752 1.199 2.151) 7.187 3.804 ( 6.752 1.199 2.151) 7.187 4.091 ( -3.000 -2.759 1.155) 4.236 4.091 ( 3.000 -2.759 1.155) 4.236 4.426 ( -16.823 -6.497 0.936) 18.058 4.426 ( 16.823 -6.497 0.936) 18.058 4.557 ( -0.747 -1.403 1.569) 2.233 4.557 ( 0.747 -1.403 1.569) 2.233 4.886 ( -4.779 6.797 5.353) 9.884 4.886 ( 4.779 6.797 5.353) 9.884 5.173 ( -4.997 14.291 -4.032) 15.667 5.173 ( 4.997 14.291 -4.032) 15.667 5.307 ( -3.560 1.759 -4.305) 5.857 5.307 ( 3.560 1.759 -4.305) 5.857 5.567 ( -6.445 8.414 -4.678) 11.585 5.567 ( 6.445 8.414 -4.678) 11.585 5.701 ( -2.112 4.409 -7.656) 9.084 5.701 ( 2.112 4.409 -7.656) 9.084 6.189 ( -4.266 8.492 8.640) 12.843 6.189 ( 4.266 8.492 8.640) 12.843 6.514 ( -2.239 -0.211 1.370) 2.633 6.514 ( 2.239 -0.211 1.370) 2.633 7.097 ( -0.231 3.976 3.332) 5.193 7.097 ( 0.231 3.976 3.332) 5.193 7.656 ( -2.035 3.618 -3.426) 5.382 7.656 ( 2.035 3.618 -3.426) 5.382 7.873 ( -2.895 -2.598 5.064) 6.385 7.873 ( 2.895 -2.598 5.064) 6.385 8.132 ( -2.227 -0.596 0.463) 2.351 8.132 ( 2.227 -0.596 0.463) 2.351 8.289 ( -7.159 -3.053 -1.885) 8.008 8.289 ( 7.159 -3.053 -1.885) 8.008 8.514 ( -5.630 -3.632 1.607) 6.890 8.514 ( 5.630 -3.632 1.607) 6.890 8.900 ( -2.555 -2.068 0.442) 3.317 8.900 ( 2.555 -2.068 0.442) 3.317 9.017 ( -4.923 -2.996 -0.777) 5.815 9.017 ( 4.923 -2.996 -0.777) 5.815 9.240 ( -2.598 -4.705 0.156) 5.377 9.240 ( 2.598 -4.705 0.156) 5.377 9.437 ( -2.975 3.408 -2.701) 5.269 9.437 ( 2.975 3.408 -2.701) 5.269 9.790 ( -3.705 0.800 -1.135) 3.956 9.790 ( 3.705 0.800 -1.135) 3.956 10.093 ( -1.326 -4.212 -1.606) 4.699 10.093 ( 1.326 -4.212 -1.606) 4.699 12.538 ( -13.705 18.648 4.164) 23.514 12.538 ( 13.705 18.648 4.164) 23.514 13.157 ( -14.090 14.508 -14.530) 24.902 13.157 ( 14.090 14.508 -14.530) 24.902 13.638 ( -5.915 18.837 8.741) 21.592 13.638 ( 5.915 18.837 8.741) 21.592 14.051 ( -0.160 2.617 0.214) 2.631 14.051 ( 0.160 2.617 0.214) 2.631 15.503 ( -18.717 -8.462 1.954) 20.634 15.503 ( 18.717 -8.462 1.954) 20.634 15.859 ( -20.564 -18.844 -1.456) 27.930 15.859 ( 20.564 -18.844 -1.456) 27.930 17.680 ( -2.355 -6.208 4.117) 7.813 17.680 ( 2.355 -6.208 4.117) 7.813 18.113 ( -2.569 -6.242 -2.081) 7.064 18.113 ( 2.569 -6.242 -2.081) 7.064 18.314 ( -4.314 -9.154 0.054) 10.120 18.314 ( 4.314 -9.154 0.054) 10.120 18.346 ( -6.767 -13.697 -0.709) 15.294 18.346 ( 6.767 -13.697 -0.709) 15.294 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 0.000 5.412 5.113) 7.445 2.133 ( 0.000 -9.089 -2.393) 9.398 2.202 ( 0.000 7.708 4.590) 8.971 2.249 ( 0.000 6.686 2.122) 7.015 2.390 ( 0.000 0.756 3.698) 3.775 2.674 ( 0.000 7.257 -2.467) 7.665 2.702 ( 0.000 0.721 0.980) 1.217 2.751 ( 0.000 3.070 -1.150) 3.279 3.040 ( 0.000 14.585 1.799) 14.695 3.113 ( 0.000 9.244 -2.336) 9.535 3.211 ( 0.000 7.562 2.934) 8.111 3.295 ( 0.000 5.604 3.644) 6.684 3.319 ( 0.000 5.579 -2.818) 6.250 3.370 ( 0.000 12.041 -2.106) 12.224 3.423 ( 0.000 3.732 0.243) 3.740 3.597 ( 0.000 -0.383 -1.576) 1.622 3.674 ( 0.000 2.390 4.353) 4.966 3.681 ( 0.000 0.737 -1.696) 1.849 3.730 ( 0.000 -2.604 2.413) 3.550 3.741 ( 0.000 -0.831 3.957) 4.043 3.960 ( 0.000 -1.672 -0.576) 1.768 3.966 ( 0.000 -4.830 -1.141) 4.963 4.225 ( 0.000 -2.373 0.453) 2.416 4.447 ( 0.000 -8.105 0.064) 8.106 4.462 ( 0.000 -12.776 0.407) 12.782 4.655 ( 0.000 -13.775 -4.566) 14.512 4.655 ( 0.000 -18.235 0.977) 18.261 4.751 ( 0.000 -17.065 -6.085) 18.118 5.122 ( 0.000 13.844 1.640) 13.941 5.368 ( 0.000 19.972 1.298) 20.014 5.638 ( 0.000 10.625 2.112) 10.833 5.659 ( 0.000 -1.505 -7.049) 7.208 5.741 ( 0.000 13.767 2.367) 13.969 5.744 ( 0.000 2.079 -1.982) 2.873 5.897 ( 0.000 9.679 -6.758) 11.805 6.026 ( 0.000 6.776 -1.012) 6.852 6.165 ( 0.000 14.372 1.177) 14.420 6.335 ( 0.000 7.070 -3.943) 8.096 6.583 ( 0.000 8.256 5.041) 9.673 6.606 ( 0.000 5.557 6.255) 8.367 7.346 ( 0.000 4.207 1.832) 4.589 7.444 ( 0.000 6.690 4.836) 8.255 7.489 ( 0.000 -2.187 -0.179) 2.194 7.616 ( 0.000 -3.457 4.035) 5.313 7.632 ( 0.000 7.082 -0.791) 7.126 7.775 ( 0.000 -7.746 1.658) 7.921 7.933 ( 0.000 -2.995 3.456) 4.573 8.077 ( 0.000 1.957 -2.117) 2.883 8.133 ( 0.000 0.257 0.218) 0.337 8.274 ( 0.000 -3.203 -3.160) 4.499 8.486 ( 0.000 -1.668 -4.063) 4.392 8.522 ( 0.000 1.394 -1.316) 1.917 8.778 ( 0.000 -1.834 2.335) 2.969 8.857 ( 0.000 -3.630 1.847) 4.073 8.897 ( 0.000 -4.577 5.838) 7.418 9.048 ( 0.000 -7.961 -1.798) 8.162 9.175 ( 0.000 -2.491 -6.308) 6.782 9.357 ( 0.000 -2.408 -9.405) 9.709 9.494 ( 0.000 3.499 3.769) 5.143 9.585 ( 0.000 3.178 1.170) 3.386 9.724 ( 0.000 0.467 0.104) 0.478 9.865 ( 0.000 -2.341 -3.549) 4.251 9.900 ( 0.000 -10.141 3.490) 10.724 10.053 ( 0.000 -7.231 -0.995) 7.299 12.695 ( 0.000 25.050 1.512) 25.095 13.010 ( 0.000 11.224 -2.221) 11.442 13.272 ( 0.000 16.065 -3.476) 16.436 13.636 ( 0.000 -3.157 -6.413) 7.148 13.895 ( 0.000 12.707 1.421) 12.786 13.997 ( 0.000 13.710 1.209) 13.763 14.127 ( 0.000 6.689 6.424) 9.275 14.396 ( 0.000 6.325 -0.523) 6.346 14.950 ( 0.000 2.330 0.388) 2.362 14.969 ( 0.000 2.022 -0.210) 2.033 15.761 ( 0.000 -23.505 1.862) 23.579 15.821 ( 0.000 -26.619 0.050) 26.619 17.589 ( 0.000 -2.097 -0.619) 2.186 17.638 ( 0.000 -2.655 -1.080) 2.866 17.736 ( 0.000 -6.855 4.706) 8.314 18.025 ( 0.000 -12.398 -3.424) 12.863 18.069 ( 0.000 -1.697 0.299) 1.723 18.100 ( 0.000 -3.501 -0.422) 3.526 18.243 ( 0.000 -7.891 0.432) 7.903 18.257 ( 0.000 -5.812 -0.054) 5.812 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.25 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 2.077 5.686 5.369) 8.092 2.096 ( -6.306 7.919 5.535) 11.538 2.148 ( 1.615 -6.107 -1.566) 6.508 2.267 ( -1.052 3.680 -0.107) 3.829 2.417 ( 2.417 3.737 3.741) 5.814 2.596 ( -4.873 8.824 0.934) 10.123 2.697 ( 0.763 -1.717 1.070) 2.162 2.772 ( -0.807 0.970 1.171) 1.721 3.028 ( 0.565 13.440 -0.949) 13.486 3.152 ( 1.945 11.402 1.446) 11.656 3.246 ( -4.655 6.353 -3.823) 8.755 3.267 ( 2.447 12.398 -1.865) 12.774 3.356 ( 4.193 6.422 -2.361) 8.025 3.374 ( 4.604 7.722 -1.674) 9.145 3.508 ( 4.239 4.816 0.344) 6.425 3.631 ( -1.690 0.176 -0.386) 1.742 3.657 ( 0.387 1.792 1.869) 2.618 3.701 ( 0.820 1.315 4.274) 4.546 3.737 ( -0.658 -1.154 2.833) 3.129 3.825 ( 9.435 -5.900 -0.624) 11.145 3.934 ( -2.797 -3.443 -0.492) 4.463 3.979 ( 1.058 -4.600 -0.517) 4.748 4.117 ( -5.156 -4.384 3.600) 7.666 4.421 ( -2.953 -9.079 -0.968) 9.596 4.429 ( -2.388 -9.483 -0.388) 9.787 4.559 ( -7.849 -16.174 4.276) 18.479 4.695 ( 2.787 -14.757 -2.674) 15.254 4.770 ( 0.545 -16.166 -3.528) 16.555 5.212 ( 6.893 10.973 -1.706) 13.070 5.401 ( 0.933 14.360 -1.388) 14.457 5.536 ( -2.068 13.333 1.091) 13.536 5.629 ( -3.543 6.136 -4.518) 8.403 5.711 ( -0.651 3.015 -2.222) 3.802 5.790 ( -1.626 10.300 -2.848) 10.809 5.858 ( -1.699 7.612 -4.873) 9.196 5.954 ( -4.674 8.786 -2.444) 10.248 6.254 ( 7.215 12.678 4.418) 15.241 6.417 ( 5.008 7.778 -0.756) 9.282 6.550 ( -2.361 7.350 4.601) 8.987 6.607 ( -0.809 5.282 4.665) 7.094 7.248 ( -4.893 4.741 3.476) 7.648 7.297 ( -5.409 7.952 3.118) 10.110 7.646 ( 4.929 -0.759 1.767) 5.291 7.694 ( 3.256 2.735 -0.322) 4.264 7.707 ( 4.277 -2.642 1.933) 5.386 7.830 ( 3.822 -6.206 1.288) 7.402 7.903 ( 1.019 -4.554 4.513) 6.492 8.137 ( 3.791 0.853 -2.286) 4.508 8.151 ( 2.445 0.842 -1.620) 3.051 8.315 ( 3.088 -1.977 -2.587) 4.488 8.421 ( -3.796 -0.739 -2.726) 4.732 8.540 ( -1.114 -0.258 -2.464) 2.716 8.800 ( 1.254 -3.030 -0.168) 3.284 8.872 ( 0.436 -3.228 3.892) 5.075 8.899 ( 1.775 -3.452 3.287) 5.087 8.993 ( -4.487 -7.497 -3.803) 9.529 9.159 ( -1.079 -1.832 -1.898) 2.850 9.341 ( -3.384 -0.242 -2.835) 4.422 9.428 ( -1.874 1.407 0.341) 2.368 9.562 ( -2.476 2.361 0.177) 3.426 9.738 ( 1.082 0.210 -0.041) 1.103 9.831 ( -2.754 -3.976 0.302) 4.846 9.915 ( 1.460 -7.941 -1.204) 8.164 10.024 ( -2.420 -7.092 -1.477) 7.638 12.757 ( 5.360 23.100 2.157) 23.811 13.020 ( -1.301 11.280 2.746) 11.682 13.280 ( 2.482 15.299 -10.354) 18.639 13.574 ( -5.465 0.796 -8.324) 9.990 13.900 ( 1.598 13.968 4.547) 14.776 14.031 ( 1.448 15.374 4.337) 16.039 14.109 ( -0.906 4.623 2.658) 5.409 14.289 ( -7.039 9.877 0.526) 12.140 15.057 ( 9.770 -1.035 1.334) 9.915 15.160 ( 13.512 -5.668 -1.311) 14.711 15.617 ( -10.961 -18.634 2.492) 21.762 15.745 ( -7.962 -24.699 -0.900) 25.966 17.577 ( -0.157 -1.367 0.721) 1.554 17.617 ( -1.052 -2.887 1.644) 3.485 17.824 ( 5.524 -9.703 0.401) 11.173 17.997 ( -2.162 -11.471 -3.130) 12.086 18.086 ( 1.381 -2.926 0.734) 3.317 18.126 ( 2.024 -3.703 -0.921) 4.319 18.217 ( -2.166 -7.082 0.703) 7.439 18.239 ( -1.587 -5.599 -0.103) 5.821 ======================= Grid point 92 (39/63) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -4.831 6.767 5.749) 10.108 1.967 ( 4.831 6.767 5.749) 10.108 2.208 ( -3.434 -0.442 -1.038) 3.615 2.208 ( 3.434 -0.442 -1.038) 3.615 2.493 ( -4.269 6.860 3.019) 8.625 2.493 ( 4.269 6.860 3.019) 8.625 2.732 ( -2.124 -0.886 2.515) 3.409 2.732 ( 2.124 -0.886 2.515) 3.409 3.087 ( -4.423 9.320 -1.334) 10.402 3.087 ( 4.423 9.320 -1.334) 10.402 3.259 ( -2.658 15.666 -3.725) 16.320 3.259 ( 2.658 15.666 -3.725) 16.320 3.458 ( -5.954 6.320 -0.660) 8.708 3.458 ( 5.954 6.320 -0.660) 8.708 3.558 ( -7.042 2.703 -4.650) 8.861 3.558 ( 7.042 2.703 -4.650) 8.861 3.685 ( -1.932 0.655 3.762) 4.280 3.685 ( 1.932 0.655 3.762) 4.280 3.788 ( -6.097 -2.378 2.701) 7.080 3.788 ( 6.097 -2.378 2.701) 7.080 3.987 ( -1.762 -6.248 -1.193) 6.600 3.987 ( 1.762 -6.248 -1.193) 6.600 4.225 ( -13.256 -11.499 3.318) 17.859 4.225 ( 13.256 -11.499 3.318) 17.859 4.426 ( -2.270 -8.402 2.519) 9.060 4.426 ( 2.270 -8.402 2.519) 9.060 4.753 ( -2.010 -15.565 -1.352) 15.753 4.753 ( 2.010 -15.565 -1.352) 15.753 5.347 ( -4.412 9.310 -2.287) 10.553 5.347 ( 4.412 9.310 -2.287) 10.553 5.593 ( -2.548 10.171 -6.047) 12.104 5.593 ( 2.548 10.171 -6.047) 12.104 5.688 ( -2.310 8.663 -2.445) 9.293 5.688 ( 2.310 8.663 -2.445) 9.293 5.877 ( -2.357 8.528 -1.609) 8.993 5.877 ( 2.357 8.528 -1.609) 8.993 6.414 ( -5.903 11.701 5.746) 14.310 6.414 ( 5.903 11.701 5.746) 14.310 6.558 ( -3.272 4.137 1.663) 5.531 6.558 ( 3.272 4.137 1.663) 5.531 7.213 ( -1.606 7.411 3.627) 8.406 7.213 ( 1.606 7.411 3.627) 8.406 7.725 ( -1.030 3.018 -2.056) 3.794 7.725 ( 1.030 3.018 -2.056) 3.794 7.773 ( -4.245 -6.627 5.644) 9.684 7.773 ( 4.245 -6.627 5.644) 9.684 8.070 ( -7.096 -4.481 0.276) 8.398 8.070 ( 7.096 -4.481 0.276) 8.398 8.304 ( -5.649 3.027 -3.382) 7.247 8.304 ( 5.649 3.027 -3.382) 7.247 8.438 ( -6.459 -3.035 -2.024) 7.418 8.438 ( 6.459 -3.035 -2.024) 7.418 8.847 ( -2.990 -2.870 -0.535) 4.178 8.847 ( 2.990 -2.870 -0.535) 4.178 8.930 ( -1.563 -5.388 -1.377) 5.777 8.930 ( 1.563 -5.388 -1.377) 5.777 9.200 ( -5.989 1.089 3.686) 7.116 9.200 ( 5.989 1.089 3.686) 7.116 9.482 ( -4.244 0.215 -1.740) 4.592 9.482 ( 4.244 0.215 -1.740) 4.592 9.772 ( -2.139 -1.900 0.276) 2.874 9.772 ( 2.139 -1.900 0.276) 2.874 9.962 ( -2.722 -7.228 -2.276) 8.052 9.962 ( 2.722 -7.228 -2.276) 8.052 12.908 ( -7.379 17.587 3.768) 19.441 12.908 ( 7.379 17.587 3.768) 19.441 13.414 ( -8.111 8.299 -12.305) 16.914 13.414 ( 8.111 8.299 -12.305) 16.914 13.978 ( -4.687 14.105 8.031) 16.894 13.978 ( 4.687 14.105 8.031) 16.894 14.158 ( -4.519 9.122 -0.274) 10.184 14.158 ( 4.519 9.122 -0.274) 10.184 15.325 ( -12.784 -8.990 1.739) 15.725 15.325 ( 12.784 -8.990 1.739) 15.725 15.490 ( -13.456 -17.257 -1.036) 21.908 15.490 ( 13.456 -17.257 -1.036) 21.908 17.592 ( -1.160 -2.264 1.917) 3.185 17.592 ( 1.160 -2.264 1.917) 3.185 17.931 ( -3.877 -11.571 -2.114) 12.385 17.931 ( 3.877 -11.571 -2.114) 12.385 18.136 ( -2.519 -4.385 0.066) 5.057 18.136 ( 2.519 -4.385 0.066) 5.057 18.195 ( -1.772 -5.066 0.232) 5.372 18.195 ( 1.772 -5.066 0.232) 5.372 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 0.000 1.020 1.108) 1.506 1.975 ( 0.000 -5.759 -0.831) 5.818 2.323 ( 0.000 3.625 6.202) 7.184 2.338 ( 0.000 2.014 5.434) 5.796 2.478 ( 0.000 6.573 4.659) 8.057 2.609 ( 0.000 -5.699 2.740) 6.323 2.797 ( 0.000 2.040 -1.188) 2.361 2.798 ( 0.000 1.471 -0.852) 1.700 3.258 ( 0.000 5.029 -0.190) 5.033 3.303 ( 0.000 6.956 -0.308) 6.963 3.314 ( 0.000 1.867 2.010) 2.743 3.367 ( 0.000 1.113 1.823) 2.136 3.406 ( 0.000 5.477 -3.592) 6.550 3.508 ( 0.000 -2.709 -4.020) 4.848 3.578 ( 0.000 8.890 0.648) 8.913 3.608 ( 0.000 4.759 -0.879) 4.839 3.675 ( 0.000 -1.655 2.118) 2.688 3.682 ( 0.000 -2.163 1.370) 2.560 3.769 ( 0.000 7.851 1.995) 8.101 3.777 ( 0.000 4.319 0.765) 4.386 3.878 ( 0.000 -3.545 -0.556) 3.588 3.996 ( 0.000 1.631 -1.328) 2.103 4.111 ( 0.000 -6.483 -1.602) 6.678 4.245 ( 0.000 -8.922 0.540) 8.938 4.307 ( 0.000 -5.306 -0.285) 5.313 4.367 ( 0.000 -4.108 1.918) 4.533 4.393 ( 0.000 -12.949 -5.275) 13.982 4.430 ( 0.000 -9.849 -0.496) 9.861 5.370 ( 0.000 9.941 -1.666) 10.080 5.513 ( 0.000 -3.708 -3.465) 5.075 5.726 ( 0.000 0.236 3.812) 3.819 5.731 ( 0.000 0.272 3.433) 3.444 5.795 ( 0.000 9.299 -3.893) 10.081 5.889 ( 0.000 1.123 -0.785) 1.370 6.074 ( 0.000 6.666 -5.422) 8.593 6.125 ( 0.000 1.738 -2.217) 2.817 6.396 ( 0.000 7.217 -1.596) 7.392 6.444 ( 0.000 2.296 -2.939) 3.729 6.706 ( 0.000 3.246 5.783) 6.632 6.709 ( 0.000 3.277 4.987) 5.968 7.432 ( 0.000 4.490 0.486) 4.516 7.473 ( 0.000 0.292 0.461) 0.546 7.526 ( 0.000 -0.793 1.729) 1.902 7.579 ( 0.000 -6.770 0.656) 6.802 7.631 ( 0.000 6.765 9.277) 11.482 7.763 ( 0.000 -3.302 8.973) 9.561 7.901 ( 0.000 5.225 0.032) 5.225 8.059 ( 0.000 -7.352 0.861) 7.402 8.134 ( 0.000 3.067 -5.262) 6.091 8.196 ( 0.000 -3.409 -5.633) 6.584 8.572 ( 0.000 7.934 -6.161) 10.046 8.589 ( 0.000 4.487 -2.563) 5.168 8.723 ( 0.000 -3.520 1.768) 3.939 8.775 ( 0.000 -5.234 -0.144) 5.236 8.826 ( 0.000 -1.337 5.587) 5.745 8.875 ( 0.000 -7.206 1.526) 7.366 9.174 ( 0.000 2.570 -5.920) 6.454 9.269 ( 0.000 -5.874 -8.079) 9.988 9.569 ( 0.000 3.696 3.835) 5.326 9.624 ( 0.000 -0.677 3.121) 3.194 9.742 ( 0.000 1.137 -0.137) 1.146 9.790 ( 0.000 1.591 1.245) 2.021 9.796 ( 0.000 -3.858 -2.633) 4.671 9.898 ( 0.000 -7.298 -0.353) 7.306 13.133 ( 0.000 16.496 -2.463) 16.679 13.220 ( 0.000 8.077 -3.080) 8.645 13.429 ( 0.000 -0.407 -0.388) 0.563 13.495 ( 0.000 -8.058 0.768) 8.094 14.184 ( 0.000 11.513 -1.564) 11.619 14.211 ( 0.000 8.674 -1.034) 8.736 14.324 ( 0.000 8.765 4.973) 10.078 14.446 ( 0.000 -2.149 1.744) 2.768 14.987 ( 0.000 1.273 0.411) 1.337 14.996 ( 0.000 0.522 0.111) 0.534 15.361 ( 0.000 -13.126 0.413) 13.132 15.375 ( 0.000 -14.696 0.058) 14.696 17.598 ( 0.000 2.395 -0.674) 2.488 17.604 ( 0.000 -0.500 -0.457) 0.677 17.644 ( 0.000 -1.249 1.885) 2.261 17.769 ( 0.000 -10.940 -1.618) 11.059 18.050 ( 0.000 -0.255 -0.012) 0.256 18.058 ( 0.000 -1.068 -0.256) 1.099 18.162 ( 0.000 -1.303 0.410) 1.366 18.174 ( 0.000 -2.371 0.046) 2.372 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.25 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 4.117 2.401 1.303) 4.941 2.029 ( 4.669 -4.928 -0.842) 6.841 2.232 ( -6.300 5.198 4.788) 9.468 2.296 ( -4.389 -0.905 2.321) 5.047 2.527 ( 3.588 6.294 5.332) 8.995 2.639 ( 2.313 -4.242 3.996) 6.270 2.718 ( -4.555 3.922 1.022) 6.097 2.769 ( -3.229 -1.252 1.500) 3.774 3.262 ( 0.931 6.474 -0.919) 6.605 3.321 ( 1.378 3.069 -2.409) 4.137 3.379 ( 3.629 6.221 0.881) 7.256 3.417 ( 3.869 2.760 -1.754) 5.065 3.460 ( 4.121 6.736 -1.781) 8.095 3.546 ( 2.434 1.226 -2.016) 3.390 3.587 ( 1.088 6.392 -0.327) 6.492 3.655 ( 1.256 2.845 -2.388) 3.921 3.674 ( -0.522 -0.797 0.646) 1.151 3.716 ( 2.502 -1.949 1.650) 3.575 3.746 ( 1.451 -0.070 1.963) 2.442 3.766 ( 0.471 5.550 3.528) 6.593 3.834 ( -3.695 -6.023 -2.167) 7.391 3.964 ( -4.997 -11.045 3.117) 12.517 4.011 ( -3.880 9.162 -1.791) 10.110 4.223 ( -6.333 -9.813 0.972) 11.719 4.285 ( 0.282 -3.173 0.846) 3.296 4.346 ( -1.520 -2.257 1.494) 3.105 4.409 ( 1.428 -14.542 -3.735) 15.082 4.435 ( 0.322 -11.324 -0.548) 11.342 5.416 ( 3.887 8.212 -2.950) 9.553 5.519 ( 0.807 -0.859 -4.726) 4.871 5.650 ( -4.648 1.406 -1.114) 4.982 5.696 ( -3.179 -1.716 -2.481) 4.382 5.836 ( 2.912 9.122 1.167) 9.646 5.917 ( 1.857 1.407 -0.109) 2.332 6.018 ( -4.046 6.160 -3.407) 8.119 6.063 ( -4.312 1.743 -2.039) 5.078 6.469 ( 5.673 7.065 0.628) 9.082 6.520 ( 5.331 1.845 -0.789) 5.696 6.683 ( -2.155 4.237 5.075) 6.954 6.698 ( -1.511 2.545 4.917) 5.739 7.369 ( -1.594 7.135 3.424) 8.073 7.465 ( -2.427 7.458 2.305) 8.175 7.536 ( 0.008 -6.998 4.282) 8.204 7.642 ( 0.914 -7.717 1.980) 8.019 7.695 ( 5.946 3.148 2.969) 7.354 7.783 ( 5.131 -4.705 5.445) 8.838 7.897 ( -0.913 7.222 -0.904) 7.335 8.056 ( -1.482 -7.164 -0.213) 7.319 8.204 ( 6.189 2.693 -4.778) 8.269 8.254 ( 4.912 -2.674 -4.799) 7.369 8.499 ( -4.754 6.343 -4.063) 8.908 8.568 ( -4.502 1.066 -4.646) 6.557 8.738 ( 1.914 -2.015 -0.255) 2.791 8.784 ( 0.823 -5.611 -0.558) 5.698 8.840 ( 1.403 -0.927 3.091) 3.519 8.868 ( -1.521 -3.868 1.630) 4.465 9.179 ( 1.275 3.761 -2.394) 4.638 9.288 ( 2.417 -5.563 -4.979) 7.847 9.471 ( -7.414 3.837 5.185) 9.827 9.559 ( -5.587 -3.342 3.562) 7.421 9.750 ( 0.421 0.742 -0.861) 1.212 9.783 ( -0.465 2.296 -0.063) 2.344 9.805 ( 0.805 -3.733 -2.617) 4.629 9.882 ( -1.528 -6.304 -1.091) 6.577 13.164 ( 2.573 15.746 -1.584) 16.033 13.244 ( 1.337 9.486 -0.986) 9.630 13.410 ( -0.813 -1.702 -3.027) 3.567 13.484 ( -1.384 -7.602 -1.027) 7.795 14.193 ( 1.321 12.303 0.021) 12.373 14.249 ( 2.550 7.456 -0.874) 7.929 14.305 ( -1.477 8.998 4.680) 10.249 14.409 ( -2.949 0.403 1.802) 3.480 15.037 ( 4.433 -0.473 0.538) 4.490 15.061 ( 5.332 -3.331 -0.057) 6.287 15.299 ( -4.993 -10.280 0.614) 11.445 15.329 ( -4.228 -13.804 -0.140) 14.437 17.589 ( 0.018 2.260 0.120) 2.264 17.611 ( -0.253 2.788 0.003) 2.799 17.669 ( 2.035 -5.405 0.375) 5.788 17.755 ( -1.232 -10.339 -1.457) 10.514 18.062 ( 1.158 -0.078 0.126) 1.167 18.076 ( 1.443 -1.453 -0.309) 2.071 18.144 ( -1.539 -1.143 0.442) 1.968 18.158 ( -1.398 -2.390 0.007) 2.769 ======================= Grid point 97 (42/63) ======================= q-point: (-0.50 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -6.558 4.738 2.391) 8.436 2.081 ( 6.558 4.738 2.391) 8.436 2.164 ( -6.686 -3.396 -0.146) 7.500 2.164 ( 6.686 -3.396 -0.146) 7.500 2.617 ( -4.393 5.236 4.011) 7.925 2.617 ( 4.393 5.236 4.011) 7.925 2.698 ( -2.896 -2.715 4.021) 5.650 2.698 ( 2.896 -2.715 4.021) 5.650 3.301 ( -2.575 11.107 -0.653) 11.420 3.301 ( 2.575 11.107 -0.653) 11.420 3.455 ( -2.394 -0.408 -2.764) 3.679 3.455 ( 2.394 -0.408 -2.764) 3.679 3.578 ( -4.120 4.243 -3.990) 7.134 3.578 ( 4.120 4.243 -3.990) 7.134 3.597 ( -1.513 2.098 -2.662) 3.711 3.597 ( 1.513 2.098 -2.662) 3.711 3.712 ( -2.004 0.165 2.518) 3.222 3.712 ( 2.004 0.165 2.518) 3.222 3.750 ( -2.390 -0.545 2.018) 3.176 3.750 ( 2.390 -0.545 2.018) 3.176 3.888 ( -4.394 0.670 0.542) 4.477 3.888 ( 4.394 0.670 0.542) 4.477 4.022 ( -9.275 -8.216 4.015) 13.025 4.022 ( 9.275 -8.216 4.015) 13.025 4.309 ( -1.633 -1.379 0.783) 2.277 4.309 ( 1.633 -1.379 0.783) 2.277 4.434 ( -0.593 -13.384 -1.473) 13.478 4.434 ( 0.593 -13.384 -1.473) 13.478 5.510 ( -3.504 6.622 -3.618) 8.320 5.510 ( 3.504 6.622 -3.618) 8.320 5.612 ( -3.027 -3.222 -6.051) 7.494 5.612 ( 3.027 -3.222 -6.051) 7.494 5.911 ( -3.674 8.160 -0.288) 8.953 5.911 ( 3.674 8.160 -0.288) 8.954 5.981 ( -2.622 1.163 -0.199) 2.875 5.981 ( 2.622 1.163 -0.199) 2.875 6.598 ( -5.118 5.701 3.734) 8.523 6.598 ( 5.118 5.701 3.734) 8.523 6.634 ( -4.136 1.918 2.712) 5.304 6.634 ( 4.136 1.918 2.712) 5.304 7.387 ( -2.913 9.549 4.091) 10.789 7.387 ( 2.913 9.549 4.091) 10.789 7.586 ( -3.440 -9.804 5.071) 11.562 7.586 ( 3.440 -9.804 5.071) 11.562 7.829 ( -5.224 5.794 -0.841) 7.846 7.829 ( 5.224 5.794 -0.841) 7.847 7.958 ( -7.328 -6.483 -0.002) 9.784 7.958 ( 7.328 -6.483 -0.002) 9.784 8.368 ( -6.614 2.813 -4.316) 8.384 8.368 ( 6.614 2.813 -4.316) 8.384 8.405 ( -8.257 -0.947 -4.049) 9.245 8.405 ( 8.257 -0.947 -4.049) 9.245 8.803 ( -3.272 -0.897 -1.101) 3.567 8.803 ( 3.272 -0.897 -1.101) 3.567 8.830 ( -2.395 -3.642 -1.095) 4.494 8.830 ( 2.395 -3.642 -1.095) 4.494 9.275 ( -6.934 5.909 4.003) 9.951 9.275 ( 6.934 5.909 4.003) 9.951 9.413 ( -6.202 -6.579 1.902) 9.239 9.413 ( 6.202 -6.579 1.902) 9.239 9.765 ( -0.969 1.947 -1.115) 2.444 9.765 ( 0.969 1.947 -1.115) 2.444 9.838 ( -2.091 -4.912 -2.255) 5.795 9.838 ( 2.091 -4.912 -2.255) 5.795 13.229 ( -2.676 13.637 0.511) 13.907 13.229 ( 2.676 13.637 0.511) 13.907 13.434 ( -2.632 -5.706 -4.570) 7.770 13.434 ( 2.632 -5.706 -4.570) 7.770 14.241 ( -2.601 11.449 2.018) 11.913 14.241 ( 2.601 11.449 2.018) 11.913 14.334 ( -3.502 4.076 1.562) 5.596 14.334 ( 3.502 4.076 1.562) 5.596 15.164 ( -6.380 -5.257 0.644) 8.291 15.164 ( 6.380 -5.257 0.644) 8.291 15.203 ( -6.566 -9.442 -0.179) 11.502 15.203 ( 6.566 -9.442 -0.179) 11.502 17.598 ( -0.666 3.059 0.371) 3.153 17.598 ( 0.666 3.059 0.371) 3.153 17.717 ( -2.099 -8.603 -0.899) 8.901 17.717 ( 2.099 -8.603 -0.899) 8.901 18.097 ( -1.502 -0.158 0.038) 1.510 18.097 ( 1.502 -0.158 0.038) 1.510 18.120 ( -1.452 -2.412 0.135) 2.818 18.120 ( 1.452 -2.412 0.135) 2.818 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.756 ( 0.000 0.000 20.609) 20.609 1.034 ( 0.000 0.000 24.629) 24.629 1.127 ( 0.000 0.000 -19.879) 19.879 1.276 ( 0.000 0.000 20.061) 20.061 1.435 ( 0.000 0.000 -10.039) 10.039 1.656 ( 0.000 0.000 -15.431) 15.431 2.104 ( 0.000 0.000 2.783) 2.783 2.153 ( 0.000 0.000 -2.531) 2.531 2.207 ( 0.000 0.000 13.673) 13.673 2.523 ( 0.000 0.000 -15.222) 15.222 2.639 ( 0.000 0.000 11.945) 11.945 2.784 ( 0.000 0.000 -1.841) 1.841 2.836 ( 0.000 0.000 6.637) 6.637 2.848 ( 0.000 0.000 -0.966) 0.966 2.870 ( 0.000 0.000 0.612) 0.612 2.873 ( 0.000 0.000 -5.201) 5.201 2.894 ( 0.000 0.000 -1.595) 1.595 2.991 ( 0.000 0.000 -11.199) 11.199 3.125 ( 0.000 0.000 0.650) 0.650 3.153 ( 0.000 0.000 -2.888) 2.888 3.575 ( 0.000 0.000 4.212) 4.212 3.639 ( 0.000 0.000 -2.764) 2.764 3.862 ( 0.000 0.000 3.561) 3.561 3.892 ( 0.000 0.000 1.237) 1.237 4.341 ( 0.000 0.000 -1.098) 1.098 4.366 ( 0.000 0.000 -4.109) 4.109 4.578 ( 0.000 0.000 12.779) 12.779 4.794 ( 0.000 0.000 -5.974) 5.974 4.901 ( 0.000 0.000 4.280) 4.280 4.919 ( 0.000 0.000 -2.138) 2.138 5.382 ( 0.000 0.000 1.840) 1.840 5.518 ( 0.000 0.000 -13.044) 13.044 5.678 ( 0.000 0.000 2.897) 2.897 5.741 ( 0.000 0.000 -4.012) 4.012 6.100 ( 0.000 0.000 7.169) 7.169 6.237 ( 0.000 0.000 -7.094) 7.094 6.432 ( 0.000 0.000 4.560) 4.560 6.454 ( 0.000 0.000 2.422) 2.422 6.853 ( 0.000 0.000 4.869) 4.869 6.861 ( 0.000 0.000 4.067) 4.067 6.936 ( 0.000 0.000 -4.130) 4.130 6.945 ( 0.000 0.000 -4.787) 4.787 7.032 ( 0.000 0.000 3.574) 3.574 7.059 ( 0.000 0.000 0.513) 0.513 7.644 ( 0.000 0.000 4.427) 4.427 7.739 ( 0.000 0.000 -5.778) 5.778 7.762 ( 0.000 0.000 5.832) 5.832 7.888 ( 0.000 0.000 -7.860) 7.860 8.240 ( 0.000 0.000 4.237) 4.237 8.319 ( 0.000 0.000 -4.232) 4.232 8.707 ( 0.000 0.000 6.148) 6.148 8.822 ( 0.000 0.000 -6.005) 6.005 8.925 ( 0.000 0.000 4.775) 4.775 9.003 ( 0.000 0.000 -3.234) 3.234 9.009 ( 0.000 0.000 2.746) 2.746 9.060 ( 0.000 0.000 -3.444) 3.444 9.115 ( 0.000 0.000 2.330) 2.330 9.168 ( 0.000 0.000 -3.184) 3.184 9.389 ( 0.000 0.000 4.101) 4.101 9.461 ( 0.000 0.000 -3.650) 3.650 9.489 ( 0.000 0.000 3.501) 3.501 9.547 ( 0.000 0.000 -2.760) 2.760 9.837 ( 0.000 0.000 -0.001) 0.001 9.838 ( 0.000 0.000 -0.083) 0.083 10.921 ( 0.000 0.000 13.703) 13.703 11.248 ( 0.000 0.000 -21.402) 21.402 12.532 ( 0.000 0.000 4.796) 4.796 12.579 ( 0.000 0.000 -1.006) 1.006 13.176 ( 0.000 0.000 8.614) 8.614 13.329 ( 0.000 0.000 -7.594) 7.594 13.851 ( 0.000 0.000 3.264) 3.264 13.906 ( 0.000 0.000 -2.654) 2.654 14.733 ( 0.000 0.000 1.610) 1.610 14.749 ( 0.000 0.000 -0.142) 0.142 17.872 ( 0.000 0.000 3.285) 3.285 17.929 ( 0.000 0.000 -2.936) 2.936 18.095 ( 0.000 0.000 -0.011) 0.011 18.097 ( 0.000 0.000 -0.386) 0.386 18.642 ( 0.000 0.000 1.802) 1.802 18.679 ( 0.000 0.000 -2.107) 2.107 18.734 ( 0.000 0.000 2.170) 2.170 18.786 ( 0.000 0.000 -3.591) 3.591 19.522 ( 0.000 0.000 4.788) 4.788 19.603 ( 0.000 0.000 -3.887) 3.887 ======================= Grid point 131 (44/63) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 12.670 0.000 14.842) 19.514 0.998 ( 1.634 0.000 22.918) 22.976 1.200 ( 5.300 0.000 -15.921) 16.780 1.438 ( -2.568 0.000 -22.022) 22.172 1.503 ( 8.169 0.000 0.965) 8.226 1.538 ( 2.041 0.000 -1.480) 2.521 1.896 ( -13.770 0.000 4.307) 14.428 1.972 ( -12.580 0.000 -3.867) 13.161 2.352 ( -7.497 0.000 13.988) 15.870 2.474 ( -1.712 0.000 3.561) 3.952 2.636 ( -0.448 0.000 3.947) 3.972 2.718 ( 3.633 0.000 8.013) 8.798 2.805 ( -1.146 0.000 -1.083) 1.577 2.864 ( 17.413 0.000 -9.436) 19.806 2.929 ( 7.940 0.000 0.851) 7.985 2.983 ( 7.345 0.000 -4.805) 8.777 3.136 ( 0.558 0.000 0.637) 0.846 3.164 ( 1.847 0.000 -2.452) 3.069 3.173 ( 12.716 0.000 -2.126) 12.893 3.214 ( 8.158 0.000 -6.314) 10.316 3.537 ( -2.997 0.000 3.581) 4.670 3.591 ( -3.983 0.000 -2.398) 4.649 3.824 ( -2.617 0.000 3.862) 4.665 3.874 ( -0.803 0.000 0.178) 0.823 4.201 ( -21.904 0.000 17.242) 27.876 4.448 ( -4.990 0.000 2.277) 5.485 4.450 ( -3.918 0.000 -1.177) 4.091 4.607 ( -8.667 0.000 -9.438) 12.814 4.671 ( 2.286 0.000 1.918) 2.984 4.856 ( -3.982 0.000 -15.782) 16.277 5.350 ( -19.583 0.000 4.725) 20.145 5.415 ( -17.550 0.000 -2.442) 17.719 5.696 ( 20.069 0.000 7.517) 21.430 5.833 ( 16.200 0.000 -7.626) 17.905 6.199 ( 4.979 0.000 2.283) 5.478 6.232 ( 1.104 0.000 -1.089) 1.551 6.421 ( -2.741 0.000 7.019) 7.535 6.495 ( -1.116 0.000 -0.394) 1.184 6.828 ( -1.332 0.000 2.935) 3.223 6.831 ( -1.539 0.000 2.435) 2.880 6.974 ( 2.271 0.000 -2.354) 3.271 6.983 ( 2.116 0.000 -3.146) 3.791 7.009 ( -1.968 0.000 2.457) 3.148 7.032 ( -2.160 0.000 -0.050) 2.161 7.703 ( 5.303 0.000 3.979) 6.630 7.786 ( 4.369 0.000 -4.948) 6.601 7.994 ( 13.655 0.000 8.146) 15.900 8.112 ( -9.643 0.000 3.647) 10.310 8.175 ( 17.957 0.000 -9.331) 20.236 8.180 ( -10.182 0.000 -3.550) 10.783 8.659 ( -2.978 0.000 6.773) 7.398 8.841 ( -0.951 0.000 -10.243) 10.287 9.017 ( 0.241 0.000 1.052) 1.079 9.029 ( 6.219 0.000 3.147) 6.970 9.057 ( 4.266 0.000 -3.299) 5.393 9.063 ( 2.628 0.000 -0.181) 2.634 9.171 ( 5.248 0.000 -0.536) 5.275 9.185 ( 3.167 0.000 -1.939) 3.713 9.328 ( -5.182 0.000 4.429) 6.817 9.415 ( -4.538 0.000 -4.858) 6.648 9.438 ( -4.456 0.000 3.279) 5.532 9.493 ( -4.684 0.000 -2.671) 5.392 9.840 ( 0.178 0.000 0.007) 0.178 9.841 ( 0.169 0.000 -0.089) 0.191 10.949 ( 2.280 0.000 6.382) 6.777 11.159 ( -6.491 0.000 -15.461) 16.769 12.491 ( -2.639 0.000 4.455) 5.178 12.524 ( -3.454 0.000 0.116) 3.456 13.083 ( -4.196 0.000 4.930) 6.474 13.148 ( -8.642 0.000 -1.419) 8.758 13.861 ( 1.310 0.000 2.415) 2.747 13.904 ( -0.438 0.000 -2.072) 2.118 15.239 ( 37.129 0.000 8.276) 38.040 15.450 ( 44.280 0.000 -16.394) 47.217 17.290 ( -32.684 0.000 7.809) 33.604 17.468 ( -28.752 0.000 -11.504) 30.967 18.314 ( 6.282 0.000 4.473) 7.712 18.369 ( 8.068 0.000 -1.848) 8.277 18.614 ( -1.203 0.000 6.018) 6.137 18.671 ( -1.241 0.000 -0.623) 1.389 18.818 ( 3.788 0.000 -0.216) 3.794 18.844 ( 8.200 0.000 -2.583) 8.597 19.389 ( -5.547 0.000 11.075) 12.387 19.577 ( -5.413 0.000 -9.706) 11.113 ======================= Grid point 132 (45/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -12.345 0.000 0.030) 12.345 1.161 ( 12.345 0.000 0.030) 12.345 1.201 ( -9.164 0.000 1.290) 9.255 1.201 ( 9.164 0.000 1.290) 9.255 1.687 ( -4.268 0.000 -6.262) 7.578 1.687 ( 4.268 0.000 -6.262) 7.578 1.742 ( -4.274 0.000 -2.343) 4.875 1.742 ( 4.274 0.000 -2.343) 4.875 2.210 ( -8.127 0.000 0.602) 8.149 2.210 ( 8.127 0.000 0.602) 8.149 2.773 ( -1.748 0.000 3.052) 3.517 2.773 ( 1.748 0.000 3.052) 3.517 3.047 ( -9.596 0.000 7.305) 12.060 3.047 ( 9.596 0.000 7.305) 12.060 3.048 ( -2.206 0.000 -2.092) 3.040 3.048 ( 2.206 0.000 -2.092) 3.040 3.188 ( -2.194 0.000 0.095) 2.196 3.188 ( 2.194 0.000 0.095) 2.196 3.334 ( -12.621 0.000 8.127) 15.011 3.334 ( 12.621 0.000 8.127) 15.011 3.504 ( -1.954 0.000 0.072) 1.955 3.504 ( 1.954 0.000 0.072) 1.955 3.707 ( -13.424 0.000 -3.570) 13.891 3.707 ( 13.424 0.000 -3.570) 13.891 4.133 ( -13.238 0.000 2.755) 13.521 4.133 ( 13.238 0.000 2.755) 13.521 4.423 ( -6.461 0.000 -8.287) 10.508 4.423 ( 6.461 0.000 -8.287) 10.508 4.926 ( -3.270 0.000 -1.132) 3.461 4.926 ( 3.270 0.000 -1.132) 3.461 5.067 ( -4.683 0.000 -2.557) 5.335 5.067 ( 4.683 0.000 -2.557) 5.335 6.035 ( -4.502 0.000 2.240) 5.029 6.035 ( 4.502 0.000 2.240) 5.029 6.236 ( -1.020 0.000 -0.060) 1.022 6.236 ( 1.020 0.000 -0.060) 1.022 6.403 ( -4.649 0.000 2.579) 5.316 6.403 ( 4.649 0.000 2.579) 5.316 6.813 ( -0.075 0.000 2.182) 2.183 6.813 ( 0.075 0.000 2.182) 2.183 6.988 ( -0.857 0.000 0.013) 0.857 6.988 ( 0.857 0.000 0.013) 0.857 7.006 ( -0.271 0.000 -2.328) 2.344 7.006 ( 0.271 0.000 -2.328) 2.344 7.861 ( -6.567 0.000 2.160) 6.913 7.861 ( 6.567 0.000 2.160) 6.913 7.965 ( -6.133 0.000 -2.449) 6.604 7.965 ( 6.133 0.000 -2.449) 6.604 8.268 ( -8.666 0.000 12.363) 15.098 8.268 ( 8.666 0.000 12.363) 15.098 8.722 ( -7.745 0.000 -11.387) 13.772 8.722 ( 7.745 0.000 -11.387) 13.772 9.089 ( -0.224 0.000 0.487) 0.537 9.089 ( 0.224 0.000 0.487) 0.537 9.114 ( -5.039 0.000 -0.459) 5.060 9.114 ( 5.039 0.000 -0.459) 5.060 9.275 ( -5.732 0.000 -3.173) 6.551 9.275 ( 5.732 0.000 -3.173) 6.551 9.298 ( -6.132 0.000 2.146) 6.496 9.298 ( 6.132 0.000 2.146) 6.496 9.354 ( -6.796 0.000 -2.153) 7.129 9.354 ( 6.796 0.000 -2.153) 7.129 9.842 ( -0.030 0.000 -0.038) 0.049 9.842 ( 0.030 0.000 -0.038) 0.049 11.025 ( -4.852 0.000 -5.078) 7.024 11.025 ( 4.852 0.000 -5.078) 7.024 12.468 ( -0.976 0.000 2.036) 2.258 12.468 ( 0.976 0.000 2.036) 2.258 13.048 ( -1.008 0.000 1.965) 2.209 13.048 ( 1.008 0.000 1.965) 2.209 13.889 ( -1.008 0.000 0.197) 1.027 13.889 ( 1.008 0.000 0.197) 1.027 15.979 ( -15.195 0.000 2.690) 15.431 15.979 ( 15.195 0.000 2.690) 15.431 16.875 ( -13.120 0.000 -9.464) 16.177 16.875 ( 13.120 0.000 -9.464) 16.177 18.397 ( -2.502 0.000 2.638) 3.635 18.397 ( 2.502 0.000 2.638) 3.635 18.634 ( -2.328 0.000 2.693) 3.560 18.634 ( 2.328 0.000 2.693) 3.560 18.920 ( -2.879 0.000 2.923) 4.103 18.920 ( 2.879 0.000 2.923) 4.103 19.410 ( -7.170 0.000 -3.515) 7.985 19.410 ( 7.170 0.000 -3.515) 7.985 ======================= Grid point 135 (46/63) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.000 14.981 19.035) 24.223 1.138 ( 0.000 11.058 18.776) 21.791 1.385 ( 0.000 17.321 -17.193) 24.405 1.464 ( 0.000 11.363 -4.820) 12.343 1.566 ( 0.000 19.621 6.035) 20.528 1.752 ( 0.000 10.895 -10.361) 15.034 2.290 ( 0.000 9.237 14.398) 17.106 2.301 ( 0.000 16.327 2.133) 16.465 2.342 ( 0.000 14.805 -1.829) 14.917 2.576 ( 0.000 4.604 -9.032) 10.138 2.695 ( 0.000 7.369 5.221) 9.031 2.770 ( 0.000 0.385 -1.930) 1.968 2.820 ( 0.000 0.659 2.207) 2.303 2.838 ( 0.000 -1.768 -1.315) 2.203 2.909 ( 0.000 3.724 0.358) 3.741 2.919 ( 0.000 3.519 -0.558) 3.563 3.044 ( 0.000 11.932 -0.244) 11.935 3.130 ( 0.000 13.532 -10.503) 17.130 3.173 ( 0.000 4.783 1.986) 5.179 3.226 ( 0.000 7.120 -4.240) 8.287 3.657 ( 0.000 7.718 4.738) 9.056 3.737 ( 0.000 8.858 -4.018) 9.727 3.896 ( 0.000 3.841 3.774) 5.385 3.928 ( 0.000 3.583 1.597) 3.923 4.336 ( 0.000 0.162 -1.042) 1.055 4.351 ( 0.000 -1.025 -3.335) 3.489 4.585 ( 0.000 1.051 13.165) 13.207 4.805 ( 0.000 1.455 -4.774) 4.991 4.911 ( 0.000 -0.157 -2.179) 2.185 4.917 ( 0.000 1.838 3.211) 3.700 5.352 ( 0.000 -3.855 2.458) 4.572 5.478 ( 0.000 -3.815 -12.357) 12.932 5.484 ( 0.000 -16.116 3.289) 16.448 5.528 ( 0.000 -12.582 -1.658) 12.691 6.026 ( 0.000 -6.492 5.228) 8.335 6.127 ( 0.000 -7.410 -5.090) 8.990 6.364 ( 0.000 -4.318 3.411) 5.503 6.370 ( 0.000 -5.581 3.029) 6.350 6.879 ( 0.000 -3.416 4.819) 5.907 6.926 ( 0.000 6.058 4.037) 7.280 6.936 ( 0.000 -5.991 -1.205) 6.111 7.007 ( 0.000 5.208 -4.509) 6.889 7.123 ( 0.000 9.686 6.660) 11.755 7.251 ( 0.000 13.863 -7.579) 15.799 7.682 ( 0.000 3.564 2.622) 4.425 7.756 ( 0.000 1.318 -5.568) 5.721 7.852 ( 0.000 7.367 6.048) 9.531 7.942 ( 0.000 5.029 -2.942) 5.826 8.358 ( 0.000 3.143 -0.067) 3.144 8.369 ( 0.000 9.410 0.179) 9.412 8.623 ( 0.000 -7.338 2.507) 7.754 8.734 ( 0.000 -6.217 -7.868) 10.028 8.870 ( 0.000 0.641 5.312) 5.350 8.998 ( 0.000 1.948 -6.867) 7.138 9.089 ( 0.000 -2.730 1.347) 3.044 9.120 ( 0.000 -2.376 -1.707) 2.926 9.134 ( 0.000 2.919 2.389) 3.772 9.184 ( 0.000 7.320 -2.221) 7.650 9.421 ( 0.000 2.896 3.850) 4.818 9.469 ( 0.000 1.247 -0.404) 1.310 9.521 ( 0.000 2.546 0.962) 2.722 9.568 ( 0.000 2.098 -3.017) 3.675 9.859 ( 0.000 2.868 0.281) 2.881 9.862 ( 0.000 2.866 0.021) 2.867 11.180 ( 0.000 19.650 3.356) 19.935 11.389 ( 0.000 12.498 -17.718) 21.682 12.646 ( 0.000 10.831 5.904) 12.336 12.728 ( 0.000 12.924 -4.266) 13.610 13.147 ( 0.000 -2.586 9.820) 10.155 13.340 ( 0.000 1.711 -11.519) 11.646 13.869 ( 0.000 1.783 3.227) 3.687 13.923 ( 0.000 1.669 -2.623) 3.109 14.747 ( 0.000 1.332 1.485) 1.994 14.762 ( 0.000 1.253 -0.160) 1.263 17.782 ( 0.000 -9.746 2.462) 10.052 17.809 ( 0.000 -13.185 0.397) 13.191 18.025 ( 0.000 -5.890 -0.072) 5.890 18.025 ( 0.000 -5.806 -0.059) 5.807 18.563 ( 0.000 -7.336 3.510) 8.132 18.617 ( 0.000 -5.891 -2.540) 6.415 18.663 ( 0.000 -6.272 0.635) 6.304 18.681 ( 0.000 -8.793 -1.272) 8.885 19.318 ( 0.000 -15.769 11.729) 19.652 19.475 ( 0.000 -11.708 -6.170) 13.234 ======================= Grid point 136 (47/63) ======================= q-point: ( 0.25 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 5.184 10.113 17.645) 20.987 1.226 ( 8.788 18.608 13.981) 24.879 1.385 ( -1.829 11.186 -13.489) 17.619 1.545 ( 4.432 8.568 -15.508) 18.264 1.647 ( 6.731 15.821 -0.729) 17.208 1.679 ( -1.524 17.648 -4.270) 18.221 2.059 ( -14.776 12.614 3.406) 19.725 2.116 ( -13.161 10.121 -2.420) 16.778 2.455 ( -8.655 11.721 6.574) 15.984 2.505 ( -3.338 4.046 2.731) 5.914 2.652 ( 6.255 4.745 9.131) 12.042 2.801 ( 5.364 4.719 0.082) 7.145 2.881 ( 4.256 4.693 2.746) 6.905 2.950 ( 9.039 7.087 -2.483) 11.752 2.983 ( 9.995 5.374 2.045) 11.531 3.070 ( 8.566 6.932 -5.077) 12.133 3.126 ( 4.899 0.714 -0.463) 4.973 3.165 ( -0.539 4.691 -3.779) 6.048 3.242 ( 6.459 5.906 1.580) 8.893 3.334 ( 7.131 11.082 -8.072) 15.454 3.611 ( -2.081 6.485 2.514) 7.260 3.670 ( -5.153 6.781 -3.452) 9.191 3.883 ( -0.887 6.257 3.917) 7.435 3.929 ( 0.069 5.960 1.105) 6.062 4.228 ( -20.895 3.062 15.896) 26.432 4.433 ( -0.876 -1.250 -1.810) 2.368 4.456 ( -4.924 0.975 4.836) 6.970 4.609 ( -7.224 0.768 -8.395) 11.102 4.674 ( -1.340 0.835 0.460) 1.645 4.858 ( -5.062 0.572 -15.826) 16.625 5.233 ( -14.142 -9.212 5.081) 17.626 5.322 ( -14.512 -7.886 -4.067) 17.009 5.653 ( 18.931 -4.107 7.173) 20.657 5.784 ( 15.231 -4.896 -7.221) 17.553 6.103 ( 5.058 -7.896 3.002) 9.846 6.155 ( 1.680 -6.707 -2.475) 7.344 6.365 ( -1.675 -4.422 5.236) 7.055 6.405 ( 0.146 -6.404 1.069) 6.494 6.850 ( -1.702 -4.479 4.609) 6.649 6.884 ( -1.832 -4.723 2.265) 5.549 6.980 ( 2.064 5.671 -0.325) 6.043 7.021 ( 1.286 4.702 -3.419) 5.954 7.094 ( -2.292 9.663 1.765) 10.086 7.137 ( -5.493 10.467 -2.822) 12.153 7.769 ( 4.930 5.422 3.010) 7.922 7.829 ( 4.797 2.723 -3.403) 6.481 7.990 ( 6.143 0.915 4.266) 7.535 8.027 ( 3.079 -0.827 0.342) 3.207 8.278 ( -3.342 7.580 3.514) 8.998 8.373 ( 2.933 10.606 -1.300) 11.081 8.637 ( -0.096 -3.372 1.299) 3.615 8.772 ( 1.512 -4.384 -8.313) 9.519 8.938 ( 5.819 -3.340 0.957) 6.778 9.001 ( 0.334 -0.289 -4.141) 4.165 9.087 ( -0.817 -1.497 2.667) 3.166 9.126 ( 0.870 -2.443 -1.422) 2.958 9.145 ( 1.374 -1.746 -0.366) 2.251 9.188 ( 1.738 6.701 -2.696) 7.429 9.380 ( -3.054 3.309 3.711) 5.835 9.438 ( -2.256 2.949 -1.141) 3.885 9.479 ( -3.711 2.757 0.266) 4.631 9.526 ( -3.596 2.882 -3.078) 5.541 9.861 ( 0.156 2.815 0.247) 2.830 9.864 ( 0.107 2.842 0.009) 2.844 11.171 ( -0.309 18.548 0.583) 18.560 11.306 ( -5.947 13.659 -12.778) 19.627 12.598 ( -3.512 10.102 5.141) 11.867 12.649 ( -5.054 11.322 -1.342) 12.471 13.057 ( -3.847 -2.120 4.869) 6.558 13.131 ( -9.667 -1.176 -2.490) 10.052 13.881 ( 1.281 1.955 2.266) 3.256 13.922 ( -0.409 1.753 -1.994) 2.686 15.229 ( 35.528 -1.021 7.637) 36.354 15.420 ( 42.168 -2.834 -14.548) 44.697 17.193 ( -32.180 -9.408 8.850) 34.676 17.375 ( -28.856 -9.177 -11.080) 32.244 18.256 ( 7.011 -5.516 4.800) 10.130 18.311 ( 10.922 -6.203 -1.027) 12.602 18.500 ( -3.217 -9.782 7.926) 12.995 18.592 ( -1.720 -7.305 -2.371) 7.870 18.744 ( 4.772 -6.715 0.665) 8.265 18.771 ( 7.488 -6.191 -2.622) 10.063 19.258 ( -2.815 -11.707 10.882) 16.229 19.436 ( -4.563 -12.383 -8.384) 15.635 ======================= Grid point 137 (48/63) ======================= q-point: (-0.50 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -9.269 7.778 2.560) 12.368 1.233 ( 9.269 7.778 2.560) 12.368 1.479 ( -10.919 20.328 0.126) 23.075 1.479 ( 10.919 20.328 0.126) 23.075 1.760 ( -4.339 8.262 -3.730) 10.050 1.760 ( 4.339 8.262 -3.730) 10.050 1.899 ( -3.228 12.274 -5.513) 13.837 1.899 ( 3.228 12.274 -5.513) 13.837 2.301 ( -4.510 9.936 0.909) 10.950 2.301 ( 4.510 9.936 0.909) 10.950 2.846 ( -0.939 5.247 2.664) 5.959 2.846 ( 0.939 5.247 2.664) 5.959 3.071 ( -4.353 3.361 5.352) 7.674 3.071 ( 4.353 3.361 5.352) 7.674 3.128 ( -5.559 5.628 -0.664) 7.938 3.128 ( 5.559 5.628 -0.664) 7.938 3.229 ( -5.694 5.235 0.554) 7.755 3.229 ( 5.694 5.235 0.554) 7.755 3.356 ( -4.893 3.670 4.011) 7.314 3.356 ( 4.893 3.670 4.011) 7.314 3.612 ( -6.448 9.152 5.418) 12.437 3.612 ( 6.448 9.152 5.418) 12.437 3.789 ( -14.124 8.784 -4.518) 17.235 3.789 ( 14.124 8.784 -4.518) 17.235 4.152 ( -12.810 2.295 3.191) 13.400 4.152 ( 12.810 2.295 3.191) 13.400 4.440 ( -5.628 1.811 -8.612) 10.446 4.440 ( 5.628 1.811 -8.612) 10.446 4.906 ( -3.411 -1.560 -1.243) 3.952 4.906 ( 3.411 -1.560 -1.243) 3.952 5.003 ( -6.097 -5.154 -3.035) 8.540 5.003 ( 6.097 -5.154 -3.035) 8.540 5.961 ( -4.059 -7.133 2.088) 8.469 5.961 ( 4.059 -7.133 2.088) 8.469 6.164 ( -0.350 -6.609 -0.487) 6.637 6.164 ( 0.350 -6.609 -0.487) 6.637 6.346 ( -3.237 -4.256 2.409) 5.866 6.346 ( 3.237 -4.256 2.409) 5.866 6.844 ( -1.299 -5.843 3.267) 6.819 6.844 ( 1.299 -5.843 3.267) 6.819 7.030 ( -2.635 11.157 -1.470) 11.557 7.030 ( 2.635 11.157 -1.470) 11.557 7.063 ( -2.224 4.237 -1.723) 5.086 7.063 ( 2.224 4.237 -1.723) 5.086 7.884 ( -3.363 2.118 1.803) 4.364 7.884 ( 3.363 2.118 1.803) 4.364 8.002 ( -2.505 3.141 -1.034) 4.148 8.002 ( 2.505 3.141 -1.034) 4.148 8.351 ( -6.600 7.187 13.061) 16.303 8.351 ( 6.600 7.187 13.061) 16.303 8.708 ( -6.083 -1.554 -10.709) 12.413 8.708 ( 6.083 -1.554 -10.709) 12.413 9.058 ( -3.498 -4.342 -0.368) 5.588 9.058 ( 3.498 -4.342 -0.368) 5.588 9.077 ( -4.174 -2.967 -1.319) 5.288 9.077 ( 4.174 -2.967 -1.319) 5.288 9.199 ( -3.368 0.174 -2.210) 4.032 9.199 ( 3.368 0.174 -2.210) 4.032 9.373 ( -4.339 3.025 2.535) 5.865 9.373 ( 4.339 3.025 2.535) 5.865 9.439 ( -3.034 5.585 -3.526) 7.269 9.439 ( 3.034 5.585 -3.526) 7.269 9.864 ( -0.068 2.837 0.118) 2.840 9.864 ( 0.068 2.837 0.118) 2.840 11.196 ( -3.123 15.899 -5.424) 17.087 11.196 ( 3.123 15.899 -5.424) 17.087 12.567 ( -1.493 8.947 1.722) 9.233 12.567 ( 1.493 8.947 1.722) 9.233 13.025 ( -0.959 -1.650 1.808) 2.629 13.025 ( 0.959 -1.650 1.808) 2.629 13.908 ( -0.953 1.795 0.165) 2.039 13.908 ( 0.953 1.795 0.165) 2.039 15.942 ( -14.455 -3.596 2.401) 15.088 15.942 ( 14.455 -3.596 2.401) 15.088 16.778 ( -13.141 -9.244 -8.031) 17.962 16.778 ( 13.141 -9.244 -8.031) 17.962 18.354 ( -3.176 -4.228 4.148) 6.721 18.354 ( 3.176 -4.228 4.148) 6.721 18.534 ( -3.887 -9.269 1.855) 10.221 18.534 ( 3.887 -9.269 1.855) 10.221 18.846 ( -2.370 -6.591 1.870) 7.250 18.846 ( 2.370 -6.591 1.870) 7.250 19.294 ( -6.288 -10.780 -2.775) 12.785 19.294 ( 6.288 -10.780 -2.775) 12.785 ======================= Grid point 140 (49/63) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 0.000 13.719 17.549) 22.275 1.435 ( 0.000 16.854 10.509) 19.862 1.660 ( 0.000 11.695 -15.227) 19.200 1.669 ( 0.000 10.896 -4.622) 11.836 2.038 ( 0.000 19.814 -2.570) 19.980 2.060 ( 0.000 15.747 -4.328) 16.331 2.540 ( 0.000 6.729 1.525) 6.900 2.547 ( 0.000 5.430 -0.249) 5.436 2.635 ( 0.000 16.374 8.271) 18.345 2.690 ( 0.000 0.655 0.053) 0.657 2.732 ( 0.000 0.829 4.715) 4.788 2.870 ( 0.000 11.399 1.521) 11.500 2.935 ( 0.000 11.758 -4.894) 12.736 2.952 ( 0.000 6.200 -1.052) 6.289 3.010 ( 0.000 7.202 2.205) 7.532 3.074 ( 0.000 14.120 -3.750) 14.609 3.316 ( 0.000 16.809 4.843) 17.493 3.324 ( 0.000 11.504 5.114) 12.590 3.422 ( 0.000 10.296 -3.849) 10.992 3.488 ( 0.000 19.561 -11.724) 22.805 3.871 ( 0.000 13.147 3.927) 13.721 3.927 ( 0.000 9.363 -0.680) 9.388 4.018 ( 0.000 4.355 2.550) 5.046 4.020 ( 0.000 6.515 -1.718) 6.738 4.340 ( 0.000 -0.153 1.221) 1.231 4.395 ( 0.000 6.525 -2.411) 6.957 4.664 ( 0.000 8.794 13.898) 16.447 4.877 ( 0.000 5.955 0.923) 6.026 4.959 ( 0.000 6.476 -8.202) 10.450 4.993 ( 0.000 6.167 -0.307) 6.174 5.148 ( 0.000 -10.941 5.698) 12.336 5.258 ( 0.000 -12.749 -4.921) 13.666 5.348 ( 0.000 -2.036 -2.689) 3.372 5.371 ( 0.000 -6.585 -8.429) 10.697 5.856 ( 0.000 -10.231 3.908) 10.952 5.954 ( 0.000 -9.900 -5.911) 11.530 6.265 ( 0.000 -4.579 3.710) 5.894 6.265 ( 0.000 -5.153 3.389) 6.168 6.757 ( 0.000 -7.295 2.164) 7.609 6.765 ( 0.000 -9.764 1.072) 9.823 7.059 ( 0.000 6.564 3.357) 7.372 7.126 ( 0.000 6.105 -3.742) 7.161 7.297 ( 0.000 6.250 8.510) 10.558 7.452 ( 0.000 6.199 -7.898) 10.040 7.766 ( 0.000 3.723 -0.018) 3.723 7.786 ( 0.000 1.464 -2.497) 2.895 7.986 ( 0.000 4.967 4.234) 6.527 8.040 ( 0.000 3.692 -1.302) 3.914 8.401 ( 0.000 -0.454 6.707) 6.723 8.444 ( 0.000 -8.575 5.253) 10.057 8.561 ( 0.000 7.491 -2.033) 7.762 8.646 ( 0.000 -1.031 -10.098) 10.151 8.948 ( 0.000 5.733 4.933) 7.564 8.997 ( 0.000 -5.363 1.185) 5.492 9.031 ( 0.000 -4.580 -2.877) 5.409 9.106 ( 0.000 6.651 -9.365) 11.487 9.147 ( 0.000 -0.452 6.677) 6.693 9.289 ( 0.000 2.205 -7.528) 7.845 9.460 ( 0.000 0.321 4.413) 4.425 9.508 ( 0.000 2.673 -0.161) 2.678 9.576 ( 0.000 2.183 1.492) 2.644 9.628 ( 0.000 3.546 -3.564) 5.028 9.972 ( 0.000 7.798 0.834) 7.842 9.975 ( 0.000 8.066 0.574) 8.086 11.543 ( 0.000 15.747 1.135) 15.787 11.689 ( 0.000 16.370 -14.114) 21.614 12.911 ( 0.000 11.425 4.577) 12.308 12.979 ( 0.000 9.564 -3.198) 10.084 13.121 ( 0.000 3.773 15.345) 15.802 13.440 ( 0.000 8.934 -20.458) 22.324 13.921 ( 0.000 3.351 2.846) 4.396 13.970 ( 0.000 2.757 -2.268) 3.570 14.784 ( 0.000 2.342 1.197) 2.630 14.798 ( 0.000 2.263 -0.260) 2.278 17.413 ( 0.000 -23.991 7.044) 25.004 17.460 ( 0.000 -21.429 0.231) 21.430 17.897 ( 0.000 -6.134 0.158) 6.136 17.904 ( 0.000 -6.329 -0.809) 6.380 18.396 ( 0.000 -8.071 4.242) 9.118 18.464 ( 0.000 -8.455 -3.179) 9.032 18.482 ( 0.000 -10.592 1.736) 10.734 18.510 ( 0.000 -8.428 -1.343) 8.535 18.996 ( 0.000 -15.558 11.337) 19.250 19.177 ( 0.000 -16.950 -7.924) 18.711 ======================= Grid point 141 (50/63) ======================= q-point: ( 0.25 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 4.192 14.379 14.853) 21.094 1.533 ( 6.121 12.619 1.220) 14.079 1.610 ( -1.882 12.793 -0.201) 12.933 1.746 ( 5.180 11.427 -9.754) 15.892 2.025 ( 0.940 16.745 0.326) 16.774 2.114 ( 3.096 19.174 -8.591) 21.237 2.262 ( -16.195 7.263 1.609) 17.822 2.297 ( -11.428 8.159 -2.046) 14.190 2.662 ( -6.556 9.600 4.669) 12.528 2.742 ( -10.320 11.488 -4.497) 16.084 2.822 ( 6.869 7.173 6.153) 11.683 2.859 ( 6.036 0.483 0.190) 6.058 2.954 ( 9.407 7.475 6.277) 13.556 3.098 ( 11.992 3.581 -5.453) 13.651 3.125 ( 4.141 9.766 2.867) 10.988 3.177 ( 6.287 7.747 -1.360) 10.069 3.285 ( 0.331 14.773 5.123) 15.639 3.377 ( 0.383 13.930 -3.991) 14.495 3.461 ( 8.387 15.364 7.900) 19.204 3.646 ( 4.065 17.254 -8.375) 19.606 3.774 ( 0.555 10.353 -1.292) 10.448 3.812 ( -7.154 7.221 -2.893) 10.569 4.062 ( 4.380 9.654 4.385) 11.472 4.104 ( 0.381 9.263 2.361) 9.567 4.333 ( -9.782 5.073 7.115) 13.117 4.442 ( 1.036 4.965 1.384) 5.258 4.515 ( -6.954 6.816 5.835) 11.352 4.686 ( -8.377 8.310 -5.562) 13.045 4.741 ( -6.494 6.514 -2.216) 9.461 4.899 ( -6.177 3.464 -13.398) 15.154 5.056 ( -7.838 -7.124 3.516) 11.160 5.158 ( -8.425 -6.672 -5.630) 12.133 5.542 ( 14.632 -6.513 5.391) 16.899 5.639 ( 11.680 -9.207 -5.382) 15.816 5.911 ( 4.163 -11.032 2.209) 11.996 5.977 ( 1.308 -10.686 -4.343) 11.609 6.269 ( -0.425 -4.697 3.958) 6.156 6.280 ( 0.351 -5.173 2.860) 5.922 6.720 ( -2.081 -7.422 2.586) 8.130 6.743 ( -1.940 -7.593 0.472) 7.851 7.064 ( 0.214 2.987 2.188) 3.709 7.092 ( -1.442 3.168 -0.804) 3.573 7.306 ( 0.280 9.105 2.267) 9.387 7.377 ( -3.664 10.349 -4.981) 12.056 7.859 ( 4.999 1.071 1.341) 5.286 7.873 ( 5.159 3.489 -0.101) 6.229 8.039 ( 3.023 2.744 2.012) 4.552 8.059 ( 1.063 2.733 -0.058) 2.933 8.394 ( 1.665 2.129 8.211) 8.644 8.502 ( 3.352 -8.500 3.291) 9.711 8.568 ( 1.209 7.699 0.297) 7.799 8.700 ( 2.530 -2.316 -9.101) 9.726 8.945 ( 0.387 3.358 2.513) 4.212 8.994 ( -0.430 -5.265 1.539) 5.502 9.016 ( -1.643 -0.985 -1.937) 2.724 9.083 ( -1.016 1.420 -8.241) 8.424 9.148 ( 1.094 0.082 5.105) 5.221 9.279 ( -0.588 1.843 -7.691) 7.931 9.419 ( -3.152 0.479 4.750) 5.721 9.505 ( -1.795 1.343 -4.216) 4.775 9.536 ( -1.987 4.225 3.131) 5.621 9.601 ( -2.141 4.614 -3.816) 6.359 9.970 ( -0.112 7.339 0.618) 7.366 9.972 ( -0.152 7.400 0.377) 7.412 11.561 ( 1.592 18.793 0.030) 18.861 11.669 ( -1.902 21.016 -11.560) 24.061 12.835 ( -9.900 7.410 6.075) 13.778 12.885 ( -4.169 10.758 0.056) 11.538 13.060 ( -1.705 5.227 3.965) 6.779 13.166 ( -12.672 8.248 -6.861) 16.604 13.934 ( 1.049 3.088 1.932) 3.791 13.969 ( -0.437 2.746 -1.715) 3.267 15.201 ( 31.235 -1.640 6.186) 31.884 15.348 ( 36.534 -3.957 -10.544) 38.230 16.925 ( -29.310 -16.508 10.377) 35.203 17.105 ( -27.341 -17.175 -9.625) 33.692 18.103 ( 9.449 -10.439 4.311) 14.725 18.106 ( 10.396 -11.293 4.615) 16.028 18.322 ( -4.212 -7.073 4.097) 9.195 18.415 ( -2.631 -9.176 -4.709) 10.644 18.580 ( 5.650 -9.053 1.204) 10.739 18.611 ( 6.867 -9.287 -2.394) 11.796 18.973 ( -1.331 -15.468 9.122) 18.007 19.130 ( -4.227 -17.054 -7.511) 19.108 ======================= Grid point 142 (51/63) ======================= q-point: (-0.50 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -6.530 12.989 4.901) 15.342 1.451 ( 6.530 12.989 4.901) 15.342 1.785 ( -7.490 10.914 -4.619) 14.020 1.785 ( 7.490 10.914 -4.619) 14.020 2.007 ( -1.280 11.793 5.588) 13.112 2.007 ( 1.280 11.793 5.588) 13.112 2.181 ( -1.335 15.756 -8.973) 18.181 2.181 ( 1.335 15.756 -8.973) 18.181 2.565 ( -2.074 12.853 -0.341) 13.023 2.565 ( 2.074 12.853 -0.341) 13.023 2.912 ( -0.904 1.025 0.853) 1.611 2.912 ( 0.904 1.025 0.853) 1.611 3.157 ( -4.011 4.597 5.357) 8.119 3.157 ( 4.011 4.597 5.357) 8.119 3.230 ( -2.050 4.878 -0.672) 5.333 3.230 ( 2.050 4.878 -0.672) 5.333 3.450 ( -8.534 14.952 -0.749) 17.232 3.450 ( 8.534 14.952 -0.749) 17.232 3.508 ( -5.748 10.308 0.964) 11.841 3.508 ( 5.748 10.308 0.964) 11.841 3.844 ( -15.268 14.120 12.149) 24.085 3.844 ( 15.268 14.120 12.149) 24.085 4.052 ( -13.743 15.269 -7.062) 21.723 4.052 ( 13.743 15.269 -7.062) 21.723 4.258 ( -10.743 9.061 5.326) 15.029 4.258 ( 10.743 9.061 5.326) 15.029 4.507 ( -2.776 5.125 -9.286) 10.963 4.507 ( 2.776 5.125 -9.286) 10.963 4.877 ( -7.236 -2.007 -0.861) 7.559 4.877 ( 7.236 -2.007 -0.861) 7.559 4.927 ( -10.684 0.906 -4.101) 11.480 4.927 ( 10.684 0.906 -4.101) 11.480 5.760 ( -2.659 -12.327 1.380) 12.685 5.760 ( 2.659 -12.327 1.380) 12.685 5.980 ( -1.284 -11.383 -1.525) 11.556 5.980 ( 1.284 -11.383 -1.525) 11.556 6.263 ( -0.937 -3.443 2.900) 4.599 6.263 ( 0.937 -3.443 2.900) 4.599 6.704 ( -0.890 -6.876 1.208) 7.038 6.704 ( 0.890 -6.876 1.208) 7.038 7.074 ( -0.685 0.733 1.123) 1.506 7.074 ( 0.685 0.733 1.123) 1.506 7.321 ( -1.487 11.812 -2.241) 12.115 7.321 ( 1.487 11.812 -2.241) 12.115 7.932 ( -0.436 2.168 1.805) 2.854 7.932 ( 0.436 2.168 1.805) 2.854 8.065 ( -0.363 2.698 0.617) 2.791 8.065 ( 0.363 2.698 0.617) 2.791 8.483 ( -4.801 2.863 10.512) 11.906 8.483 ( 4.801 2.863 10.512) 11.906 8.659 ( -5.704 -2.145 -5.959) 8.523 8.659 ( 5.704 -2.145 -5.959) 8.523 8.975 ( -1.650 -2.783 0.832) 3.341 8.975 ( 1.650 -2.783 0.832) 3.341 9.033 ( -2.764 -0.704 -3.706) 4.677 9.033 ( 2.764 -0.704 -3.706) 4.677 9.227 ( -4.898 1.024 -3.258) 5.971 9.227 ( 4.898 1.024 -3.258) 5.971 9.407 ( -3.795 -0.189 1.426) 4.059 9.407 ( 3.795 -0.189 1.426) 4.059 9.551 ( -1.935 6.162 -3.018) 7.129 9.551 ( 1.935 6.162 -3.018) 7.129 9.970 ( -0.078 6.857 0.339) 6.866 9.970 ( 0.078 6.857 0.339) 6.866 11.611 ( -2.836 23.922 -4.648) 24.534 11.611 ( 2.836 23.922 -4.648) 24.534 12.749 ( -3.287 5.751 0.301) 6.631 12.749 ( 3.287 5.751 0.301) 6.631 13.053 ( -1.190 7.722 1.921) 8.046 13.053 ( 1.190 7.722 1.921) 8.046 13.955 ( -0.810 2.724 0.117) 2.844 13.955 ( 0.810 2.724 0.117) 2.844 15.841 ( -12.583 -6.174 1.808) 14.133 15.841 ( 12.583 -6.174 1.808) 14.133 16.525 ( -12.740 -15.141 -4.815) 20.365 16.525 ( 12.740 -15.141 -4.815) 20.365 18.213 ( -3.236 -10.433 9.246) 14.311 18.213 ( 3.236 -10.433 9.246) 14.311 18.328 ( -5.480 -8.772 -3.776) 11.011 18.328 ( 5.480 -8.772 -3.776) 11.011 18.684 ( -2.097 -8.945 0.769) 9.219 18.684 ( 2.097 -8.945 0.769) 9.219 19.009 ( -5.290 -16.583 -1.964) 17.517 19.009 ( 5.290 -16.583 -1.964) 17.517 ======================= Grid point 145 (52/63) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 0.000 14.840 13.840) 20.292 1.761 ( 0.000 14.472 -2.092) 14.623 1.896 ( 0.000 11.140 1.802) 11.285 1.927 ( 0.000 14.796 -6.157) 16.026 2.337 ( 0.000 11.696 -1.050) 11.743 2.383 ( 0.000 15.698 -5.388) 16.596 2.594 ( 0.000 -5.476 0.422) 5.492 2.597 ( 0.000 -2.066 0.075) 2.067 2.632 ( 0.000 3.781 -1.006) 3.912 2.651 ( 0.000 1.929 -2.544) 3.193 3.016 ( 0.000 10.718 7.006) 12.805 3.038 ( 0.000 5.369 2.032) 5.740 3.061 ( 0.000 5.552 -0.324) 5.562 3.116 ( 0.000 5.333 -2.240) 5.785 3.239 ( 0.000 12.400 5.048) 13.389 3.366 ( 0.000 12.787 -7.328) 14.738 3.551 ( 0.000 8.293 3.914) 9.170 3.557 ( 0.000 4.958 2.827) 5.707 3.751 ( 0.000 17.614 2.502) 17.791 3.818 ( 0.000 7.343 -3.965) 8.345 4.051 ( 0.000 3.427 4.942) 6.014 4.102 ( 0.000 1.432 -1.628) 2.168 4.203 ( 0.000 22.105 -0.676) 22.115 4.206 ( 0.000 16.111 2.558) 16.313 4.332 ( 0.000 1.018 6.911) 6.986 4.563 ( 0.000 8.188 -12.482) 14.928 4.868 ( 0.000 -8.975 4.532) 10.055 4.929 ( 0.000 3.122 1.091) 3.307 5.051 ( 0.000 7.512 3.075) 8.117 5.154 ( 0.000 12.955 0.415) 12.961 5.200 ( 0.000 6.064 -5.078) 7.909 5.212 ( 0.000 16.762 -11.131) 20.121 5.241 ( 0.000 -0.821 3.459) 3.555 5.305 ( 0.000 -2.628 -3.077) 4.046 5.630 ( 0.000 -10.573 3.801) 11.236 5.746 ( 0.000 -9.298 -7.880) 12.188 6.176 ( 0.000 -3.219 4.495) 5.528 6.200 ( 0.000 -1.602 1.963) 2.534 6.586 ( 0.000 -6.725 3.491) 7.577 6.621 ( 0.000 -5.228 -0.031) 5.228 7.189 ( 0.000 6.469 3.573) 7.390 7.255 ( 0.000 6.823 -3.505) 7.671 7.380 ( 0.000 2.533 7.723) 8.128 7.521 ( 0.000 1.098 -6.808) 6.896 7.796 ( 0.000 -0.836 -0.248) 0.872 7.809 ( 0.000 0.977 -1.978) 2.206 8.059 ( 0.000 2.537 2.500) 3.562 8.086 ( 0.000 0.603 -0.060) 0.606 8.260 ( 0.000 -8.428 4.672) 9.636 8.331 ( 0.000 -4.857 -1.208) 5.005 8.641 ( 0.000 -1.171 1.832) 2.174 8.667 ( 0.000 -0.182 -2.334) 2.341 8.894 ( 0.000 -3.106 2.593) 4.046 8.984 ( 0.000 0.599 -4.188) 4.231 9.042 ( 0.000 2.433 4.504) 5.120 9.117 ( 0.000 -1.649 8.349) 8.510 9.204 ( 0.000 0.254 -9.872) 9.875 9.287 ( 0.000 -1.747 -9.445) 9.605 9.470 ( 0.000 1.499 6.130) 6.311 9.559 ( 0.000 0.441 -3.322) 3.351 9.620 ( 0.000 4.000 3.709) 5.455 9.704 ( 0.000 4.063 -5.171) 6.576 10.120 ( 0.000 4.872 0.630) 4.912 10.124 ( 0.000 5.035 0.304) 5.045 11.864 ( 0.000 17.582 5.889) 18.542 12.051 ( 0.000 19.744 -14.212) 24.327 12.997 ( 0.000 2.437 8.832) 9.162 13.134 ( 0.000 7.480 -5.693) 9.400 13.402 ( 0.000 18.609 12.399) 22.361 13.661 ( 0.000 10.907 -16.239) 19.562 14.004 ( 0.000 5.236 1.303) 5.396 14.029 ( 0.000 3.074 -1.136) 3.277 14.839 ( 0.000 3.005 0.828) 3.117 14.851 ( 0.000 2.891 -0.409) 2.919 16.894 ( 0.000 -26.750 6.924) 27.631 16.959 ( 0.000 -27.243 -0.925) 27.259 17.774 ( 0.000 -6.257 -0.305) 6.264 17.780 ( 0.000 -5.397 -0.603) 5.430 18.249 ( 0.000 -6.884 2.289) 7.255 18.263 ( 0.000 -10.365 5.407) 11.691 18.295 ( 0.000 -8.026 -2.562) 8.425 18.338 ( 0.000 -8.242 -2.926) 8.746 18.692 ( 0.000 -14.402 6.566) 15.828 18.817 ( 0.000 -18.058 -6.502) 19.193 ======================= Grid point 146 (53/63) ======================= q-point: ( 0.25 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 4.177 14.456 11.987) 19.239 1.771 ( -0.069 11.414 -1.970) 11.583 1.898 ( 1.616 14.100 4.289) 14.826 1.984 ( 3.473 11.400 -6.502) 13.576 2.286 ( -4.391 8.565 0.664) 9.647 2.346 ( -7.130 6.657 -3.196) 10.264 2.450 ( -0.929 11.117 -2.604) 11.456 2.463 ( -2.880 9.315 -2.484) 10.061 2.770 ( 1.815 0.439 0.970) 2.104 2.782 ( 2.517 -0.647 -0.059) 2.600 2.909 ( -2.801 4.916 3.390) 6.596 2.975 ( -5.865 6.775 -3.407) 9.587 3.121 ( 4.559 6.023 2.304) 7.898 3.162 ( 7.866 3.479 -1.681) 8.763 3.312 ( 1.972 7.969 3.177) 8.802 3.371 ( -0.781 9.939 -2.556) 10.292 3.565 ( 2.216 9.102 3.919) 10.155 3.605 ( 3.476 7.035 -0.673) 7.875 3.798 ( 1.715 10.896 5.600) 12.370 3.865 ( -3.094 4.770 -0.161) 5.688 4.010 ( -2.958 10.853 0.429) 11.257 4.040 ( 7.203 8.650 -2.914) 11.627 4.263 ( 2.943 10.977 6.213) 12.952 4.293 ( 5.643 17.639 -1.483) 18.579 4.381 ( 2.667 3.293 6.857) 8.061 4.614 ( 2.469 7.370 -10.137) 12.774 4.748 ( -10.994 5.556 5.174) 13.361 4.853 ( -3.800 1.906 -0.314) 4.263 4.933 ( -12.218 11.829 -6.853) 18.335 4.969 ( -4.413 9.521 -4.165) 11.290 5.056 ( -3.431 12.386 6.348) 14.334 5.207 ( -3.890 12.267 -8.742) 15.558 5.411 ( 7.088 -5.578 0.999) 9.074 5.434 ( 5.821 -9.560 -1.697) 11.321 5.671 ( 2.901 -11.388 1.257) 11.819 5.747 ( -0.228 -10.868 -6.169) 12.499 6.199 ( 1.758 -1.320 4.675) 5.166 6.221 ( 1.313 -0.505 2.390) 2.773 6.578 ( -0.446 -5.680 2.854) 6.372 6.612 ( -0.988 -4.934 -0.420) 5.050 7.128 ( -3.219 3.704 3.074) 5.790 7.158 ( -4.728 3.455 0.069) 5.857 7.447 ( 3.049 5.311 2.090) 6.471 7.524 ( -0.644 4.612 -5.717) 7.374 7.870 ( 5.641 0.187 2.756) 6.281 7.914 ( 5.902 0.797 -1.770) 6.213 8.089 ( 2.096 2.041 2.002) 3.545 8.103 ( 0.681 1.589 0.915) 1.956 8.305 ( 4.634 -9.831 2.800) 11.223 8.351 ( 2.430 -5.357 -0.821) 5.940 8.641 ( -0.281 -1.601 3.362) 3.735 8.680 ( 0.110 -1.815 -1.476) 2.342 8.912 ( 1.428 -1.942 2.596) 3.542 8.986 ( 0.142 -0.026 -3.182) 3.185 9.009 ( -2.095 1.654 5.001) 5.669 9.120 ( -3.532 -2.077 -2.037) 4.576 9.158 ( 1.388 2.432 -1.920) 3.395 9.278 ( -1.315 -1.333 -8.912) 9.106 9.418 ( -3.418 -0.006 4.944) 6.011 9.495 ( -5.483 -1.230 -2.623) 6.201 9.642 ( 1.678 5.337 1.577) 5.812 9.704 ( -0.348 5.112 -4.547) 6.850 10.101 ( -1.293 3.979 0.289) 4.194 10.105 ( -1.349 4.226 -0.023) 4.436 11.948 ( 7.178 20.206 5.540) 22.148 12.119 ( 4.718 23.275 -13.075) 27.110 12.876 ( -9.542 1.962 8.968) 13.241 13.038 ( -9.575 5.921 -8.107) 13.873 13.336 ( -2.040 19.074 7.760) 20.693 13.462 ( -9.764 17.349 -6.543) 20.955 13.999 ( 0.306 3.360 1.605) 3.736 14.026 ( -0.713 2.727 -1.124) 3.034 15.166 ( 25.254 -1.803 4.753) 25.761 15.270 ( 28.942 -3.636 -6.833) 29.959 16.550 ( -23.830 -20.266 9.371) 32.655 16.699 ( -22.236 -22.527 -7.006) 32.419 17.866 ( 7.654 -10.266 5.787) 14.053 17.913 ( 5.579 -9.419 0.900) 10.984 18.194 ( -2.418 -5.817 1.297) 6.432 18.240 ( -1.846 -8.081 -3.571) 9.025 18.390 ( 5.957 -9.554 1.187) 11.321 18.413 ( 5.921 -9.883 -1.303) 11.594 18.661 ( -2.479 -14.796 5.716) 16.054 18.771 ( -4.108 -17.918 -5.836) 19.287 ======================= Grid point 147 (54/63) ======================= q-point: (-0.50 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -3.985 13.013 6.584) 15.119 1.722 ( 3.985 13.013 6.584) 15.119 1.987 ( -4.523 9.042 -3.553) 10.716 1.987 ( 4.523 9.042 -3.553) 10.716 2.221 ( -1.784 10.051 2.412) 10.489 2.221 ( 1.784 10.051 2.412) 10.489 2.458 ( -0.475 11.500 -4.094) 12.216 2.458 ( 0.475 11.500 -4.094) 12.216 2.756 ( -2.104 6.776 -1.587) 7.270 2.756 ( 2.104 6.776 -1.587) 7.270 2.914 ( -0.778 0.063 0.333) 0.849 2.914 ( 0.778 0.063 0.333) 0.849 3.251 ( -4.832 4.696 2.539) 7.201 3.251 ( 4.832 4.696 2.539) 7.201 3.329 ( -4.095 4.599 -1.844) 6.428 3.329 ( 4.095 4.599 -1.844) 6.428 3.674 ( -6.394 5.911 2.782) 9.142 3.674 ( 6.394 5.911 2.782) 9.142 3.726 ( -5.566 9.036 -0.811) 10.644 3.726 ( 5.566 9.036 -0.811) 10.644 4.117 ( -6.680 7.199 5.723) 11.367 4.117 ( 6.680 7.199 5.723) 11.367 4.365 ( -5.804 17.990 -0.739) 18.918 4.365 ( 5.804 17.990 -0.739) 18.918 4.463 ( -9.584 5.617 5.139) 12.239 4.463 ( 9.584 5.617 5.139) 12.239 4.676 ( -6.457 13.946 -9.969) 18.318 4.676 ( 6.457 13.946 -9.969) 18.318 4.893 ( -5.122 6.283 4.242) 9.149 4.893 ( 5.122 6.283 4.242) 9.149 5.082 ( -6.151 12.182 -6.691) 15.199 5.082 ( 6.151 12.182 -6.691) 15.199 5.498 ( -0.443 -11.443 0.059) 11.451 5.498 ( 0.443 -11.443 0.059) 11.451 5.725 ( -1.762 -12.811 -2.772) 13.226 5.725 ( 1.762 -12.811 -2.772) 13.226 6.231 ( -0.666 0.985 3.934) 4.110 6.231 ( 0.666 0.985 3.934) 4.110 6.584 ( -1.095 -4.768 0.509) 4.919 6.584 ( 1.095 -4.768 0.509) 4.919 7.098 ( -0.679 1.989 2.006) 2.905 7.098 ( 0.679 1.989 2.006) 2.905 7.496 ( -1.657 5.965 -2.475) 6.667 7.496 ( 1.657 5.965 -2.475) 6.667 7.965 ( -1.806 1.120 2.546) 3.317 7.965 ( 1.806 1.120 2.546) 3.317 8.109 ( -0.432 1.839 0.262) 1.907 8.109 ( 0.432 1.839 0.262) 1.907 8.406 ( -1.175 -7.881 0.908) 8.020 8.406 ( 1.175 -7.881 0.908) 8.020 8.641 ( -2.003 -2.236 2.540) 3.932 8.641 ( 2.003 -2.236 2.540) 3.932 8.953 ( -2.168 0.157 2.156) 3.062 8.953 ( 2.168 0.157 2.156) 3.062 9.027 ( -3.055 -0.983 -2.336) 3.970 9.027 ( 3.055 -0.983 -2.336) 3.970 9.237 ( -3.168 0.291 -4.673) 5.654 9.237 ( 3.168 0.291 -4.673) 5.654 9.382 ( -2.134 -1.286 0.619) 2.568 9.382 ( 2.134 -1.286 0.619) 2.568 9.681 ( -1.611 5.947 -1.992) 6.476 9.681 ( 1.611 5.947 -1.992) 6.476 10.085 ( -0.109 3.159 -0.217) 3.169 10.085 ( 0.109 3.159 -0.217) 3.169 12.126 ( -6.163 26.248 -1.239) 26.990 12.126 ( 6.163 26.248 -1.239) 26.990 12.802 ( -6.505 2.571 -2.921) 7.580 12.802 ( 6.505 2.571 -2.921) 7.580 13.347 ( -2.348 18.686 2.439) 18.990 13.347 ( 2.348 18.686 2.439) 18.990 14.010 ( -0.614 2.502 0.144) 2.581 14.010 ( 0.614 2.502 0.144) 2.581 15.700 ( -10.399 -7.588 1.394) 12.948 15.700 ( 10.399 -7.588 1.394) 12.948 16.192 ( -11.316 -17.362 -2.145) 20.835 16.192 ( 11.316 -17.362 -2.145) 20.835 17.972 ( -0.678 -11.935 6.177) 13.456 17.972 ( 0.678 -11.935 6.177) 13.456 18.188 ( -2.001 -5.981 -2.803) 6.901 18.188 ( 2.001 -5.981 -2.803) 6.901 18.498 ( -2.136 -9.156 0.440) 9.412 18.498 ( 2.136 -9.156 0.440) 9.412 18.655 ( -4.658 -17.752 -1.479) 18.412 18.655 ( 4.658 -17.752 -1.479) 18.412 ======================= Grid point 150 (55/63) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 0.000 11.869 11.128) 16.270 2.023 ( 0.000 11.278 -5.785) 12.675 2.104 ( 0.000 9.121 3.801) 9.881 2.170 ( 0.000 5.582 -4.743) 7.325 2.460 ( 0.000 3.638 2.155) 4.228 2.473 ( 0.000 -3.370 0.610) 3.425 2.647 ( 0.000 5.836 -0.847) 5.897 2.650 ( 0.000 5.624 -1.397) 5.795 2.766 ( 0.000 11.299 -1.265) 11.370 2.789 ( 0.000 14.266 -3.950) 14.802 3.148 ( 0.000 5.833 2.718) 6.435 3.172 ( 0.000 6.404 1.500) 6.577 3.189 ( 0.000 7.130 0.357) 7.139 3.211 ( 0.000 4.674 0.125) 4.676 3.400 ( 0.000 3.724 4.820) 6.092 3.525 ( 0.000 2.846 -7.572) 8.089 3.636 ( 0.000 3.307 3.452) 4.781 3.669 ( 0.000 4.190 1.247) 4.371 3.830 ( 0.000 -2.625 1.527) 3.037 3.864 ( 0.000 -1.458 -0.255) 1.480 4.056 ( 0.000 -3.980 3.643) 5.395 4.067 ( 0.000 -4.147 1.220) 4.323 4.304 ( 0.000 -0.140 10.257) 10.258 4.585 ( 0.000 -0.559 -16.290) 16.300 4.622 ( 0.000 -2.520 0.510) 2.571 4.644 ( 0.000 -0.610 -2.454) 2.529 4.776 ( 0.000 16.029 4.058) 16.534 4.847 ( 0.000 5.546 -3.909) 6.785 5.092 ( 0.000 -6.013 3.668) 7.043 5.129 ( 0.000 -8.134 -1.022) 8.198 5.362 ( 0.000 5.372 0.023) 5.372 5.434 ( 0.000 7.840 -6.763) 10.354 5.462 ( 0.000 20.363 6.511) 21.379 5.602 ( 0.000 17.740 -7.633) 19.312 5.635 ( 0.000 11.270 0.966) 11.311 5.676 ( 0.000 5.150 -4.160) 6.620 6.144 ( 0.000 0.474 5.363) 5.384 6.199 ( 0.000 1.705 -0.914) 1.935 6.541 ( 0.000 2.731 4.171) 4.985 6.581 ( 0.000 1.800 0.040) 1.801 7.325 ( 0.000 6.630 4.817) 8.195 7.405 ( 0.000 7.773 -3.861) 8.679 7.422 ( 0.000 2.418 5.565) 6.067 7.516 ( 0.000 -0.764 -3.852) 3.927 7.754 ( 0.000 -2.727 3.102) 4.130 7.834 ( 0.000 1.222 -5.611) 5.743 8.005 ( 0.000 -7.497 3.940) 8.469 8.082 ( 0.000 -0.606 -2.828) 2.893 8.185 ( 0.000 0.464 6.257) 6.274 8.264 ( 0.000 -0.658 -2.833) 2.908 8.546 ( 0.000 -6.423 0.032) 6.423 8.566 ( 0.000 -8.515 -2.061) 8.761 8.890 ( 0.000 0.628 7.039) 7.067 8.995 ( 0.000 -1.792 4.313) 4.670 9.045 ( 0.000 -1.051 -6.223) 6.311 9.069 ( 0.000 -3.198 4.304) 5.362 9.148 ( 0.000 -4.192 -4.095) 5.860 9.241 ( 0.000 -2.707 -8.874) 9.278 9.504 ( 0.000 1.767 3.613) 4.022 9.549 ( 0.000 0.072 -0.897) 0.900 9.706 ( 0.000 3.264 2.103) 3.883 9.778 ( 0.000 2.538 -5.266) 5.846 10.119 ( 0.000 -4.894 1.413) 5.094 10.142 ( 0.000 -3.245 -0.992) 3.393 12.282 ( 0.000 23.292 7.890) 24.592 12.481 ( 0.000 21.990 -13.587) 25.849 13.107 ( 0.000 8.745 11.188) 14.200 13.314 ( 0.000 10.044 -10.625) 14.621 13.756 ( 0.000 14.928 5.037) 15.755 13.821 ( 0.000 4.931 -2.575) 5.563 14.105 ( 0.000 5.250 2.568) 5.845 14.160 ( 0.000 10.095 -3.370) 10.643 14.902 ( 0.000 3.076 0.520) 3.120 14.911 ( 0.000 2.938 -0.447) 2.972 16.343 ( 0.000 -27.596 4.091) 27.898 16.386 ( 0.000 -28.827 -0.912) 28.842 17.661 ( 0.000 -4.758 0.554) 4.790 17.681 ( 0.000 -4.255 -1.419) 4.486 18.044 ( 0.000 -10.643 6.877) 12.672 18.141 ( 0.000 -7.818 -3.518) 8.573 18.143 ( 0.000 -4.333 1.626) 4.628 18.184 ( 0.000 -6.635 -2.835) 7.215 18.430 ( 0.000 -11.084 1.891) 11.244 18.474 ( 0.000 -14.985 -2.805) 15.246 ======================= Grid point 151 (56/63) ======================= q-point: ( 0.25 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 2.702 10.590 10.108) 14.887 1.994 ( -1.801 10.324 0.893) 10.518 2.124 ( 0.660 7.746 -0.563) 7.795 2.154 ( -1.139 3.577 -4.619) 5.952 2.410 ( -2.108 5.293 3.320) 6.594 2.442 ( -1.989 4.559 0.589) 5.009 2.654 ( -0.068 7.969 -1.264) 8.069 2.683 ( 0.824 7.605 -3.088) 8.249 2.798 ( 3.548 7.996 1.573) 8.888 2.857 ( 4.452 8.683 -4.163) 10.609 3.032 ( -7.393 7.618 3.689) 11.238 3.094 ( -7.242 5.609 -2.863) 9.597 3.224 ( 4.139 5.098 0.869) 6.624 3.244 ( 5.964 4.530 -1.145) 7.576 3.438 ( 0.184 4.707 3.630) 5.947 3.521 ( -2.847 4.788 -4.636) 7.247 3.674 ( 2.740 2.836 2.815) 4.845 3.699 ( 3.231 3.115 0.374) 4.504 3.848 ( -2.585 -1.416 3.619) 4.667 3.894 ( 1.809 -2.016 -1.844) 3.276 4.036 ( 0.035 -3.711 1.301) 3.933 4.061 ( 2.536 -4.282 -1.606) 5.229 4.349 ( 3.378 -2.811 14.029) 14.702 4.549 ( -5.998 -4.636 -4.832) 8.990 4.594 ( -0.927 -3.092 1.400) 3.519 4.720 ( 7.486 4.315 -11.902) 14.707 4.772 ( 0.788 10.922 5.809) 12.396 4.889 ( 3.209 2.179 -6.867) 7.886 5.110 ( 0.285 2.600 6.579) 7.080 5.148 ( 0.038 -0.707 2.154) 2.268 5.296 ( -5.520 5.733 -1.425) 8.085 5.330 ( -6.601 13.013 -3.499) 15.005 5.488 ( 1.184 12.107 -2.089) 12.343 5.511 ( -2.773 10.077 -5.315) 11.726 5.618 ( -3.250 8.421 -1.535) 9.156 5.648 ( -2.165 7.415 -3.524) 8.491 6.222 ( 5.662 3.541 5.796) 8.843 6.273 ( 4.816 5.288 0.251) 7.157 6.526 ( -1.085 1.284 3.467) 3.853 6.568 ( -1.375 1.295 -0.635) 1.993 7.220 ( -5.036 5.419 3.191) 8.056 7.234 ( -6.309 4.208 1.929) 7.825 7.546 ( 3.652 5.044 -0.006) 6.227 7.588 ( 1.518 2.447 -4.104) 5.013 7.861 ( 7.613 -1.399 4.240) 8.826 7.928 ( 6.361 0.901 -2.306) 6.826 8.057 ( 4.758 -8.027 2.697) 9.714 8.115 ( 2.438 -1.180 -2.222) 3.503 8.164 ( -0.337 -1.044 5.495) 5.603 8.262 ( -0.126 -1.536 -4.827) 5.067 8.538 ( -0.529 -7.376 2.307) 7.747 8.580 ( 0.069 -6.972 -2.007) 7.256 8.895 ( 0.289 -1.692 4.796) 5.094 8.981 ( -1.183 -0.960 -0.186) 1.535 9.012 ( -2.898 -1.591 2.817) 4.344 9.036 ( -2.170 -5.386 -1.998) 6.141 9.179 ( 2.051 -0.754 -1.562) 2.686 9.246 ( 1.127 -1.324 -7.599) 7.796 9.432 ( -4.999 1.564 3.850) 6.500 9.489 ( -4.755 1.263 -2.065) 5.336 9.728 ( 1.701 2.715 1.603) 3.582 9.785 ( 0.170 2.418 -4.249) 4.892 10.089 ( -2.093 -5.121 0.837) 5.595 10.110 ( -2.456 -3.708 -1.274) 4.627 12.386 ( 8.999 22.716 8.267) 25.794 12.590 ( 8.954 22.305 -13.918) 27.774 12.986 ( -10.114 9.365 10.946) 17.601 13.201 ( -10.191 10.044 -12.107) 18.743 13.724 ( -0.728 17.814 5.698) 18.718 13.790 ( -2.206 13.931 -1.872) 14.228 14.079 ( -1.667 3.869 0.911) 4.311 14.090 ( -3.367 5.892 -0.204) 6.789 15.129 ( 18.310 -1.818 3.529) 18.735 15.200 ( 20.703 -3.351 -4.197) 21.389 16.118 ( -17.024 -22.185 6.282) 28.661 16.215 ( -15.384 -24.835 -4.226) 29.518 17.697 ( 3.428 -6.548 3.640) 8.239 17.741 ( 2.757 -7.307 -0.532) 7.828 18.058 ( 0.405 -9.007 1.668) 9.169 18.095 ( -1.319 -6.073 -2.043) 6.542 18.210 ( 3.524 -7.498 0.524) 8.301 18.226 ( 4.167 -8.404 -1.124) 9.448 18.400 ( -2.635 -10.607 1.471) 11.028 18.435 ( -3.427 -14.280 -2.340) 14.870 ======================= Grid point 152 (57/63) ======================= q-point: (-0.50 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -2.448 8.993 6.790) 11.531 1.950 ( 2.448 8.993 6.790) 11.531 2.131 ( -0.696 4.683 -2.714) 5.457 2.131 ( 0.696 4.683 -2.714) 5.457 2.404 ( -1.219 8.009 2.973) 8.629 2.404 ( 1.219 8.009 2.973) 8.629 2.667 ( -1.428 8.591 -4.205) 9.671 2.667 ( 1.428 8.591 -4.205) 9.671 2.896 ( -5.060 7.215 2.798) 9.246 2.896 ( 5.060 7.215 2.798) 9.246 2.957 ( -4.819 6.527 -3.118) 8.692 2.957 ( 4.819 6.527 -3.118) 8.692 3.347 ( -5.118 4.761 0.696) 7.025 3.347 ( 5.118 4.761 0.696) 7.025 3.415 ( -5.929 4.007 -2.478) 7.573 3.415 ( 5.929 4.007 -2.478) 7.573 3.743 ( -3.359 1.609 3.242) 4.937 3.743 ( 3.359 1.609 3.242) 4.937 3.819 ( -4.618 1.087 -0.405) 4.761 3.819 ( 4.618 1.087 -0.405) 4.761 4.105 ( -1.802 -5.287 0.350) 5.596 4.105 ( 1.802 -5.287 0.350) 5.596 4.418 ( -4.588 -6.328 -0.937) 7.872 4.418 ( 4.588 -6.328 -0.937) 7.872 4.672 ( -6.314 3.731 9.535) 12.029 4.672 ( 6.314 3.731 9.535) 12.029 4.920 ( -4.612 -1.371 -6.477) 8.069 4.920 ( 4.612 -1.371 -6.477) 8.069 5.106 ( -3.362 13.215 2.723) 13.906 5.106 ( 3.362 13.215 2.723) 13.906 5.217 ( -1.949 8.660 -5.592) 10.491 5.217 ( 1.949 8.660 -5.592) 10.491 5.523 ( -4.440 3.678 -0.499) 5.787 5.523 ( 4.440 3.678 -0.499) 5.787 5.574 ( -4.049 9.621 -4.718) 11.455 5.574 ( 4.049 9.621 -4.718) 11.455 6.322 ( -1.800 7.941 4.630) 9.367 6.322 ( 1.800 7.941 4.630) 9.367 6.525 ( -1.695 -0.607 -0.158) 1.807 6.525 ( 1.695 -0.607 -0.158) 1.807 7.163 ( -0.174 4.530 2.773) 5.314 7.163 ( 0.174 4.530 2.773) 5.314 7.590 ( -0.870 3.982 -2.697) 4.887 7.590 ( 0.870 3.982 -2.697) 4.887 7.977 ( -2.380 -0.180 4.865) 5.418 7.977 ( 2.380 -0.180 4.865) 5.418 8.131 ( -0.549 -1.220 -0.820) 1.569 8.131 ( 0.549 -1.220 -0.820) 1.569 8.246 ( -3.529 -5.579 -1.955) 6.885 8.246 ( 3.529 -5.579 -1.955) 6.885 8.543 ( -2.175 -6.714 1.075) 7.139 8.543 ( 2.175 -6.714 1.075) 7.139 8.925 ( -3.042 -3.652 2.211) 5.242 8.925 ( 3.042 -3.652 2.211) 5.242 8.989 ( -1.861 -2.696 -2.198) 3.945 8.989 ( 1.861 -2.696 -2.198) 3.945 9.242 ( -3.181 0.491 0.073) 3.220 9.242 ( 3.181 0.491 0.073) 3.220 9.389 ( -2.859 2.028 -1.811) 3.946 9.389 ( 2.859 2.028 -1.811) 3.946 9.769 ( -1.631 2.490 -0.846) 3.095 9.769 ( 1.631 2.490 -0.846) 3.095 10.066 ( -0.666 -4.937 -0.896) 5.061 10.066 ( 0.666 -4.937 -0.896) 5.061 12.637 ( -11.390 23.084 5.583) 26.340 12.637 ( 11.390 23.084 5.583) 26.340 12.924 ( -11.761 10.172 -9.479) 18.211 12.924 ( 11.761 10.172 -9.479) 18.211 13.745 ( -1.881 19.900 2.927) 20.202 13.745 ( 1.881 19.900 2.927) 20.202 14.055 ( -0.087 2.151 0.124) 2.156 14.055 ( 0.087 2.151 0.124) 2.156 15.538 ( -8.548 -8.441 1.338) 12.087 15.538 ( 8.548 -8.441 1.338) 12.087 15.832 ( -9.231 -18.149 -1.034) 20.388 15.832 ( 9.231 -18.149 -1.034) 20.388 17.759 ( -1.281 -8.756 3.277) 9.437 17.759 ( 1.281 -8.756 3.277) 9.437 18.068 ( -1.000 -6.502 -2.085) 6.901 18.068 ( 1.000 -6.502 -2.085) 6.901 18.317 ( -3.576 -11.816 0.310) 12.349 18.317 ( 3.576 -11.816 0.310) 12.349 18.332 ( -4.414 -9.787 -0.670) 10.757 18.332 ( 4.414 -9.787 -0.670) 10.757 ======================= Grid point 155 (58/63) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.000 -0.301 5.909) 5.916 2.071 ( 0.000 -5.946 -4.359) 7.373 2.280 ( 0.000 9.067 2.838) 9.501 2.289 ( 0.000 9.289 1.587) 9.424 2.487 ( 0.000 4.360 6.504) 7.830 2.601 ( 0.000 6.750 -5.416) 8.654 2.710 ( 0.000 1.867 0.091) 1.869 2.723 ( 0.000 2.844 -1.472) 3.203 3.071 ( 0.000 15.352 1.085) 15.390 3.085 ( 0.000 12.241 -0.880) 12.273 3.284 ( 0.000 7.738 3.828) 8.633 3.309 ( 0.000 4.866 1.788) 5.184 3.324 ( 0.000 7.559 -0.730) 7.594 3.339 ( 0.000 9.236 -1.184) 9.312 3.425 ( 0.000 0.364 1.594) 1.635 3.515 ( 0.000 -2.902 -6.541) 7.155 3.682 ( 0.000 0.858 2.067) 2.238 3.727 ( 0.000 0.670 -1.505) 1.648 3.778 ( 0.000 -0.852 4.672) 4.750 3.825 ( 0.000 -0.937 1.723) 1.961 3.956 ( 0.000 -4.417 0.996) 4.528 3.964 ( 0.000 -5.284 0.679) 5.327 4.262 ( 0.000 -4.147 5.301) 6.731 4.448 ( 0.000 -8.328 -9.333) 12.508 4.453 ( 0.000 -8.725 0.551) 8.742 4.471 ( 0.000 -11.522 -5.318) 12.690 4.673 ( 0.000 -17.606 0.870) 17.627 4.688 ( 0.000 -16.513 -1.072) 16.547 5.231 ( 0.000 10.075 9.334) 13.735 5.407 ( 0.000 20.267 -3.475) 20.563 5.484 ( 0.000 1.877 -2.256) 2.935 5.600 ( 0.000 15.577 -7.128) 17.130 5.764 ( 0.000 2.169 1.396) 2.579 5.784 ( 0.000 4.007 -0.781) 4.083 5.820 ( 0.000 11.585 3.419) 12.079 5.926 ( 0.000 10.862 -6.850) 12.841 6.242 ( 0.000 8.964 4.432) 10.000 6.295 ( 0.000 7.444 -1.657) 7.626 6.660 ( 0.000 7.254 2.776) 7.767 6.675 ( 0.000 6.125 1.311) 6.264 7.409 ( 0.000 2.256 4.227) 4.791 7.471 ( 0.000 -0.335 -2.153) 2.179 7.531 ( 0.000 7.122 4.639) 8.499 7.601 ( 0.000 7.663 -2.752) 8.142 7.701 ( 0.000 -1.642 4.875) 5.145 7.786 ( 0.000 -5.094 -3.024) 5.924 7.938 ( 0.000 1.320 2.722) 3.025 8.053 ( 0.000 -1.399 -7.600) 7.728 8.177 ( 0.000 -2.957 10.088) 10.512 8.307 ( 0.000 2.788 4.372) 5.185 8.374 ( 0.000 -8.415 -6.646) 10.723 8.450 ( 0.000 -1.341 -6.279) 6.420 8.858 ( 0.000 -4.033 5.695) 6.978 8.910 ( 0.000 -5.668 2.676) 6.268 8.995 ( 0.000 -4.202 -3.159) 5.257 8.999 ( 0.000 -3.708 2.788) 4.639 9.074 ( 0.000 -2.142 -1.635) 2.695 9.181 ( 0.000 -2.985 -9.062) 9.541 9.555 ( 0.000 3.346 2.632) 4.257 9.586 ( 0.000 3.269 -0.819) 3.370 9.739 ( 0.000 0.304 1.729) 1.756 9.792 ( 0.000 -1.071 -3.892) 4.036 9.967 ( 0.000 -8.648 3.541) 9.344 10.022 ( 0.000 -7.562 -2.397) 7.933 12.755 ( 0.000 21.954 5.358) 22.599 12.890 ( 0.000 17.298 -8.788) 19.402 13.321 ( 0.000 10.552 7.464) 12.925 13.484 ( 0.000 4.764 -9.458) 10.590 13.934 ( 0.000 8.666 2.594) 9.046 13.980 ( 0.000 8.863 -2.204) 9.133 14.267 ( 0.000 9.693 7.169) 12.056 14.364 ( 0.000 8.658 -3.362) 9.288 14.958 ( 0.000 2.371 0.398) 2.405 14.964 ( 0.000 2.220 -0.304) 2.240 15.797 ( 0.000 -25.661 1.714) 25.718 15.818 ( 0.000 -26.621 -0.574) 26.627 17.590 ( 0.000 -1.954 0.801) 2.112 17.613 ( 0.000 -2.339 -1.483) 2.770 17.836 ( 0.000 -9.465 5.929) 11.169 17.942 ( 0.000 -11.442 -5.406) 12.654 18.077 ( 0.000 -2.192 0.578) 2.267 18.089 ( 0.000 -2.944 -0.696) 3.025 18.251 ( 0.000 -6.912 0.342) 6.921 18.255 ( 0.000 -6.185 -0.158) 6.187 ======================= Grid point 156 (59/63) ======================= q-point: ( 0.25 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 2.305 0.753 5.973) 6.447 2.094 ( 1.885 -3.578 -3.982) 5.676 2.205 ( -4.933 6.998 4.838) 9.834 2.259 ( -3.280 5.381 -1.248) 6.424 2.506 ( 1.767 6.057 5.434) 8.327 2.587 ( -0.693 7.400 -2.640) 7.887 2.727 ( 2.012 1.467 2.671) 3.652 2.775 ( 1.911 2.392 -1.580) 3.446 3.040 ( -1.591 12.851 2.717) 13.231 3.119 ( 0.718 12.493 -5.049) 13.493 3.214 ( -5.163 8.345 1.225) 9.889 3.239 ( -1.556 11.493 -1.296) 11.670 3.337 ( 3.374 5.972 0.048) 6.859 3.349 ( 3.112 6.283 -1.012) 7.084 3.516 ( 2.318 3.121 1.524) 4.176 3.576 ( -0.510 0.981 -4.431) 4.567 3.703 ( 2.518 0.104 2.564) 3.595 3.742 ( 1.529 0.681 -0.717) 1.821 3.810 ( -1.366 -1.580 3.622) 4.181 3.828 ( 3.413 -2.831 1.452) 4.666 3.931 ( -1.522 -5.998 -0.085) 6.188 3.953 ( 0.548 -4.802 -2.101) 5.270 4.244 ( -0.535 -7.045 9.997) 12.241 4.386 ( -5.308 -8.806 -3.653) 10.912 4.438 ( 0.476 -8.431 2.056) 8.691 4.558 ( 6.266 -12.453 -10.923) 17.710 4.645 ( -3.089 -16.272 4.395) 17.136 4.708 ( 0.830 -16.350 -2.672) 16.587 5.263 ( 2.739 9.358 7.167) 12.101 5.426 ( -2.035 13.389 3.813) 14.070 5.439 ( -0.512 5.946 -10.315) 11.918 5.528 ( -5.487 8.548 -5.426) 11.516 5.691 ( -2.920 10.269 0.239) 10.678 5.718 ( -3.946 10.146 -3.412) 11.409 5.845 ( 0.330 9.892 2.092) 10.116 5.895 ( -2.007 10.362 -3.255) 11.045 6.348 ( 7.857 8.441 4.640) 12.430 6.403 ( 7.552 7.057 -1.410) 10.432 6.628 ( -2.845 7.393 3.326) 8.591 6.657 ( -2.113 6.190 0.470) 6.558 7.324 ( -4.232 5.178 3.902) 7.742 7.350 ( -4.720 6.821 1.509) 8.431 7.651 ( 2.455 4.272 -0.198) 4.931 7.667 ( 2.337 6.728 -1.850) 7.359 7.787 ( 6.957 -6.315 5.091) 10.686 7.852 ( 6.762 -8.763 -0.772) 11.096 7.965 ( 1.514 0.148 3.190) 3.534 8.071 ( 1.063 -1.749 -6.918) 7.214 8.161 ( 1.074 -0.847 6.693) 6.831 8.300 ( -2.255 3.733 -5.058) 6.679 8.365 ( 0.881 -8.868 2.565) 9.273 8.465 ( -0.343 -2.973 -5.651) 6.394 8.825 ( -1.248 -4.398 3.071) 5.508 8.902 ( -2.951 -6.659 -4.734) 8.687 8.945 ( -3.087 -3.789 3.143) 5.811 8.959 ( -1.790 -3.199 1.704) 4.042 9.151 ( 4.291 -0.823 1.523) 4.628 9.230 ( 5.121 -0.626 -6.553) 8.340 9.486 ( -5.194 3.499 3.769) 7.310 9.542 ( -3.839 3.407 -2.215) 5.590 9.749 ( 0.959 -0.324 1.561) 1.861 9.796 ( 0.259 -1.069 -3.229) 3.411 9.933 ( -2.387 -8.878 2.619) 9.559 9.984 ( -3.035 -7.540 -2.687) 8.560 12.830 ( 6.436 20.056 6.024) 21.908 12.971 ( 6.760 14.921 -8.393) 18.406 13.234 ( -7.113 12.922 6.177) 15.991 13.395 ( -7.512 7.262 -10.179) 14.587 13.979 ( 4.010 9.537 3.661) 10.974 14.032 ( 4.219 9.664 -2.125) 10.756 14.211 ( -4.438 10.351 5.673) 12.610 14.280 ( -5.972 10.763 -1.885) 12.452 15.089 ( 10.962 -2.178 2.109) 11.374 15.129 ( 12.353 -3.820 -2.057) 13.093 15.670 ( -10.202 -21.397 3.022) 23.897 15.718 ( -9.064 -23.554 -2.084) 25.324 17.602 ( 1.151 -2.657 1.791) 3.405 17.629 ( 0.758 -3.527 -0.632) 3.662 17.854 ( 1.447 -10.042 3.083) 10.603 17.926 ( -1.298 -10.894 -4.328) 11.794 18.098 ( 1.656 -3.169 0.619) 3.629 18.110 ( 1.777 -3.261 -0.753) 3.790 18.229 ( -1.812 -6.354 0.504) 6.627 18.235 ( -1.657 -5.835 -0.248) 6.071 ======================= Grid point 157 (60/63) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -4.214 3.777 5.084) 7.607 2.077 ( 4.214 3.777 5.084) 7.607 2.175 ( -3.423 0.082 -2.460) 4.216 2.175 ( 3.423 0.082 -2.460) 4.216 2.557 ( -2.293 7.298 2.920) 8.188 2.557 ( 2.293 7.298 2.920) 8.188 2.772 ( -1.713 2.019 1.248) 2.927 2.772 ( 1.713 2.019 1.248) 2.927 3.059 ( -3.267 10.437 -1.110) 10.993 3.059 ( 3.267 10.437 -1.110) 10.993 3.202 ( -1.870 14.428 -2.034) 14.690 3.202 ( 1.870 14.428 -2.034) 14.690 3.442 ( -3.680 4.554 -0.852) 5.916 3.442 ( 3.680 4.554 -0.852) 5.916 3.492 ( -4.483 3.562 -1.902) 6.034 3.492 ( 4.483 3.562 -1.902) 6.034 3.756 ( -2.136 -0.015 3.377) 3.996 3.756 ( 2.136 -0.015 3.377) 3.996 3.807 ( -3.224 -1.674 -0.685) 3.696 3.807 ( 3.224 -1.674 -0.685) 3.696 3.972 ( -1.309 -6.839 -0.331) 6.971 3.972 ( 1.309 -6.839 -0.331) 6.971 4.264 ( -3.907 -8.192 0.783) 9.109 4.264 ( 3.907 -8.192 0.783) 9.109 4.529 ( -6.479 -12.071 8.318) 16.027 4.529 ( 6.479 -12.071 8.318) 16.027 4.681 ( -3.759 -15.972 -6.883) 17.793 4.681 ( 3.759 -15.972 -6.883) 17.793 5.340 ( -3.915 8.529 2.610) 9.741 5.340 ( 3.915 8.529 2.610) 9.741 5.447 ( -0.927 6.678 -8.135) 10.566 5.447 ( 0.927 6.678 -8.135) 10.566 5.667 ( -1.106 13.596 -0.334) 13.645 5.667 ( 1.106 13.596 -0.334) 13.645 5.856 ( -1.191 10.961 -0.597) 11.042 5.856 ( 1.191 10.961 -0.597) 11.042 6.514 ( -5.025 9.509 4.143) 11.525 6.514 ( 5.025 9.509 4.143) 11.525 6.572 ( -4.415 5.047 -0.436) 6.720 6.572 ( 4.415 5.047 -0.436) 6.720 7.285 ( -0.798 7.588 3.079) 8.228 7.285 ( 0.798 7.588 3.079) 8.228 7.678 ( -0.639 5.030 -2.181) 5.519 7.678 ( 0.639 5.030 -2.181) 5.519 7.905 ( -3.631 -8.256 7.690) 11.852 7.905 ( 3.631 -8.256 7.690) 11.852 8.045 ( -4.777 -3.770 -3.870) 7.212 8.045 ( 4.777 -3.770 -3.870) 7.212 8.243 ( -3.343 2.484 -2.024) 4.630 8.243 ( 3.343 2.484 -2.024) 4.630 8.404 ( -3.665 -6.038 -1.292) 7.181 8.404 ( 3.665 -6.038 -1.292) 7.181 8.837 ( -2.525 -4.136 -0.315) 4.856 8.837 ( 2.525 -4.136 -0.315) 4.856 8.909 ( -1.506 -4.853 -0.724) 5.132 8.909 ( 1.506 -4.853 -0.724) 5.132 9.272 ( -4.722 2.562 3.232) 6.269 9.272 ( 4.722 2.562 3.232) 6.269 9.439 ( -3.951 2.183 -2.304) 5.068 9.439 ( 3.951 2.183 -2.304) 5.068 9.782 ( -1.708 -0.961 0.657) 2.067 9.782 ( 1.708 -0.961 0.657) 2.067 9.919 ( -1.887 -8.305 -1.820) 8.709 9.919 ( 1.887 -8.305 -1.820) 8.709 13.009 ( -8.414 14.229 7.054) 17.973 13.009 ( 8.414 14.229 7.054) 17.973 13.196 ( -8.912 13.785 -10.579) 19.529 13.196 ( 8.912 13.785 -10.579) 19.529 14.093 ( -5.664 9.171 4.079) 11.526 14.093 ( 5.664 9.171 4.079) 11.526 14.147 ( -5.693 12.342 -1.042) 13.631 14.147 ( 5.693 12.342 -1.042) 13.631 15.360 ( -7.578 -9.172 1.517) 11.994 15.360 ( 7.578 -9.172 1.517) 11.994 15.468 ( -7.814 -17.277 -1.073) 18.992 15.468 ( 7.814 -17.277 -1.073) 18.992 17.629 ( -0.818 -3.947 1.516) 4.307 17.629 ( 0.818 -3.947 1.516) 4.307 17.891 ( -1.752 -10.494 -1.606) 10.760 17.891 ( 1.752 -10.494 -1.606) 10.760 18.137 ( -0.769 -4.406 0.033) 4.473 18.137 ( 0.769 -4.406 0.033) 4.473 18.199 ( -0.555 -5.094 0.120) 5.125 18.199 ( 0.555 -5.094 0.120) 5.125 ======================= Grid point 160 (61/63) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 0.000 -1.547 1.315) 2.030 1.957 ( 0.000 -3.927 -1.113) 4.082 2.434 ( 0.000 4.688 4.263) 6.336 2.437 ( 0.000 4.262 3.836) 5.735 2.584 ( 0.000 4.309 6.146) 7.506 2.647 ( 0.000 -1.440 0.317) 1.474 2.762 ( 0.000 2.205 -2.017) 2.988 2.768 ( 0.000 1.381 -2.101) 2.514 3.250 ( 0.000 4.809 0.026) 4.809 3.274 ( 0.000 4.019 -2.364) 4.662 3.365 ( 0.000 0.849 3.260) 3.368 3.397 ( 0.000 3.092 2.211) 3.801 3.410 ( 0.000 0.221 1.728) 1.742 3.433 ( 0.000 -2.852 -4.074) 4.973 3.566 ( 0.000 11.463 -0.850) 11.495 3.577 ( 0.000 9.750 -1.991) 9.951 3.677 ( 0.000 -1.029 -0.422) 1.112 3.689 ( 0.000 -2.887 -1.029) 3.065 3.836 ( 0.000 1.199 3.935) 4.114 3.836 ( 0.000 6.513 5.024) 8.225 3.878 ( 0.000 -2.795 0.356) 2.818 3.943 ( 0.000 4.999 -4.627) 6.812 4.100 ( 0.000 -12.897 1.978) 13.048 4.198 ( 0.000 -15.181 -6.786) 16.629 4.308 ( 0.000 -4.265 0.151) 4.267 4.313 ( 0.000 -4.243 -1.178) 4.404 4.401 ( 0.000 -5.921 1.588) 6.131 4.421 ( 0.000 -7.480 -0.690) 7.512 5.379 ( 0.000 5.099 2.755) 5.796 5.449 ( 0.000 -2.068 -4.022) 4.522 5.745 ( 0.000 4.680 0.815) 4.750 5.773 ( 0.000 -1.191 0.404) 1.257 5.791 ( 0.000 6.038 2.060) 6.379 5.842 ( 0.000 4.829 -4.330) 6.486 6.003 ( 0.000 5.842 -0.173) 5.844 6.052 ( 0.000 1.609 -4.478) 4.758 6.406 ( 0.000 5.246 1.513) 5.460 6.423 ( 0.000 3.499 -0.359) 3.518 6.775 ( 0.000 3.256 1.931) 3.786 6.776 ( 0.000 3.002 1.820) 3.511 7.460 ( 0.000 2.808 1.778) 3.324 7.478 ( 0.000 0.925 -0.145) 0.937 7.571 ( 0.000 -1.806 2.784) 3.318 7.598 ( 0.000 -4.763 0.354) 4.776 7.786 ( 0.000 8.658 6.681) 10.936 7.861 ( 0.000 9.445 -0.910) 9.489 7.940 ( 0.000 -3.298 3.872) 5.086 8.022 ( 0.000 -3.053 -5.406) 6.209 8.092 ( 0.000 -2.406 3.597) 4.328 8.150 ( 0.000 -8.685 0.574) 8.704 8.450 ( 0.000 6.401 -4.883) 8.051 8.487 ( 0.000 2.774 -6.961) 7.494 8.759 ( 0.000 -4.233 1.836) 4.614 8.779 ( 0.000 -6.210 -0.198) 6.213 8.921 ( 0.000 -1.933 3.254) 3.785 8.928 ( 0.000 -2.449 4.408) 5.043 9.074 ( 0.000 1.624 -3.424) 3.789 9.123 ( 0.000 -2.828 -7.114) 7.656 9.627 ( 0.000 3.131 2.099) 3.770 9.645 ( 0.000 1.493 -0.150) 1.500 9.751 ( 0.000 1.487 0.200) 1.501 9.757 ( 0.000 -1.254 -1.161) 1.709 9.824 ( 0.000 -4.065 2.786) 4.928 9.874 ( 0.000 -6.362 -2.255) 6.750 13.108 ( 0.000 11.440 0.291) 11.444 13.148 ( 0.000 7.286 -3.800) 8.217 13.447 ( 0.000 1.827 2.144) 2.817 13.487 ( 0.000 -2.764 -1.687) 3.238 14.172 ( 0.000 11.510 0.310) 11.514 14.189 ( 0.000 10.114 -1.293) 10.196 14.414 ( 0.000 3.534 4.110) 5.421 14.459 ( 0.000 -0.142 -0.731) 0.745 14.995 ( 0.000 1.191 0.309) 1.231 14.997 ( 0.000 0.956 0.024) 0.956 15.369 ( 0.000 -13.738 0.440) 13.746 15.375 ( 0.000 -14.329 -0.140) 14.330 17.591 ( 0.000 1.929 -0.051) 1.929 17.595 ( 0.000 0.673 -0.436) 0.803 17.684 ( 0.000 -4.783 2.441) 5.369 17.730 ( 0.000 -8.325 -2.486) 8.689 18.051 ( 0.000 -0.545 0.073) 0.550 18.053 ( 0.000 -0.835 -0.214) 0.862 18.170 ( 0.000 -1.658 0.348) 1.694 18.174 ( 0.000 -2.027 -0.093) 2.029 ======================= Grid point 161 (62/63) ======================= q-point: ( 0.25 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 4.538 -0.614 1.526) 4.827 2.011 ( 4.724 -3.201 -1.194) 5.830 2.313 ( -8.289 3.226 3.142) 9.434 2.332 ( -7.448 1.419 0.953) 7.641 2.639 ( 2.926 6.080 5.847) 8.928 2.704 ( 2.166 2.318 -0.010) 3.172 2.739 ( -0.108 0.822 2.983) 3.096 2.785 ( 0.040 -1.332 -0.606) 1.464 3.240 ( 1.147 5.941 -0.626) 6.083 3.263 ( 0.494 3.313 -2.998) 4.495 3.397 ( 3.644 4.954 0.978) 6.227 3.411 ( 2.678 4.611 0.106) 5.333 3.461 ( 0.079 5.335 2.061) 5.720 3.507 ( 1.644 2.862 -2.157) 3.943 3.561 ( -0.199 4.215 -0.836) 4.302 3.598 ( 0.467 2.875 -3.574) 4.611 3.684 ( 1.978 -0.782 0.778) 2.264 3.708 ( 1.845 -2.790 -1.668) 3.738 3.794 ( -1.831 -0.795 2.194) 2.966 3.816 ( -3.511 -3.570 -0.431) 5.026 3.857 ( 1.292 5.164 5.707) 7.804 3.953 ( -0.827 7.033 -4.449) 8.363 4.057 ( -1.085 -11.681 7.255) 13.794 4.193 ( -3.189 -12.520 -5.581) 14.073 4.305 ( 0.545 -3.781 1.052) 3.963 4.331 ( 2.071 -6.831 -2.675) 7.622 4.385 ( -1.487 -6.346 2.189) 6.875 4.419 ( -0.433 -9.197 -1.340) 9.304 5.398 ( 1.821 4.450 1.430) 5.016 5.450 ( 0.370 -0.868 -3.317) 3.448 5.602 ( -7.281 3.114 -1.800) 8.121 5.628 ( -7.612 0.635 -3.788) 8.526 5.871 ( 2.658 7.324 2.144) 8.081 5.907 ( 1.658 5.022 -1.602) 5.526 5.983 ( -1.205 4.199 0.546) 4.402 6.017 ( -2.307 1.820 -2.601) 3.925 6.500 ( 7.207 4.960 1.917) 8.956 6.518 ( 7.098 3.092 -0.109) 7.743 6.754 ( -2.218 3.808 2.298) 4.970 6.761 ( -1.961 3.002 1.561) 3.911 7.446 ( -0.178 6.992 4.240) 8.179 7.492 ( 0.188 6.971 -0.249) 6.978 7.617 ( 2.612 -8.168 3.951) 9.442 7.659 ( 4.812 -7.746 -0.461) 9.131 7.775 ( 0.033 6.948 5.099) 8.618 7.851 ( -1.078 7.950 -2.300) 8.346 7.919 ( -1.329 -4.788 5.762) 7.609 8.017 ( -1.283 -5.431 -4.520) 7.181 8.146 ( 5.394 0.439 0.552) 5.440 8.195 ( 3.914 -5.372 -2.000) 6.941 8.409 ( -3.536 5.046 -3.108) 6.901 8.457 ( -3.477 0.386 -6.539) 7.416 8.746 ( 0.131 -2.558 1.177) 2.819 8.770 ( -0.132 -5.124 -1.163) 5.256 8.885 ( -3.516 -1.555 1.583) 4.157 8.894 ( -3.293 -2.386 0.692) 4.125 9.165 ( 7.343 1.956 1.009) 7.666 9.208 ( 7.663 -1.758 -3.512) 8.611 9.557 ( -6.110 3.217 3.702) 7.835 9.593 ( -5.055 0.577 -0.090) 5.089 9.741 ( -0.321 0.100 -0.102) 0.352 9.757 ( 0.346 -2.200 -1.971) 2.974 9.797 ( -2.010 -2.532 2.035) 3.820 9.846 ( -2.356 -5.512 -2.723) 6.584 13.153 ( 3.791 10.739 0.852) 11.421 13.196 ( 3.936 6.550 -3.488) 8.400 13.398 ( -3.914 3.012 1.668) 5.212 13.445 ( -3.697 -1.677 -2.849) 4.959 14.205 ( 2.845 11.053 1.191) 11.475 14.229 ( 3.058 9.243 -1.303) 9.823 14.388 ( -2.104 4.414 3.702) 6.133 14.426 ( -2.713 1.647 -0.403) 3.199 15.049 ( 4.686 -1.218 0.642) 4.884 15.058 ( 5.041 -2.340 -0.329) 5.567 15.312 ( -4.753 -11.442 0.768) 12.414 15.324 ( -4.459 -12.795 -0.464) 13.557 17.594 ( 0.443 1.753 0.485) 1.872 17.605 ( 0.465 1.288 -0.570) 1.483 17.686 ( 0.307 -5.848 1.566) 6.062 17.721 ( -0.760 -8.124 -2.071) 8.418 18.065 ( 1.306 -0.487 0.219) 1.411 18.070 ( 1.399 -0.950 -0.303) 1.718 18.152 ( -1.496 -1.642 0.378) 2.253 18.157 ( -1.453 -2.059 -0.135) 2.524 ======================= Grid point 162 (63/63) ======================= q-point: (-0.50 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.98e-04 5.98e-04 5.98e-04 5.98e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -7.051 1.635 2.015) 7.513 2.125 ( 7.051 1.635 2.015) 7.513 2.156 ( -7.012 -1.460 -0.766) 7.203 2.156 ( 7.012 -1.460 -0.766) 7.203 2.691 ( -1.795 5.540 2.828) 6.474 2.691 ( 1.795 5.540 2.828) 6.474 2.769 ( -1.248 -2.093 2.676) 3.619 2.769 ( 1.248 -2.093 2.676) 3.619 3.292 ( -1.648 11.302 -0.168) 11.423 3.292 ( 1.648 11.302 -0.168) 11.423 3.421 ( -1.964 2.905 -0.941) 3.631 3.421 ( 1.964 2.905 -0.941) 3.631 3.511 ( -0.443 2.567 -2.149) 3.377 3.511 ( 0.443 2.567 -2.149) 3.377 3.547 ( -1.783 1.214 -2.342) 3.184 3.547 ( 1.783 1.214 -2.342) 3.184 3.748 ( -2.349 -0.792 1.360) 2.827 3.748 ( 2.349 -0.792 1.360) 2.827 3.763 ( -2.349 -2.164 -0.179) 3.199 3.763 ( 2.349 -2.164 -0.179) 3.199 3.913 ( -2.605 4.116 1.322) 5.047 3.913 ( 2.605 4.116 1.322) 5.047 4.090 ( -4.282 -9.674 2.524) 10.876 4.090 ( 4.282 -9.674 2.524) 10.876 4.334 ( -2.107 -4.765 2.155) 5.638 4.334 ( 2.107 -4.765 2.155) 5.638 4.391 ( -2.121 -10.274 -3.032) 10.920 4.391 ( 2.121 -10.274 -3.032) 10.920 5.459 ( -2.759 3.872 -1.056) 4.870 5.459 ( 2.759 3.872 -1.056) 4.870 5.503 ( -2.243 -0.216 -4.614) 5.135 5.503 ( 2.243 -0.216 -4.614) 5.135 5.908 ( -1.039 8.220 -0.051) 8.285 5.908 ( 1.039 8.220 -0.051) 8.285 5.979 ( -0.939 1.269 -0.046) 1.579 5.979 ( 0.939 1.269 -0.046) 1.579 6.660 ( -6.075 4.389 2.300) 7.840 6.660 ( 6.075 4.389 2.300) 7.840 6.674 ( -5.778 3.085 1.079) 6.639 6.674 ( 5.778 3.085 1.079) 6.639 7.467 ( -1.702 10.250 3.318) 10.908 7.467 ( 1.702 10.250 3.318) 10.908 7.686 ( -2.342 -10.769 4.301) 11.830 7.686 ( 2.342 -10.769 4.301) 11.830 7.809 ( -2.590 6.460 -0.863) 7.013 7.809 ( 2.590 6.460 -0.863) 7.013 7.950 ( -3.973 -6.384 -0.800) 7.562 7.950 ( 3.973 -6.384 -0.800) 7.562 8.293 ( -5.929 2.056 -2.608) 6.796 8.293 ( 5.929 2.056 -2.608) 6.796 8.327 ( -6.761 -1.879 -3.335) 7.770 8.327 ( 6.761 -1.879 -3.335) 7.770 8.784 ( -2.069 -0.674 -0.639) 2.268 8.784 ( 2.069 -0.674 -0.639) 2.268 8.817 ( -1.752 -3.643 -0.382) 4.060 8.817 ( 1.752 -3.643 -0.382) 4.060 9.348 ( -5.295 4.828 3.024) 7.777 9.348 ( 5.294 4.828 3.024) 7.777 9.439 ( -5.229 -2.908 0.547) 6.008 9.439 ( 5.229 -2.908 0.547) 6.008 9.754 ( -1.460 -0.594 0.373) 1.619 9.754 ( 1.460 -0.594 0.373) 1.619 9.788 ( -2.337 -3.951 -2.706) 5.329 9.788 ( 2.337 -3.951 -2.706) 5.329 13.248 ( -3.002 9.237 1.377) 9.809 13.248 ( 3.002 9.237 1.377) 9.809 13.349 ( -3.136 0.464 -3.621) 4.813 13.349 ( 3.136 0.464 -3.621) 4.813 14.269 ( -1.459 9.866 0.815) 10.006 14.269 ( 1.459 9.866 0.815) 10.006 14.363 ( -1.707 3.858 1.123) 4.365 14.363 ( 1.707 3.858 1.123) 4.365 15.178 ( -5.010 -6.967 0.694) 8.609 15.178 ( 5.010 -6.967 0.694) 8.609 15.197 ( -5.078 -7.712 -0.389) 9.242 15.197 ( 5.078 -7.712 -0.389) 9.242 17.606 ( -0.395 1.791 0.325) 1.863 17.606 ( 0.395 1.791 0.325) 1.863 17.701 ( -0.939 -7.462 -0.647) 7.549 17.701 ( 0.939 -7.462 -0.647) 7.549 18.098 ( -0.513 -0.109 0.023) 0.525 18.098 ( 0.513 -0.109 0.023) 0.525 18.123 ( -0.494 -2.500 0.079) 2.550 18.123 ( 0.494 -2.500 0.079) 2.550 =================== 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 3/21840 10.0 1000.821 1084.551 1177.839 0.000 0.000 0.000 3/21840 20.0 308.154 362.889 224.576 0.000 0.000 0.000 3/21840 30.0 125.547 160.096 80.107 0.000 0.000 0.000 3/21840 40.0 66.686 89.625 41.060 0.000 0.000 0.000 3/21840 50.0 42.034 58.581 25.705 0.000 0.000 0.000 3/21840 60.0 29.498 42.121 18.070 0.000 0.000 0.000 3/21840 70.0 22.229 32.279 13.674 0.000 0.000 0.000 3/21840 80.0 17.615 25.893 10.883 0.000 0.000 0.000 3/21840 90.0 14.487 21.492 8.987 0.000 0.000 0.000 3/21840 100.0 12.257 18.313 7.629 0.000 0.000 0.000 3/21840 110.0 10.603 15.930 6.618 0.000 0.000 0.000 3/21840 120.0 9.335 14.087 5.839 0.000 0.000 0.000 3/21840 130.0 8.337 12.625 5.223 0.000 0.000 0.000 3/21840 140.0 7.533 11.440 4.725 0.000 0.000 0.000 3/21840 150.0 6.873 10.462 4.315 0.000 0.000 0.000 3/21840 160.0 6.322 9.641 3.971 0.000 0.000 0.000 3/21840 170.0 5.856 8.943 3.680 0.000 0.000 0.000 3/21840 180.0 5.456 8.342 3.429 0.000 0.000 0.000 3/21840 190.0 5.110 7.820 3.211 0.000 0.000 0.000 3/21840 200.0 4.807 7.362 3.020 0.000 0.000 0.000 3/21840 210.0 4.539 6.956 2.851 0.000 0.000 0.000 3/21840 220.0 4.301 6.594 2.701 0.000 0.000 0.000 3/21840 230.0 4.088 6.270 2.566 0.000 0.000 0.000 3/21840 240.0 3.896 5.977 2.445 0.000 0.000 0.000 3/21840 250.0 3.721 5.711 2.335 0.000 0.000 0.000 3/21840 260.0 3.563 5.469 2.234 0.000 0.000 0.000 3/21840 270.0 3.418 5.247 2.143 0.000 0.000 0.000 3/21840 280.0 3.285 5.043 2.058 0.000 0.000 0.000 3/21840 290.0 3.162 4.855 1.981 0.000 0.000 0.000 3/21840 300.0 3.048 4.681 1.909 0.000 0.000 0.000 3/21840 310.0 2.943 4.520 1.842 0.000 0.000 0.000 3/21840 320.0 2.845 4.369 1.780 0.000 0.000 0.000 3/21840 330.0 2.753 4.229 1.722 0.000 0.000 0.000 3/21840 340.0 2.667 4.097 1.668 0.000 0.000 0.000 3/21840 350.0 2.587 3.974 1.617 0.000 0.000 0.000 3/21840 360.0 2.511 3.858 1.569 0.000 0.000 0.000 3/21840 370.0 2.440 3.748 1.525 0.000 0.000 0.000 3/21840 380.0 2.373 3.645 1.482 0.000 0.000 0.000 3/21840 390.0 2.310 3.548 1.442 0.000 0.000 0.000 3/21840 400.0 2.250 3.456 1.404 0.000 0.000 0.000 3/21840 410.0 2.193 3.368 1.368 0.000 0.000 0.000 3/21840 420.0 2.139 3.285 1.334 0.000 0.000 0.000 3/21840 430.0 2.087 3.206 1.302 0.000 0.000 0.000 3/21840 440.0 2.038 3.131 1.271 0.000 0.000 0.000 3/21840 450.0 1.992 3.059 1.242 0.000 0.000 0.000 3/21840 460.0 1.947 2.991 1.214 0.000 0.000 0.000 3/21840 470.0 1.904 2.925 1.187 0.000 0.000 0.000 3/21840 480.0 1.864 2.863 1.162 0.000 0.000 0.000 3/21840 490.0 1.825 2.803 1.137 0.000 0.000 0.000 3/21840 500.0 1.787 2.746 1.114 0.000 0.000 0.000 3/21840 510.0 1.752 2.690 1.091 0.000 0.000 0.000 3/21840 520.0 1.717 2.638 1.069 0.000 0.000 0.000 3/21840 530.0 1.684 2.587 1.049 0.000 0.000 0.000 3/21840 540.0 1.652 2.538 1.029 0.000 0.000 0.000 3/21840 550.0 1.622 2.491 1.010 0.000 0.000 0.000 3/21840 560.0 1.592 2.446 0.991 0.000 0.000 0.000 3/21840 570.0 1.564 2.402 0.973 0.000 0.000 0.000 3/21840 580.0 1.536 2.360 0.956 0.000 0.000 0.000 3/21840 590.0 1.510 2.319 0.940 0.000 0.000 0.000 3/21840 600.0 1.484 2.280 0.924 0.000 0.000 0.000 3/21840 610.0 1.460 2.242 0.908 0.000 0.000 0.000 3/21840 620.0 1.436 2.205 0.893 0.000 0.000 0.000 3/21840 630.0 1.413 2.170 0.879 0.000 0.000 0.000 3/21840 640.0 1.390 2.135 0.865 0.000 0.000 0.000 3/21840 650.0 1.369 2.102 0.851 0.000 0.000 0.000 3/21840 660.0 1.348 2.070 0.838 0.000 0.000 0.000 3/21840 670.0 1.327 2.039 0.825 0.000 0.000 0.000 3/21840 680.0 1.307 2.008 0.813 0.000 0.000 0.000 3/21840 690.0 1.288 1.979 0.801 0.000 0.000 0.000 3/21840 700.0 1.270 1.950 0.789 0.000 0.000 0.000 3/21840 710.0 1.252 1.922 0.778 0.000 0.000 0.000 3/21840 720.0 1.234 1.895 0.767 0.000 0.000 0.000 3/21840 730.0 1.217 1.869 0.757 0.000 0.000 0.000 3/21840 740.0 1.200 1.844 0.746 0.000 0.000 0.000 3/21840 750.0 1.184 1.819 0.736 0.000 0.000 0.000 3/21840 760.0 1.169 1.795 0.726 0.000 0.000 0.000 3/21840 770.0 1.153 1.771 0.717 0.000 0.000 0.000 3/21840 780.0 1.138 1.748 0.707 0.000 0.000 0.000 3/21840 790.0 1.124 1.726 0.698 0.000 0.000 0.000 3/21840 800.0 1.110 1.704 0.690 0.000 0.000 0.000 3/21840 810.0 1.096 1.683 0.681 0.000 0.000 0.000 3/21840 820.0 1.082 1.662 0.672 0.000 0.000 0.000 3/21840 830.0 1.069 1.642 0.664 0.000 0.000 0.000 3/21840 840.0 1.056 1.623 0.656 0.000 0.000 0.000 3/21840 850.0 1.044 1.603 0.649 0.000 0.000 0.000 3/21840 860.0 1.032 1.585 0.641 0.000 0.000 0.000 3/21840 870.0 1.020 1.566 0.633 0.000 0.000 0.000 3/21840 880.0 1.008 1.548 0.626 0.000 0.000 0.000 3/21840 890.0 0.997 1.531 0.619 0.000 0.000 0.000 3/21840 900.0 0.986 1.514 0.612 0.000 0.000 0.000 3/21840 910.0 0.975 1.497 0.605 0.000 0.000 0.000 3/21840 920.0 0.964 1.481 0.599 0.000 0.000 0.000 3/21840 930.0 0.954 1.465 0.592 0.000 0.000 0.000 3/21840 940.0 0.943 1.449 0.586 0.000 0.000 0.000 3/21840 950.0 0.933 1.434 0.580 0.000 0.000 0.000 3/21840 960.0 0.924 1.419 0.574 0.000 0.000 0.000 3/21840 970.0 0.914 1.404 0.568 0.000 0.000 0.000 3/21840 980.0 0.905 1.390 0.562 0.000 0.000 0.000 3/21840 990.0 0.896 1.375 0.556 0.000 0.000 0.000 3/21840 1000.0 0.887 1.362 0.550 0.000 0.000 0.000 3/21840 Thermal conductivity related properties were written into "kappa-m4135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:03:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|