----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:45:49]------------------------- 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 11.730107909999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.958192160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.178715869999998 Atomic positions (fractional): *1 Sr 0.74590351628877 0.25000000000000 0.16087404383420 87.620 2 Sr 0.75409648371123 0.75000000000000 0.66087404383420 87.620 3 Sr 0.24590351628877 0.25000000000000 0.33912595616580 87.620 4 Sr 0.25409648371123 0.75000000000000 0.83912595616580 87.620 *5 Dy 0.07652367154371 0.25000000000000 0.10746647507241 162.500 6 Dy 0.42347632845629 0.75000000000000 0.60746647507241 162.500 7 Dy 0.57652367154371 0.25000000000000 0.39253352492759 162.500 8 Dy 0.92347632845629 0.75000000000000 0.89253352492759 162.500 *9 Dy 0.07645891629092 0.25000000000000 0.60233131743786 162.500 10 Dy 0.42354108370908 0.75000000000000 0.10233131743786 162.500 11 Dy 0.57645891629092 0.25000000000000 0.89766868256214 162.500 12 Dy 0.92354108370908 0.75000000000000 0.39766868256214 162.500 *13 S 0.48392776967448 0.25000000000000 0.21674966559909 32.065 14 S 0.01607223032552 0.75000000000000 0.71674966559909 32.065 15 S 0.98392776967448 0.25000000000000 0.28325033440091 32.065 16 S 0.51607223032552 0.75000000000000 0.78325033440091 32.065 *17 S 0.36456942624983 0.25000000000000 0.97682799894190 32.065 18 S 0.13543057375017 0.75000000000000 0.47682799894190 32.065 19 S 0.86456942624983 0.25000000000000 0.52317200105810 32.065 20 S 0.63543057375017 0.75000000000000 0.02317200105810 32.065 *21 S 0.28835984276088 0.25000000000000 0.67804820195629 32.065 22 S 0.21164015723912 0.75000000000000 0.17804820195629 32.065 23 S 0.78835984276088 0.25000000000000 0.82195179804371 32.065 24 S 0.71164015723912 0.75000000000000 0.32195179804371 32.065 *25 S 0.08070139387012 0.25000000000000 0.91826929792081 32.065 26 S 0.41929860612988 0.75000000000000 0.41826929792081 32.065 27 S 0.58070139387012 0.25000000000000 0.58173070207919 32.065 28 S 0.91929860612988 0.75000000000000 0.08173070207919 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.730107909999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.958192160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.178715869999998 Atomic positions (fractional): *1 Sr 0.74590351628877 0.25000000000000 0.16087404383420 87.620 > 1 2 Sr 0.75409648371123 0.75000000000000 0.66087404383420 87.620 > 2 3 Sr 0.24590351628877 0.25000000000000 0.33912595616580 87.620 > 3 4 Sr 0.25409648371123 0.75000000000000 0.83912595616580 87.620 > 4 *5 Dy 0.07652367154371 0.25000000000000 0.10746647507241 162.500 > 5 6 Dy 0.42347632845629 0.75000000000000 0.60746647507241 162.500 > 6 7 Dy 0.57652367154371 0.25000000000000 0.39253352492759 162.500 > 7 8 Dy 0.92347632845629 0.75000000000000 0.89253352492759 162.500 > 8 *9 Dy 0.07645891629092 0.25000000000000 0.60233131743786 162.500 > 9 10 Dy 0.42354108370908 0.75000000000000 0.10233131743786 162.500 > 10 11 Dy 0.57645891629092 0.25000000000000 0.89766868256214 162.500 > 11 12 Dy 0.92354108370908 0.75000000000000 0.39766868256214 162.500 > 12 *13 S 0.48392776967448 0.25000000000000 0.21674966559909 32.065 > 13 14 S 0.01607223032552 0.75000000000000 0.71674966559909 32.065 > 14 15 S 0.98392776967448 0.25000000000000 0.28325033440091 32.065 > 15 16 S 0.51607223032552 0.75000000000000 0.78325033440091 32.065 > 16 *17 S 0.36456942624983 0.25000000000000 0.97682799894190 32.065 > 17 18 S 0.13543057375017 0.75000000000000 0.47682799894190 32.065 > 18 19 S 0.86456942624983 0.25000000000000 0.52317200105810 32.065 > 19 20 S 0.63543057375017 0.75000000000000 0.02317200105810 32.065 > 20 *21 S 0.28835984276088 0.25000000000000 0.67804820195629 32.065 > 21 22 S 0.21164015723912 0.75000000000000 0.17804820195629 32.065 > 22 23 S 0.78835984276088 0.25000000000000 0.82195179804371 32.065 > 23 24 S 0.71164015723912 0.75000000000000 0.32195179804371 32.065 > 24 *25 S 0.08070139387012 0.25000000000000 0.91826929792081 32.065 > 25 26 S 0.41929860612988 0.75000000000000 0.41826929792081 32.065 > 26 27 S 0.58070139387012 0.25000000000000 0.58173070207919 32.065 > 27 28 S 0.91929860612988 0.75000000000000 0.08173070207919 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.730107909999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.874576480000004 0.000000000000000 c 0.000000000000000 0.000000000000000 14.178715869999998 Atomic positions (fractional): *1 Sr 0.74590351628877 0.08333333333333 0.16087404383420 87.620 > 1 2 Sr 0.74590351628877 0.41666666666667 0.16087404383420 87.620 > 1 3 Sr 0.74590351628877 0.75000000000000 0.16087404383420 87.620 > 1 4 Sr 0.75409648371123 0.25000000000000 0.66087404383420 87.620 > 2 5 Sr 0.75409648371123 0.58333333333333 0.66087404383420 87.620 > 2 6 Sr 0.75409648371123 0.91666666666667 0.66087404383420 87.620 > 2 7 Sr 0.24590351628877 0.08333333333333 0.33912595616580 87.620 > 3 8 Sr 0.24590351628877 0.41666666666667 0.33912595616580 87.620 > 3 9 Sr 0.24590351628877 0.75000000000000 0.33912595616580 87.620 > 3 10 Sr 0.25409648371123 0.25000000000000 0.83912595616580 87.620 > 4 11 Sr 0.25409648371123 0.58333333333333 0.83912595616580 87.620 > 4 12 Sr 0.25409648371123 0.91666666666667 0.83912595616580 87.620 > 4 *13 Dy 0.07652367154371 0.08333333333333 0.10746647507241 162.500 > 5 14 Dy 0.07652367154371 0.41666666666667 0.10746647507241 162.500 > 5 15 Dy 0.07652367154371 0.75000000000000 0.10746647507241 162.500 > 5 16 Dy 0.42347632845629 0.25000000000000 0.60746647507241 162.500 > 6 17 Dy 0.42347632845629 0.58333333333333 0.60746647507241 162.500 > 6 18 Dy 0.42347632845629 0.91666666666667 0.60746647507241 162.500 > 6 19 Dy 0.57652367154371 0.08333333333333 0.39253352492759 162.500 > 7 20 Dy 0.57652367154371 0.41666666666667 0.39253352492759 162.500 > 7 21 Dy 0.57652367154371 0.75000000000000 0.39253352492759 162.500 > 7 22 Dy 0.92347632845629 0.25000000000000 0.89253352492759 162.500 > 8 23 Dy 0.92347632845629 0.58333333333333 0.89253352492759 162.500 > 8 24 Dy 0.92347632845629 0.91666666666667 0.89253352492759 162.500 > 8 *25 Dy 0.07645891629092 0.08333333333333 0.60233131743786 162.500 > 9 26 Dy 0.07645891629092 0.41666666666667 0.60233131743786 162.500 > 9 27 Dy 0.07645891629092 0.75000000000000 0.60233131743786 162.500 > 9 28 Dy 0.42354108370908 0.25000000000000 0.10233131743786 162.500 > 10 29 Dy 0.42354108370908 0.58333333333333 0.10233131743786 162.500 > 10 30 Dy 0.42354108370908 0.91666666666667 0.10233131743786 162.500 > 10 31 Dy 0.57645891629092 0.08333333333333 0.89766868256214 162.500 > 11 32 Dy 0.57645891629092 0.41666666666667 0.89766868256214 162.500 > 11 33 Dy 0.57645891629092 0.75000000000000 0.89766868256214 162.500 > 11 34 Dy 0.92354108370908 0.25000000000000 0.39766868256214 162.500 > 12 35 Dy 0.92354108370908 0.58333333333333 0.39766868256214 162.500 > 12 36 Dy 0.92354108370908 0.91666666666667 0.39766868256214 162.500 > 12 *37 S 0.48392776967448 0.08333333333333 0.21674966559909 32.065 > 13 38 S 0.48392776967448 0.41666666666667 0.21674966559909 32.065 > 13 39 S 0.48392776967448 0.75000000000000 0.21674966559909 32.065 > 13 40 S 0.01607223032552 0.25000000000000 0.71674966559909 32.065 > 14 41 S 0.01607223032552 0.58333333333333 0.71674966559909 32.065 > 14 42 S 0.01607223032552 0.91666666666667 0.71674966559909 32.065 > 14 43 S 0.98392776967448 0.08333333333333 0.28325033440091 32.065 > 15 44 S 0.98392776967448 0.41666666666667 0.28325033440091 32.065 > 15 45 S 0.98392776967448 0.75000000000000 0.28325033440091 32.065 > 15 46 S 0.51607223032552 0.25000000000000 0.78325033440091 32.065 > 16 47 S 0.51607223032552 0.58333333333333 0.78325033440091 32.065 > 16 48 S 0.51607223032552 0.91666666666667 0.78325033440091 32.065 > 16 *49 S 0.36456942624983 0.08333333333333 0.97682799894190 32.065 > 17 50 S 0.36456942624983 0.41666666666667 0.97682799894190 32.065 > 17 51 S 0.36456942624983 0.75000000000000 0.97682799894190 32.065 > 17 52 S 0.13543057375017 0.25000000000000 0.47682799894190 32.065 > 18 53 S 0.13543057375017 0.58333333333333 0.47682799894190 32.065 > 18 54 S 0.13543057375017 0.91666666666667 0.47682799894190 32.065 > 18 55 S 0.86456942624983 0.08333333333333 0.52317200105810 32.065 > 19 56 S 0.86456942624983 0.41666666666667 0.52317200105810 32.065 > 19 57 S 0.86456942624983 0.75000000000000 0.52317200105810 32.065 > 19 58 S 0.63543057375017 0.25000000000000 0.02317200105810 32.065 > 20 59 S 0.63543057375017 0.58333333333333 0.02317200105810 32.065 > 20 60 S 0.63543057375017 0.91666666666667 0.02317200105810 32.065 > 20 *61 S 0.28835984276088 0.08333333333333 0.67804820195629 32.065 > 21 62 S 0.28835984276088 0.41666666666667 0.67804820195629 32.065 > 21 63 S 0.28835984276088 0.75000000000000 0.67804820195629 32.065 > 21 64 S 0.21164015723912 0.25000000000000 0.17804820195629 32.065 > 22 65 S 0.21164015723912 0.58333333333333 0.17804820195629 32.065 > 22 66 S 0.21164015723912 0.91666666666667 0.17804820195629 32.065 > 22 67 S 0.78835984276088 0.08333333333333 0.82195179804371 32.065 > 23 68 S 0.78835984276088 0.41666666666667 0.82195179804371 32.065 > 23 69 S 0.78835984276088 0.75000000000000 0.82195179804371 32.065 > 23 70 S 0.71164015723912 0.25000000000000 0.32195179804371 32.065 > 24 71 S 0.71164015723912 0.58333333333333 0.32195179804371 32.065 > 24 72 S 0.71164015723912 0.91666666666667 0.32195179804371 32.065 > 24 *73 S 0.08070139387012 0.08333333333333 0.91826929792081 32.065 > 25 74 S 0.08070139387012 0.41666666666667 0.91826929792081 32.065 > 25 75 S 0.08070139387012 0.75000000000000 0.91826929792081 32.065 > 25 76 S 0.41929860612988 0.25000000000000 0.41826929792081 32.065 > 26 77 S 0.41929860612988 0.58333333333333 0.41826929792081 32.065 > 26 78 S 0.41929860612988 0.91666666666667 0.41826929792081 32.065 > 26 79 S 0.58070139387012 0.08333333333333 0.58173070207919 32.065 > 27 80 S 0.58070139387012 0.41666666666667 0.58173070207919 32.065 > 27 81 S 0.58070139387012 0.75000000000000 0.58173070207919 32.065 > 27 82 S 0.91929860612988 0.25000000000000 0.08173070207919 32.065 > 28 83 S 0.91929860612988 0.58333333333333 0.08173070207919 32.065 > 28 84 S 0.91929860612988 0.91666666666667 0.08173070207919 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2908280 0.0000000 0.0000000 0.0000000 6.8424320 0.0000000 0.0000000 0.0000000 6.5388617 -------------------------- Born effective charges -------------------------- 1 Sr 2.8035227 0.0000000 0.0163960 0.0000000 2.4292472 0.0000000 0.1111886 0.0000000 2.6243578 2 Sr 2.8035227 0.0000000 -0.0163960 0.0000000 2.4292472 0.0000000 -0.1111886 0.0000000 2.6243578 3 Sr 2.8035227 0.0000000 -0.0163960 0.0000000 2.4292472 0.0000000 -0.1111886 0.0000000 2.6243578 4 Sr 2.8035227 0.0000000 0.0163960 0.0000000 2.4292472 0.0000000 0.1111886 0.0000000 2.6243578 5 Dy 3.4683598 0.0000000 0.2762727 0.0000000 4.2995819 0.0000000 0.1138431 0.0000000 4.2616280 6 Dy 3.4683598 0.0000000 -0.2762727 0.0000000 4.2995819 0.0000000 -0.1138431 0.0000000 4.2616280 7 Dy 3.4683598 0.0000000 -0.2762727 0.0000000 4.2995819 0.0000000 -0.1138431 0.0000000 4.2616280 8 Dy 3.4683598 0.0000000 0.2762727 0.0000000 4.2995819 0.0000000 0.1138431 0.0000000 4.2616280 9 Dy 3.4530296 0.0000000 0.3856781 0.0000000 4.5920662 0.0000000 0.2115347 0.0000000 3.6981493 10 Dy 3.4530296 0.0000000 -0.3856781 0.0000000 4.5920662 0.0000000 -0.2115347 0.0000000 3.6981493 11 Dy 3.4530296 0.0000000 -0.3856781 0.0000000 4.5920662 0.0000000 -0.2115347 0.0000000 3.6981493 12 Dy 3.4530296 0.0000000 0.3856781 0.0000000 4.5920662 0.0000000 0.2115347 0.0000000 3.6981493 13 S -2.0164984 0.0000000 -0.4730616 0.0000000 -2.6861269 0.0000000 -0.6277358 0.0000000 -3.3207168 14 S -2.0164984 0.0000000 0.4730616 0.0000000 -2.6861269 0.0000000 0.6277358 0.0000000 -3.3207168 15 S -2.0164984 0.0000000 0.4730616 0.0000000 -2.6861269 0.0000000 0.6277358 0.0000000 -3.3207168 16 S -2.0164984 0.0000000 -0.4730616 0.0000000 -2.6861269 0.0000000 -0.6277358 0.0000000 -3.3207168 17 S -2.3886780 0.0000000 -0.0422082 0.0000000 -2.8970581 0.0000000 0.0339705 0.0000000 -2.7104616 18 S -2.3886780 0.0000000 0.0422082 0.0000000 -2.8970581 0.0000000 -0.0339705 0.0000000 -2.7104616 19 S -2.3886780 0.0000000 0.0422082 0.0000000 -2.8970581 0.0000000 -0.0339705 0.0000000 -2.7104616 20 S -2.3886780 0.0000000 -0.0422082 0.0000000 -2.8970581 0.0000000 0.0339705 0.0000000 -2.7104616 21 S -2.9290942 0.0000000 0.0904383 0.0000000 -2.8854772 0.0000000 0.1090431 0.0000000 -2.1483218 22 S -2.9290942 0.0000000 -0.0904383 0.0000000 -2.8854772 0.0000000 -0.1090431 0.0000000 -2.1483218 23 S -2.9290942 0.0000000 -0.0904383 0.0000000 -2.8854772 0.0000000 -0.1090431 0.0000000 -2.1483218 24 S -2.9290942 0.0000000 0.0904383 0.0000000 -2.8854772 0.0000000 0.1090431 0.0000000 -2.1483218 25 S -2.3906416 0.0000000 0.0024527 0.0000000 -2.8522331 0.0000000 -0.1676391 0.0000000 -2.4046348 26 S -2.3906416 0.0000000 -0.0024527 0.0000000 -2.8522331 0.0000000 0.1676391 0.0000000 -2.4046348 27 S -2.3906416 0.0000000 -0.0024527 0.0000000 -2.8522331 0.0000000 0.1676391 0.0000000 -2.4046348 28 S -2.3906416 0.0000000 0.0024527 0.0000000 -2.8522331 0.0000000 -0.1676391 0.0000000 -2.4046348 ---------------------------------------------------------------------------- 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: 1.418 Solver_block: 200 / 480 - Time: 1.418 Solver_block: 300 / 480 - Time: 1.416 Solver_block: 400 / 480 - Time: 1.415 Solver_block: 480 / 480 - Time: 1.171 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.875 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:46:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:46:12]------------------------- 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 11.730107909999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.958192160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.178715869999998 Atomic positions (fractional): 1 Sr 0.74590351628877 0.25000000000000 0.16087404383420 87.620 2 Sr 0.75409648371123 0.75000000000000 0.66087404383420 87.620 3 Sr 0.24590351628877 0.25000000000000 0.33912595616580 87.620 4 Sr 0.25409648371123 0.75000000000000 0.83912595616580 87.620 5 Dy 0.07652367154371 0.25000000000000 0.10746647507241 162.500 6 Dy 0.42347632845629 0.75000000000000 0.60746647507241 162.500 7 Dy 0.57652367154371 0.25000000000000 0.39253352492759 162.500 8 Dy 0.92347632845629 0.75000000000000 0.89253352492759 162.500 9 Dy 0.07645891629092 0.25000000000000 0.60233131743786 162.500 10 Dy 0.42354108370908 0.75000000000000 0.10233131743786 162.500 11 Dy 0.57645891629092 0.25000000000000 0.89766868256214 162.500 12 Dy 0.92354108370908 0.75000000000000 0.39766868256214 162.500 13 S 0.48392776967448 0.25000000000000 0.21674966559909 32.065 14 S 0.01607223032552 0.75000000000000 0.71674966559909 32.065 15 S 0.98392776967448 0.25000000000000 0.28325033440091 32.065 16 S 0.51607223032552 0.75000000000000 0.78325033440091 32.065 17 S 0.36456942624983 0.25000000000000 0.97682799894190 32.065 18 S 0.13543057375017 0.75000000000000 0.47682799894190 32.065 19 S 0.86456942624983 0.25000000000000 0.52317200105810 32.065 20 S 0.63543057375017 0.75000000000000 0.02317200105810 32.065 21 S 0.28835984276088 0.25000000000000 0.67804820195629 32.065 22 S 0.21164015723912 0.75000000000000 0.17804820195629 32.065 23 S 0.78835984276088 0.25000000000000 0.82195179804371 32.065 24 S 0.71164015723912 0.75000000000000 0.32195179804371 32.065 25 S 0.08070139387012 0.25000000000000 0.91826929792081 32.065 26 S 0.41929860612988 0.75000000000000 0.41826929792081 32.065 27 S 0.58070139387012 0.25000000000000 0.58173070207919 32.065 28 S 0.91929860612988 0.75000000000000 0.08173070207919 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.730107909999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.874576480000004 0.000000000000000 c 0.000000000000000 0.000000000000000 14.178715869999998 Atomic positions (fractional): 1 Sr 0.74590351628877 0.08333333333333 0.16087404383420 87.620 > 1 2 Sr 0.74590351628877 0.41666666666667 0.16087404383420 87.620 > 1 3 Sr 0.74590351628877 0.75000000000000 0.16087404383420 87.620 > 1 4 Sr 0.75409648371123 0.25000000000000 0.66087404383420 87.620 > 4 5 Sr 0.75409648371123 0.58333333333333 0.66087404383420 87.620 > 4 6 Sr 0.75409648371123 0.91666666666667 0.66087404383420 87.620 > 4 7 Sr 0.24590351628877 0.08333333333333 0.33912595616580 87.620 > 7 8 Sr 0.24590351628877 0.41666666666667 0.33912595616580 87.620 > 7 9 Sr 0.24590351628877 0.75000000000000 0.33912595616580 87.620 > 7 10 Sr 0.25409648371123 0.25000000000000 0.83912595616580 87.620 > 10 11 Sr 0.25409648371123 0.58333333333333 0.83912595616580 87.620 > 10 12 Sr 0.25409648371123 0.91666666666667 0.83912595616580 87.620 > 10 13 Dy 0.07652367154371 0.08333333333333 0.10746647507241 162.500 > 13 14 Dy 0.07652367154371 0.41666666666667 0.10746647507241 162.500 > 13 15 Dy 0.07652367154371 0.75000000000000 0.10746647507241 162.500 > 13 16 Dy 0.42347632845629 0.25000000000000 0.60746647507241 162.500 > 16 17 Dy 0.42347632845629 0.58333333333333 0.60746647507241 162.500 > 16 18 Dy 0.42347632845629 0.91666666666667 0.60746647507241 162.500 > 16 19 Dy 0.57652367154371 0.08333333333333 0.39253352492759 162.500 > 19 20 Dy 0.57652367154371 0.41666666666667 0.39253352492759 162.500 > 19 21 Dy 0.57652367154371 0.75000000000000 0.39253352492759 162.500 > 19 22 Dy 0.92347632845629 0.25000000000000 0.89253352492759 162.500 > 22 23 Dy 0.92347632845629 0.58333333333333 0.89253352492759 162.500 > 22 24 Dy 0.92347632845629 0.91666666666667 0.89253352492759 162.500 > 22 25 Dy 0.07645891629092 0.08333333333333 0.60233131743786 162.500 > 25 26 Dy 0.07645891629092 0.41666666666667 0.60233131743786 162.500 > 25 27 Dy 0.07645891629092 0.75000000000000 0.60233131743786 162.500 > 25 28 Dy 0.42354108370908 0.25000000000000 0.10233131743786 162.500 > 28 29 Dy 0.42354108370908 0.58333333333333 0.10233131743786 162.500 > 28 30 Dy 0.42354108370908 0.91666666666667 0.10233131743786 162.500 > 28 31 Dy 0.57645891629092 0.08333333333333 0.89766868256214 162.500 > 31 32 Dy 0.57645891629092 0.41666666666667 0.89766868256214 162.500 > 31 33 Dy 0.57645891629092 0.75000000000000 0.89766868256214 162.500 > 31 34 Dy 0.92354108370908 0.25000000000000 0.39766868256214 162.500 > 34 35 Dy 0.92354108370908 0.58333333333333 0.39766868256214 162.500 > 34 36 Dy 0.92354108370908 0.91666666666667 0.39766868256214 162.500 > 34 37 S 0.48392776967448 0.08333333333333 0.21674966559909 32.065 > 37 38 S 0.48392776967448 0.41666666666667 0.21674966559909 32.065 > 37 39 S 0.48392776967448 0.75000000000000 0.21674966559909 32.065 > 37 40 S 0.01607223032552 0.25000000000000 0.71674966559909 32.065 > 40 41 S 0.01607223032552 0.58333333333333 0.71674966559909 32.065 > 40 42 S 0.01607223032552 0.91666666666667 0.71674966559909 32.065 > 40 43 S 0.98392776967448 0.08333333333333 0.28325033440091 32.065 > 43 44 S 0.98392776967448 0.41666666666667 0.28325033440091 32.065 > 43 45 S 0.98392776967448 0.75000000000000 0.28325033440091 32.065 > 43 46 S 0.51607223032552 0.25000000000000 0.78325033440091 32.065 > 46 47 S 0.51607223032552 0.58333333333333 0.78325033440091 32.065 > 46 48 S 0.51607223032552 0.91666666666667 0.78325033440091 32.065 > 46 49 S 0.36456942624983 0.08333333333333 0.97682799894190 32.065 > 49 50 S 0.36456942624983 0.41666666666667 0.97682799894190 32.065 > 49 51 S 0.36456942624983 0.75000000000000 0.97682799894190 32.065 > 49 52 S 0.13543057375017 0.25000000000000 0.47682799894190 32.065 > 52 53 S 0.13543057375017 0.58333333333333 0.47682799894190 32.065 > 52 54 S 0.13543057375017 0.91666666666667 0.47682799894190 32.065 > 52 55 S 0.86456942624983 0.08333333333333 0.52317200105810 32.065 > 55 56 S 0.86456942624983 0.41666666666667 0.52317200105810 32.065 > 55 57 S 0.86456942624983 0.75000000000000 0.52317200105810 32.065 > 55 58 S 0.63543057375017 0.25000000000000 0.02317200105810 32.065 > 58 59 S 0.63543057375017 0.58333333333333 0.02317200105810 32.065 > 58 60 S 0.63543057375017 0.91666666666667 0.02317200105810 32.065 > 58 61 S 0.28835984276088 0.08333333333333 0.67804820195629 32.065 > 61 62 S 0.28835984276088 0.41666666666667 0.67804820195629 32.065 > 61 63 S 0.28835984276088 0.75000000000000 0.67804820195629 32.065 > 61 64 S 0.21164015723912 0.25000000000000 0.17804820195629 32.065 > 64 65 S 0.21164015723912 0.58333333333333 0.17804820195629 32.065 > 64 66 S 0.21164015723912 0.91666666666667 0.17804820195629 32.065 > 64 67 S 0.78835984276088 0.08333333333333 0.82195179804371 32.065 > 67 68 S 0.78835984276088 0.41666666666667 0.82195179804371 32.065 > 67 69 S 0.78835984276088 0.75000000000000 0.82195179804371 32.065 > 67 70 S 0.71164015723912 0.25000000000000 0.32195179804371 32.065 > 70 71 S 0.71164015723912 0.58333333333333 0.32195179804371 32.065 > 70 72 S 0.71164015723912 0.91666666666667 0.32195179804371 32.065 > 70 73 S 0.08070139387012 0.08333333333333 0.91826929792081 32.065 > 73 74 S 0.08070139387012 0.41666666666667 0.91826929792081 32.065 > 73 75 S 0.08070139387012 0.75000000000000 0.91826929792081 32.065 > 73 76 S 0.41929860612988 0.25000000000000 0.41826929792081 32.065 > 76 77 S 0.41929860612988 0.58333333333333 0.41826929792081 32.065 > 76 78 S 0.41929860612988 0.91666666666667 0.41826929792081 32.065 > 76 79 S 0.58070139387012 0.08333333333333 0.58173070207919 32.065 > 79 80 S 0.58070139387012 0.41666666666667 0.58173070207919 32.065 > 79 81 S 0.58070139387012 0.75000000000000 0.58173070207919 32.065 > 79 82 S 0.91929860612988 0.25000000000000 0.08173070207919 32.065 > 82 83 S 0.91929860612988 0.58333333333333 0.08173070207919 32.065 > 82 84 S 0.91929860612988 0.91666666666667 0.08173070207919 32.065 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.2908280 0.0000000 0.0000000 0.0000000 6.8424320 0.0000000 0.0000000 0.0000000 6.5388617 -------------------------- Born effective charges -------------------------- 1 Sr 2.8035227 0.0000000 0.0163960 0.0000000 2.4292472 0.0000000 0.1111886 0.0000000 2.6243578 2 Sr 2.8035227 0.0000000 -0.0163960 0.0000000 2.4292472 0.0000000 -0.1111886 0.0000000 2.6243578 3 Sr 2.8035227 0.0000000 -0.0163960 0.0000000 2.4292472 0.0000000 -0.1111886 0.0000000 2.6243578 4 Sr 2.8035227 0.0000000 0.0163960 0.0000000 2.4292472 0.0000000 0.1111886 0.0000000 2.6243578 5 Dy 3.4683598 0.0000000 0.2762727 0.0000000 4.2995819 0.0000000 0.1138431 0.0000000 4.2616280 6 Dy 3.4683598 0.0000000 -0.2762727 0.0000000 4.2995819 0.0000000 -0.1138431 0.0000000 4.2616280 7 Dy 3.4683598 0.0000000 -0.2762727 0.0000000 4.2995819 0.0000000 -0.1138431 0.0000000 4.2616280 8 Dy 3.4683598 0.0000000 0.2762727 0.0000000 4.2995819 0.0000000 0.1138431 0.0000000 4.2616280 9 Dy 3.4530296 0.0000000 0.3856781 0.0000000 4.5920662 0.0000000 0.2115347 0.0000000 3.6981493 10 Dy 3.4530296 0.0000000 -0.3856781 0.0000000 4.5920662 0.0000000 -0.2115347 0.0000000 3.6981493 11 Dy 3.4530296 0.0000000 -0.3856781 0.0000000 4.5920662 0.0000000 -0.2115347 0.0000000 3.6981493 12 Dy 3.4530296 0.0000000 0.3856781 0.0000000 4.5920662 0.0000000 0.2115347 0.0000000 3.6981493 13 S -2.0164984 0.0000000 -0.4730616 0.0000000 -2.6861269 0.0000000 -0.6277358 0.0000000 -3.3207168 14 S -2.0164984 0.0000000 0.4730616 0.0000000 -2.6861269 0.0000000 0.6277358 0.0000000 -3.3207168 15 S -2.0164984 0.0000000 0.4730616 0.0000000 -2.6861269 0.0000000 0.6277358 0.0000000 -3.3207168 16 S -2.0164984 0.0000000 -0.4730616 0.0000000 -2.6861269 0.0000000 -0.6277358 0.0000000 -3.3207168 17 S -2.3886780 0.0000000 -0.0422082 0.0000000 -2.8970581 0.0000000 0.0339705 0.0000000 -2.7104616 18 S -2.3886780 0.0000000 0.0422082 0.0000000 -2.8970581 0.0000000 -0.0339705 0.0000000 -2.7104616 19 S -2.3886780 0.0000000 0.0422082 0.0000000 -2.8970581 0.0000000 -0.0339705 0.0000000 -2.7104616 20 S -2.3886780 0.0000000 -0.0422082 0.0000000 -2.8970581 0.0000000 0.0339705 0.0000000 -2.7104616 21 S -2.9290942 0.0000000 0.0904383 0.0000000 -2.8854772 0.0000000 0.1090431 0.0000000 -2.1483218 22 S -2.9290942 0.0000000 -0.0904383 0.0000000 -2.8854772 0.0000000 -0.1090431 0.0000000 -2.1483218 23 S -2.9290942 0.0000000 -0.0904383 0.0000000 -2.8854772 0.0000000 -0.1090431 0.0000000 -2.1483218 24 S -2.9290942 0.0000000 0.0904383 0.0000000 -2.8854772 0.0000000 0.1090431 0.0000000 -2.1483218 25 S -2.3906416 0.0000000 0.0024527 0.0000000 -2.8522331 0.0000000 -0.1676391 0.0000000 -2.4046348 26 S -2.3906416 0.0000000 -0.0024527 0.0000000 -2.8522331 0.0000000 0.1676391 0.0000000 -2.4046348 27 S -2.3906416 0.0000000 -0.0024527 0.0000000 -2.8522331 0.0000000 0.1676391 0.0000000 -2.4046348 28 S -2.3906416 0.0000000 0.0024527 0.0000000 -2.8522331 0.0000000 -0.1676391 0.0000000 -2.4046348 ---------------------------------------------------------------------------- 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 (xyy) 0.00000000 (xyy) 0.00000000 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) 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 2026-01-09 04:46:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:46:28]------------------------- 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 11.730107909999997 0.000000000000000 0.000000000000000 b 0.000000000000000 3.958192160000001 0.000000000000000 c 0.000000000000000 0.000000000000000 14.178715869999998 Atomic positions (fractional): 1 Sr 0.74590351628877 0.25000000000000 0.16087404383420 87.620 2 Sr 0.75409648371123 0.75000000000000 0.66087404383420 87.620 3 Sr 0.24590351628877 0.25000000000000 0.33912595616580 87.620 4 Sr 0.25409648371123 0.75000000000000 0.83912595616580 87.620 5 Dy 0.07652367154371 0.25000000000000 0.10746647507241 162.500 6 Dy 0.42347632845629 0.75000000000000 0.60746647507241 162.500 7 Dy 0.57652367154371 0.25000000000000 0.39253352492759 162.500 8 Dy 0.92347632845629 0.75000000000000 0.89253352492759 162.500 9 Dy 0.07645891629092 0.25000000000000 0.60233131743786 162.500 10 Dy 0.42354108370908 0.75000000000000 0.10233131743786 162.500 11 Dy 0.57645891629092 0.25000000000000 0.89766868256214 162.500 12 Dy 0.92354108370908 0.75000000000000 0.39766868256214 162.500 13 S 0.48392776967448 0.25000000000000 0.21674966559909 32.065 14 S 0.01607223032552 0.75000000000000 0.71674966559909 32.065 15 S 0.98392776967448 0.25000000000000 0.28325033440091 32.065 16 S 0.51607223032552 0.75000000000000 0.78325033440091 32.065 17 S 0.36456942624983 0.25000000000000 0.97682799894190 32.065 18 S 0.13543057375017 0.75000000000000 0.47682799894190 32.065 19 S 0.86456942624983 0.25000000000000 0.52317200105810 32.065 20 S 0.63543057375017 0.75000000000000 0.02317200105810 32.065 21 S 0.28835984276088 0.25000000000000 0.67804820195629 32.065 22 S 0.21164015723912 0.75000000000000 0.17804820195629 32.065 23 S 0.78835984276088 0.25000000000000 0.82195179804371 32.065 24 S 0.71164015723912 0.75000000000000 0.32195179804371 32.065 25 S 0.08070139387012 0.25000000000000 0.91826929792081 32.065 26 S 0.41929860612988 0.75000000000000 0.41826929792081 32.065 27 S 0.58070139387012 0.25000000000000 0.58173070207919 32.065 28 S 0.91929860612988 0.75000000000000 0.08173070207919 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.730107909999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.874576480000004 0.000000000000000 c 0.000000000000000 0.000000000000000 14.178715869999998 Atomic positions (fractional): 1 Sr 0.74590351628877 0.08333333333333 0.16087404383420 87.620 > 1 2 Sr 0.74590351628877 0.41666666666667 0.16087404383420 87.620 > 1 3 Sr 0.74590351628877 0.75000000000000 0.16087404383420 87.620 > 1 4 Sr 0.75409648371123 0.25000000000000 0.66087404383420 87.620 > 4 5 Sr 0.75409648371123 0.58333333333333 0.66087404383420 87.620 > 4 6 Sr 0.75409648371123 0.91666666666667 0.66087404383420 87.620 > 4 7 Sr 0.24590351628877 0.08333333333333 0.33912595616580 87.620 > 7 8 Sr 0.24590351628877 0.41666666666667 0.33912595616580 87.620 > 7 9 Sr 0.24590351628877 0.75000000000000 0.33912595616580 87.620 > 7 10 Sr 0.25409648371123 0.25000000000000 0.83912595616580 87.620 > 10 11 Sr 0.25409648371123 0.58333333333333 0.83912595616580 87.620 > 10 12 Sr 0.25409648371123 0.91666666666667 0.83912595616580 87.620 > 10 13 Dy 0.07652367154371 0.08333333333333 0.10746647507241 162.500 > 13 14 Dy 0.07652367154371 0.41666666666667 0.10746647507241 162.500 > 13 15 Dy 0.07652367154371 0.75000000000000 0.10746647507241 162.500 > 13 16 Dy 0.42347632845629 0.25000000000000 0.60746647507241 162.500 > 16 17 Dy 0.42347632845629 0.58333333333333 0.60746647507241 162.500 > 16 18 Dy 0.42347632845629 0.91666666666667 0.60746647507241 162.500 > 16 19 Dy 0.57652367154371 0.08333333333333 0.39253352492759 162.500 > 19 20 Dy 0.57652367154371 0.41666666666667 0.39253352492759 162.500 > 19 21 Dy 0.57652367154371 0.75000000000000 0.39253352492759 162.500 > 19 22 Dy 0.92347632845629 0.25000000000000 0.89253352492759 162.500 > 22 23 Dy 0.92347632845629 0.58333333333333 0.89253352492759 162.500 > 22 24 Dy 0.92347632845629 0.91666666666667 0.89253352492759 162.500 > 22 25 Dy 0.07645891629092 0.08333333333333 0.60233131743786 162.500 > 25 26 Dy 0.07645891629092 0.41666666666667 0.60233131743786 162.500 > 25 27 Dy 0.07645891629092 0.75000000000000 0.60233131743786 162.500 > 25 28 Dy 0.42354108370908 0.25000000000000 0.10233131743786 162.500 > 28 29 Dy 0.42354108370908 0.58333333333333 0.10233131743786 162.500 > 28 30 Dy 0.42354108370908 0.91666666666667 0.10233131743786 162.500 > 28 31 Dy 0.57645891629092 0.08333333333333 0.89766868256214 162.500 > 31 32 Dy 0.57645891629092 0.41666666666667 0.89766868256214 162.500 > 31 33 Dy 0.57645891629092 0.75000000000000 0.89766868256214 162.500 > 31 34 Dy 0.92354108370908 0.25000000000000 0.39766868256214 162.500 > 34 35 Dy 0.92354108370908 0.58333333333333 0.39766868256214 162.500 > 34 36 Dy 0.92354108370908 0.91666666666667 0.39766868256214 162.500 > 34 37 S 0.48392776967448 0.08333333333333 0.21674966559909 32.065 > 37 38 S 0.48392776967448 0.41666666666667 0.21674966559909 32.065 > 37 39 S 0.48392776967448 0.75000000000000 0.21674966559909 32.065 > 37 40 S 0.01607223032552 0.25000000000000 0.71674966559909 32.065 > 40 41 S 0.01607223032552 0.58333333333333 0.71674966559909 32.065 > 40 42 S 0.01607223032552 0.91666666666667 0.71674966559909 32.065 > 40 43 S 0.98392776967448 0.08333333333333 0.28325033440091 32.065 > 43 44 S 0.98392776967448 0.41666666666667 0.28325033440091 32.065 > 43 45 S 0.98392776967448 0.75000000000000 0.28325033440091 32.065 > 43 46 S 0.51607223032552 0.25000000000000 0.78325033440091 32.065 > 46 47 S 0.51607223032552 0.58333333333333 0.78325033440091 32.065 > 46 48 S 0.51607223032552 0.91666666666667 0.78325033440091 32.065 > 46 49 S 0.36456942624983 0.08333333333333 0.97682799894190 32.065 > 49 50 S 0.36456942624983 0.41666666666667 0.97682799894190 32.065 > 49 51 S 0.36456942624983 0.75000000000000 0.97682799894190 32.065 > 49 52 S 0.13543057375017 0.25000000000000 0.47682799894190 32.065 > 52 53 S 0.13543057375017 0.58333333333333 0.47682799894190 32.065 > 52 54 S 0.13543057375017 0.91666666666667 0.47682799894190 32.065 > 52 55 S 0.86456942624983 0.08333333333333 0.52317200105810 32.065 > 55 56 S 0.86456942624983 0.41666666666667 0.52317200105810 32.065 > 55 57 S 0.86456942624983 0.75000000000000 0.52317200105810 32.065 > 55 58 S 0.63543057375017 0.25000000000000 0.02317200105810 32.065 > 58 59 S 0.63543057375017 0.58333333333333 0.02317200105810 32.065 > 58 60 S 0.63543057375017 0.91666666666667 0.02317200105810 32.065 > 58 61 S 0.28835984276088 0.08333333333333 0.67804820195629 32.065 > 61 62 S 0.28835984276088 0.41666666666667 0.67804820195629 32.065 > 61 63 S 0.28835984276088 0.75000000000000 0.67804820195629 32.065 > 61 64 S 0.21164015723912 0.25000000000000 0.17804820195629 32.065 > 64 65 S 0.21164015723912 0.58333333333333 0.17804820195629 32.065 > 64 66 S 0.21164015723912 0.91666666666667 0.17804820195629 32.065 > 64 67 S 0.78835984276088 0.08333333333333 0.82195179804371 32.065 > 67 68 S 0.78835984276088 0.41666666666667 0.82195179804371 32.065 > 67 69 S 0.78835984276088 0.75000000000000 0.82195179804371 32.065 > 67 70 S 0.71164015723912 0.25000000000000 0.32195179804371 32.065 > 70 71 S 0.71164015723912 0.58333333333333 0.32195179804371 32.065 > 70 72 S 0.71164015723912 0.91666666666667 0.32195179804371 32.065 > 70 73 S 0.08070139387012 0.08333333333333 0.91826929792081 32.065 > 73 74 S 0.08070139387012 0.41666666666667 0.91826929792081 32.065 > 73 75 S 0.08070139387012 0.75000000000000 0.91826929792081 32.065 > 73 76 S 0.41929860612988 0.25000000000000 0.41826929792081 32.065 > 76 77 S 0.41929860612988 0.58333333333333 0.41826929792081 32.065 > 76 78 S 0.41929860612988 0.91666666666667 0.41826929792081 32.065 > 76 79 S 0.58070139387012 0.08333333333333 0.58173070207919 32.065 > 79 80 S 0.58070139387012 0.41666666666667 0.58173070207919 32.065 > 79 81 S 0.58070139387012 0.75000000000000 0.58173070207919 32.065 > 79 82 S 0.91929860612988 0.25000000000000 0.08173070207919 32.065 > 82 83 S 0.91929860612988 0.58333333333333 0.08173070207919 32.065 > 82 84 S 0.91929860612988 0.91666666666667 0.08173070207919 32.065 > 82 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.2908280 0.0000000 0.0000000 0.0000000 6.8424320 0.0000000 0.0000000 0.0000000 6.5388617 -------------------------- Born effective charges -------------------------- 1 Sr 2.8035227 0.0000000 0.0163960 0.0000000 2.4292472 0.0000000 0.1111886 0.0000000 2.6243578 2 Sr 2.8035227 0.0000000 -0.0163960 0.0000000 2.4292472 0.0000000 -0.1111886 0.0000000 2.6243578 3 Sr 2.8035227 0.0000000 -0.0163960 0.0000000 2.4292472 0.0000000 -0.1111886 0.0000000 2.6243578 4 Sr 2.8035227 0.0000000 0.0163960 0.0000000 2.4292472 0.0000000 0.1111886 0.0000000 2.6243578 5 Dy 3.4683598 0.0000000 0.2762727 0.0000000 4.2995819 0.0000000 0.1138431 0.0000000 4.2616280 6 Dy 3.4683598 0.0000000 -0.2762727 0.0000000 4.2995819 0.0000000 -0.1138431 0.0000000 4.2616280 7 Dy 3.4683598 0.0000000 -0.2762727 0.0000000 4.2995819 0.0000000 -0.1138431 0.0000000 4.2616280 8 Dy 3.4683598 0.0000000 0.2762727 0.0000000 4.2995819 0.0000000 0.1138431 0.0000000 4.2616280 9 Dy 3.4530296 0.0000000 0.3856781 0.0000000 4.5920662 0.0000000 0.2115347 0.0000000 3.6981493 10 Dy 3.4530296 0.0000000 -0.3856781 0.0000000 4.5920662 0.0000000 -0.2115347 0.0000000 3.6981493 11 Dy 3.4530296 0.0000000 -0.3856781 0.0000000 4.5920662 0.0000000 -0.2115347 0.0000000 3.6981493 12 Dy 3.4530296 0.0000000 0.3856781 0.0000000 4.5920662 0.0000000 0.2115347 0.0000000 3.6981493 13 S -2.0164984 0.0000000 -0.4730616 0.0000000 -2.6861269 0.0000000 -0.6277358 0.0000000 -3.3207168 14 S -2.0164984 0.0000000 0.4730616 0.0000000 -2.6861269 0.0000000 0.6277358 0.0000000 -3.3207168 15 S -2.0164984 0.0000000 0.4730616 0.0000000 -2.6861269 0.0000000 0.6277358 0.0000000 -3.3207168 16 S -2.0164984 0.0000000 -0.4730616 0.0000000 -2.6861269 0.0000000 -0.6277358 0.0000000 -3.3207168 17 S -2.3886780 0.0000000 -0.0422082 0.0000000 -2.8970581 0.0000000 0.0339705 0.0000000 -2.7104616 18 S -2.3886780 0.0000000 0.0422082 0.0000000 -2.8970581 0.0000000 -0.0339705 0.0000000 -2.7104616 19 S -2.3886780 0.0000000 0.0422082 0.0000000 -2.8970581 0.0000000 -0.0339705 0.0000000 -2.7104616 20 S -2.3886780 0.0000000 -0.0422082 0.0000000 -2.8970581 0.0000000 0.0339705 0.0000000 -2.7104616 21 S -2.9290942 0.0000000 0.0904383 0.0000000 -2.8854772 0.0000000 0.1090431 0.0000000 -2.1483218 22 S -2.9290942 0.0000000 -0.0904383 0.0000000 -2.8854772 0.0000000 -0.1090431 0.0000000 -2.1483218 23 S -2.9290942 0.0000000 -0.0904383 0.0000000 -2.8854772 0.0000000 -0.1090431 0.0000000 -2.1483218 24 S -2.9290942 0.0000000 0.0904383 0.0000000 -2.8854772 0.0000000 0.1090431 0.0000000 -2.1483218 25 S -2.3906416 0.0000000 0.0024527 0.0000000 -2.8522331 0.0000000 -0.1676391 0.0000000 -2.4046348 26 S -2.3906416 0.0000000 -0.0024527 0.0000000 -2.8522331 0.0000000 0.1676391 0.0000000 -2.4046348 27 S -2.3906416 0.0000000 -0.0024527 0.0000000 -2.8522331 0.0000000 0.1676391 0.0000000 -2.4046348 28 S -2.3906416 0.0000000 0.0024527 0.0000000 -2.8522331 0.0000000 -0.1676391 0.0000000 -2.4046348 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyy) 0.00000000 (xyy) 0.00000000 (xyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 13 4 ] 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: 0.48, Number of G-points: 293, Lambda: 0.13 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: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 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 1.064 ( 0.000 0.000 0.000) 0.000 1.160 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.543 ( 0.000 0.000 0.000) 0.000 1.614 ( 0.000 0.000 0.000) 0.000 1.653 ( 0.000 0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 1.776 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 2.066 ( 0.000 0.000 0.000) 0.000 2.091 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.405 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.709 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.761 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.261 ( 0.000 0.000 0.000) 0.000 4.396 ( 0.000 0.000 0.000) 0.000 4.678 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.878 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.255 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.417 ( 0.000 0.000 0.000) 0.000 6.557 ( 0.000 0.000 0.000) 0.000 6.566 ( 0.000 0.000 0.000) 0.000 6.567 ( 0.000 0.000 0.000) 0.000 6.635 ( 0.000 0.000 0.000) 0.000 6.722 ( 0.000 0.000 0.000) 0.000 6.767 ( 0.000 0.000 0.000) 0.000 6.784 ( 0.000 0.000 0.000) 0.000 6.812 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.129 ( 0.000 0.000 0.000) 0.000 7.137 ( 0.000 0.000 0.000) 0.000 7.145 ( 0.000 0.000 0.000) 0.000 7.158 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 0.000) 0.000 7.329 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 0.000 0.000) 0.000 7.692 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 8.239 ( 0.000 0.000 0.000) 0.000 8.260 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 8.756 ( 0.000 0.000 0.000) 0.000 8.826 ( 0.000 0.000 0.000) 0.000 9.011 ( 0.000 0.000 0.000) 0.000 9.715 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.915 ( 0.000 0.000 0.000) 0.000 10.125 ( 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: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 19.477 0.000 0.000) 19.477 0.528 ( 23.879 0.000 0.000) 23.879 0.716 ( 33.074 0.000 0.000) 33.074 1.103 ( -9.402 0.000 0.000) 9.402 1.303 ( 15.799 0.000 0.000) 15.799 1.343 ( -11.548 0.000 0.000) 11.548 1.484 ( -1.552 0.000 0.000) 1.552 1.607 ( 1.097 0.000 0.000) 1.097 1.681 ( 1.573 0.000 0.000) 1.573 1.705 ( -5.066 0.000 0.000) 5.066 1.743 ( -3.454 0.000 0.000) 3.454 1.762 ( -0.281 0.000 0.000) 0.281 1.914 ( -3.109 0.000 0.000) 3.109 2.062 ( -4.185 0.000 0.000) 4.185 2.082 ( 1.426 0.000 0.000) 1.426 2.126 ( -0.335 0.000 0.000) 0.335 2.337 ( -2.694 0.000 0.000) 2.694 2.379 ( -3.883 0.000 0.000) 3.883 2.516 ( -6.838 0.000 0.000) 6.838 2.526 ( 6.789 0.000 0.000) 6.789 2.699 ( 1.015 0.000 0.000) 1.015 2.733 ( 1.958 0.000 0.000) 1.958 2.752 ( -0.861 0.000 0.000) 0.861 2.816 ( -1.255 0.000 0.000) 1.255 2.899 ( -4.720 0.000 0.000) 4.720 3.034 ( 3.599 0.000 0.000) 3.599 3.110 ( 3.895 0.000 0.000) 3.895 3.380 ( -11.781 0.000 0.000) 11.781 3.496 ( -1.530 0.000 0.000) 1.530 3.589 ( -9.517 0.000 0.000) 9.517 3.690 ( 5.657 0.000 0.000) 5.657 3.846 ( 2.850 0.000 0.000) 2.850 3.900 ( -2.065 0.000 0.000) 2.065 4.063 ( -3.245 0.000 0.000) 3.245 4.150 ( 5.025 0.000 0.000) 5.025 4.264 ( 4.791 0.000 0.000) 4.791 4.329 ( -4.445 0.000 0.000) 4.445 4.361 ( 10.671 0.000 0.000) 10.671 4.420 ( -1.837 0.000 0.000) 1.837 4.660 ( -2.054 0.000 0.000) 2.054 5.582 ( 0.172 0.000 0.000) 0.172 5.613 ( -1.134 0.000 0.000) 1.134 5.770 ( 1.246 0.000 0.000) 1.246 5.857 ( -1.829 0.000 0.000) 1.829 5.910 ( -0.128 0.000 0.000) 0.128 5.931 ( -1.188 0.000 0.000) 1.188 6.001 ( 3.228 0.000 0.000) 3.228 6.031 ( 3.758 0.000 0.000) 3.758 6.073 ( -0.755 0.000 0.000) 0.755 6.172 ( 1.298 0.000 0.000) 1.298 6.238 ( -0.320 0.000 0.000) 0.320 6.381 ( -3.108 0.000 0.000) 3.108 6.437 ( 2.740 0.000 0.000) 2.740 6.515 ( -2.879 0.000 0.000) 2.879 6.582 ( 1.161 0.000 0.000) 1.161 6.613 ( 3.098 0.000 0.000) 3.098 6.628 ( -0.688 0.000 0.000) 0.688 6.651 ( 9.783 0.000 0.000) 9.783 6.790 ( 0.523 0.000 0.000) 0.523 6.811 ( -0.193 0.000 0.000) 0.193 6.852 ( 5.981 0.000 0.000) 5.981 6.852 ( -4.429 0.000 0.000) 4.429 7.104 ( -4.550 0.000 0.000) 4.550 7.127 ( 0.031 0.000 0.000) 0.031 7.141 ( -0.351 0.000 0.000) 0.351 7.145 ( 0.602 0.000 0.000) 0.602 7.169 ( -0.344 0.000 0.000) 0.344 7.260 ( -10.330 0.000 0.000) 10.330 7.344 ( 1.482 0.000 0.000) 1.482 7.510 ( -6.777 0.000 0.000) 6.777 7.715 ( 1.452 0.000 0.000) 1.452 7.721 ( 0.909 0.000 0.000) 0.909 8.253 ( 3.045 0.000 0.000) 3.045 8.257 ( 1.442 0.000 0.000) 1.442 8.376 ( 0.591 0.000 0.000) 0.591 8.389 ( -0.249 0.000 0.000) 0.249 8.744 ( -0.289 0.000 0.000) 0.289 8.753 ( -0.274 0.000 0.000) 0.274 9.036 ( 2.123 0.000 0.000) 2.123 9.140 ( -1.856 0.000 0.000) 1.856 9.758 ( 0.305 0.000 0.000) 0.305 9.773 ( -0.262 0.000 0.000) 0.262 9.935 ( 1.833 0.000 0.000) 1.833 10.079 ( -3.766 0.000 0.000) 3.766 ======================= Grid point 2 (3/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -15.998 0.000 0.000) 15.998 0.817 ( 15.998 0.000 0.000) 15.998 0.998 ( -19.788 0.000 0.000) 19.788 0.998 ( 19.788 0.000 0.000) 19.788 1.365 ( -25.610 0.000 0.000) 25.610 1.365 ( 25.610 0.000 0.000) 25.610 1.507 ( -1.073 0.000 0.000) 1.073 1.507 ( 1.073 0.000 0.000) 1.073 1.657 ( -2.819 0.000 0.000) 2.819 1.657 ( 2.819 0.000 0.000) 2.819 1.822 ( -4.741 0.000 0.000) 4.741 1.822 ( 4.741 0.000 0.000) 4.741 1.827 ( -14.246 0.000 0.000) 14.246 1.827 ( 14.246 0.000 0.000) 14.246 2.111 ( -1.064 0.000 0.000) 1.064 2.111 ( 1.064 0.000 0.000) 1.064 2.301 ( -2.061 0.000 0.000) 2.061 2.301 ( 2.061 0.000 0.000) 2.061 2.554 ( -5.105 0.000 0.000) 5.105 2.554 ( 5.105 0.000 0.000) 5.105 2.727 ( -1.376 0.000 0.000) 1.376 2.727 ( 1.376 0.000 0.000) 1.376 2.779 ( -2.112 0.000 0.000) 2.112 2.779 ( 2.112 0.000 0.000) 2.112 2.947 ( -9.430 0.000 0.000) 9.430 2.947 ( 9.430 0.000 0.000) 9.430 3.225 ( -5.638 0.000 0.000) 5.638 3.225 ( 5.638 0.000 0.000) 5.638 3.457 ( -0.267 0.000 0.000) 0.267 3.457 ( 0.267 0.000 0.000) 0.267 3.795 ( -4.144 0.000 0.000) 4.144 3.795 ( 4.144 0.000 0.000) 4.144 3.973 ( -4.695 0.000 0.000) 4.695 3.973 ( 4.695 0.000 0.000) 4.695 4.242 ( -3.790 0.000 0.000) 3.790 4.242 ( 3.790 0.000 0.000) 3.790 4.357 ( -3.934 0.000 0.000) 3.934 4.357 ( 3.934 0.000 0.000) 3.934 4.566 ( -7.184 0.000 0.000) 7.184 4.566 ( 7.184 0.000 0.000) 7.184 5.592 ( -0.749 0.000 0.000) 0.749 5.592 ( 0.749 0.000 0.000) 0.749 5.809 ( -2.288 0.000 0.000) 2.288 5.809 ( 2.288 0.000 0.000) 2.288 5.913 ( -0.458 0.000 0.000) 0.458 5.913 ( 0.458 0.000 0.000) 0.458 6.054 ( -1.432 0.000 0.000) 1.432 6.054 ( 1.432 0.000 0.000) 1.432 6.123 ( -4.282 0.000 0.000) 4.282 6.123 ( 4.282 0.000 0.000) 4.282 6.298 ( -4.262 0.000 0.000) 4.262 6.298 ( 4.262 0.000 0.000) 4.262 6.473 ( -1.343 0.000 0.000) 1.343 6.473 ( 1.343 0.000 0.000) 1.343 6.608 ( -1.146 0.000 0.000) 1.146 6.608 ( 1.146 0.000 0.000) 1.146 6.713 ( -5.720 0.000 0.000) 5.720 6.713 ( 5.720 0.000 0.000) 5.720 6.803 ( -0.550 0.000 0.000) 0.550 6.803 ( 0.550 0.000 0.000) 0.550 6.946 ( -8.397 0.000 0.000) 8.397 6.946 ( 8.397 0.000 0.000) 8.397 7.003 ( -0.934 0.000 0.000) 0.934 7.003 ( 0.934 0.000 0.000) 0.934 7.132 ( -0.378 0.000 0.000) 0.378 7.132 ( 0.378 0.000 0.000) 0.378 7.158 ( -0.580 0.000 0.000) 0.580 7.158 ( 0.580 0.000 0.000) 0.580 7.397 ( -3.643 0.000 0.000) 3.643 7.397 ( 3.643 0.000 0.000) 3.643 7.732 ( -0.067 0.000 0.000) 0.067 7.732 ( 0.067 0.000 0.000) 0.067 8.283 ( -0.386 0.000 0.000) 0.386 8.283 ( 0.386 0.000 0.000) 0.386 8.385 ( -0.219 0.000 0.000) 0.219 8.385 ( 0.219 0.000 0.000) 0.219 8.745 ( -0.342 0.000 0.000) 0.342 8.745 ( 0.342 0.000 0.000) 0.342 9.090 ( -2.678 0.000 0.000) 2.678 9.090 ( 2.678 0.000 0.000) 2.678 9.766 ( -0.417 0.000 0.000) 0.417 9.766 ( 0.417 0.000 0.000) 0.417 9.994 ( -3.647 0.000 0.000) 3.647 9.994 ( 3.647 0.000 0.000) 3.647 ======================= Grid point 5 (4/63) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 0.000 24.759 0.000) 24.759 0.539 ( 0.000 27.321 0.000) 27.321 0.904 ( 0.000 45.638 0.000) 45.638 1.128 ( 0.000 6.528 0.000) 6.528 1.217 ( 0.000 5.938 0.000) 5.938 1.569 ( 0.000 9.672 0.000) 9.672 1.577 ( 0.000 3.537 0.000) 3.537 1.665 ( 0.000 4.298 0.000) 4.298 1.722 ( 0.000 4.622 0.000) 4.622 1.739 ( 0.000 6.430 0.000) 6.430 1.853 ( 0.000 7.182 0.000) 7.182 1.853 ( 0.000 -7.692 0.000) 7.692 1.857 ( 0.000 7.621 0.000) 7.621 2.049 ( 0.000 8.710 0.000) 8.710 2.257 ( 0.000 12.861 0.000) 12.861 2.349 ( 0.000 -0.133 0.000) 0.133 2.392 ( 0.000 17.927 0.000) 17.927 2.428 ( 0.000 1.935 0.000) 1.935 2.468 ( 0.000 1.727 0.000) 1.727 2.486 ( 0.000 -7.635 0.000) 7.635 2.716 ( 0.000 2.874 0.000) 2.874 2.779 ( 0.000 2.938 0.000) 2.938 2.892 ( 0.000 5.364 0.000) 5.364 2.972 ( 0.000 16.046 0.000) 16.046 3.032 ( 0.000 3.529 0.000) 3.529 3.082 ( 0.000 10.734 0.000) 10.734 3.110 ( 0.000 8.110 0.000) 8.110 3.374 ( 0.000 0.187 0.000) 0.187 3.516 ( 0.000 -3.406 0.000) 3.406 3.554 ( 0.000 -1.072 0.000) 1.072 3.690 ( 0.000 -2.374 0.000) 2.374 3.737 ( 0.000 -2.106 0.000) 2.106 3.964 ( 0.000 -2.195 0.000) 2.195 4.029 ( 0.000 -2.989 0.000) 2.989 4.030 ( 0.000 -0.557 0.000) 0.557 4.092 ( 0.000 -0.181 0.000) 0.181 4.223 ( 0.000 -3.432 0.000) 3.432 4.238 ( 0.000 -2.159 0.000) 2.159 4.349 ( 0.000 -4.710 0.000) 4.710 4.632 ( 0.000 -4.581 0.000) 4.581 5.693 ( 0.000 9.155 0.000) 9.155 5.764 ( 0.000 0.714 0.000) 0.714 5.844 ( 0.000 -2.672 0.000) 2.672 5.891 ( 0.000 -3.411 0.000) 3.411 5.924 ( 0.000 8.006 0.000) 8.006 5.950 ( 0.000 -2.414 0.000) 2.414 5.993 ( 0.000 4.573 0.000) 4.573 6.021 ( 0.000 -3.959 0.000) 3.959 6.180 ( 0.000 11.083 0.000) 11.083 6.278 ( 0.000 11.308 0.000) 11.308 6.311 ( 0.000 -4.065 0.000) 4.065 6.355 ( 0.000 9.161 0.000) 9.161 6.478 ( 0.000 5.283 0.000) 5.283 6.554 ( 0.000 0.155 0.000) 0.155 6.562 ( 0.000 -0.392 0.000) 0.392 6.599 ( 0.000 3.570 0.000) 3.570 6.702 ( 0.000 4.367 0.000) 4.367 6.712 ( 0.000 0.353 0.000) 0.353 6.750 ( 0.000 -1.257 0.000) 1.257 6.793 ( 0.000 -1.696 0.000) 1.696 6.846 ( 0.000 4.986 0.000) 4.986 6.953 ( 0.000 4.067 0.000) 4.067 7.042 ( 0.000 -5.559 0.000) 5.559 7.141 ( 0.000 0.316 0.000) 0.316 7.160 ( 0.000 3.482 0.000) 3.482 7.170 ( 0.000 1.201 0.000) 1.201 7.226 ( 0.000 3.100 0.000) 3.100 7.341 ( 0.000 1.121 0.000) 1.121 7.612 ( 0.000 0.318 0.000) 0.318 7.704 ( 0.000 1.405 0.000) 1.405 7.734 ( 0.000 2.607 0.000) 2.607 7.758 ( 0.000 0.096 0.000) 0.096 8.218 ( 0.000 -4.196 0.000) 4.196 8.231 ( 0.000 -1.044 0.000) 1.044 8.327 ( 0.000 -4.111 0.000) 4.111 8.357 ( 0.000 -3.585 0.000) 3.585 8.735 ( 0.000 -2.014 0.000) 2.014 8.793 ( 0.000 -3.351 0.000) 3.351 8.964 ( 0.000 -4.510 0.000) 4.510 9.161 ( 0.000 -2.677 0.000) 2.677 9.685 ( 0.000 -2.996 0.000) 2.996 9.733 ( 0.000 -4.329 0.000) 4.329 9.867 ( 0.000 -4.804 0.000) 4.804 10.046 ( 0.000 -7.639 0.000) 7.639 ======================= Grid point 6 (5/63) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 15.926 13.872 0.000) 21.120 0.678 ( 11.109 20.214 0.000) 23.066 1.138 ( 14.916 25.941 0.000) 29.924 1.154 ( -5.843 6.230 0.000) 8.541 1.388 ( 17.949 12.377 0.000) 21.803 1.424 ( -14.271 6.391 0.000) 15.637 1.537 ( -0.678 5.371 0.000) 5.414 1.640 ( 0.591 3.943 0.000) 3.987 1.738 ( -2.236 2.980 0.000) 3.725 1.769 ( 1.623 5.547 0.000) 5.780 1.806 ( -3.050 8.444 0.000) 8.978 1.843 ( -0.486 7.071 0.000) 7.088 1.928 ( 3.034 -2.018 0.000) 3.644 2.014 ( -2.228 9.495 0.000) 9.753 2.232 ( -2.350 9.980 0.000) 10.253 2.292 ( -5.950 2.891 0.000) 6.615 2.391 ( -0.164 12.964 0.000) 12.965 2.417 ( -1.461 4.137 0.000) 4.387 2.475 ( 0.368 -1.366 0.000) 1.415 2.533 ( 5.405 1.282 0.000) 5.555 2.724 ( 0.658 2.476 0.000) 2.562 2.765 ( -1.279 2.312 0.000) 2.642 2.878 ( -1.003 6.013 0.000) 6.097 2.889 ( -4.335 13.354 0.000) 14.040 2.930 ( -3.694 3.669 0.000) 5.206 3.126 ( 1.594 8.808 0.000) 8.951 3.196 ( 3.486 8.151 0.000) 8.865 3.385 ( -10.192 0.592 0.000) 10.209 3.426 ( 2.538 -3.993 0.000) 4.732 3.590 ( -8.091 0.164 0.000) 8.093 3.641 ( 7.550 -3.859 0.000) 8.479 3.818 ( 1.829 -2.861 0.000) 3.395 3.892 ( -0.941 -0.392 0.000) 1.020 4.003 ( 0.896 -4.231 0.000) 4.324 4.134 ( 3.434 -1.573 0.000) 3.778 4.207 ( 3.569 -4.470 0.000) 5.720 4.214 ( -1.951 -5.688 0.000) 6.013 4.319 ( 9.966 -4.157 0.000) 10.798 4.331 ( -1.452 -4.426 0.000) 4.658 4.607 ( -2.452 -4.833 0.000) 5.419 5.710 ( 1.564 9.592 0.000) 9.719 5.775 ( 0.959 0.433 0.000) 1.052 5.826 ( -1.929 0.453 0.000) 1.981 5.849 ( -3.651 3.650 0.000) 5.163 5.947 ( 3.161 0.298 0.000) 3.175 5.963 ( -0.658 2.259 0.000) 2.352 6.010 ( 2.878 2.305 0.000) 3.688 6.057 ( 0.805 1.153 0.000) 1.406 6.135 ( -1.402 12.738 0.000) 12.815 6.281 ( -0.449 9.380 0.000) 9.391 6.284 ( -1.591 2.029 0.000) 2.579 6.413 ( -4.221 2.083 0.000) 4.707 6.422 ( 5.224 2.842 0.000) 5.948 6.583 ( -1.794 2.620 0.000) 3.175 6.611 ( 0.682 2.404 0.000) 2.499 6.631 ( 6.498 -1.688 0.000) 6.713 6.648 ( 2.089 4.739 0.000) 5.179 6.681 ( -1.540 3.359 0.000) 3.696 6.783 ( -1.016 1.240 0.000) 1.603 6.811 ( 2.142 0.168 0.000) 2.148 6.887 ( 4.897 1.813 0.000) 5.222 6.902 ( -4.436 4.681 0.000) 6.449 7.033 ( -0.882 -4.054 0.000) 4.148 7.127 ( -1.293 0.090 0.000) 1.296 7.166 ( 0.468 2.600 0.000) 2.642 7.171 ( -0.207 1.069 0.000) 1.089 7.190 ( -2.613 3.132 0.000) 4.079 7.356 ( 1.467 1.042 0.000) 1.799 7.414 ( -17.983 6.943 0.000) 19.277 7.528 ( -6.920 2.008 0.000) 7.205 7.746 ( 0.872 2.576 0.000) 2.720 7.747 ( 0.892 3.098 0.000) 3.224 8.236 ( 2.429 -2.613 0.000) 3.568 8.247 ( 1.297 -1.252 0.000) 1.803 8.335 ( 0.662 -4.031 0.000) 4.085 8.356 ( -0.288 -3.415 0.000) 3.427 8.736 ( 0.111 -1.604 0.000) 1.608 8.756 ( -1.540 -0.344 0.000) 1.578 8.988 ( 2.081 -4.577 0.000) 5.028 9.104 ( -2.986 -3.184 0.000) 4.365 9.707 ( 0.913 -4.332 0.000) 4.427 9.730 ( -0.279 -4.324 0.000) 4.333 9.884 ( 1.566 -5.074 0.000) 5.310 10.007 ( -3.240 -7.040 0.000) 7.750 ======================= Grid point 7 (6/63) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -8.389 10.640 0.000) 13.550 0.928 ( 8.389 10.640 0.000) 13.550 1.044 ( -17.580 5.521 0.000) 18.427 1.044 ( 17.580 5.521 0.000) 18.427 1.472 ( -14.233 7.550 0.000) 16.111 1.472 ( 14.233 7.550 0.000) 16.111 1.589 ( -1.265 8.963 0.000) 9.052 1.589 ( 1.265 8.963 0.000) 9.052 1.731 ( -2.665 6.323 0.000) 6.861 1.731 ( 2.665 6.323 0.000) 6.861 1.886 ( -5.353 5.413 0.000) 7.612 1.886 ( 5.353 5.413 0.000) 7.612 1.926 ( -10.346 11.695 0.000) 15.614 1.926 ( 10.346 11.695 0.000) 15.614 2.178 ( -0.605 5.204 0.000) 5.239 2.178 ( 0.605 5.204 0.000) 5.239 2.391 ( -0.576 9.411 0.000) 9.429 2.391 ( 0.576 9.411 0.000) 9.429 2.549 ( -4.488 0.234 0.000) 4.494 2.549 ( 4.488 0.234 0.000) 4.494 2.741 ( -0.817 1.746 0.000) 1.928 2.741 ( 0.817 1.746 0.000) 1.928 2.855 ( -0.555 7.628 0.000) 7.648 2.855 ( 0.555 7.628 0.000) 7.648 2.999 ( -9.703 5.114 0.000) 10.968 2.999 ( 9.703 5.114 0.000) 10.968 3.283 ( -3.549 5.693 0.000) 6.709 3.283 ( 3.549 5.693 0.000) 6.709 3.455 ( -1.982 0.290 0.000) 2.003 3.455 ( 1.982 0.290 0.000) 2.003 3.764 ( -4.309 -2.932 0.000) 5.212 3.764 ( 4.309 -2.932 0.000) 5.212 3.961 ( -3.857 -1.161 0.000) 4.028 3.961 ( 3.857 -1.161 0.000) 4.028 4.180 ( -1.296 -5.582 0.000) 5.731 4.180 ( 1.296 -5.582 0.000) 5.731 4.282 ( -3.253 -4.833 0.000) 5.826 4.282 ( 3.253 -4.833 0.000) 5.826 4.512 ( -6.874 -5.148 0.000) 8.588 4.512 ( 6.874 -5.148 0.000) 8.588 5.759 ( -3.029 9.486 0.000) 9.958 5.759 ( 3.029 9.486 0.000) 9.958 5.803 ( -1.583 -0.641 0.000) 1.708 5.803 ( 1.583 -0.641 0.000) 1.708 5.968 ( -0.603 5.387 0.000) 5.421 5.968 ( 0.603 5.387 0.000) 5.421 6.052 ( -1.075 1.545 0.000) 1.882 6.052 ( 1.075 1.545 0.000) 1.882 6.186 ( -4.769 5.917 0.000) 7.600 6.186 ( 4.769 5.917 0.000) 7.600 6.335 ( -2.959 2.906 0.000) 4.147 6.335 ( 2.959 2.906 0.000) 4.147 6.514 ( -3.471 4.445 0.000) 5.640 6.514 ( 3.471 4.445 0.000) 5.640 6.644 ( -1.421 2.253 0.000) 2.664 6.644 ( 1.421 2.253 0.000) 2.664 6.724 ( -1.049 -0.376 0.000) 1.114 6.724 ( 1.049 -0.376 0.000) 1.114 6.782 ( -3.329 2.666 0.000) 4.265 6.782 ( 3.329 2.666 0.000) 4.265 6.976 ( -3.766 -2.199 0.000) 4.361 6.976 ( 3.766 -2.199 0.000) 4.361 6.999 ( -5.221 3.431 0.000) 6.248 6.999 ( 5.221 3.431 0.000) 6.248 7.158 ( -0.190 2.278 0.000) 2.285 7.158 ( 0.190 2.278 0.000) 2.285 7.183 ( -1.925 2.597 0.000) 3.233 7.183 ( 1.925 2.597 0.000) 3.233 7.410 ( -3.867 1.167 0.000) 4.039 7.410 ( 3.867 1.167 0.000) 4.039 7.758 ( -0.047 2.627 0.000) 2.628 7.758 ( 0.047 2.627 0.000) 2.628 8.267 ( -0.037 -1.978 0.000) 1.979 8.267 ( 0.037 -1.978 0.000) 1.979 8.348 ( -0.445 -3.719 0.000) 3.745 8.348 ( 0.445 -3.719 0.000) 3.745 8.739 ( -0.273 -0.735 0.000) 0.784 8.739 ( 0.273 -0.735 0.000) 0.784 9.043 ( -2.837 -4.430 0.000) 5.260 9.043 ( 2.837 -4.430 0.000) 5.260 9.721 ( -0.519 -4.328 0.000) 4.359 9.721 ( 0.519 -4.328 0.000) 4.359 9.934 ( -3.116 -5.890 0.000) 6.664 9.934 ( 3.116 -5.890 0.000) 6.664 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.000 23.194 0.000) 23.194 1.051 ( 0.000 25.053 0.000) 25.053 1.284 ( 0.000 9.739 0.000) 9.739 1.385 ( 0.000 10.767 0.000) 10.767 1.677 ( 0.000 6.275 0.000) 6.275 1.693 ( 0.000 2.595 0.000) 2.595 1.763 ( 0.000 -1.158 0.000) 1.158 1.768 ( 0.000 41.189 0.000) 41.189 1.806 ( 0.000 11.657 0.000) 11.657 1.859 ( 0.000 6.327 0.000) 6.327 1.929 ( 0.000 13.765 0.000) 13.765 2.032 ( 0.000 9.918 0.000) 9.918 2.043 ( 0.000 11.378 0.000) 11.378 2.230 ( 0.000 5.777 0.000) 5.777 2.360 ( 0.000 1.791 0.000) 1.791 2.428 ( 0.000 4.996 0.000) 4.996 2.457 ( 0.000 1.048 0.000) 1.048 2.537 ( 0.000 4.925 0.000) 4.925 2.551 ( 0.000 13.289 0.000) 13.289 2.750 ( 0.000 17.632 0.000) 17.632 2.790 ( 0.000 4.110 0.000) 4.110 2.935 ( 0.000 14.970 0.000) 14.970 3.011 ( 0.000 5.869 0.000) 5.869 3.159 ( 0.000 9.691 0.000) 9.691 3.241 ( 0.000 3.109 0.000) 3.109 3.302 ( 0.000 17.536 0.000) 17.536 3.331 ( 0.000 13.514 0.000) 13.514 3.438 ( 0.000 -3.554 0.000) 3.554 3.449 ( 0.000 9.595 0.000) 9.595 3.528 ( 0.000 -1.607 0.000) 1.607 3.620 ( 0.000 -4.684 0.000) 4.684 3.700 ( 0.000 -1.140 0.000) 1.140 3.896 ( 0.000 -4.820 0.000) 4.820 3.961 ( 0.000 -2.956 0.000) 2.956 4.028 ( 0.000 0.633 0.000) 0.633 4.106 ( 0.000 1.602 0.000) 1.602 4.152 ( 0.000 -3.222 0.000) 3.222 4.194 ( 0.000 -1.782 0.000) 1.782 4.222 ( 0.000 -8.051 0.000) 8.051 4.507 ( 0.000 -7.993 0.000) 7.993 5.774 ( 0.000 -4.091 0.000) 4.091 5.780 ( 0.000 0.697 0.000) 0.697 5.788 ( 0.000 -0.782 0.000) 0.782 5.813 ( 0.000 -4.758 0.000) 4.758 5.901 ( 0.000 -2.267 0.000) 2.267 5.946 ( 0.000 -3.617 0.000) 3.617 6.114 ( 0.000 10.264 0.000) 10.264 6.153 ( 0.000 9.705 0.000) 9.705 6.283 ( 0.000 2.354 0.000) 2.354 6.407 ( 0.000 10.130 0.000) 10.130 6.533 ( 0.000 12.673 0.000) 12.673 6.554 ( 0.000 -0.237 0.000) 0.237 6.554 ( 0.000 9.571 0.000) 9.571 6.563 ( 0.000 0.885 0.000) 0.885 6.575 ( 0.000 4.572 0.000) 4.572 6.627 ( 0.000 -2.108 0.000) 2.108 6.750 ( 0.000 3.350 0.000) 3.350 6.774 ( 0.000 4.763 0.000) 4.763 6.777 ( 0.000 2.094 0.000) 2.094 6.788 ( 0.000 4.710 0.000) 4.710 6.943 ( 0.000 -4.034 0.000) 4.034 6.963 ( 0.000 6.905 0.000) 6.905 7.020 ( 0.000 2.655 0.000) 2.655 7.196 ( 0.000 1.384 0.000) 1.384 7.196 ( 0.000 6.151 0.000) 6.151 7.268 ( 0.000 7.036 0.000) 7.036 7.276 ( 0.000 2.348 0.000) 2.348 7.364 ( 0.000 1.090 0.000) 1.090 7.619 ( 0.000 0.412 0.000) 0.412 7.753 ( 0.000 3.636 0.000) 3.636 7.761 ( 0.000 0.260 0.000) 0.260 7.799 ( 0.000 3.441 0.000) 3.441 8.110 ( 0.000 -6.422 0.000) 6.422 8.189 ( 0.000 -3.443 0.000) 3.443 8.217 ( 0.000 -6.799 0.000) 6.799 8.262 ( 0.000 -5.812 0.000) 5.812 8.689 ( 0.000 -2.317 0.000) 2.317 8.700 ( 0.000 -6.033 0.000) 6.033 8.856 ( 0.000 -5.909 0.000) 5.909 9.084 ( 0.000 -5.144 0.000) 5.144 9.604 ( 0.000 -5.208 0.000) 5.208 9.619 ( 0.000 -6.997 0.000) 6.997 9.740 ( 0.000 -7.934 0.000) 7.934 9.853 ( 0.000 -11.513 0.000) 11.513 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 3.894 20.532 0.000) 20.898 1.106 ( 4.708 22.457 0.000) 22.945 1.336 ( -2.162 11.578 0.000) 11.778 1.421 ( 7.586 9.872 0.000) 12.450 1.529 ( -15.085 4.726 0.000) 15.808 1.666 ( 1.337 7.117 0.000) 7.241 1.744 ( -0.246 4.472 0.000) 4.479 1.845 ( 2.004 10.148 0.000) 10.344 1.850 ( 0.835 13.946 0.000) 13.971 1.922 ( 5.788 17.790 0.000) 18.708 1.973 ( -3.244 8.411 0.000) 9.015 1.983 ( 2.272 5.393 0.000) 5.852 2.071 ( 4.918 20.064 0.000) 20.658 2.223 ( -0.672 9.646 0.000) 9.669 2.347 ( 0.404 5.994 0.000) 6.008 2.398 ( -4.793 5.044 0.000) 6.958 2.471 ( 2.279 3.520 0.000) 4.193 2.553 ( -0.249 7.177 0.000) 7.182 2.580 ( 2.946 3.732 0.000) 4.755 2.689 ( -3.085 9.331 0.000) 9.828 2.832 ( 1.709 12.170 0.000) 12.289 2.909 ( -2.264 14.177 0.000) 14.357 3.017 ( 1.418 7.279 0.000) 7.416 3.058 ( -3.072 9.409 0.000) 9.898 3.191 ( -7.957 16.335 0.000) 18.170 3.322 ( -5.622 8.367 0.000) 10.080 3.379 ( 5.087 7.549 0.000) 9.103 3.409 ( 2.331 4.051 0.000) 4.674 3.421 ( -2.010 5.419 0.000) 5.780 3.575 ( 6.870 -0.866 0.000) 6.924 3.599 ( -4.045 0.760 0.000) 4.115 3.745 ( 1.326 -3.960 0.000) 4.176 3.898 ( -0.637 1.132 0.000) 1.299 3.920 ( 1.653 -4.677 0.000) 4.961 4.097 ( -0.527 -1.647 0.000) 1.729 4.138 ( -3.533 -2.986 0.000) 4.626 4.146 ( 3.085 -1.243 0.000) 3.326 4.210 ( 7.576 -6.648 0.000) 10.079 4.226 ( -0.692 -5.980 0.000) 6.020 4.478 ( -2.900 -8.212 0.000) 8.709 5.773 ( -0.179 -3.541 0.000) 3.545 5.775 ( -0.461 -1.086 0.000) 1.179 5.794 ( 0.724 -0.414 0.000) 0.834 5.833 ( 0.026 -4.094 0.000) 4.094 5.936 ( 4.669 -0.931 0.000) 4.761 5.999 ( 4.582 0.071 0.000) 4.582 6.142 ( 1.592 8.608 0.000) 8.754 6.142 ( -2.067 4.648 0.000) 5.086 6.325 ( 3.188 5.515 0.000) 6.370 6.390 ( -1.367 10.129 0.000) 10.221 6.430 ( -6.246 1.510 0.000) 6.426 6.488 ( -4.528 10.525 0.000) 11.457 6.565 ( 2.220 7.242 0.000) 7.575 6.581 ( 1.331 -0.889 0.000) 1.601 6.605 ( 3.354 -0.350 0.000) 3.372 6.726 ( 1.605 4.206 0.000) 4.502 6.732 ( -0.372 6.463 0.000) 6.474 6.740 ( -1.099 4.649 0.000) 4.777 6.810 ( 3.814 0.634 0.000) 3.866 6.845 ( 3.680 3.878 0.000) 5.347 6.956 ( -0.112 6.137 0.000) 6.138 6.967 ( 2.290 -2.046 0.000) 3.071 6.999 ( -2.530 4.250 0.000) 4.946 7.167 ( -2.063 3.335 0.000) 3.921 7.209 ( 0.336 3.987 0.000) 4.001 7.231 ( -1.916 3.445 0.000) 3.942 7.266 ( -1.232 5.653 0.000) 5.785 7.377 ( 1.321 0.898 0.000) 1.597 7.485 ( -12.613 2.260 0.000) 12.814 7.573 ( -8.684 2.156 0.000) 8.948 7.813 ( 1.008 3.733 0.000) 3.867 7.821 ( 1.177 4.245 0.000) 4.405 8.148 ( 2.875 -5.941 0.000) 6.600 8.197 ( 0.488 -4.164 0.000) 4.193 8.228 ( 0.919 -6.572 0.000) 6.636 8.262 ( -0.259 -6.007 0.000) 6.012 8.698 ( 0.664 -2.148 0.000) 2.248 8.703 ( 0.288 -4.783 0.000) 4.792 8.879 ( 2.089 -5.920 0.000) 6.277 9.029 ( -4.146 -4.498 0.000) 6.117 9.606 ( 0.211 -5.835 0.000) 5.839 9.617 ( -0.181 -6.893 0.000) 6.895 9.750 ( 0.982 -8.263 0.000) 8.321 9.828 ( -2.075 -10.746 0.000) 10.944 ======================= Grid point 12 (9/63) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -12.021 12.362 0.000) 17.243 1.165 ( 12.021 12.362 0.000) 17.243 1.245 ( -2.426 15.002 0.000) 15.197 1.245 ( 2.426 15.002 0.000) 15.197 1.613 ( -8.773 7.406 0.000) 11.481 1.613 ( 8.773 7.406 0.000) 11.481 1.771 ( -5.901 8.164 0.000) 10.073 1.771 ( 5.901 8.164 0.000) 10.073 1.911 ( -3.516 12.069 0.000) 12.571 1.911 ( 3.516 12.069 0.000) 12.571 1.983 ( -2.252 3.871 0.000) 4.478 1.983 ( 2.252 3.871 0.000) 4.478 2.250 ( -1.404 16.648 0.000) 16.707 2.250 ( 1.404 16.648 0.000) 16.707 2.306 ( -1.543 10.382 0.000) 10.496 2.306 ( 1.543 10.382 0.000) 10.496 2.520 ( -2.326 2.117 0.000) 3.145 2.520 ( 2.326 2.117 0.000) 3.145 2.636 ( -2.124 6.286 0.000) 6.635 2.636 ( 2.124 6.286 0.000) 6.635 2.862 ( -1.655 13.578 0.000) 13.679 2.862 ( 1.655 13.578 0.000) 13.679 3.059 ( -3.219 12.420 0.000) 12.831 3.059 ( 3.219 12.420 0.000) 12.831 3.125 ( -8.823 7.436 0.000) 11.539 3.125 ( 8.823 7.436 0.000) 11.539 3.431 ( -0.798 9.328 0.000) 9.362 3.431 ( 0.798 9.328 0.000) 9.362 3.497 ( -4.328 4.176 0.000) 6.014 3.497 ( 4.328 4.176 0.000) 6.014 3.701 ( -4.476 -2.508 0.000) 5.131 3.701 ( 4.476 -2.508 0.000) 5.131 3.928 ( -1.449 -2.244 0.000) 2.671 3.928 ( 1.449 -2.244 0.000) 2.671 4.090 ( -0.472 -2.966 0.000) 3.003 4.090 ( 0.472 -2.966 0.000) 3.003 4.194 ( -2.050 -4.301 0.000) 4.764 4.194 ( 2.050 -4.301 0.000) 4.764 4.377 ( -6.605 -8.332 0.000) 10.632 4.377 ( 6.605 -8.332 0.000) 10.632 5.769 ( -0.009 -2.540 0.000) 2.540 5.769 ( 0.009 -2.540 0.000) 2.540 5.815 ( -1.149 -1.276 0.000) 1.717 5.815 ( 1.149 -1.276 0.000) 1.717 6.056 ( -4.757 1.134 0.000) 4.891 6.056 ( 4.757 1.134 0.000) 4.891 6.117 ( -4.166 3.700 0.000) 5.572 6.117 ( 4.166 3.700 0.000) 5.572 6.363 ( -0.569 10.115 0.000) 10.131 6.363 ( 0.569 10.115 0.000) 10.131 6.390 ( -2.687 3.909 0.000) 4.744 6.390 ( 2.687 3.909 0.000) 4.744 6.598 ( -0.122 0.408 0.000) 0.426 6.598 ( 0.122 0.408 0.000) 0.426 6.684 ( -2.931 4.276 0.000) 5.184 6.684 ( 2.931 4.276 0.000) 5.184 6.745 ( -0.759 4.585 0.000) 4.647 6.745 ( 0.759 4.585 0.000) 4.647 6.909 ( -5.105 4.969 0.000) 7.124 6.909 ( 5.105 4.969 0.000) 7.124 6.945 ( -2.891 2.181 0.000) 3.621 6.945 ( 2.891 2.181 0.000) 3.621 7.061 ( -7.732 3.169 0.000) 8.356 7.061 ( 7.732 3.169 0.000) 8.356 7.212 ( -0.057 3.225 0.000) 3.225 7.212 ( 0.057 3.225 0.000) 3.225 7.264 ( -3.344 6.125 0.000) 6.978 7.264 ( 3.344 6.125 0.000) 6.978 7.434 ( -4.452 1.234 0.000) 4.619 7.434 ( 4.452 1.234 0.000) 4.619 7.829 ( -0.311 4.261 0.000) 4.272 7.829 ( 0.311 4.261 0.000) 4.272 8.195 ( -1.054 -5.394 0.000) 5.496 8.195 ( 1.054 -5.394 0.000) 5.496 8.249 ( -0.879 -6.214 0.000) 6.276 8.249 ( 0.879 -6.214 0.000) 6.276 8.707 ( -0.069 -2.791 0.000) 2.792 8.707 ( 0.069 -2.791 0.000) 2.792 8.942 ( -3.694 -5.267 0.000) 6.433 8.942 ( 3.694 -5.267 0.000) 6.433 9.612 ( -0.272 -6.543 0.000) 6.549 9.612 ( 0.272 -6.543 0.000) 6.549 9.781 ( -1.943 -9.277 0.000) 9.479 9.781 ( 1.943 -9.277 0.000) 9.479 ======================= Grid point 15 (10/63) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.000 19.356 0.000) 19.356 1.483 ( 0.000 10.492 0.000) 10.492 1.497 ( 0.000 20.220 0.000) 20.220 1.608 ( 0.000 11.568 0.000) 11.568 1.744 ( 0.000 2.914 0.000) 2.914 1.757 ( 0.000 3.234 0.000) 3.234 1.856 ( 0.000 8.764 0.000) 8.764 1.999 ( 0.000 8.419 0.000) 8.419 2.055 ( 0.000 12.393 0.000) 12.393 2.148 ( 0.000 7.745 0.000) 7.745 2.195 ( 0.000 8.753 0.000) 8.753 2.218 ( 0.000 9.011 0.000) 9.011 2.257 ( 0.000 0.337 0.000) 0.337 2.447 ( 0.000 7.536 0.000) 7.536 2.474 ( 0.000 0.754 0.000) 0.754 2.543 ( 0.000 31.091 0.000) 31.091 2.638 ( 0.000 5.195 0.000) 5.195 2.663 ( 0.000 14.983 0.000) 14.983 2.696 ( 0.000 2.596 0.000) 2.596 2.849 ( 0.000 1.435 0.000) 1.435 3.017 ( 0.000 7.732 0.000) 7.732 3.084 ( 0.000 0.558 0.000) 0.558 3.215 ( 0.000 3.283 0.000) 3.283 3.328 ( 0.000 6.805 0.000) 6.805 3.368 ( 0.000 16.073 0.000) 16.073 3.469 ( 0.000 -5.016 0.000) 5.016 3.500 ( 0.000 12.597 0.000) 12.597 3.520 ( 0.000 -2.049 0.000) 2.049 3.547 ( 0.000 7.588 0.000) 7.588 3.656 ( 0.000 16.450 0.000) 16.450 3.678 ( 0.000 9.613 0.000) 9.613 3.734 ( 0.000 5.164 0.000) 5.164 3.830 ( 0.000 3.581 0.000) 3.581 3.958 ( 0.000 3.671 0.000) 3.671 4.045 ( 0.000 0.165 0.000) 0.165 4.050 ( 0.000 -9.077 0.000) 9.077 4.133 ( 0.000 2.666 0.000) 2.666 4.155 ( 0.000 3.448 0.000) 3.448 4.179 ( 0.000 0.133 0.000) 0.133 4.336 ( 0.000 -9.021 0.000) 9.021 5.699 ( 0.000 -3.391 0.000) 3.391 5.713 ( 0.000 -5.105 0.000) 5.105 5.730 ( 0.000 -3.664 0.000) 3.664 5.778 ( 0.000 -1.225 0.000) 1.225 5.871 ( 0.000 -0.733 0.000) 0.733 5.897 ( 0.000 -0.920 0.000) 0.920 6.203 ( 0.000 -1.536 0.000) 1.536 6.274 ( 0.000 4.776 0.000) 4.776 6.420 ( 0.000 5.573 0.000) 5.573 6.501 ( 0.000 0.552 0.000) 0.552 6.551 ( 0.000 -2.646 0.000) 2.646 6.574 ( 0.000 -4.022 0.000) 4.022 6.577 ( 0.000 1.270 0.000) 1.270 6.615 ( 0.000 5.321 0.000) 5.321 6.664 ( 0.000 3.221 0.000) 3.221 6.759 ( 0.000 8.307 0.000) 8.307 6.860 ( 0.000 8.290 0.000) 8.290 6.871 ( 0.000 3.382 0.000) 3.382 6.875 ( 0.000 4.218 0.000) 4.218 6.900 ( 0.000 1.167 0.000) 1.167 6.959 ( 0.000 12.118 0.000) 12.118 7.085 ( 0.000 4.645 0.000) 4.645 7.088 ( 0.000 5.207 0.000) 5.207 7.226 ( 0.000 1.922 0.000) 1.922 7.336 ( 0.000 4.204 0.000) 4.204 7.369 ( 0.000 10.276 0.000) 10.276 7.379 ( 0.000 0.624 0.000) 0.624 7.406 ( 0.000 6.649 0.000) 6.649 7.630 ( 0.000 0.608 0.000) 0.608 7.771 ( 0.000 0.897 0.000) 0.897 7.829 ( 0.000 -1.425 0.000) 1.425 7.836 ( 0.000 4.298 0.000) 4.298 7.990 ( 0.000 -5.371 0.000) 5.371 8.088 ( 0.000 -5.545 0.000) 5.545 8.094 ( 0.000 -6.153 0.000) 6.153 8.148 ( 0.000 -5.368 0.000) 5.368 8.577 ( 0.000 -6.045 0.000) 6.045 8.657 ( 0.000 -0.768 0.000) 0.768 8.761 ( 0.000 -3.423 0.000) 3.423 8.964 ( 0.000 -7.165 0.000) 7.165 9.477 ( 0.000 -7.176 0.000) 7.176 9.492 ( 0.000 -6.095 0.000) 6.095 9.575 ( 0.000 -8.537 0.000) 8.537 9.627 ( 0.000 -11.158 0.000) 11.158 ======================= Grid point 16 (11/63) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -0.344 18.498 0.000) 18.502 1.515 ( 1.557 18.704 0.000) 18.769 1.559 ( 2.597 10.422 0.000) 10.741 1.628 ( 3.695 11.651 0.000) 12.223 1.634 ( -10.438 6.396 0.000) 12.242 1.779 ( 3.302 4.271 0.000) 5.399 1.857 ( -0.164 7.945 0.000) 7.946 2.005 ( 0.829 7.590 0.000) 7.635 2.062 ( -0.288 6.422 0.000) 6.429 2.101 ( -6.766 6.883 0.000) 9.652 2.102 ( 0.464 11.086 0.000) 11.096 2.214 ( -1.639 10.886 0.000) 11.009 2.319 ( 1.988 1.376 0.000) 2.418 2.459 ( -1.619 1.853 0.000) 2.460 2.521 ( 5.935 9.936 0.000) 11.573 2.581 ( -2.153 9.279 0.000) 9.525 2.621 ( -3.400 8.770 0.000) 9.406 2.635 ( 0.881 16.487 0.000) 16.510 2.677 ( 2.409 4.832 0.000) 5.399 2.776 ( -2.860 3.931 0.000) 4.861 3.102 ( 0.045 2.534 0.000) 2.534 3.119 ( 4.805 11.807 0.000) 12.747 3.213 ( 3.229 10.183 0.000) 10.683 3.326 ( -2.060 17.542 0.000) 17.662 3.334 ( -6.258 -0.675 0.000) 6.295 3.420 ( 6.102 2.250 0.000) 6.504 3.503 ( -4.802 8.697 0.000) 9.935 3.587 ( 5.178 13.101 0.000) 14.087 3.590 ( -0.355 0.881 0.000) 0.950 3.649 ( 0.947 14.432 0.000) 14.463 3.692 ( 1.320 6.276 0.000) 6.414 3.735 ( 0.197 3.611 0.000) 3.616 3.854 ( 2.174 2.935 0.000) 3.652 3.944 ( -1.240 4.233 0.000) 4.411 4.048 ( -0.132 -6.354 0.000) 6.355 4.076 ( 1.714 -3.881 0.000) 4.242 4.110 ( -0.862 1.129 0.000) 1.421 4.157 ( -1.634 -0.454 0.000) 1.696 4.159 ( 0.574 2.643 0.000) 2.705 4.306 ( -2.850 -8.668 0.000) 9.124 5.705 ( 0.383 -3.208 0.000) 3.231 5.722 ( -0.493 -3.131 0.000) 3.170 5.743 ( 2.104 -4.468 0.000) 4.938 5.781 ( 0.147 -1.045 0.000) 1.055 5.922 ( 4.904 -0.397 0.000) 4.920 5.975 ( 6.551 -1.430 0.000) 6.705 6.165 ( -3.565 -1.033 0.000) 3.711 6.255 ( -2.964 1.633 0.000) 3.384 6.428 ( -2.221 2.103 0.000) 3.059 6.439 ( 1.080 2.983 0.000) 3.172 6.552 ( -0.305 -1.784 0.000) 1.810 6.559 ( -1.438 -3.889 0.000) 4.146 6.565 ( -1.297 4.164 0.000) 4.361 6.644 ( 1.819 5.718 0.000) 6.001 6.689 ( -3.553 6.990 0.000) 7.841 6.757 ( 5.397 0.781 0.000) 5.453 6.839 ( -1.989 3.091 0.000) 3.676 6.872 ( -0.792 3.496 0.000) 3.585 6.890 ( 1.980 7.765 0.000) 8.013 6.946 ( 3.342 1.746 0.000) 3.770 6.989 ( 3.273 10.582 0.000) 11.076 7.082 ( -0.377 5.678 0.000) 5.691 7.090 ( 0.401 5.570 0.000) 5.584 7.215 ( -1.290 2.375 0.000) 2.703 7.302 ( -2.390 4.205 0.000) 4.837 7.352 ( -1.755 8.614 0.000) 8.791 7.391 ( 1.420 0.693 0.000) 1.580 7.405 ( 0.070 7.885 0.000) 7.885 7.538 ( -7.790 3.565 0.000) 8.568 7.615 ( -8.558 2.497 0.000) 8.915 7.856 ( 2.084 -0.399 0.000) 2.121 7.900 ( 1.554 3.334 0.000) 3.678 8.026 ( 2.653 -6.225 0.000) 6.766 8.089 ( -0.084 -5.984 0.000) 5.985 8.102 ( 0.664 -6.211 0.000) 6.246 8.141 ( -0.698 -5.764 0.000) 5.806 8.598 ( 1.794 -5.263 0.000) 5.560 8.659 ( -0.190 -1.633 0.000) 1.644 8.785 ( 2.336 -3.338 0.000) 4.074 8.929 ( -2.980 -5.804 0.000) 6.525 9.478 ( 0.054 -7.041 0.000) 7.042 9.487 ( -0.366 -6.263 0.000) 6.274 9.581 ( 0.477 -8.738 0.000) 8.751 9.615 ( -0.933 -10.539 0.000) 10.581 ======================= Grid point 17 (12/63) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -8.013 13.266 0.000) 15.498 1.416 ( 8.013 13.266 0.000) 15.498 1.553 ( -1.651 15.078 0.000) 15.168 1.553 ( 1.651 15.078 0.000) 15.168 1.756 ( -6.084 7.281 0.000) 9.489 1.756 ( 6.084 7.281 0.000) 9.489 1.926 ( -7.463 7.996 0.000) 10.937 1.926 ( 7.463 7.996 0.000) 10.937 2.050 ( -1.414 3.891 0.000) 4.140 2.050 ( 1.414 3.891 0.000) 4.140 2.154 ( -3.454 12.129 0.000) 12.611 2.154 ( 3.454 12.129 0.000) 12.611 2.382 ( -4.644 2.999 0.000) 5.528 2.382 ( 4.644 2.999 0.000) 5.528 2.537 ( -1.083 1.214 0.000) 1.627 2.537 ( 1.083 1.214 0.000) 1.627 2.651 ( -2.526 14.394 0.000) 14.614 2.651 ( 2.526 14.394 0.000) 14.614 2.731 ( -2.157 5.486 0.000) 5.895 2.731 ( 2.157 5.486 0.000) 5.895 3.126 ( -2.667 6.808 0.000) 7.312 3.126 ( 2.667 6.808 0.000) 7.312 3.288 ( -1.036 14.729 0.000) 14.765 3.288 ( 1.036 14.729 0.000) 14.765 3.350 ( -7.864 12.663 0.000) 14.906 3.350 ( 7.864 12.663 0.000) 14.906 3.537 ( -4.267 1.008 0.000) 4.384 3.537 ( 4.267 1.008 0.000) 4.384 3.656 ( -1.071 13.285 0.000) 13.328 3.656 ( 1.071 13.285 0.000) 13.328 3.727 ( -1.346 2.582 0.000) 2.912 3.727 ( 1.346 2.582 0.000) 2.912 3.907 ( -2.299 3.002 0.000) 3.781 3.907 ( 2.299 3.002 0.000) 3.781 4.055 ( -1.144 -1.284 0.000) 1.720 4.055 ( 1.144 -1.284 0.000) 1.720 4.129 ( -0.838 -1.867 0.000) 2.046 4.129 ( 0.838 -1.867 0.000) 2.046 4.221 ( -4.644 -5.866 0.000) 7.482 4.221 ( 4.644 -5.866 0.000) 7.482 5.712 ( -0.400 -2.858 0.000) 2.886 5.712 ( 0.400 -2.858 0.000) 2.886 5.777 ( -0.794 -2.256 0.000) 2.392 5.777 ( 0.794 -2.256 0.000) 2.392 6.055 ( -6.442 -0.620 0.000) 6.472 6.055 ( 6.442 -0.620 0.000) 6.472 6.134 ( -7.387 -1.151 0.000) 7.477 6.134 ( 7.387 -1.151 0.000) 7.477 6.441 ( -1.347 1.833 0.000) 2.275 6.441 ( 1.347 1.833 0.000) 2.275 6.527 ( -0.278 1.783 0.000) 1.805 6.527 ( 0.278 1.783 0.000) 1.805 6.583 ( -2.522 2.121 0.000) 3.295 6.583 ( 2.522 2.121 0.000) 3.295 6.752 ( -4.142 3.078 0.000) 5.160 6.752 ( 4.142 3.078 0.000) 5.160 6.853 ( -1.395 2.391 0.000) 2.768 6.853 ( 1.395 2.391 0.000) 2.768 6.951 ( -2.733 4.706 0.000) 5.441 6.951 ( 2.733 4.706 0.000) 5.441 7.071 ( -1.290 6.136 0.000) 6.270 7.071 ( 1.290 6.136 0.000) 6.270 7.143 ( -5.682 5.617 0.000) 7.989 7.143 ( 5.682 5.617 0.000) 7.989 7.288 ( -2.247 4.738 0.000) 5.244 7.288 ( 2.247 4.738 0.000) 5.244 7.416 ( -2.017 8.139 0.000) 8.385 7.416 ( 2.017 8.139 0.000) 8.385 7.463 ( -5.382 2.610 0.000) 5.981 7.463 ( 5.382 2.610 0.000) 5.981 7.897 ( -1.386 1.790 0.000) 2.264 7.897 ( 1.386 1.790 0.000) 2.264 8.074 ( -1.506 -6.576 0.000) 6.746 8.074 ( 1.506 -6.576 0.000) 6.746 8.121 ( -1.020 -6.189 0.000) 6.273 8.121 ( 1.020 -6.189 0.000) 6.273 8.639 ( -1.672 -3.535 0.000) 3.910 8.639 ( 1.672 -3.535 0.000) 3.910 8.853 ( -3.726 -3.872 0.000) 5.373 8.853 ( 3.726 -3.872 0.000) 5.373 9.480 ( -0.208 -6.688 0.000) 6.691 9.480 ( 0.208 -6.688 0.000) 6.691 9.595 ( -0.850 -9.415 0.000) 9.454 9.595 ( 0.850 -9.415 0.000) 9.454 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.000 11.421 0.000) 11.421 1.685 ( 0.000 10.210 0.000) 10.210 1.787 ( 0.000 7.842 0.000) 7.842 1.806 ( 0.000 3.299 0.000) 3.299 1.831 ( 0.000 11.791 0.000) 11.791 1.873 ( 0.000 9.460 0.000) 9.460 2.038 ( 0.000 9.792 0.000) 9.792 2.162 ( 0.000 -0.154 0.000) 0.154 2.193 ( 0.000 11.376 0.000) 11.376 2.289 ( 0.000 3.324 0.000) 3.324 2.316 ( 0.000 3.404 0.000) 3.404 2.333 ( 0.000 10.233 0.000) 10.233 2.370 ( 0.000 6.138 0.000) 6.138 2.485 ( 0.000 0.304 0.000) 0.304 2.607 ( 0.000 7.302 0.000) 7.302 2.688 ( 0.000 -2.619 0.000) 2.619 2.718 ( 0.000 2.347 0.000) 2.347 2.839 ( 0.000 -2.287 0.000) 2.287 2.846 ( 0.000 -0.721 0.000) 0.721 2.935 ( 0.000 11.187 0.000) 11.187 3.008 ( 0.000 -5.883 0.000) 5.883 3.128 ( 0.000 6.316 0.000) 6.316 3.228 ( 0.000 -0.470 0.000) 0.470 3.345 ( 0.000 -6.580 0.000) 6.580 3.451 ( 0.000 -5.219 0.000) 5.219 3.537 ( 0.000 9.796 0.000) 9.796 3.554 ( 0.000 5.214 0.000) 5.214 3.675 ( 0.000 6.633 0.000) 6.633 3.771 ( 0.000 10.554 0.000) 10.554 3.824 ( 0.000 3.099 0.000) 3.099 3.896 ( 0.000 13.255 0.000) 13.255 3.943 ( 0.000 11.395 0.000) 11.395 3.947 ( 0.000 4.810 0.000) 4.810 4.040 ( 0.000 -0.196 0.000) 0.196 4.092 ( 0.000 7.432 0.000) 7.432 4.118 ( 0.000 20.001 0.000) 20.001 4.195 ( 0.000 1.681 0.000) 1.681 4.197 ( 0.000 -3.627 0.000) 3.627 4.252 ( 0.000 7.444 0.000) 7.444 4.261 ( 0.000 9.974 0.000) 9.974 5.632 ( 0.000 -2.944 0.000) 2.944 5.650 ( 0.000 -1.503 0.000) 1.503 5.677 ( 0.000 -1.463 0.000) 1.463 5.745 ( 0.000 -1.527 0.000) 1.527 5.875 ( 0.000 1.203 0.000) 1.203 5.908 ( 0.000 1.653 0.000) 1.653 6.158 ( 0.000 -2.646 0.000) 2.646 6.280 ( 0.000 -3.240 0.000) 3.240 6.452 ( 0.000 -0.808 0.000) 0.808 6.471 ( 0.000 -5.695 0.000) 5.695 6.485 ( 0.000 -1.654 0.000) 1.654 6.487 ( 0.000 -3.091 0.000) 3.091 6.668 ( 0.000 6.551 0.000) 6.551 6.696 ( 0.000 0.665 0.000) 0.665 6.712 ( 0.000 2.769 0.000) 2.769 6.877 ( 0.000 4.576 0.000) 4.576 6.915 ( 0.000 0.013 0.000) 0.013 6.917 ( 0.000 0.345 0.000) 0.345 6.944 ( 0.000 4.807 0.000) 4.807 7.024 ( 0.000 7.521 0.000) 7.521 7.154 ( 0.000 1.517 0.000) 1.517 7.184 ( 0.000 9.445 0.000) 9.445 7.192 ( 0.000 5.794 0.000) 5.794 7.270 ( 0.000 2.265 0.000) 2.265 7.371 ( 0.000 -0.200 0.000) 0.200 7.466 ( 0.000 7.642 0.000) 7.642 7.504 ( 0.000 2.645 0.000) 2.645 7.536 ( 0.000 5.847 0.000) 5.847 7.640 ( 0.000 0.276 0.000) 0.276 7.743 ( 0.000 -5.701 0.000) 5.701 7.802 ( 0.000 2.269 0.000) 2.269 7.893 ( 0.000 1.090 0.000) 1.090 7.924 ( 0.000 -0.994 0.000) 0.994 7.963 ( 0.000 -6.927 0.000) 6.927 8.013 ( 0.000 -2.931 0.000) 2.931 8.080 ( 0.000 -1.167 0.000) 1.167 8.485 ( 0.000 -3.021 0.000) 3.021 8.659 ( 0.000 0.895 0.000) 0.895 8.727 ( 0.000 -0.272 0.000) 0.272 8.813 ( 0.000 -8.119 0.000) 8.119 9.354 ( 0.000 -5.239 0.000) 5.239 9.377 ( 0.000 -5.474 0.000) 5.474 9.422 ( 0.000 -6.992 0.000) 6.992 9.437 ( 0.000 -8.126 0.000) 8.126 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -1.069 13.296 0.000) 13.338 1.734 ( 2.695 7.613 0.000) 8.076 1.748 ( -4.000 6.881 0.000) 7.960 1.802 ( -0.876 6.742 0.000) 6.799 1.857 ( 2.365 11.410 0.000) 11.653 1.889 ( 2.570 8.660 0.000) 9.033 2.024 ( -0.365 9.190 0.000) 9.198 2.149 ( -0.255 3.592 0.000) 3.601 2.177 ( -1.402 10.089 0.000) 10.186 2.220 ( -6.592 5.157 0.000) 8.370 2.301 ( 0.903 4.235 0.000) 4.331 2.361 ( 2.239 6.878 0.000) 7.234 2.383 ( -0.433 5.556 0.000) 5.572 2.480 ( 0.109 0.213 0.000) 0.239 2.557 ( -7.300 -2.597 0.000) 7.748 2.653 ( -3.753 1.253 0.000) 3.956 2.706 ( 1.145 3.144 0.000) 3.346 2.753 ( 2.178 2.883 0.000) 3.613 2.924 ( -2.392 9.156 0.000) 9.463 2.929 ( 1.966 5.409 0.000) 5.755 3.096 ( 0.624 -1.963 0.000) 2.060 3.156 ( 7.701 -7.114 0.000) 10.484 3.299 ( 3.982 1.163 0.000) 4.149 3.307 ( -1.993 -0.546 0.000) 2.066 3.524 ( 6.234 -4.114 0.000) 7.469 3.563 ( 2.194 8.998 0.000) 9.262 3.614 ( 4.343 0.855 0.000) 4.427 3.656 ( -1.753 7.891 0.000) 8.084 3.787 ( -3.170 2.438 0.000) 3.999 3.804 ( 2.808 10.731 0.000) 11.092 3.818 ( -4.787 9.394 0.000) 10.544 3.940 ( -1.356 11.647 0.000) 11.726 3.984 ( 1.323 7.044 0.000) 7.167 4.022 ( -1.188 0.832 0.000) 1.450 4.081 ( -0.400 6.128 0.000) 6.141 4.137 ( 0.569 14.151 0.000) 14.162 4.160 ( -1.214 2.153 0.000) 2.472 4.212 ( 0.674 2.858 0.000) 2.937 4.221 ( -1.992 10.313 0.000) 10.504 4.264 ( -0.497 8.650 0.000) 8.664 5.651 ( 1.186 -2.147 0.000) 2.452 5.678 ( 0.016 -1.149 0.000) 1.149 5.681 ( 2.769 -1.705 0.000) 3.252 5.756 ( 0.301 -1.233 0.000) 1.269 5.925 ( 4.481 0.737 0.000) 4.541 5.964 ( 5.317 0.415 0.000) 5.333 6.132 ( -2.619 -1.997 0.000) 3.294 6.232 ( -4.358 -2.745 0.000) 5.150 6.447 ( -0.485 -1.662 0.000) 1.731 6.459 ( -1.125 -0.075 0.000) 1.127 6.468 ( -0.002 -4.377 0.000) 4.377 6.491 ( -0.201 -3.623 0.000) 3.629 6.629 ( -1.106 2.769 0.000) 2.982 6.730 ( 1.982 1.893 0.000) 2.741 6.788 ( 5.174 2.588 0.000) 5.785 6.794 ( -6.619 3.581 0.000) 7.526 6.875 ( -3.301 0.098 0.000) 3.302 6.903 ( -0.838 1.224 0.000) 1.484 6.991 ( 3.131 3.333 0.000) 4.573 7.027 ( 0.257 5.757 0.000) 5.763 7.159 ( 0.616 2.304 0.000) 2.385 7.189 ( -0.015 7.316 0.000) 7.316 7.214 ( 1.888 7.164 0.000) 7.408 7.273 ( -0.022 3.280 0.000) 3.280 7.374 ( -0.133 1.935 0.000) 1.940 7.422 ( -0.470 3.035 0.000) 3.071 7.479 ( -4.293 4.104 0.000) 5.939 7.548 ( 1.992 6.463 0.000) 6.763 7.612 ( -4.457 3.084 0.000) 5.420 7.687 ( -6.039 4.953 0.000) 7.811 7.787 ( 3.697 -5.182 0.000) 6.366 7.908 ( 0.597 -4.319 0.000) 4.360 7.934 ( -0.410 -1.144 0.000) 1.215 7.960 ( -0.370 -6.983 0.000) 6.993 8.023 ( 0.916 -2.515 0.000) 2.677 8.073 ( -0.773 -0.980 0.000) 1.248 8.524 ( 3.214 -1.953 0.000) 3.761 8.647 ( -1.412 0.520 0.000) 1.505 8.746 ( 1.661 -1.034 0.000) 1.957 8.808 ( -0.560 -6.420 0.000) 6.445 9.357 ( 0.221 -5.177 0.000) 5.182 9.372 ( -0.398 -5.293 0.000) 5.308 9.425 ( 0.275 -7.012 0.000) 7.017 9.435 ( -0.148 -7.758 0.000) 7.759 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -2.773 11.243 0.000) 11.580 1.660 ( 2.773 11.243 0.000) 11.580 1.781 ( -1.447 7.816 0.000) 7.949 1.781 ( 1.447 7.816 0.000) 7.949 1.914 ( -1.927 8.995 0.000) 9.199 1.914 ( 1.927 8.995 0.000) 9.199 2.066 ( -5.525 6.339 0.000) 8.409 2.066 ( 5.525 6.339 0.000) 8.409 2.164 ( -1.047 7.843 0.000) 7.912 2.164 ( 1.047 7.843 0.000) 7.912 2.338 ( -2.776 4.309 0.000) 5.126 2.338 ( 2.776 4.309 0.000) 5.126 2.428 ( -4.217 3.719 0.000) 5.622 2.428 ( 4.217 3.719 0.000) 5.622 2.528 ( -4.247 -0.982 0.000) 4.359 2.528 ( 4.247 -0.982 0.000) 4.359 2.789 ( -0.762 2.006 0.000) 2.146 2.789 ( 0.762 2.006 0.000) 2.146 2.893 ( -1.564 8.591 0.000) 8.733 2.893 ( 1.564 8.591 0.000) 8.733 3.170 ( -4.033 -2.339 0.000) 4.662 3.170 ( 4.033 -2.339 0.000) 4.662 3.337 ( -1.456 -3.443 0.000) 3.738 3.337 ( 1.456 -3.443 0.000) 3.738 3.608 ( -2.350 9.202 0.000) 9.497 3.608 ( 2.350 9.202 0.000) 9.497 3.670 ( -4.453 -5.836 0.000) 7.341 3.670 ( 4.453 -5.836 0.000) 7.341 3.723 ( -2.409 11.284 0.000) 11.538 3.723 ( 2.409 11.284 0.000) 11.538 3.879 ( -3.651 8.564 0.000) 9.310 3.879 ( 3.651 8.564 0.000) 9.310 4.001 ( -0.675 5.725 0.000) 5.765 4.001 ( 0.675 5.725 0.000) 5.765 4.100 ( -1.992 2.064 0.000) 2.868 4.100 ( 1.992 2.064 0.000) 2.868 4.181 ( -1.583 12.075 0.000) 12.178 4.181 ( 1.583 12.075 0.000) 12.178 4.239 ( -1.629 8.470 0.000) 8.626 4.239 ( 1.629 8.470 0.000) 8.626 5.671 ( -0.672 -1.139 0.000) 1.323 5.671 ( 0.672 -1.139 0.000) 1.323 5.739 ( -2.015 -1.397 0.000) 2.452 5.739 ( 2.015 -1.397 0.000) 2.452 6.040 ( -5.230 -0.762 0.000) 5.285 6.040 ( 5.230 -0.762 0.000) 5.285 6.109 ( -6.646 -1.034 0.000) 6.726 6.109 ( 6.646 -1.034 0.000) 6.726 6.442 ( -0.343 -1.541 0.000) 1.579 6.442 ( 0.343 -1.541 0.000) 1.579 6.478 ( -0.908 -3.481 0.000) 3.598 6.478 ( 0.908 -3.481 0.000) 3.598 6.659 ( -4.585 3.040 0.000) 5.501 6.659 ( 4.585 3.040 0.000) 5.501 6.795 ( -3.696 0.597 0.000) 3.743 6.795 ( 3.696 0.597 0.000) 3.743 6.875 ( -2.369 1.378 0.000) 2.740 6.875 ( 2.369 1.378 0.000) 2.740 7.033 ( -0.252 3.012 0.000) 3.023 7.033 ( 0.252 3.012 0.000) 3.023 7.176 ( -0.828 4.767 0.000) 4.838 7.176 ( 0.828 4.767 0.000) 4.838 7.258 ( -1.604 5.289 0.000) 5.527 7.258 ( 1.604 5.289 0.000) 5.527 7.386 ( -2.992 4.595 0.000) 5.483 7.386 ( 2.992 4.595 0.000) 5.483 7.489 ( -5.450 2.241 0.000) 5.893 7.489 ( 5.450 2.241 0.000) 5.893 7.594 ( -2.904 7.023 0.000) 7.600 7.594 ( 2.904 7.023 0.000) 7.600 7.874 ( -3.761 -3.190 0.000) 4.932 7.874 ( 3.761 -3.190 0.000) 4.932 7.943 ( -1.233 -6.669 0.000) 6.782 7.943 ( 1.233 -6.669 0.000) 6.782 8.048 ( -1.343 -1.611 0.000) 2.098 8.048 ( 1.343 -1.611 0.000) 2.098 8.597 ( -3.147 -0.466 0.000) 3.181 8.597 ( 3.147 -0.466 0.000) 3.181 8.785 ( -1.617 -3.274 0.000) 3.652 8.785 ( 1.617 -3.274 0.000) 3.652 9.363 ( -0.396 -5.136 0.000) 5.151 9.363 ( 0.396 -5.136 0.000) 5.151 9.431 ( -0.226 -7.194 0.000) 7.198 9.431 ( 0.226 -7.194 0.000) 7.198 ======================= Grid point 25 (16/63) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( 0.000 6.330 0.000) 6.330 1.867 ( 0.000 2.913 0.000) 2.913 1.877 ( 0.000 9.457 0.000) 9.457 1.886 ( 0.000 3.578 0.000) 3.578 2.007 ( 0.000 3.395 0.000) 3.395 2.049 ( 0.000 9.578 0.000) 9.578 2.123 ( 0.000 -3.225 0.000) 3.225 2.232 ( 0.000 9.755 0.000) 9.755 2.302 ( 0.000 -5.208 0.000) 5.208 2.389 ( 0.000 6.524 0.000) 6.524 2.404 ( 0.000 5.391 0.000) 5.391 2.457 ( 0.000 6.751 0.000) 6.751 2.475 ( 0.000 4.159 0.000) 4.159 2.483 ( 0.000 -0.763 0.000) 0.763 2.632 ( 0.000 -1.923 0.000) 1.923 2.678 ( 0.000 -4.536 0.000) 4.536 2.683 ( 0.000 -0.443 0.000) 0.443 2.783 ( 0.000 -2.534 0.000) 2.534 2.831 ( 0.000 0.653 0.000) 0.653 2.832 ( 0.000 -8.108 0.000) 8.108 3.135 ( 0.000 6.901 0.000) 6.901 3.201 ( 0.000 -1.816 0.000) 1.816 3.216 ( 0.000 2.365 0.000) 2.365 3.252 ( 0.000 -2.514 0.000) 2.514 3.354 ( 0.000 -3.657 0.000) 3.657 3.480 ( 0.000 -9.597 0.000) 9.597 3.675 ( 0.000 6.640 0.000) 6.640 3.807 ( 0.000 6.554 0.000) 6.554 3.864 ( 0.000 1.315 0.000) 1.315 3.952 ( 0.000 6.069 0.000) 6.069 4.036 ( 0.000 -0.569 0.000) 0.569 4.060 ( 0.000 3.061 0.000) 3.061 4.091 ( 0.000 4.599 0.000) 4.599 4.136 ( 0.000 8.260 0.000) 8.260 4.172 ( 0.000 1.354 0.000) 1.354 4.258 ( 0.000 4.814 0.000) 4.814 4.332 ( 0.000 16.873 0.000) 16.873 4.443 ( 0.000 10.319 0.000) 10.319 4.475 ( 0.000 10.283 0.000) 10.283 4.483 ( 0.000 15.513 0.000) 15.513 5.605 ( 0.000 0.131 0.000) 0.131 5.638 ( 0.000 0.027 0.000) 0.027 5.675 ( 0.000 1.043 0.000) 1.043 5.728 ( 0.000 -0.336 0.000) 0.336 5.917 ( 0.000 3.034 0.000) 3.034 5.953 ( 0.000 2.894 0.000) 2.894 6.109 ( 0.000 -2.383 0.000) 2.383 6.190 ( 0.000 -5.375 0.000) 5.375 6.374 ( 0.000 -3.862 0.000) 3.862 6.414 ( 0.000 -2.779 0.000) 2.779 6.432 ( 0.000 -2.511 0.000) 2.511 6.445 ( 0.000 -2.304 0.000) 2.304 6.709 ( 0.000 1.161 0.000) 1.161 6.737 ( 0.000 0.928 0.000) 0.928 6.798 ( 0.000 6.014 0.000) 6.014 6.888 ( 0.000 -2.410 0.000) 2.410 6.890 ( 0.000 -1.878 0.000) 1.878 6.970 ( 0.000 4.218 0.000) 4.218 7.038 ( 0.000 4.080 0.000) 4.080 7.113 ( 0.000 -0.544 0.000) 0.544 7.174 ( 0.000 2.997 0.000) 2.997 7.294 ( 0.000 4.416 0.000) 4.416 7.299 ( 0.000 0.506 0.000) 0.506 7.317 ( 0.000 4.410 0.000) 4.410 7.364 ( 0.000 -0.338 0.000) 0.338 7.476 ( 0.000 -4.843 0.000) 4.843 7.596 ( 0.000 1.101 0.000) 1.101 7.620 ( 0.000 7.616 0.000) 7.616 7.636 ( 0.000 -0.642 0.000) 0.642 7.683 ( 0.000 -0.162 0.000) 0.162 7.839 ( 0.000 -5.558 0.000) 5.558 7.854 ( 0.000 2.956 0.000) 2.956 7.897 ( 0.000 0.132 0.000) 0.132 7.943 ( 0.000 2.160 0.000) 2.160 7.950 ( 0.000 -3.734 0.000) 3.734 8.078 ( 0.000 -0.181 0.000) 0.181 8.461 ( 0.000 0.317 0.000) 0.317 8.662 ( 0.000 -7.050 0.000) 7.050 8.685 ( 0.000 1.556 0.000) 1.556 8.733 ( 0.000 0.383 0.000) 0.383 9.278 ( 0.000 -2.579 0.000) 2.579 9.287 ( 0.000 -3.588 0.000) 3.588 9.310 ( 0.000 -4.470 0.000) 4.470 9.315 ( 0.000 -4.394 0.000) 4.394 ======================= Grid point 26 (17/63) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 0.339 6.279 0.000) 6.288 1.863 ( -1.615 4.710 0.000) 4.979 1.864 ( 0.204 8.766 0.000) 8.768 1.886 ( 1.326 3.542 0.000) 3.782 2.011 ( 0.614 2.896 0.000) 2.960 2.052 ( 0.214 7.821 0.000) 7.824 2.160 ( 2.953 -2.733 0.000) 4.023 2.218 ( -0.787 10.114 0.000) 10.145 2.263 ( -3.773 -1.455 0.000) 4.044 2.366 ( -4.575 -2.546 0.000) 5.236 2.387 ( -0.006 6.634 0.000) 6.634 2.403 ( -0.751 10.227 0.000) 10.254 2.485 ( 0.721 3.529 0.000) 3.602 2.486 ( -0.654 0.550 0.000) 0.855 2.565 ( -1.660 2.324 0.000) 2.856 2.631 ( -5.299 -1.284 0.000) 5.452 2.744 ( 2.217 -0.336 0.000) 2.242 2.766 ( 2.482 -2.012 0.000) 3.195 2.906 ( 6.540 -4.302 0.000) 7.828 2.963 ( 5.677 -9.733 0.000) 11.268 3.080 ( -3.090 5.954 0.000) 6.708 3.096 ( -4.273 1.858 0.000) 4.660 3.308 ( 3.096 -0.404 0.000) 3.122 3.319 ( 2.695 0.787 0.000) 2.807 3.407 ( 5.216 -6.036 0.000) 7.977 3.510 ( 2.982 -8.784 0.000) 9.276 3.595 ( -5.325 0.043 0.000) 5.325 3.758 ( -5.378 0.774 0.000) 5.433 3.884 ( 2.126 6.616 0.000) 6.949 3.942 ( -0.812 6.297 0.000) 6.349 4.030 ( -0.396 1.742 0.000) 1.787 4.048 ( -1.003 3.902 0.000) 4.029 4.104 ( 0.926 4.533 0.000) 4.627 4.142 ( 0.639 7.994 0.000) 8.020 4.179 ( -0.006 3.976 0.000) 3.976 4.199 ( -3.619 6.741 0.000) 7.651 4.386 ( 3.178 14.376 0.000) 14.723 4.455 ( 1.000 11.342 0.000) 11.386 4.471 ( -0.358 10.948 0.000) 10.954 4.488 ( 0.311 14.705 0.000) 14.709 5.633 ( 2.092 0.300 0.000) 2.114 5.668 ( 2.567 0.066 0.000) 2.568 5.679 ( 0.177 1.065 0.000) 1.079 5.740 ( 0.480 -0.449 0.000) 0.657 5.953 ( 3.223 2.177 0.000) 3.889 5.989 ( 3.406 1.923 0.000) 3.911 6.096 ( -1.346 -1.710 0.000) 2.176 6.166 ( -2.282 -3.968 0.000) 4.577 6.377 ( 0.375 -3.330 0.000) 3.351 6.418 ( 0.194 -2.380 0.000) 2.388 6.425 ( -1.009 -2.649 0.000) 2.834 6.435 ( -0.569 -2.070 0.000) 2.147 6.673 ( -1.434 2.017 0.000) 2.475 6.737 ( 0.535 -0.231 0.000) 0.582 6.813 ( -6.107 -1.196 0.000) 6.222 6.842 ( -0.948 -1.341 0.000) 1.642 6.863 ( 1.258 3.183 0.000) 3.422 6.951 ( -1.189 3.424 0.000) 3.625 7.056 ( 1.000 2.640 0.000) 2.823 7.085 ( -1.675 -0.334 0.000) 1.708 7.203 ( 2.338 3.037 0.000) 3.833 7.293 ( -0.733 4.034 0.000) 4.100 7.320 ( 1.260 1.156 0.000) 1.710 7.325 ( 0.492 3.791 0.000) 3.823 7.392 ( 2.825 0.405 0.000) 2.854 7.449 ( -0.546 -1.176 0.000) 1.296 7.529 ( -4.169 1.704 0.000) 4.504 7.643 ( -2.773 -0.176 0.000) 2.779 7.650 ( 1.185 3.691 0.000) 3.876 7.732 ( 4.809 0.897 0.000) 4.892 7.773 ( -4.601 3.370 0.000) 5.703 7.835 ( -0.342 -5.632 0.000) 5.642 7.838 ( -3.316 -1.855 0.000) 3.800 7.932 ( -2.199 0.955 0.000) 2.397 7.971 ( 1.757 -3.160 0.000) 3.615 8.062 ( -1.613 -1.052 0.000) 1.926 8.519 ( 4.501 1.120 0.000) 4.638 8.671 ( -1.587 1.669 0.000) 2.303 8.691 ( 2.138 -5.332 0.000) 5.745 8.734 ( 0.113 -0.450 0.000) 0.464 9.281 ( 0.223 -2.596 0.000) 2.605 9.288 ( -0.011 -3.289 0.000) 3.289 9.314 ( 0.347 -4.375 0.000) 4.389 9.318 ( 0.193 -4.296 0.000) 4.300 ======================= Grid point 27 (18/63) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -0.041 7.481 0.000) 7.481 1.842 ( 0.041 7.481 0.000) 7.481 1.895 ( -0.857 5.073 0.000) 5.145 1.895 ( 0.857 5.073 0.000) 5.145 2.040 ( -1.631 2.970 0.000) 3.389 2.040 ( 1.631 2.970 0.000) 3.389 2.194 ( -1.371 4.341 0.000) 4.553 2.194 ( 1.371 4.341 0.000) 4.553 2.265 ( -4.628 0.814 0.000) 4.699 2.265 ( 4.628 0.814 0.000) 4.699 2.392 ( -0.424 7.515 0.000) 7.527 2.392 ( 0.424 7.515 0.000) 7.527 2.490 ( -0.600 0.607 0.000) 0.854 2.490 ( 0.600 0.607 0.000) 0.854 2.555 ( -1.092 3.671 0.000) 3.830 2.555 ( 1.092 3.671 0.000) 3.830 2.785 ( -0.676 -1.995 0.000) 2.107 2.785 ( 0.676 -1.995 0.000) 2.107 3.020 ( -1.890 -10.176 0.000) 10.350 3.020 ( 1.890 -10.176 0.000) 10.350 3.036 ( -0.351 6.235 0.000) 6.244 3.036 ( 0.351 6.235 0.000) 6.244 3.342 ( -0.096 1.980 0.000) 1.982 3.342 ( 0.096 1.980 0.000) 1.982 3.501 ( -3.467 -8.616 0.000) 9.288 3.501 ( 3.467 -8.616 0.000) 9.288 3.622 ( -6.770 -4.012 0.000) 7.869 3.622 ( 6.770 -4.012 0.000) 7.869 3.921 ( -1.230 7.324 0.000) 7.426 3.921 ( 1.230 7.324 0.000) 7.426 4.029 ( -0.484 4.489 0.000) 4.515 4.029 ( 0.484 4.489 0.000) 4.515 4.134 ( -2.176 5.431 0.000) 5.851 4.134 ( 2.176 5.431 0.000) 5.851 4.163 ( -1.151 6.979 0.000) 7.074 4.163 ( 1.151 6.979 0.000) 7.074 4.442 ( -1.894 13.296 0.000) 13.430 4.442 ( 1.894 13.296 0.000) 13.430 4.485 ( -0.804 12.687 0.000) 12.712 4.485 ( 0.804 12.687 0.000) 12.712 5.670 ( -1.137 0.930 0.000) 1.469 5.670 ( 1.137 0.930 0.000) 1.469 5.725 ( -2.042 -0.248 0.000) 2.057 5.725 ( 2.042 -0.248 0.000) 2.057 6.032 ( -3.110 0.101 0.000) 3.112 6.032 ( 3.110 0.101 0.000) 3.112 6.093 ( -4.038 -0.792 0.000) 4.115 6.093 ( 4.038 -0.792 0.000) 4.115 6.395 ( -1.316 -2.510 0.000) 2.834 6.395 ( 1.316 -2.510 0.000) 2.834 6.424 ( -0.489 -2.281 0.000) 2.332 6.424 ( 0.489 -2.281 0.000) 2.332 6.693 ( -3.746 0.827 0.000) 3.836 6.693 ( 3.746 0.827 0.000) 3.836 6.776 ( -3.001 -1.958 0.000) 3.583 6.776 ( 3.001 -1.958 0.000) 3.583 6.919 ( -2.046 2.893 0.000) 3.543 6.919 ( 2.046 2.893 0.000) 3.543 7.067 ( -0.192 0.321 0.000) 0.374 7.067 ( 0.192 0.321 0.000) 0.374 7.257 ( -2.379 3.596 0.000) 4.312 7.257 ( 2.379 3.596 0.000) 4.312 7.334 ( -0.023 2.481 0.000) 2.481 7.334 ( 0.023 2.481 0.000) 2.481 7.444 ( -3.111 1.512 0.000) 3.459 7.444 ( 3.111 1.512 0.000) 3.459 7.525 ( -6.254 1.040 0.000) 6.340 7.525 ( 6.254 1.040 0.000) 6.340 7.688 ( -2.986 2.848 0.000) 4.127 7.688 ( 2.986 2.848 0.000) 4.127 7.815 ( -0.229 -3.904 0.000) 3.911 7.815 ( 0.229 -3.904 0.000) 3.911 7.854 ( -4.289 -0.305 0.000) 4.299 7.854 ( 4.289 -0.305 0.000) 4.299 8.017 ( -2.347 -2.154 0.000) 3.186 8.017 ( 2.347 -2.154 0.000) 3.186 8.613 ( -3.782 1.707 0.000) 4.149 8.613 ( 3.782 1.707 0.000) 4.149 8.727 ( -0.985 -2.552 0.000) 2.736 8.727 ( 0.985 -2.552 0.000) 2.736 9.286 ( -0.176 -2.801 0.000) 2.806 9.286 ( 0.176 -2.801 0.000) 2.806 9.320 ( -0.100 -4.239 0.000) 4.240 9.320 ( 0.100 -4.239 0.000) 4.240 ======================= Grid point 30 (19/63) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 0.000 1.869 0.000) 1.869 1.929 ( 0.000 0.725 0.000) 0.725 1.962 ( 0.000 6.989 0.000) 6.989 2.034 ( 0.000 0.448 0.000) 0.448 2.038 ( 0.000 5.477 0.000) 5.477 2.061 ( 0.000 -2.582 0.000) 2.582 2.154 ( 0.000 -7.154 0.000) 7.154 2.157 ( 0.000 0.222 0.000) 0.222 2.401 ( 0.000 7.321 0.000) 7.321 2.403 ( 0.000 0.429 0.000) 0.429 2.448 ( 0.000 -2.726 0.000) 2.726 2.497 ( 0.000 -1.968 0.000) 1.968 2.516 ( 0.000 5.932 0.000) 5.932 2.595 ( 0.000 1.621 0.000) 1.621 2.616 ( 0.000 -4.797 0.000) 4.797 2.619 ( 0.000 -1.669 0.000) 1.669 2.681 ( 0.000 8.402 0.000) 8.402 2.728 ( 0.000 -2.119 0.000) 2.119 2.739 ( 0.000 -2.237 0.000) 2.237 2.810 ( 0.000 -3.694 0.000) 3.694 3.187 ( 0.000 0.900 0.000) 0.900 3.219 ( 0.000 2.134 0.000) 2.134 3.227 ( 0.000 -1.570 0.000) 1.570 3.235 ( 0.000 -0.096 0.000) 0.096 3.307 ( 0.000 -1.324 0.000) 1.324 3.322 ( 0.000 -4.532 0.000) 4.532 3.794 ( 0.000 5.102 0.000) 5.102 3.858 ( 0.000 -1.371 0.000) 1.371 3.930 ( 0.000 5.036 0.000) 5.036 4.006 ( 0.000 -2.671 0.000) 2.671 4.018 ( 0.000 2.467 0.000) 2.467 4.061 ( 0.000 -1.725 0.000) 1.725 4.149 ( 0.000 1.804 0.000) 1.804 4.173 ( 0.000 -0.810 0.000) 0.810 4.285 ( 0.000 5.581 0.000) 5.581 4.328 ( 0.000 1.171 0.000) 1.171 4.598 ( 0.000 4.845 0.000) 4.845 4.614 ( 0.000 3.358 0.000) 3.358 4.614 ( 0.000 9.753 0.000) 9.753 4.675 ( 0.000 3.655 0.000) 3.655 5.624 ( 0.000 1.271 0.000) 1.271 5.639 ( 0.000 -0.213 0.000) 0.213 5.703 ( 0.000 1.498 0.000) 1.498 5.723 ( 0.000 -0.480 0.000) 0.480 5.990 ( 0.000 4.372 0.000) 4.372 6.013 ( 0.000 2.997 0.000) 2.997 6.064 ( 0.000 -2.330 0.000) 2.330 6.084 ( 0.000 -5.268 0.000) 5.268 6.331 ( 0.000 -0.388 0.000) 0.388 6.357 ( 0.000 -2.652 0.000) 2.652 6.397 ( 0.000 -0.821 0.000) 0.821 6.405 ( 0.000 -1.525 0.000) 1.525 6.748 ( 0.000 2.823 0.000) 2.823 6.769 ( 0.000 2.465 0.000) 2.465 6.811 ( 0.000 -3.193 0.000) 3.193 6.828 ( 0.000 -3.355 0.000) 3.355 6.940 ( 0.000 5.761 0.000) 5.761 7.046 ( 0.000 3.329 0.000) 3.329 7.047 ( 0.000 -4.909 0.000) 4.909 7.082 ( 0.000 0.107 0.000) 0.107 7.243 ( 0.000 3.090 0.000) 3.090 7.288 ( 0.000 -1.533 0.000) 1.533 7.354 ( 0.000 0.341 0.000) 0.341 7.357 ( 0.000 1.940 0.000) 1.940 7.372 ( 0.000 0.671 0.000) 0.671 7.386 ( 0.000 -3.208 0.000) 3.208 7.607 ( 0.000 0.474 0.000) 0.474 7.620 ( 0.000 -0.835 0.000) 0.835 7.703 ( 0.000 1.776 0.000) 1.776 7.752 ( 0.000 -2.866 0.000) 2.866 7.754 ( 0.000 5.709 0.000) 5.709 7.865 ( 0.000 -5.082 0.000) 5.082 7.902 ( 0.000 1.406 0.000) 1.406 7.906 ( 0.000 0.569 0.000) 0.569 7.991 ( 0.000 2.928 0.000) 2.928 8.051 ( 0.000 -2.649 0.000) 2.649 8.487 ( 0.000 2.244 0.000) 2.244 8.550 ( 0.000 -4.367 0.000) 4.367 8.714 ( 0.000 1.312 0.000) 1.312 8.732 ( 0.000 -0.497 0.000) 0.497 9.242 ( 0.000 -0.998 0.000) 0.998 9.249 ( 0.000 -1.757 0.000) 1.757 9.250 ( 0.000 -0.429 0.000) 0.429 9.260 ( 0.000 -1.523 0.000) 1.523 ======================= Grid point 31 (20/63) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 0.832 2.455 0.000) 2.592 1.944 ( 2.130 1.643 0.000) 2.690 1.971 ( 0.528 6.402 0.000) 6.424 2.022 ( -1.418 6.401 0.000) 6.556 2.034 ( -0.024 0.776 0.000) 0.777 2.083 ( 1.684 -4.064 0.000) 4.399 2.110 ( -3.057 -2.970 0.000) 4.262 2.147 ( -1.482 -6.370 0.000) 6.540 2.388 ( -0.547 4.099 0.000) 4.135 2.394 ( -0.504 7.523 0.000) 7.540 2.462 ( 0.802 -2.434 0.000) 2.563 2.490 ( -0.496 -1.705 0.000) 1.775 2.527 ( 0.850 5.695 0.000) 5.758 2.591 ( -1.824 4.544 0.000) 4.896 2.602 ( 0.390 1.695 0.000) 1.739 2.610 ( -0.333 -2.178 0.000) 2.204 2.720 ( 0.749 0.110 0.000) 0.757 2.722 ( 2.272 1.015 0.000) 2.488 2.795 ( 2.920 -6.869 0.000) 7.464 2.818 ( 0.813 -5.303 0.000) 5.365 3.156 ( -1.061 4.375 0.000) 4.502 3.186 ( -1.692 4.875 0.000) 5.160 3.268 ( 1.612 -3.436 0.000) 3.795 3.270 ( 1.817 -7.135 0.000) 7.362 3.340 ( 3.180 1.161 0.000) 3.385 3.384 ( 5.649 -3.680 0.000) 6.742 3.643 ( -9.693 4.174 0.000) 10.554 3.724 ( -9.079 -3.538 0.000) 9.744 3.987 ( 2.084 3.905 0.000) 4.426 4.015 ( -0.243 2.580 0.000) 2.591 4.039 ( 1.002 -1.258 0.000) 1.608 4.057 ( -0.370 -1.502 0.000) 1.547 4.184 ( 2.866 3.649 0.000) 4.640 4.222 ( 3.062 0.133 0.000) 3.065 4.276 ( -0.821 4.915 0.000) 4.983 4.304 ( -1.871 2.256 0.000) 2.931 4.617 ( 1.755 4.798 0.000) 5.109 4.626 ( 0.943 4.065 0.000) 4.173 4.629 ( 1.010 8.425 0.000) 8.486 4.676 ( -0.191 3.890 0.000) 3.895 5.653 ( 2.336 1.308 0.000) 2.677 5.669 ( 2.456 -0.253 0.000) 2.469 5.708 ( 0.222 1.586 0.000) 1.602 5.731 ( 0.371 -0.690 0.000) 0.783 6.008 ( 1.620 3.452 0.000) 3.814 6.030 ( 1.520 2.066 0.000) 2.565 6.065 ( -0.038 -1.587 0.000) 1.588 6.084 ( -0.119 -4.226 0.000) 4.228 6.343 ( 0.961 -0.100 0.000) 0.966 6.369 ( 0.866 -2.397 0.000) 2.549 6.391 ( -0.666 -0.712 0.000) 0.975 6.399 ( -0.538 -1.405 0.000) 1.504 6.720 ( -1.915 2.890 0.000) 3.467 6.743 ( -1.696 1.055 0.000) 1.997 6.776 ( -4.079 -2.132 0.000) 4.603 6.784 ( -2.438 -3.493 0.000) 4.259 6.951 ( 1.060 4.718 0.000) 4.836 7.020 ( -1.852 3.474 0.000) 3.937 7.037 ( -0.465 -3.880 0.000) 3.908 7.071 ( -1.135 -1.244 0.000) 1.684 7.267 ( 2.091 3.125 0.000) 3.760 7.314 ( 1.917 -1.549 0.000) 2.465 7.349 ( -0.582 1.828 0.000) 1.918 7.366 ( -0.349 0.398 0.000) 0.529 7.396 ( 2.673 0.389 0.000) 2.701 7.414 ( 3.121 -1.469 0.000) 3.449 7.564 ( -3.373 2.071 0.000) 3.958 7.610 ( -2.150 -2.514 0.000) 3.308 7.697 ( 0.158 1.984 0.000) 1.990 7.746 ( -0.241 -3.348 0.000) 3.357 7.804 ( 3.785 4.818 0.000) 6.127 7.819 ( -5.528 1.471 0.000) 5.720 7.830 ( -5.423 0.163 0.000) 5.425 7.896 ( 2.605 -4.461 0.000) 5.166 7.966 ( -2.469 2.470 0.000) 3.492 8.022 ( -2.378 -2.863 0.000) 3.722 8.554 ( 4.896 2.232 0.000) 5.381 8.607 ( 4.160 -3.360 0.000) 5.348 8.702 ( -1.336 1.382 0.000) 1.923 8.723 ( -0.932 -0.757 0.000) 1.201 9.247 ( 0.380 -0.861 0.000) 0.941 9.252 ( 0.161 -0.440 0.000) 0.468 9.255 ( 0.473 -1.700 0.000) 1.764 9.263 ( 0.193 -1.555 0.000) 1.567 ======================= Grid point 32 (21/63) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -1.675 4.991 0.000) 5.265 1.958 ( 1.675 4.991 0.000) 5.265 1.997 ( -1.534 4.984 0.000) 5.214 1.997 ( 1.534 4.984 0.000) 5.214 2.042 ( -1.981 -1.977 0.000) 2.799 2.042 ( 1.981 -1.977 0.000) 2.799 2.117 ( -1.333 -6.388 0.000) 6.526 2.117 ( 1.333 -6.388 0.000) 6.526 2.386 ( -0.166 7.026 0.000) 7.028 2.386 ( 0.166 7.026 0.000) 7.028 2.478 ( -0.664 -2.169 0.000) 2.268 2.478 ( 0.664 -2.169 0.000) 2.268 2.553 ( -1.620 6.558 0.000) 6.755 2.553 ( 1.620 6.558 0.000) 6.755 2.607 ( -0.099 1.035 0.000) 1.040 2.607 ( 0.099 1.035 0.000) 1.040 2.740 ( -0.512 -0.588 0.000) 0.780 2.740 ( 0.512 -0.588 0.000) 0.780 2.833 ( -0.219 -8.338 0.000) 8.341 2.833 ( 0.219 -8.338 0.000) 8.341 3.156 ( -0.949 6.299 0.000) 6.370 3.156 ( 0.949 6.299 0.000) 6.370 3.288 ( -0.078 -7.106 0.000) 7.106 3.288 ( 0.078 -7.106 0.000) 7.106 3.453 ( -7.398 3.364 0.000) 8.127 3.453 ( 7.398 3.364 0.000) 8.127 3.535 ( -8.197 -4.591 0.000) 9.395 3.535 ( 8.197 -4.591 0.000) 9.395 4.009 ( -0.406 2.880 0.000) 2.908 4.009 ( 0.406 2.880 0.000) 2.908 4.049 ( -0.299 -1.172 0.000) 1.210 4.049 ( 0.299 -1.172 0.000) 1.210 4.243 ( -2.357 4.495 0.000) 5.075 4.243 ( 2.357 4.495 0.000) 5.075 4.268 ( -1.457 2.274 0.000) 2.701 4.268 ( 1.457 2.274 0.000) 2.701 4.641 ( -0.159 6.076 0.000) 6.079 4.641 ( 0.159 6.076 0.000) 6.079 4.658 ( -1.569 4.359 0.000) 4.633 4.658 ( 1.569 4.359 0.000) 4.633 5.698 ( -1.415 1.552 0.000) 2.100 5.698 ( 1.415 1.552 0.000) 2.100 5.719 ( -1.672 -0.561 0.000) 1.763 5.719 ( 1.672 -0.561 0.000) 1.763 6.045 ( -1.218 1.144 0.000) 1.671 6.045 ( 1.218 1.144 0.000) 1.671 6.072 ( -1.125 -1.403 0.000) 1.799 6.072 ( 1.125 -1.403 0.000) 1.799 6.368 ( -1.308 -0.124 0.000) 1.314 6.368 ( 1.308 -0.124 0.000) 1.314 6.385 ( -0.681 -1.638 0.000) 1.774 6.385 ( 0.681 -1.638 0.000) 1.774 6.706 ( -1.412 0.898 0.000) 1.674 6.706 ( 1.412 0.898 0.000) 1.674 6.735 ( -1.319 -1.983 0.000) 2.381 6.735 ( 1.319 -1.983 0.000) 2.381 6.981 ( -1.684 3.423 0.000) 3.815 6.981 ( 1.684 3.423 0.000) 3.815 7.043 ( -1.095 -2.579 0.000) 2.802 7.043 ( 1.095 -2.579 0.000) 2.802 7.317 ( -2.218 2.552 0.000) 3.381 7.317 ( 2.218 2.552 0.000) 3.381 7.351 ( -1.249 -0.682 0.000) 1.423 7.351 ( 1.249 -0.682 0.000) 1.423 7.473 ( -4.543 2.036 0.000) 4.978 7.473 ( 4.543 2.036 0.000) 4.978 7.517 ( -5.710 -1.830 0.000) 5.997 7.517 ( 5.710 -1.830 0.000) 5.997 7.726 ( -2.852 1.421 0.000) 3.186 7.726 ( 2.852 1.421 0.000) 3.186 7.755 ( -1.408 -1.967 0.000) 2.419 7.755 ( 1.408 -1.967 0.000) 2.419 7.892 ( -4.148 3.195 0.000) 5.236 7.892 ( 4.148 3.195 0.000) 5.236 7.961 ( -3.164 -3.480 0.000) 4.703 7.961 ( 3.164 -3.480 0.000) 4.703 8.650 ( -3.617 1.881 0.000) 4.077 8.650 ( 3.617 1.881 0.000) 4.077 8.685 ( -2.779 -1.867 0.000) 3.348 8.685 ( 2.779 -1.867 0.000) 3.348 9.253 ( -0.134 -0.555 0.000) 0.571 9.253 ( 0.134 -0.555 0.000) 0.571 9.264 ( -0.199 -1.644 0.000) 1.656 9.264 ( 0.199 -1.644 0.000) 1.656 ======================= Grid point 65 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 0.000 0.000 20.455) 20.455 0.485 ( 0.000 0.000 26.731) 26.731 0.794 ( 0.000 0.000 39.559) 39.559 0.985 ( 0.000 0.000 -5.162) 5.162 1.296 ( 0.000 0.000 -17.463) 17.463 1.311 ( 0.000 0.000 14.661) 14.661 1.557 ( 0.000 0.000 2.623) 2.623 1.606 ( 0.000 0.000 6.423) 6.423 1.705 ( 0.000 0.000 3.283) 3.283 1.730 ( 0.000 0.000 -4.597) 4.597 1.803 ( 0.000 0.000 -0.770) 0.770 1.810 ( 0.000 0.000 7.906) 7.906 1.927 ( 0.000 0.000 -14.678) 14.678 1.943 ( 0.000 0.000 -0.479) 0.479 2.076 ( 0.000 0.000 1.105) 1.105 2.121 ( 0.000 0.000 -0.901) 0.901 2.197 ( 0.000 0.000 -17.069) 17.069 2.300 ( 0.000 0.000 -18.271) 18.271 2.564 ( 0.000 0.000 -9.830) 9.830 2.581 ( 0.000 0.000 11.965) 11.965 2.688 ( 0.000 0.000 -0.007) 0.007 2.703 ( 0.000 0.000 -0.577) 0.577 2.775 ( 0.000 0.000 1.371) 1.371 2.821 ( 0.000 0.000 0.259) 0.259 2.822 ( 0.000 0.000 -0.837) 0.837 3.076 ( 0.000 0.000 13.328) 13.328 3.080 ( 0.000 0.000 -9.431) 9.431 3.503 ( 0.000 0.000 8.677) 8.677 3.517 ( 0.000 0.000 -2.161) 2.161 3.568 ( 0.000 0.000 -1.855) 1.855 3.678 ( 0.000 0.000 -5.881) 5.881 3.826 ( 0.000 0.000 -0.078) 0.078 3.993 ( 0.000 0.000 1.933) 1.933 4.046 ( 0.000 0.000 -0.193) 0.193 4.097 ( 0.000 0.000 3.541) 3.541 4.179 ( 0.000 0.000 7.544) 7.544 4.211 ( 0.000 0.000 -4.493) 4.493 4.326 ( 0.000 0.000 6.867) 6.867 4.386 ( 0.000 0.000 -2.115) 2.115 4.631 ( 0.000 0.000 -5.516) 5.516 5.597 ( 0.000 0.000 1.651) 1.651 5.633 ( 0.000 0.000 0.282) 0.282 5.877 ( 0.000 0.000 0.100) 0.100 5.887 ( 0.000 0.000 -2.251) 2.251 5.898 ( 0.000 0.000 -3.144) 3.144 5.919 ( 0.000 0.000 -1.825) 1.825 6.031 ( 0.000 0.000 -0.093) 0.093 6.033 ( 0.000 0.000 -0.424) 0.424 6.038 ( 0.000 0.000 3.437) 3.437 6.127 ( 0.000 0.000 -1.373) 1.373 6.287 ( 0.000 0.000 3.138) 3.138 6.398 ( 0.000 0.000 -2.082) 2.082 6.431 ( 0.000 0.000 5.116) 5.116 6.558 ( 0.000 0.000 -1.045) 1.045 6.564 ( 0.000 0.000 1.179) 1.179 6.575 ( 0.000 0.000 0.877) 0.877 6.622 ( 0.000 0.000 -1.344) 1.344 6.710 ( 0.000 0.000 -5.347) 5.347 6.775 ( 0.000 0.000 4.640) 4.640 6.795 ( 0.000 0.000 0.982) 0.982 6.813 ( 0.000 0.000 0.023) 0.023 6.852 ( 0.000 0.000 -0.020) 0.020 6.929 ( 0.000 0.000 3.129) 3.129 7.129 ( 0.000 0.000 -0.014) 0.014 7.134 ( 0.000 0.000 -0.246) 0.246 7.149 ( 0.000 0.000 0.455) 0.455 7.161 ( 0.000 0.000 -6.474) 6.474 7.169 ( 0.000 0.000 -0.413) 0.413 7.642 ( 0.000 0.000 3.028) 3.028 7.696 ( 0.000 0.000 0.373) 0.373 7.705 ( 0.000 0.000 -0.361) 0.361 7.742 ( 0.000 0.000 -1.656) 1.656 8.245 ( 0.000 0.000 2.024) 2.024 8.264 ( 0.000 0.000 0.467) 0.467 8.367 ( 0.000 0.000 -0.239) 0.239 8.378 ( 0.000 0.000 -1.398) 1.398 8.760 ( 0.000 0.000 2.321) 2.321 8.826 ( 0.000 0.000 -0.104) 0.104 8.861 ( 0.000 0.000 -0.063) 0.063 8.957 ( 0.000 0.000 -5.161) 5.161 9.757 ( 0.000 0.000 4.096) 4.096 9.894 ( 0.000 0.000 -2.383) 2.383 10.144 ( 0.000 0.000 2.049) 2.049 10.228 ( 0.000 0.000 -1.679) 1.679 ======================= Grid point 66 (23/63) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 18.585 0.000 13.903) 23.210 0.706 ( 16.883 0.000 17.197) 24.099 0.989 ( 16.528 0.000 22.791) 28.153 1.151 ( 12.060 0.000 -0.964) 12.098 1.272 ( -5.921 0.000 12.129) 13.497 1.328 ( -0.655 0.000 -8.631) 8.656 1.456 ( -5.337 0.000 -2.625) 5.948 1.605 ( -2.975 0.000 4.041) 5.019 1.667 ( -5.279 0.000 -6.222) 8.159 1.699 ( 0.144 0.000 5.950) 5.952 1.794 ( -1.121 0.000 0.698) 1.321 1.837 ( 2.024 0.000 6.569) 6.873 1.932 ( -1.374 0.000 0.902) 1.644 1.952 ( 1.815 0.000 -7.856) 8.063 2.088 ( 0.990 0.000 0.613) 1.164 2.119 ( -0.197 0.000 -0.709) 0.736 2.177 ( 1.279 0.000 -13.967) 14.025 2.350 ( 0.986 0.000 -12.064) 12.105 2.480 ( -3.024 0.000 2.015) 3.634 2.651 ( 6.425 0.000 -8.836) 10.925 2.696 ( -9.530 0.000 0.561) 9.546 2.701 ( 1.215 0.000 0.270) 1.245 2.724 ( 1.619 0.000 -0.776) 1.796 2.766 ( -0.732 0.000 1.287) 1.481 2.809 ( -1.199 0.000 -0.773) 1.427 2.904 ( -8.972 0.000 5.158) 10.349 3.113 ( -4.698 0.000 -14.903) 15.626 3.315 ( -13.120 0.000 -10.975) 17.105 3.524 ( 0.161 0.000 9.320) 9.322 3.642 ( 3.315 0.000 3.343) 4.708 3.732 ( 5.211 0.000 3.397) 6.221 3.860 ( 2.483 0.000 0.102) 2.485 3.954 ( -1.605 0.000 5.760) 5.979 4.074 ( -0.037 0.000 1.998) 1.999 4.180 ( 4.142 0.000 1.602) 4.441 4.223 ( 2.059 0.000 -0.409) 2.099 4.308 ( 3.897 0.000 -2.304) 4.527 4.358 ( -0.903 0.000 -1.204) 1.505 4.382 ( 5.486 0.000 -0.126) 5.488 4.614 ( -1.609 0.000 -5.153) 5.399 5.597 ( 0.023 0.000 1.444) 1.444 5.620 ( -0.958 0.000 0.548) 1.103 5.868 ( -0.907 0.000 1.658) 1.889 5.884 ( -0.152 0.000 -2.276) 2.281 5.893 ( -0.493 0.000 -2.926) 2.967 5.893 ( -4.244 0.000 7.273) 8.421 5.966 ( 3.155 0.000 -3.089) 4.415 6.047 ( -0.871 0.000 -2.525) 2.671 6.071 ( 3.046 0.000 3.303) 4.493 6.162 ( 2.297 0.000 -1.293) 2.636 6.265 ( -1.473 0.000 2.745) 3.115 6.364 ( -2.929 0.000 -1.854) 3.466 6.484 ( 2.668 0.000 4.605) 5.322 6.570 ( -3.287 0.000 2.524) 4.145 6.587 ( 0.971 0.000 0.624) 1.154 6.616 ( 4.270 0.000 1.093) 4.408 6.619 ( -0.266 0.000 -0.846) 0.887 6.654 ( 7.320 0.000 -0.052) 7.320 6.798 ( 0.239 0.000 0.674) 0.715 6.811 ( -0.199 0.000 -0.004) 0.199 6.835 ( -0.362 0.000 -0.583) 0.686 6.873 ( 1.292 0.000 0.461) 1.371 7.007 ( 1.864 0.000 -4.218) 4.611 7.129 ( 0.144 0.000 0.188) 0.237 7.141 ( 0.389 0.000 -0.298) 0.490 7.145 ( -2.225 0.000 -6.011) 6.410 7.145 ( -0.197 0.000 0.372) 0.421 7.165 ( -0.353 0.000 -0.425) 0.552 7.511 ( -11.196 0.000 6.428) 12.910 7.535 ( -7.757 0.000 2.220) 8.069 7.710 ( 1.011 0.000 -0.177) 1.027 7.721 ( 0.745 0.000 -0.305) 0.805 8.271 ( 2.137 0.000 1.941) 2.887 8.287 ( 1.479 0.000 1.860) 2.376 8.373 ( 0.527 0.000 -0.230) 0.575 8.386 ( 0.159 0.000 -0.605) 0.625 8.763 ( 0.359 0.000 2.626) 2.650 8.791 ( -0.727 0.000 3.410) 3.487 8.971 ( 2.332 0.000 -7.063) 7.438 8.993 ( 3.117 0.000 -8.377) 8.938 9.772 ( 1.454 0.000 3.902) 4.165 9.901 ( -0.371 0.000 -1.261) 1.314 9.990 ( -8.617 0.000 9.021) 12.475 10.087 ( -4.730 0.000 0.582) 4.765 ======================= Grid point 67 (24/63) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -13.984 0.000 15.769) 21.076 1.003 ( 13.984 0.000 15.769) 21.076 1.084 ( -16.919 0.000 8.898) 19.117 1.084 ( 16.919 0.000 8.898) 19.117 1.380 ( -15.053 0.000 -2.186) 15.211 1.380 ( 15.053 0.000 -2.186) 15.211 1.517 ( -17.401 0.000 6.190) 18.469 1.517 ( 17.401 0.000 6.190) 18.469 1.529 ( -6.948 0.000 -11.061) 13.062 1.529 ( 6.948 0.000 -11.061) 13.062 1.887 ( -2.511 0.000 4.116) 4.822 1.887 ( 2.511 0.000 4.116) 4.822 1.899 ( -7.308 0.000 6.626) 9.865 1.899 ( 7.308 0.000 6.626) 9.865 2.109 ( -0.808 0.000 -0.248) 0.845 2.109 ( 0.808 0.000 -0.248) 0.845 2.260 ( -6.391 0.000 -6.109) 8.841 2.260 ( 6.391 0.000 -6.109) 8.841 2.524 ( -5.333 0.000 -3.266) 6.254 2.524 ( 5.333 0.000 -3.266) 6.254 2.731 ( -1.291 0.000 0.424) 1.359 2.731 ( 1.291 0.000 0.424) 1.359 2.775 ( -1.781 0.000 -0.394) 1.824 2.775 ( 1.781 0.000 -0.394) 1.824 2.819 ( -3.119 0.000 -9.575) 10.070 2.819 ( 3.119 0.000 -9.575) 10.070 3.037 ( -6.980 0.000 -12.346) 14.182 3.037 ( 6.980 0.000 -12.346) 14.182 3.605 ( -4.905 0.000 7.249) 8.752 3.605 ( 4.905 0.000 7.249) 8.752 3.834 ( -3.677 0.000 2.350) 4.364 3.834 ( 3.677 0.000 2.350) 4.364 4.018 ( -4.486 0.000 5.449) 7.058 4.018 ( 4.486 0.000 5.449) 7.058 4.236 ( -1.728 0.000 1.513) 2.297 4.236 ( 1.728 0.000 1.513) 2.297 4.335 ( -1.963 0.000 -1.983) 2.791 4.335 ( 1.963 0.000 -1.983) 2.791 4.538 ( -6.048 0.000 -4.115) 7.315 4.538 ( 6.048 0.000 -4.115) 7.315 5.602 ( -0.561 0.000 1.010) 1.155 5.602 ( 0.561 0.000 1.010) 1.155 5.855 ( -0.417 0.000 4.201) 4.222 5.855 ( 0.417 0.000 4.201) 4.222 5.884 ( -0.198 0.000 -2.449) 2.457 5.884 ( 0.198 0.000 -2.449) 2.457 6.023 ( -1.725 0.000 -3.032) 3.488 6.023 ( 1.725 0.000 -3.032) 3.488 6.149 ( -3.426 0.000 2.226) 4.086 6.149 ( 3.426 0.000 2.226) 4.086 6.289 ( -3.558 0.000 -0.936) 3.679 6.289 ( 3.558 0.000 -0.936) 3.679 6.520 ( -1.480 0.000 4.044) 4.306 6.520 ( 1.480 0.000 4.044) 4.306 6.608 ( -0.810 0.000 0.018) 0.810 6.608 ( 0.810 0.000 0.018) 0.810 6.722 ( -4.965 0.000 1.005) 5.066 6.722 ( 4.965 0.000 1.005) 5.066 6.805 ( -0.382 0.000 0.173) 0.419 6.805 ( 0.382 0.000 0.173) 0.419 6.885 ( -6.899 0.000 -4.723) 8.361 6.885 ( 6.899 0.000 -4.723) 8.361 7.024 ( -5.676 0.000 1.029) 5.768 7.024 ( 5.676 0.000 1.029) 5.768 7.135 ( -0.424 0.000 0.362) 0.558 7.135 ( 0.424 0.000 0.362) 0.558 7.155 ( -0.566 0.000 -0.415) 0.702 7.155 ( 0.566 0.000 -0.415) 0.702 7.419 ( -1.999 0.000 1.877) 2.743 7.419 ( 1.999 0.000 1.877) 2.743 7.727 ( -0.302 0.000 -0.503) 0.586 7.727 ( 0.302 0.000 -0.503) 0.586 8.301 ( -0.526 0.000 1.582) 1.667 8.301 ( 0.526 0.000 1.582) 1.667 8.384 ( -0.347 0.000 -0.130) 0.370 8.384 ( 0.347 0.000 -0.130) 0.370 8.776 ( -0.744 0.000 3.494) 3.572 8.776 ( 0.744 0.000 3.494) 3.572 9.008 ( -1.109 0.000 -7.466) 7.548 9.008 ( 1.109 0.000 -7.466) 7.548 9.824 ( -3.586 0.000 4.810) 5.999 9.824 ( 3.586 0.000 4.810) 5.999 9.988 ( -3.771 0.000 -0.663) 3.829 9.988 ( 3.771 0.000 -0.663) 3.829 ======================= Grid point 70 (25/63) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 0.000 19.133 11.500) 22.323 0.632 ( 0.000 17.836 14.790) 23.171 1.037 ( 0.000 9.330 -7.384) 11.899 1.259 ( 0.000 32.658 28.393) 43.275 1.302 ( 0.000 1.870 -0.840) 2.050 1.393 ( 0.000 7.238 -6.165) 9.508 1.629 ( 0.000 2.729 5.806) 6.415 1.653 ( 0.000 7.124 1.504) 7.281 1.729 ( 0.000 4.051 2.862) 4.960 1.777 ( 0.000 -5.820 -8.104) 9.977 1.810 ( 0.000 6.246 -4.674) 7.801 1.859 ( 0.000 5.679 1.863) 5.977 1.900 ( 0.000 8.462 7.288) 11.168 2.046 ( 0.000 9.028 -0.838) 9.067 2.206 ( 0.000 1.836 -14.430) 14.546 2.240 ( 0.000 12.177 -2.819) 12.499 2.286 ( 0.000 13.568 -4.188) 14.200 2.345 ( 0.000 3.458 -6.139) 7.046 2.617 ( 0.000 4.379 11.347) 12.163 2.648 ( 0.000 8.116 -10.990) 13.662 2.648 ( 0.000 -2.522 5.550) 6.096 2.723 ( 0.000 3.864 -1.579) 4.174 2.849 ( 0.000 8.064 -1.705) 8.242 2.874 ( 0.000 4.732 -2.335) 5.277 2.917 ( 0.000 7.413 -5.521) 9.242 3.100 ( 0.000 1.955 -10.458) 10.639 3.153 ( 0.000 8.012 12.878) 15.167 3.500 ( 0.000 -1.681 -0.676) 1.812 3.533 ( 0.000 2.300 8.342) 8.653 3.572 ( 0.000 0.904 0.924) 1.293 3.647 ( 0.000 -2.635 -7.672) 8.112 3.740 ( 0.000 -4.927 2.485) 5.518 3.967 ( 0.000 -2.373 1.921) 3.053 4.029 ( 0.000 -1.028 -0.328) 1.079 4.087 ( 0.000 -1.076 3.401) 3.568 4.144 ( 0.000 -2.957 6.226) 6.893 4.182 ( 0.000 -2.572 -3.491) 4.336 4.296 ( 0.000 -2.862 6.375) 6.988 4.333 ( 0.000 -4.989 -2.325) 5.504 4.586 ( 0.000 -4.424 -5.351) 6.943 5.697 ( 0.000 7.639 0.349) 7.647 5.723 ( 0.000 3.811 -2.369) 4.487 5.849 ( 0.000 -2.775 0.360) 2.799 5.885 ( 0.000 -1.877 -0.624) 1.978 5.910 ( 0.000 5.891 -1.313) 6.035 5.914 ( 0.000 -0.045 -2.727) 2.727 6.005 ( 0.000 1.620 0.566) 1.716 6.020 ( 0.000 -2.133 -0.285) 2.152 6.192 ( 0.000 10.619 1.578) 10.736 6.265 ( 0.000 11.011 -1.434) 11.104 6.359 ( 0.000 -2.239 4.103) 4.674 6.368 ( 0.000 8.755 1.516) 8.885 6.480 ( 0.000 5.172 0.623) 5.210 6.557 ( 0.000 0.312 0.290) 0.426 6.565 ( 0.000 -0.144 0.085) 0.167 6.608 ( 0.000 2.062 -0.398) 2.100 6.697 ( 0.000 -0.498 -3.864) 3.895 6.699 ( 0.000 4.662 -0.412) 4.680 6.744 ( 0.000 0.135 2.606) 2.610 6.798 ( 0.000 0.417 -0.222) 0.472 6.879 ( 0.000 4.044 4.388) 5.967 6.951 ( 0.000 3.247 -0.170) 3.252 6.995 ( 0.000 -1.932 -3.869) 4.325 7.130 ( 0.000 4.852 -5.570) 7.387 7.146 ( 0.000 0.629 0.701) 0.942 7.168 ( 0.000 3.765 0.797) 3.848 7.191 ( 0.000 3.440 -1.715) 3.844 7.236 ( 0.000 3.844 -5.467) 6.683 7.646 ( 0.000 0.221 3.057) 3.065 7.714 ( 0.000 1.735 0.598) 1.835 7.730 ( 0.000 2.501 -0.357) 2.527 7.742 ( 0.000 0.106 -1.738) 1.741 8.225 ( 0.000 -3.872 0.841) 3.962 8.237 ( 0.000 -1.401 0.744) 1.586 8.327 ( 0.000 -3.997 -0.085) 3.998 8.343 ( 0.000 -3.518 -1.365) 3.774 8.744 ( 0.000 -2.173 1.407) 2.589 8.797 ( 0.000 -3.129 0.218) 3.136 8.922 ( 0.000 -3.274 -3.877) 5.075 8.952 ( 0.000 4.800 -8.839) 10.058 9.722 ( 0.000 -3.518 3.601) 5.034 9.844 ( 0.000 -5.002 -2.006) 5.389 9.983 ( 0.000 -15.186 10.620) 18.531 10.058 ( 0.000 -8.329 1.024) 8.392 ======================= Grid point 71 (26/63) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 14.623 8.488 13.768) 21.805 0.820 ( 11.810 14.192 12.313) 22.192 1.147 ( 8.483 7.397 -6.314) 12.905 1.289 ( -3.614 4.321 11.518) 12.821 1.410 ( 6.548 21.295 12.118) 25.361 1.420 ( 3.806 8.180 -12.648) 15.536 1.492 ( -8.892 5.556 2.646) 10.814 1.632 ( -3.756 3.328 1.479) 5.232 1.720 ( -0.021 2.635 1.315) 2.945 1.768 ( 0.658 8.625 -0.801) 8.687 1.829 ( 0.300 3.579 0.101) 3.593 1.915 ( 3.090 4.825 4.710) 7.418 1.925 ( 2.813 5.375 2.541) 6.578 2.029 ( -0.879 9.142 0.648) 9.207 2.174 ( -0.877 4.068 -9.757) 10.607 2.228 ( -2.181 9.341 -1.950) 9.788 2.306 ( 1.814 13.240 -4.070) 13.969 2.392 ( 2.497 3.324 -4.442) 6.084 2.542 ( -3.938 6.808 3.056) 8.438 2.638 ( -2.257 -1.513 4.109) 4.926 2.687 ( 2.517 4.425 -5.796) 7.714 2.734 ( 0.705 3.055 -1.007) 3.293 2.828 ( -2.535 6.313 -5.659) 8.849 2.857 ( 0.459 9.137 -4.265) 10.094 2.875 ( -0.752 7.228 -1.786) 7.483 2.992 ( -8.852 8.921 6.229) 14.027 3.115 ( -3.529 1.020 -14.428) 14.888 3.336 ( -11.542 2.450 -9.409) 15.091 3.540 ( 0.139 1.473 8.981) 9.102 3.621 ( 2.828 -1.731 5.593) 6.502 3.704 ( 5.162 -2.414 2.534) 6.237 3.819 ( 2.953 -3.733 -0.621) 4.800 3.942 ( -0.323 -0.938 5.511) 5.599 4.040 ( 0.393 -2.682 2.973) 4.023 4.155 ( 3.918 -2.164 1.557) 4.739 4.175 ( 1.637 -3.948 -0.225) 4.280 4.248 ( 1.162 -4.520 0.896) 4.753 4.309 ( 1.251 -4.569 -1.041) 4.851 4.325 ( 3.538 -4.179 0.865) 5.544 4.565 ( -2.104 -4.751 -4.961) 7.184 5.705 ( 0.711 7.874 -0.350) 7.914 5.725 ( 0.132 4.802 -2.618) 5.471 5.832 ( -1.393 -2.729 -0.662) 3.135 5.842 ( -2.609 -0.060 -1.246) 2.892 5.933 ( 2.361 2.845 -0.046) 3.697 5.967 ( 2.792 2.331 0.099) 3.639 6.020 ( 1.772 3.491 0.526) 3.950 6.056 ( 1.229 1.778 -0.522) 2.224 6.165 ( -1.096 11.063 2.976) 11.509 6.263 ( -0.041 8.979 -1.895) 9.177 6.308 ( -2.452 2.547 2.471) 4.314 6.388 ( -2.024 2.952 -1.307) 3.810 6.481 ( 2.516 1.999 4.458) 5.495 6.596 ( -0.567 0.655 0.129) 0.876 6.613 ( 3.127 1.346 0.463) 3.435 6.624 ( 1.211 2.116 0.157) 2.443 6.657 ( 2.834 0.605 0.152) 2.902 6.674 ( 0.023 4.684 -1.425) 4.896 6.772 ( 0.261 -0.039 0.252) 0.365 6.818 ( 0.911 1.335 0.139) 1.622 6.907 ( -2.427 5.877 1.391) 6.509 6.915 ( 2.637 1.226 2.428) 3.789 6.994 ( -0.756 -2.497 -3.381) 4.270 7.109 ( -1.581 1.070 -2.862) 3.440 7.159 ( 0.201 1.581 -0.334) 1.628 7.170 ( 0.255 3.019 0.221) 3.037 7.186 ( -0.922 3.305 -0.221) 3.438 7.229 ( -1.114 4.251 -5.977) 7.419 7.520 ( -10.727 0.461 4.466) 11.628 7.551 ( -8.789 1.533 1.952) 9.133 7.738 ( 0.783 2.778 -0.463) 2.923 7.744 ( 0.743 2.382 -0.523) 2.549 8.248 ( 2.152 -2.780 1.279) 3.741 8.263 ( 1.408 -2.352 1.155) 2.974 8.335 ( 0.633 -3.871 -0.073) 3.923 8.350 ( 0.199 -3.585 -0.720) 3.662 8.749 ( 0.549 -1.759 1.951) 2.684 8.783 ( -0.767 -1.440 2.382) 2.887 8.938 ( 1.596 -3.226 -4.872) 6.057 8.985 ( 1.060 -0.702 -8.331) 8.427 9.732 ( 1.060 -3.922 3.532) 5.383 9.840 ( -1.929 -6.255 1.460) 6.707 9.900 ( -2.596 -7.351 5.678) 9.645 10.009 ( -3.896 -7.473 -0.020) 8.428 ======================= Grid point 72 (27/63) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -8.731 5.377 12.370) 16.067 1.057 ( 8.731 5.377 12.370) 16.067 1.126 ( -14.180 5.436 8.019) 17.173 1.126 ( 14.180 5.436 8.019) 17.173 1.426 ( -12.457 4.772 -4.808) 14.180 1.426 ( 12.457 4.772 -4.808) 14.180 1.549 ( -4.134 6.671 -8.423) 11.513 1.549 ( 4.134 6.671 -8.423) 11.513 1.708 ( -6.569 10.599 3.615) 12.983 1.708 ( 6.569 10.599 3.615) 12.983 1.930 ( -2.784 5.369 4.539) 7.562 1.930 ( 2.784 5.369 4.539) 7.562 2.004 ( -5.620 10.742 5.838) 13.456 2.004 ( 5.620 10.742 5.838) 13.456 2.165 ( -1.672 5.081 -1.441) 5.540 2.165 ( 1.672 5.081 -1.441) 5.540 2.369 ( -3.772 9.875 -2.902) 10.962 2.369 ( 3.772 9.875 -2.902) 10.962 2.542 ( -3.915 2.589 -1.207) 4.846 2.542 ( 3.915 2.589 -1.207) 4.846 2.734 ( -1.149 1.328 -0.641) 1.869 2.734 ( 1.149 1.328 -0.641) 1.869 2.839 ( -2.002 7.365 -2.914) 8.170 2.839 ( 2.002 7.365 -2.914) 8.170 2.910 ( -1.614 7.492 -5.511) 9.440 2.910 ( 1.614 7.492 -5.511) 9.440 3.086 ( -8.366 5.362 -12.444) 15.924 3.086 ( 8.366 5.362 -12.444) 15.924 3.601 ( -3.611 -0.307 7.037) 7.915 3.601 ( 3.611 -0.307 7.037) 7.915 3.802 ( -3.330 -3.099 2.335) 5.113 3.802 ( 3.330 -3.099 2.335) 5.113 4.003 ( -3.592 -1.327 4.706) 6.067 4.003 ( 3.592 -1.327 4.706) 6.067 4.194 ( -0.941 -3.937 2.767) 4.903 4.194 ( 0.941 -3.937 2.767) 4.903 4.272 ( -2.476 -4.881 -1.064) 5.576 4.272 ( 2.476 -4.881 -1.064) 5.576 4.480 ( -6.219 -5.238 -3.960) 9.044 4.480 ( 6.219 -5.238 -3.960) 9.044 5.722 ( -0.606 7.493 -1.980) 7.774 5.722 ( 0.606 7.493 -1.980) 7.774 5.811 ( -0.147 -2.161 -0.750) 2.292 5.811 ( 0.147 -2.161 -0.750) 2.292 5.978 ( -1.563 6.315 1.813) 6.753 5.978 ( 1.563 6.315 1.813) 6.753 6.057 ( -1.064 3.876 -0.337) 4.034 6.057 ( 1.064 3.876 -0.337) 4.034 6.201 ( -3.971 5.641 1.610) 7.084 6.201 ( 3.971 5.641 1.610) 7.084 6.327 ( -2.769 2.928 -0.794) 4.108 6.327 ( 2.769 2.928 -0.794) 4.108 6.543 ( -2.695 3.004 2.619) 4.811 6.543 ( 2.695 3.004 2.619) 4.811 6.633 ( -0.864 1.468 -1.278) 2.129 6.633 ( 0.864 1.468 -1.278) 2.129 6.734 ( -3.398 0.206 1.474) 3.710 6.734 ( 3.398 0.206 1.474) 3.710 6.790 ( -4.337 2.360 0.294) 4.946 6.790 ( 4.337 2.360 0.294) 4.946 6.925 ( -5.946 1.509 -3.087) 6.868 6.925 ( 5.946 1.509 -3.087) 6.868 7.022 ( -6.180 0.883 0.666) 6.278 7.022 ( 6.180 0.883 0.666) 6.278 7.163 ( -0.755 2.432 0.488) 2.593 7.163 ( 0.755 2.432 0.488) 2.593 7.180 ( -1.135 2.701 -0.309) 2.946 7.180 ( 1.135 2.701 -0.309) 2.946 7.425 ( -2.385 0.559 1.339) 2.792 7.425 ( 2.385 0.559 1.339) 2.792 7.751 ( -0.193 2.460 -0.637) 2.549 7.751 ( 0.193 2.460 -0.637) 2.549 8.278 ( -0.344 -2.569 0.945) 2.759 8.278 ( 0.344 -2.569 0.945) 2.759 8.347 ( -0.426 -3.659 -0.060) 3.684 8.347 ( 0.426 -3.659 -0.060) 3.684 8.766 ( -0.881 -1.226 2.924) 3.291 8.766 ( 0.881 -1.226 2.924) 3.291 8.976 ( -1.538 -3.060 -6.171) 7.057 8.976 ( 1.538 -3.060 -6.171) 7.057 9.771 ( -2.727 -5.038 4.321) 7.176 9.771 ( 2.727 -5.038 4.321) 7.176 9.927 ( -3.212 -6.018 -0.828) 6.871 9.927 ( 3.212 -6.018 -0.828) 6.871 ======================= Grid point 75 (28/63) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 0.000 21.004 5.099) 21.614 1.050 ( 0.000 22.408 2.332) 22.529 1.248 ( 0.000 12.567 -4.426) 13.324 1.396 ( 0.000 7.872 -3.291) 8.532 1.560 ( 0.000 9.105 -7.210) 11.614 1.697 ( 0.000 1.486 -0.747) 1.663 1.725 ( 0.000 4.027 -0.836) 4.113 1.745 ( 0.000 5.117 0.851) 5.187 1.899 ( 0.000 9.741 -2.804) 10.137 1.915 ( 0.000 20.958 5.909) 21.775 2.008 ( 0.000 23.050 5.111) 23.610 2.018 ( 0.000 9.956 7.629) 12.543 2.096 ( 0.000 11.396 6.339) 13.040 2.228 ( 0.000 5.884 -1.238) 6.013 2.312 ( 0.000 11.790 -7.293) 13.863 2.412 ( 0.000 3.594 4.326) 5.624 2.488 ( 0.000 6.654 2.292) 7.038 2.530 ( 0.000 13.830 -2.734) 14.097 2.624 ( 0.000 0.773 4.771) 4.833 2.765 ( 0.000 4.482 -3.241) 5.531 2.798 ( 0.000 12.688 5.338) 13.765 2.924 ( 0.000 15.965 -2.796) 16.208 2.978 ( 0.000 5.810 -3.275) 6.670 3.099 ( 0.000 16.360 -10.639) 19.515 3.111 ( 0.000 12.654 -3.916) 13.246 3.154 ( 0.000 4.678 -9.527) 10.614 3.356 ( 0.000 11.003 5.142) 12.145 3.465 ( 0.000 -0.386 3.103) 3.127 3.544 ( 0.000 -0.775 1.726) 1.892 3.571 ( 0.000 -2.087 -1.502) 2.571 3.652 ( 0.000 -4.351 2.589) 5.063 3.658 ( 0.000 4.175 0.329) 4.188 3.919 ( 0.000 -1.983 2.542) 3.224 4.017 ( 0.000 -0.059 -1.397) 1.398 4.038 ( 0.000 -4.110 6.233) 7.466 4.109 ( 0.000 0.280 0.587) 0.650 4.130 ( 0.000 -2.284 -1.998) 3.035 4.206 ( 0.000 -7.619 -1.924) 7.858 4.235 ( 0.000 -2.812 4.845) 5.602 4.469 ( 0.000 -7.297 -4.440) 8.542 5.751 ( 0.000 -0.991 -1.473) 1.775 5.757 ( 0.000 -1.485 -1.880) 2.395 5.789 ( 0.000 -2.264 0.468) 2.312 5.825 ( 0.000 -4.082 -0.439) 4.106 5.902 ( 0.000 -1.714 0.736) 1.865 5.940 ( 0.000 -3.171 -0.625) 3.232 6.115 ( 0.000 10.650 0.183) 10.652 6.146 ( 0.000 11.209 -1.086) 11.261 6.317 ( 0.000 1.204 4.262) 4.429 6.439 ( 0.000 9.889 3.141) 10.375 6.505 ( 0.000 11.718 -3.344) 12.186 6.551 ( 0.000 2.927 0.381) 2.951 6.559 ( 0.000 1.061 -0.077) 1.064 6.571 ( 0.000 5.298 -0.598) 5.332 6.597 ( 0.000 -1.059 -1.808) 2.096 6.600 ( 0.000 4.882 1.760) 5.190 6.724 ( 0.000 1.637 -0.750) 1.801 6.742 ( 0.000 1.315 -0.904) 1.596 6.805 ( 0.000 4.674 1.610) 4.944 6.845 ( 0.000 5.357 2.054) 5.737 6.921 ( 0.000 -2.381 -1.236) 2.682 6.958 ( 0.000 5.639 -0.765) 5.691 7.038 ( 0.000 4.444 2.937) 5.327 7.190 ( 0.000 2.172 -0.663) 2.271 7.204 ( 0.000 5.933 0.424) 5.948 7.268 ( 0.000 6.035 0.243) 6.040 7.272 ( 0.000 3.982 -1.038) 4.115 7.298 ( 0.000 2.527 -5.641) 6.181 7.648 ( 0.000 0.064 2.697) 2.697 7.742 ( 0.000 0.084 -1.963) 1.964 7.764 ( 0.000 3.406 0.986) 3.546 7.795 ( 0.000 3.418 -0.490) 3.453 8.124 ( 0.000 -6.133 1.551) 6.326 8.183 ( 0.000 -4.127 -0.760) 4.196 8.220 ( 0.000 -6.597 0.333) 6.606 8.249 ( 0.000 -5.787 -1.272) 5.925 8.687 ( 0.000 -3.275 -0.004) 3.275 8.702 ( 0.000 -6.379 0.023) 6.379 8.850 ( 0.000 -3.707 -0.126) 3.709 8.981 ( 0.000 -1.304 -7.855) 7.962 9.628 ( 0.000 -5.857 2.469) 6.356 9.705 ( 0.000 -9.107 2.444) 9.430 9.742 ( 0.000 -9.972 3.694) 10.634 9.852 ( 0.000 -11.950 -0.323) 11.955 ======================= Grid point 76 (29/63) ======================= q-point: ( 0.25 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 4.578 18.110 5.893) 19.587 1.161 ( 6.378 19.458 5.681) 21.250 1.313 ( 4.196 9.646 -6.157) 12.188 1.417 ( 1.083 9.158 2.468) 9.546 1.538 ( -7.836 5.144 -3.645) 10.057 1.600 ( -1.170 8.385 -6.774) 10.843 1.722 ( -3.017 6.260 0.152) 6.951 1.751 ( 2.625 6.940 2.275) 7.761 1.856 ( -4.973 8.829 -6.496) 12.037 1.923 ( 0.591 6.329 -1.584) 6.551 2.050 ( 2.692 10.387 6.701) 12.651 2.071 ( 1.618 13.591 8.027) 15.867 2.141 ( 7.235 22.000 7.861) 24.457 2.235 ( -0.864 10.279 1.498) 10.423 2.292 ( 0.929 8.424 -6.063) 10.421 2.411 ( -4.333 6.201 -0.116) 7.565 2.459 ( 2.085 7.335 2.345) 7.978 2.555 ( 0.531 8.172 0.019) 8.189 2.640 ( 0.870 3.377 3.091) 4.660 2.706 ( -3.183 5.545 0.924) 6.460 2.831 ( 1.309 11.917 0.541) 12.001 2.896 ( -2.141 13.919 -2.071) 14.234 2.982 ( 1.114 9.837 -3.364) 10.456 3.036 ( -1.369 9.946 -1.714) 10.185 3.134 ( 1.234 16.782 -11.316) 20.279 3.186 ( -1.320 7.889 -10.922) 13.538 3.224 ( -8.193 13.850 2.979) 16.365 3.403 ( -5.073 4.299 -6.095) 9.021 3.558 ( 1.286 -0.725 6.358) 6.527 3.595 ( 1.655 -0.251 6.205) 6.427 3.672 ( 2.385 0.082 1.648) 2.900 3.734 ( 2.767 -4.359 -1.223) 5.306 3.929 ( 0.964 -0.370 3.749) 3.889 3.980 ( 0.252 -3.656 4.568) 5.856 4.098 ( -0.032 -2.450 0.641) 2.532 4.129 ( 2.511 -0.838 -0.790) 2.762 4.161 ( -0.158 -4.469 -0.067) 4.472 4.200 ( 1.903 -6.374 -1.500) 6.819 4.233 ( 1.366 -4.531 2.951) 5.577 4.442 ( -2.598 -7.532 -4.091) 8.957 5.750 ( 0.004 -1.367 -1.391) 1.951 5.763 ( 0.147 -2.491 -1.853) 3.108 5.784 ( -0.156 -0.584 -0.153) 0.623 5.818 ( -0.908 -2.752 -1.588) 3.305 5.957 ( 5.311 -1.219 1.946) 5.786 5.999 ( 5.017 -0.378 -0.122) 5.033 6.140 ( 1.031 8.146 0.216) 8.213 6.156 ( -0.276 6.942 0.326) 6.955 6.330 ( 1.497 3.265 1.883) 4.055 6.415 ( -2.167 11.408 1.969) 11.778 6.442 ( -5.496 1.527 0.382) 5.717 6.471 ( -3.544 10.281 -1.977) 11.053 6.566 ( 0.657 0.584 0.094) 0.885 6.593 ( 1.992 4.567 2.063) 5.392 6.619 ( 4.021 -0.119 0.297) 4.034 6.676 ( -2.288 1.064 -2.059) 3.257 6.716 ( 2.295 4.539 -1.689) 5.360 6.751 ( 3.207 3.834 -1.554) 5.234 6.824 ( -0.050 5.285 2.707) 5.938 6.878 ( 3.086 4.409 2.207) 5.817 6.943 ( 0.618 -0.667 -2.054) 2.247 6.953 ( 1.299 4.329 -0.813) 4.592 7.023 ( -1.557 5.366 3.350) 6.515 7.155 ( -2.719 3.025 -1.377) 4.294 7.204 ( -0.093 3.722 -0.296) 3.735 7.247 ( -1.085 4.379 1.389) 4.721 7.272 ( -0.796 5.615 0.356) 5.682 7.304 ( 0.429 3.600 -5.915) 6.938 7.528 ( -9.755 0.607 3.154) 10.270 7.580 ( -9.085 1.428 0.450) 9.208 7.802 ( 0.967 3.352 -0.854) 3.592 7.811 ( 0.803 4.098 -1.003) 4.294 8.159 ( 2.492 -5.927 1.153) 6.532 8.195 ( 0.696 -4.782 -0.276) 4.840 8.231 ( 0.889 -6.399 0.318) 6.468 8.254 ( 0.170 -6.007 -0.795) 6.061 8.699 ( 1.018 -3.450 0.525) 3.635 8.716 ( 0.871 -5.036 0.729) 5.162 8.864 ( 1.364 -3.849 -1.013) 4.207 8.959 ( -1.967 -2.166 -5.884) 6.571 9.630 ( 0.295 -6.258 2.557) 6.767 9.683 ( -1.909 -8.985 4.233) 10.114 9.744 ( 0.638 -8.653 0.180) 8.678 9.823 ( -2.366 -10.979 -0.735) 11.255 ======================= Grid point 77 (30/63) ======================= q-point: (-0.50 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -12.084 9.771 4.717) 16.240 1.203 ( 12.084 9.771 4.717) 16.240 1.314 ( -6.900 12.888 6.181) 15.872 1.314 ( 6.900 12.888 6.181) 15.872 1.555 ( -9.344 8.027 -4.799) 13.220 1.555 ( 9.344 8.027 -4.799) 13.220 1.708 ( -6.996 8.697 -10.645) 15.424 1.708 ( 6.996 8.697 -10.645) 15.424 1.872 ( -5.538 7.159 3.701) 9.779 1.872 ( 5.538 7.159 3.701) 9.779 2.081 ( -0.100 8.582 5.468) 10.176 2.081 ( 0.100 8.582 5.468) 10.176 2.261 ( -4.459 10.130 -0.060) 11.069 2.261 ( 4.459 10.130 -0.060) 11.069 2.313 ( -3.558 12.035 0.617) 12.565 2.313 ( 3.558 12.035 0.617) 12.565 2.527 ( -3.166 6.665 1.982) 7.640 2.527 ( 3.166 6.665 1.982) 7.640 2.656 ( -1.317 6.575 1.378) 6.846 2.656 ( 1.317 6.575 1.378) 6.846 2.856 ( -1.391 12.701 -0.731) 12.798 2.856 ( 1.391 12.701 -0.731) 12.798 3.044 ( -4.567 11.727 -3.732) 13.126 3.044 ( 4.567 11.727 -3.732) 13.126 3.080 ( -5.228 11.409 -1.192) 12.606 3.080 ( 5.228 11.409 -1.192) 12.606 3.266 ( -6.785 13.285 -10.800) 18.416 3.266 ( 6.785 13.285 -10.800) 18.416 3.597 ( -1.378 -0.115 5.039) 5.225 3.597 ( 1.378 -0.115 5.039) 5.225 3.731 ( -2.226 -3.433 1.579) 4.385 3.731 ( 2.226 -3.433 1.579) 4.385 3.971 ( -1.762 -2.224 4.033) 4.931 3.971 ( 1.762 -2.224 4.033) 4.931 4.116 ( -1.820 -3.311 2.964) 4.802 4.116 ( 1.820 -3.311 2.964) 4.802 4.180 ( -2.020 -4.250 -1.221) 4.861 4.180 ( 2.020 -4.250 -1.221) 4.861 4.352 ( -5.835 -7.530 -2.839) 9.940 4.352 ( 5.835 -7.530 -2.839) 9.940 5.755 ( -0.457 -2.536 -1.245) 2.862 5.755 ( 0.457 -2.536 -1.245) 2.862 5.797 ( -1.001 -0.141 -1.548) 1.849 5.797 ( 1.001 -0.141 -1.548) 1.849 6.078 ( -3.996 1.809 1.901) 4.781 6.078 ( 3.996 1.809 1.901) 4.781 6.123 ( -3.403 2.546 0.479) 4.277 6.123 ( 3.403 2.546 0.479) 4.277 6.371 ( -1.787 8.469 0.740) 8.687 6.371 ( 1.787 8.469 0.740) 8.687 6.391 ( -1.542 6.026 0.027) 6.220 6.391 ( 1.542 6.026 0.027) 6.220 6.596 ( -1.633 -0.522 0.042) 1.715 6.596 ( 1.633 -0.522 0.042) 1.715 6.661 ( -0.968 2.700 -2.185) 3.605 6.661 ( 0.968 2.700 -2.185) 3.605 6.775 ( -3.888 5.305 2.770) 7.137 6.775 ( 3.888 5.305 2.770) 7.137 6.879 ( -5.559 3.745 -2.712) 7.231 6.879 ( 5.559 3.745 -2.712) 7.231 6.957 ( -3.164 4.243 1.145) 5.415 6.957 ( 3.164 4.243 1.145) 5.415 7.065 ( -5.786 3.050 0.023) 6.541 7.065 ( 5.786 3.050 0.023) 6.541 7.221 ( -1.883 3.669 0.842) 4.209 7.221 ( 1.883 3.669 0.842) 4.209 7.266 ( -1.507 6.231 0.071) 6.411 7.266 ( 1.507 6.231 0.071) 6.411 7.437 ( -3.342 0.702 0.356) 3.433 7.437 ( 3.342 0.702 0.356) 3.433 7.816 ( -0.264 3.859 -1.135) 4.031 7.816 ( 0.264 3.859 -1.135) 4.031 8.198 ( -0.778 -5.606 0.260) 5.666 8.198 ( 0.778 -5.606 0.260) 5.666 8.249 ( -0.623 -6.174 0.015) 6.206 8.249 ( 0.623 -6.174 0.015) 6.206 8.720 ( -0.617 -3.599 1.299) 3.876 8.720 ( 0.617 -3.599 1.299) 3.876 8.907 ( -2.530 -3.534 -3.111) 5.345 8.907 ( 2.530 -3.534 -3.111) 5.345 9.646 ( -1.282 -7.385 3.115) 8.117 9.646 ( 1.282 -7.385 3.115) 8.117 9.772 ( -1.993 -9.298 -0.990) 9.560 9.772 ( 1.993 -9.298 -0.990) 9.560 ======================= Grid point 80 (31/63) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 0.000 17.429 0.924) 17.454 1.418 ( 0.000 14.216 -2.995) 14.528 1.543 ( 0.000 17.788 1.118) 17.823 1.591 ( 0.000 11.679 -2.308) 11.905 1.710 ( 0.000 6.203 -2.675) 6.755 1.737 ( 0.000 3.796 -2.032) 4.305 1.862 ( 0.000 8.319 1.336) 8.425 1.909 ( 0.000 11.451 -2.157) 11.653 2.060 ( 0.000 6.499 -4.865) 8.119 2.102 ( 0.000 7.215 -6.578) 9.764 2.199 ( 0.000 8.471 7.829) 11.535 2.300 ( 0.000 3.317 1.838) 3.792 2.330 ( 0.000 11.276 7.319) 13.443 2.494 ( 0.000 5.070 4.695) 6.910 2.498 ( 0.000 6.612 -0.786) 6.659 2.573 ( 0.000 16.469 2.147) 16.608 2.630 ( 0.000 6.897 2.064) 7.199 2.677 ( 0.000 2.240 -1.155) 2.520 2.725 ( 0.000 15.263 5.682) 16.287 2.857 ( 0.000 3.895 0.233) 3.902 2.992 ( 0.000 3.859 -2.252) 4.468 3.100 ( 0.000 6.945 2.547) 7.397 3.131 ( 0.000 1.316 -7.908) 8.017 3.332 ( 0.000 14.961 -4.839) 15.724 3.343 ( 0.000 8.567 1.792) 8.753 3.469 ( 0.000 4.964 -3.617) 6.142 3.496 ( 0.000 12.107 -0.193) 12.109 3.520 ( 0.000 10.764 -1.275) 10.839 3.558 ( 0.000 -1.823 3.322) 3.790 3.607 ( 0.000 7.661 -3.401) 8.382 3.669 ( 0.000 13.780 1.230) 13.834 3.708 ( 0.000 1.218 0.061) 1.220 3.913 ( 0.000 1.984 3.831) 4.314 3.981 ( 0.000 0.116 2.409) 2.412 4.017 ( 0.000 -0.667 -2.626) 2.709 4.045 ( 0.000 -7.604 -0.953) 7.663 4.133 ( 0.000 2.854 0.016) 2.854 4.148 ( 0.000 3.334 -0.661) 3.399 4.205 ( 0.000 0.058 3.094) 3.095 4.322 ( 0.000 -7.085 -1.711) 7.289 5.693 ( 0.000 -3.343 -0.489) 3.379 5.696 ( 0.000 -3.929 -0.999) 4.054 5.743 ( 0.000 -3.866 0.686) 3.926 5.768 ( 0.000 -1.316 -0.892) 1.590 5.874 ( 0.000 -0.687 0.407) 0.799 5.894 ( 0.000 -0.982 -0.381) 1.053 6.241 ( 0.000 -1.350 3.582) 3.828 6.280 ( 0.000 4.526 0.566) 4.562 6.402 ( 0.000 5.189 -0.756) 5.244 6.514 ( 0.000 -3.223 -3.720) 4.922 6.543 ( 0.000 0.093 3.661) 3.662 6.575 ( 0.000 1.767 0.161) 1.774 6.604 ( 0.000 4.476 -0.937) 4.573 6.608 ( 0.000 -3.361 2.430) 4.148 6.681 ( 0.000 3.540 1.701) 3.928 6.727 ( 0.000 8.260 -3.438) 8.947 6.784 ( 0.000 3.417 -4.291) 5.485 6.785 ( 0.000 3.447 -4.553) 5.711 6.924 ( 0.000 4.242 0.244) 4.249 6.927 ( 0.000 7.424 1.846) 7.650 7.034 ( 0.000 10.791 5.054) 11.916 7.088 ( 0.000 6.789 0.107) 6.790 7.116 ( 0.000 3.758 4.004) 5.491 7.232 ( 0.000 2.352 1.313) 2.694 7.333 ( 0.000 1.250 -4.745) 4.907 7.358 ( 0.000 5.102 1.886) 5.439 7.364 ( 0.000 8.805 -2.549) 9.166 7.390 ( 0.000 6.771 -0.101) 6.772 7.651 ( 0.000 0.260 2.159) 2.174 7.745 ( 0.000 -0.003 -2.512) 2.512 7.836 ( 0.000 0.221 0.432) 0.485 7.837 ( 0.000 3.679 0.148) 3.682 8.005 ( 0.000 -5.684 1.644) 5.917 8.080 ( 0.000 -6.314 -1.624) 6.519 8.093 ( 0.000 -5.652 0.600) 5.684 8.135 ( 0.000 -5.378 -1.296) 5.532 8.571 ( 0.000 -6.353 -0.195) 6.356 8.629 ( 0.000 -2.462 -2.721) 3.670 8.791 ( 0.000 -2.201 3.031) 3.746 8.923 ( 0.000 -4.197 -3.738) 5.620 9.505 ( 0.000 -6.510 1.413) 6.662 9.522 ( 0.000 -8.952 3.852) 9.746 9.566 ( 0.000 -8.487 -0.832) 8.528 9.621 ( 0.000 -11.277 -0.796) 11.305 ======================= Grid point 81 (32/63) ======================= q-point: ( 0.25 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 0.162 17.222 1.564) 17.294 1.495 ( 3.350 10.823 -3.952) 11.999 1.544 ( 0.251 16.842 0.619) 16.855 1.625 ( 2.654 11.624 -0.166) 11.924 1.653 ( -6.103 6.603 0.997) 9.047 1.745 ( 1.814 6.652 -4.214) 8.080 1.868 ( -0.468 8.509 0.955) 8.575 1.918 ( 1.831 10.450 -1.107) 10.667 1.999 ( -4.032 6.669 -5.976) 9.820 2.060 ( -2.579 7.173 -3.518) 8.396 2.219 ( 1.193 8.144 6.627) 10.567 2.271 ( -1.264 7.439 3.540) 8.335 2.353 ( -0.898 4.605 4.234) 6.319 2.471 ( 0.579 8.167 -4.298) 9.247 2.485 ( -3.540 2.849 1.144) 4.686 2.549 ( -2.129 8.748 -2.552) 9.358 2.658 ( 1.672 7.175 4.460) 8.612 2.669 ( 0.973 8.980 3.793) 9.797 2.758 ( 1.702 8.345 5.954) 10.392 2.806 ( -1.335 8.157 2.978) 8.785 3.041 ( 2.323 5.059 -4.573) 7.204 3.088 ( -0.405 5.391 -4.885) 7.286 3.196 ( 5.198 10.101 -0.163) 11.361 3.303 ( -1.657 16.312 -2.643) 16.607 3.357 ( -2.747 7.616 1.671) 8.267 3.428 ( 2.115 3.776 1.196) 4.490 3.502 ( -0.475 14.612 -2.008) 14.757 3.543 ( 1.081 11.346 -5.729) 12.757 3.601 ( 1.757 8.005 1.532) 8.337 3.627 ( -0.140 5.993 1.526) 6.186 3.691 ( 3.064 6.370 -0.778) 7.111 3.709 ( 0.040 1.469 -0.584) 1.582 3.908 ( -0.064 -1.310 2.730) 3.029 3.943 ( -1.910 1.682 -0.113) 2.548 4.048 ( 1.076 -4.492 0.149) 4.622 4.080 ( 2.656 -5.055 -0.472) 5.730 4.111 ( -1.215 1.845 0.344) 2.236 4.148 ( 0.241 2.674 -1.133) 2.914 4.182 ( -1.723 -0.404 3.190) 3.648 4.294 ( -2.622 -6.881 -1.454) 7.506 5.699 ( 0.321 -2.960 -0.509) 3.020 5.705 ( 0.264 -2.849 -1.114) 3.071 5.751 ( 0.987 -3.607 0.346) 3.755 5.771 ( 0.222 -1.122 -0.904) 1.457 5.934 ( 5.462 -0.749 1.171) 5.636 5.971 ( 6.544 -1.463 -0.496) 6.724 6.196 ( -4.045 -0.956 2.843) 5.035 6.254 ( -3.384 1.327 -0.228) 3.642 6.417 ( 1.029 3.260 0.140) 3.421 6.466 ( -1.432 2.033 1.116) 2.726 6.531 ( 0.286 -2.389 -1.008) 2.609 6.577 ( -1.562 3.959 1.422) 4.487 6.581 ( -2.227 -3.171 1.272) 4.078 6.635 ( 0.606 3.679 -1.181) 3.911 6.674 ( -2.331 6.483 -1.562) 7.064 6.744 ( -0.769 4.123 -5.544) 6.952 6.771 ( 5.566 2.270 1.172) 6.125 6.843 ( 3.571 4.692 -3.434) 6.823 6.917 ( -0.382 3.368 2.140) 4.008 6.974 ( 1.950 4.220 0.650) 4.694 7.032 ( 0.883 10.523 3.471) 11.116 7.085 ( 0.243 7.036 -0.329) 7.047 7.118 ( -0.039 4.641 3.975) 6.111 7.209 ( -2.395 2.873 -0.167) 3.744 7.303 ( -2.388 5.165 -0.602) 5.722 7.326 ( 0.299 3.351 -2.931) 4.462 7.399 ( 0.420 6.988 0.187) 7.003 7.403 ( 1.701 7.460 0.630) 7.677 7.553 ( -8.189 2.186 1.699) 8.644 7.613 ( -8.508 2.122 -0.439) 8.780 7.844 ( 1.563 0.054 -0.816) 1.764 7.882 ( 0.867 2.686 -1.873) 3.387 8.036 ( 2.207 -6.417 1.064) 6.869 8.081 ( 0.064 -6.486 -0.891) 6.548 8.105 ( 0.857 -5.974 0.454) 6.052 8.134 ( -0.228 -5.691 -0.723) 5.741 8.596 ( 2.081 -5.541 0.146) 5.920 8.644 ( 0.830 -2.738 -1.689) 3.322 8.802 ( 1.229 -2.400 1.980) 3.345 8.901 ( -2.006 -3.667 -2.681) 4.966 9.502 ( -0.248 -6.669 1.530) 6.846 9.512 ( -0.746 -8.264 3.012) 8.827 9.572 ( 0.498 -8.674 -0.806) 8.726 9.608 ( -1.016 -10.557 -0.889) 10.643 ======================= Grid point 82 (33/63) ======================= q-point: (-0.50 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -6.614 12.250 0.964) 13.955 1.424 ( 6.614 12.250 0.964) 13.955 1.577 ( -1.875 12.974 2.191) 13.291 1.577 ( 1.875 12.974 2.191) 13.291 1.718 ( -5.207 8.543 -3.236) 10.515 1.718 ( 5.207 8.543 -3.236) 10.515 1.886 ( -4.788 9.849 -6.297) 12.632 1.886 ( 4.788 9.849 -6.297) 12.632 2.006 ( -4.238 6.564 1.291) 7.919 2.006 ( 4.238 6.564 1.291) 7.919 2.245 ( -1.229 8.097 5.301) 9.756 2.245 ( 1.229 8.097 5.301) 9.756 2.368 ( -4.460 2.847 -0.772) 5.347 2.368 ( 4.460 2.847 -0.772) 5.347 2.512 ( -2.017 6.435 -3.959) 7.820 2.512 ( 2.017 6.435 -3.959) 7.820 2.678 ( -0.567 6.599 5.074) 8.343 2.678 ( 0.567 6.599 5.074) 8.343 2.795 ( -1.336 8.955 4.561) 10.138 2.795 ( 1.336 8.955 4.561) 10.138 3.076 ( -1.595 6.360 -4.677) 8.054 3.076 ( 1.595 6.360 -4.677) 8.054 3.273 ( -1.374 12.481 -1.554) 12.652 3.273 ( 1.374 12.481 -1.554) 12.652 3.378 ( -5.783 15.480 3.038) 16.802 3.378 ( 5.783 15.480 3.038) 16.802 3.532 ( -2.562 6.947 -1.933) 7.652 3.532 ( 2.562 6.947 -1.933) 7.652 3.627 ( -1.462 10.163 -1.273) 10.347 3.627 ( 1.462 10.163 -1.273) 10.347 3.718 ( -0.560 2.901 -0.789) 3.058 3.718 ( 0.560 2.901 -0.789) 3.058 3.917 ( -0.719 -1.951 0.795) 2.226 3.917 ( 0.719 -1.951 0.795) 2.226 4.070 ( -1.149 -1.666 0.869) 2.203 4.070 ( 1.149 -1.666 0.869) 2.203 4.131 ( -1.622 -0.246 0.602) 1.747 4.131 ( 1.622 -0.246 0.602) 1.747 4.216 ( -4.269 -5.091 -0.518) 6.664 4.216 ( 4.269 -5.091 -0.518) 6.664 5.704 ( -0.184 -2.374 -0.744) 2.495 5.704 ( 0.184 -2.374 -0.744) 2.495 5.772 ( -0.464 -1.989 -0.487) 2.100 5.772 ( 0.464 -1.989 -0.487) 2.100 6.076 ( -6.836 -0.950 2.064) 7.204 6.076 ( 6.836 -0.950 2.064) 7.204 6.131 ( -7.410 -1.257 -0.479) 7.531 6.131 ( 7.410 -1.257 -0.479) 7.531 6.451 ( -1.553 2.004 1.024) 2.734 6.451 ( 1.553 2.004 1.024) 2.734 6.535 ( -0.526 -0.021 0.657) 0.841 6.535 ( 0.526 -0.021 0.657) 0.841 6.573 ( -2.178 3.727 -0.696) 4.373 6.573 ( 2.178 3.727 -0.696) 4.373 6.710 ( -2.120 2.571 -3.888) 5.121 6.710 ( 2.120 2.571 -3.888) 5.121 6.880 ( -3.458 2.786 2.395) 5.046 6.880 ( 3.458 2.786 2.395) 5.046 6.941 ( -4.439 4.509 -0.758) 6.373 6.941 ( 4.439 4.509 -0.758) 6.373 7.081 ( -2.162 6.854 0.851) 7.237 7.081 ( 2.162 6.854 0.851) 7.237 7.141 ( -3.164 4.780 -0.371) 5.744 7.141 ( 3.164 4.780 -0.371) 5.744 7.312 ( -3.180 5.574 2.258) 6.803 7.312 ( 3.180 5.574 2.258) 6.803 7.414 ( -2.259 8.040 -0.754) 8.385 7.414 ( 2.259 8.040 -0.754) 8.385 7.460 ( -4.662 2.375 0.121) 5.233 7.460 ( 4.662 2.375 0.121) 5.233 7.876 ( -1.134 1.455 -1.918) 2.661 7.876 ( 1.134 1.455 -1.918) 2.661 8.073 ( -1.043 -6.794 -0.011) 6.873 8.073 ( 1.043 -6.794 -0.011) 6.873 8.123 ( -0.752 -6.142 0.124) 6.189 8.123 ( 0.752 -6.142 0.124) 6.189 8.639 ( -1.421 -3.984 0.060) 4.230 8.639 ( 1.421 -3.984 0.060) 4.230 8.847 ( -2.721 -2.783 -0.564) 3.933 8.847 ( 2.721 -2.783 -0.564) 3.933 9.500 ( -0.240 -7.272 1.923) 7.526 9.500 ( 0.240 -7.272 1.923) 7.526 9.587 ( -0.874 -9.320 -0.890) 9.403 9.587 ( 0.874 -9.320 -0.890) 9.403 ======================= Grid point 85 (34/63) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 0.000 10.707 -2.387) 10.970 1.652 ( 0.000 10.346 -2.152) 10.567 1.814 ( 0.000 6.243 1.570) 6.438 1.818 ( 0.000 5.353 0.705) 5.399 1.839 ( 0.000 12.894 1.213) 12.951 1.877 ( 0.000 12.188 0.248) 12.190 2.029 ( 0.000 8.770 -0.246) 8.773 2.126 ( 0.000 4.009 -4.325) 5.897 2.162 ( 0.000 10.244 -0.701) 10.268 2.231 ( 0.000 6.496 -4.014) 7.636 2.347 ( 0.000 6.159 2.693) 6.722 2.347 ( 0.000 1.251 2.039) 2.392 2.491 ( 0.000 5.101 8.839) 10.206 2.539 ( 0.000 0.272 4.078) 4.087 2.589 ( 0.000 2.722 -1.582) 3.148 2.687 ( 0.000 0.591 0.942) 1.112 2.689 ( 0.000 2.005 -3.147) 3.731 2.810 ( 0.000 2.744 -2.867) 3.969 2.876 ( 0.000 -1.941 3.124) 3.678 2.935 ( 0.000 -3.048 -3.314) 4.503 2.962 ( 0.000 5.745 0.559) 5.772 3.118 ( 0.000 -0.841 -8.594) 8.635 3.235 ( 0.000 4.903 8.491) 9.805 3.395 ( 0.000 -3.668 1.762) 4.069 3.455 ( 0.000 -4.595 0.715) 4.650 3.500 ( 0.000 -0.856 -2.447) 2.593 3.575 ( 0.000 10.984 1.389) 11.072 3.674 ( 0.000 7.377 -1.760) 7.584 3.779 ( 0.000 6.620 -1.289) 6.745 3.806 ( 0.000 13.044 3.139) 13.417 3.926 ( 0.000 5.116 -1.510) 5.335 3.927 ( 0.000 9.681 1.742) 9.837 3.951 ( 0.000 8.514 -0.049) 8.514 4.035 ( 0.000 3.298 0.392) 3.321 4.036 ( 0.000 8.182 -4.788) 9.480 4.108 ( 0.000 16.878 -2.137) 17.012 4.209 ( 0.000 4.044 1.677) 4.377 4.220 ( 0.000 -2.688 1.967) 3.331 4.257 ( 0.000 9.877 -0.512) 9.890 4.258 ( 0.000 5.229 0.217) 5.233 5.630 ( 0.000 -2.420 -0.058) 2.421 5.644 ( 0.000 -1.572 -0.616) 1.689 5.689 ( 0.000 -1.575 1.197) 1.978 5.737 ( 0.000 -1.471 -0.979) 1.767 5.880 ( 0.000 1.309 0.514) 1.406 5.903 ( 0.000 1.612 -0.512) 1.692 6.188 ( 0.000 -3.379 3.021) 4.533 6.275 ( 0.000 -3.735 -0.727) 3.805 6.438 ( 0.000 -0.420 -0.841) 0.940 6.451 ( 0.000 -3.330 -1.414) 3.618 6.508 ( 0.000 -4.634 1.614) 4.907 6.510 ( 0.000 -2.715 1.928) 3.330 6.672 ( 0.000 6.048 0.037) 6.048 6.672 ( 0.000 1.796 -1.439) 2.302 6.742 ( 0.000 2.489 2.429) 3.478 6.825 ( 0.000 1.853 -4.068) 4.470 6.855 ( 0.000 4.492 -2.444) 5.114 6.877 ( 0.000 5.835 -4.650) 7.461 6.981 ( 0.000 0.867 2.568) 2.711 7.053 ( 0.000 4.573 -0.409) 4.591 7.169 ( 0.000 2.581 3.700) 4.511 7.220 ( 0.000 5.892 2.058) 6.241 7.229 ( 0.000 7.843 2.418) 8.208 7.287 ( 0.000 3.352 3.544) 4.878 7.349 ( 0.000 0.507 -2.728) 2.774 7.470 ( 0.000 2.890 -3.215) 4.323 7.475 ( 0.000 6.641 1.262) 6.759 7.541 ( 0.000 6.416 -0.558) 6.440 7.654 ( 0.000 -0.074 1.526) 1.528 7.717 ( 0.000 -3.489 -1.912) 3.979 7.826 ( 0.000 0.669 1.733) 1.858 7.882 ( 0.000 0.306 -1.250) 1.287 7.917 ( 0.000 -3.187 -0.115) 3.189 7.953 ( 0.000 -6.115 -1.027) 6.201 8.021 ( 0.000 -2.096 0.829) 2.254 8.067 ( 0.000 -1.213 -1.363) 1.825 8.479 ( 0.000 -2.734 0.024) 2.734 8.594 ( 0.000 -1.251 -5.582) 5.721 8.763 ( 0.000 -0.802 3.339) 3.434 8.832 ( 0.000 -4.873 0.751) 4.931 9.372 ( 0.000 -6.228 1.851) 6.497 9.385 ( 0.000 -5.614 0.862) 5.680 9.417 ( 0.000 -6.703 -0.562) 6.727 9.430 ( 0.000 -8.088 -0.797) 8.127 ======================= Grid point 86 (35/63) ======================= q-point: ( 0.25 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -0.465 12.255 -0.922) 12.298 1.676 ( 0.686 8.258 -3.604) 9.036 1.783 ( -2.023 6.619 1.748) 7.139 1.806 ( -1.149 7.881 0.223) 7.967 1.856 ( 1.712 11.891 0.394) 12.020 1.901 ( 1.709 10.239 0.140) 10.381 2.029 ( 0.553 7.990 1.028) 8.075 2.116 ( -0.715 4.920 -2.759) 5.686 2.141 ( -0.827 11.824 -2.141) 12.045 2.190 ( -4.107 6.479 -2.933) 8.212 2.328 ( -0.383 0.621 1.962) 2.093 2.359 ( 0.474 4.684 1.008) 4.814 2.466 ( -2.445 5.350 5.430) 8.005 2.517 ( -5.030 0.974 -0.905) 5.203 2.545 ( 0.186 0.118 3.790) 3.796 2.639 ( -1.663 3.466 -1.144) 4.011 2.727 ( 1.254 1.089 1.735) 2.402 2.804 ( -2.117 0.974 3.573) 4.265 2.863 ( 2.669 6.475 -0.196) 7.006 2.991 ( 0.818 5.438 1.276) 5.645 3.022 ( 5.533 -5.541 -6.008) 9.869 3.121 ( 0.478 0.306 -5.414) 5.443 3.281 ( 2.273 -2.199 3.184) 4.488 3.372 ( -1.714 -1.275 2.169) 3.045 3.524 ( 6.464 -4.127 -0.133) 7.670 3.533 ( 2.680 5.619 -2.120) 6.577 3.612 ( 2.973 4.256 0.163) 5.194 3.677 ( 0.331 10.205 -0.268) 10.213 3.745 ( -3.045 4.409 -0.142) 5.360 3.837 ( 2.288 12.616 2.182) 13.006 3.853 ( -3.766 4.392 1.827) 6.067 3.943 ( -0.629 12.196 -0.628) 12.228 3.975 ( 0.905 7.816 -0.305) 7.874 4.010 ( -1.692 3.460 -0.165) 3.855 4.054 ( 1.228 4.332 -2.438) 5.120 4.115 ( 0.472 13.064 -2.670) 13.343 4.185 ( -1.301 5.688 2.255) 6.256 4.212 ( -0.912 2.745 0.880) 3.023 4.233 ( -1.182 7.463 0.328) 7.563 4.257 ( -0.741 7.860 -0.799) 7.935 5.650 ( 1.327 -1.803 -0.027) 2.238 5.666 ( 1.388 -1.100 -0.751) 1.924 5.697 ( 1.096 -1.631 1.208) 2.306 5.746 ( 0.332 -1.193 -1.091) 1.651 5.932 ( 4.739 0.648 0.778) 4.846 5.960 ( 5.341 0.413 -0.460) 5.377 6.157 ( -3.057 -2.526 2.449) 4.661 6.227 ( -4.325 -2.937 -0.700) 5.275 6.436 ( 0.168 -0.796 -0.375) 0.896 6.457 ( 0.422 -3.529 -0.998) 3.692 6.485 ( -1.561 -1.358 1.967) 2.855 6.503 ( -0.900 -4.087 1.012) 4.306 6.634 ( -0.910 2.649 0.615) 2.868 6.700 ( 1.401 2.273 -2.660) 3.768 6.768 ( -4.404 3.047 -1.469) 5.553 6.799 ( 0.361 1.657 -2.975) 3.425 6.834 ( 1.761 3.746 1.519) 4.410 6.932 ( 3.790 4.784 -3.631) 7.102 6.955 ( -1.702 0.687 3.120) 3.620 7.053 ( -0.446 2.790 -0.617) 2.892 7.176 ( 0.712 3.364 2.851) 4.467 7.206 ( -0.431 5.814 1.189) 5.950 7.235 ( 0.007 6.782 0.872) 6.838 7.274 ( -1.916 3.582 1.235) 4.246 7.359 ( 1.944 1.734 -1.218) 2.875 7.415 ( -0.937 4.641 -0.863) 4.813 7.520 ( -1.468 4.576 3.012) 5.672 7.545 ( 1.597 6.210 0.458) 6.428 7.613 ( -3.558 3.191 -0.102) 4.781 7.670 ( -5.989 3.848 -1.895) 7.367 7.792 ( 1.669 -4.229 0.918) 4.638 7.887 ( -0.426 -2.822 -2.681) 3.915 7.926 ( 0.530 -4.087 0.019) 4.122 7.955 ( -0.217 -6.048 -0.777) 6.102 8.025 ( 0.403 -2.546 0.386) 2.607 8.062 ( -0.660 -1.487 -1.116) 1.973 8.521 ( 3.332 -1.861 0.190) 3.821 8.608 ( 0.569 -0.880 -3.768) 3.912 8.768 ( 0.635 -1.359 2.527) 2.939 8.823 ( -0.864 -4.112 0.633) 4.249 9.372 ( 0.001 -5.883 1.565) 6.087 9.382 ( -0.333 -5.456 0.982) 5.553 9.419 ( 0.250 -6.817 -0.628) 6.851 9.428 ( -0.125 -7.665 -0.755) 7.703 ======================= Grid point 87 (36/63) ======================= q-point: (-0.50 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -1.984 10.271 -1.030) 10.512 1.649 ( 1.984 10.271 -1.030) 10.512 1.781 ( -1.301 8.030 0.198) 8.137 1.781 ( 1.301 8.030 0.198) 8.137 1.901 ( -1.855 10.118 -1.130) 10.349 1.901 ( 1.855 10.118 -1.130) 10.349 2.073 ( -3.588 8.093 -0.196) 8.855 2.073 ( 3.588 8.093 -0.196) 8.855 2.134 ( -0.106 7.435 -1.253) 7.540 2.134 ( 0.106 7.435 -1.253) 7.540 2.348 ( -1.863 0.861 -0.273) 2.070 2.348 ( 1.863 0.861 -0.273) 2.070 2.432 ( -0.903 5.079 1.641) 5.414 2.432 ( 0.903 5.079 1.641) 5.414 2.586 ( -2.719 1.977 3.378) 4.766 2.586 ( 2.719 1.977 3.378) 4.766 2.761 ( -2.119 2.113 0.479) 3.031 2.761 ( 2.119 2.113 0.479) 3.031 2.947 ( -4.128 5.567 3.022) 7.561 2.947 ( 4.128 5.567 3.022) 7.561 3.116 ( -2.026 -1.805 -4.886) 5.589 3.116 ( 2.026 -1.805 -4.886) 5.589 3.325 ( -2.756 -4.244 -1.381) 5.245 3.325 ( 2.756 -4.244 -1.381) 5.245 3.612 ( -2.171 8.087 0.781) 8.409 3.612 ( 2.171 8.087 0.781) 8.409 3.661 ( -3.458 -0.750 -1.182) 3.731 3.661 ( 3.458 -0.750 -1.182) 3.731 3.741 ( -5.833 7.133 2.044) 9.438 3.741 ( 5.833 7.133 2.044) 9.438 3.902 ( -2.948 9.457 1.345) 9.997 3.902 ( 2.948 9.457 1.345) 9.997 3.984 ( -0.671 7.592 -0.820) 7.666 3.984 ( 0.671 7.592 -0.820) 7.666 4.093 ( -2.187 2.762 -1.073) 3.683 4.093 ( 2.187 2.762 -1.073) 3.683 4.186 ( -1.065 10.133 0.795) 10.219 4.186 ( 1.065 10.133 0.795) 10.219 4.233 ( -1.130 7.948 -0.688) 8.058 4.233 ( 1.130 7.948 -0.688) 8.058 5.671 ( -0.569 -0.802 0.001) 0.983 5.671 ( 0.569 -0.802 0.001) 0.983 5.735 ( -1.487 -1.450 -0.391) 2.113 5.735 ( 1.487 -1.450 -0.391) 2.113 6.055 ( -5.426 -1.100 1.444) 5.722 6.055 ( 5.426 -1.100 1.444) 5.722 6.105 ( -6.406 -1.053 -0.481) 6.509 6.105 ( 6.406 -1.053 -0.481) 6.509 6.452 ( -1.333 -1.531 0.854) 2.202 6.452 ( 1.333 -1.531 0.854) 2.202 6.475 ( -1.330 -3.432 -0.281) 3.692 6.475 ( 1.330 -3.432 -0.281) 3.692 6.660 ( -3.744 3.098 0.385) 4.875 6.660 ( 3.744 3.098 0.385) 4.875 6.751 ( -2.840 1.228 -3.705) 4.827 6.751 ( 2.840 1.228 -3.705) 4.827 6.912 ( -2.905 1.388 3.243) 4.570 6.912 ( 2.905 1.388 3.243) 4.570 7.015 ( -3.306 2.699 -1.827) 4.643 7.015 ( 3.306 2.699 -1.827) 4.643 7.195 ( -0.817 4.600 1.546) 4.921 7.195 ( 0.817 4.600 1.546) 4.921 7.238 ( -0.671 4.630 -1.527) 4.921 7.238 ( 0.671 4.630 -1.527) 4.921 7.419 ( -4.464 4.755 2.869) 7.126 7.419 ( 4.464 4.755 2.869) 7.126 7.495 ( -5.537 2.965 0.055) 6.281 7.495 ( 5.537 2.965 0.055) 6.281 7.588 ( -0.944 7.172 -0.119) 7.235 7.588 ( 0.944 7.172 -0.119) 7.235 7.852 ( -2.813 -3.323 -2.113) 4.839 7.852 ( 2.813 -3.323 -2.113) 4.839 7.943 ( -0.850 -6.325 -0.002) 6.382 7.943 ( 0.850 -6.325 -0.002) 6.382 8.041 ( -1.088 -2.386 -0.661) 2.704 8.041 ( 1.088 -2.386 -0.661) 2.704 8.589 ( -2.428 -0.909 -0.664) 2.676 8.589 ( 2.428 -0.909 -0.664) 2.676 8.795 ( -1.631 -2.610 0.866) 3.197 8.795 ( 1.631 -2.610 0.866) 3.197 9.374 ( -0.250 -5.458 1.138) 5.581 9.374 ( 0.250 -5.458 1.138) 5.581 9.425 ( -0.211 -7.056 -0.650) 7.089 9.425 ( 0.211 -7.056 -0.650) 7.089 ======================= Grid point 90 (37/63) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 0.000 7.014 -1.186) 7.114 1.843 ( 0.000 8.889 -2.352) 9.195 1.899 ( 0.000 3.200 1.982) 3.764 1.906 ( 0.000 3.716 1.155) 3.891 2.030 ( 0.000 3.393 2.069) 3.974 2.064 ( 0.000 8.105 1.093) 8.178 2.128 ( 0.000 -0.573 0.898) 1.065 2.209 ( 0.000 8.780 -2.255) 9.065 2.317 ( 0.000 -3.531 1.385) 3.793 2.373 ( 0.000 7.059 -0.858) 7.111 2.393 ( 0.000 8.812 -1.403) 8.923 2.406 ( 0.000 1.918 -3.078) 3.626 2.524 ( 0.000 -1.819 3.572) 4.008 2.536 ( 0.000 0.361 4.427) 4.441 2.596 ( 0.000 0.365 -1.558) 1.600 2.667 ( 0.000 -4.019 -0.973) 4.135 2.703 ( 0.000 -0.804 -0.219) 0.833 2.755 ( 0.000 -2.514 -5.356) 5.917 2.806 ( 0.000 -4.485 2.602) 5.185 2.859 ( 0.000 -3.656 0.440) 3.683 3.121 ( 0.000 7.003 -1.260) 7.115 3.135 ( 0.000 2.418 -3.770) 4.479 3.280 ( 0.000 0.185 5.821) 5.824 3.297 ( 0.000 -5.107 2.001) 5.485 3.377 ( 0.000 -2.725 2.063) 3.418 3.406 ( 0.000 -6.691 -5.359) 8.573 3.737 ( 0.000 5.365 3.188) 6.241 3.807 ( 0.000 5.042 -3.142) 5.941 3.869 ( 0.000 4.102 3.906) 5.664 3.907 ( 0.000 4.047 -1.073) 4.187 4.035 ( 0.000 2.557 -2.604) 3.649 4.046 ( 0.000 4.224 -2.637) 4.979 4.095 ( 0.000 1.858 3.823) 4.251 4.147 ( 0.000 2.653 -1.679) 3.140 4.192 ( 0.000 6.192 2.365) 6.628 4.265 ( 0.000 4.261 -0.696) 4.318 4.303 ( 0.000 14.453 -0.527) 14.462 4.401 ( 0.000 8.966 -2.980) 9.449 4.497 ( 0.000 12.981 1.503) 13.067 4.502 ( 0.000 16.578 0.962) 16.606 5.609 ( 0.000 0.221 0.435) 0.488 5.632 ( 0.000 0.130 -0.622) 0.636 5.682 ( 0.000 0.733 0.831) 1.108 5.720 ( 0.000 -0.241 -0.829) 0.864 5.923 ( 0.000 2.979 0.582) 3.035 5.948 ( 0.000 2.880 -0.562) 2.934 6.123 ( 0.000 -3.164 1.506) 3.504 6.181 ( 0.000 -5.331 -1.032) 5.430 6.385 ( 0.000 -3.048 1.145) 3.256 6.413 ( 0.000 -1.902 -0.159) 1.908 6.434 ( 0.000 -2.952 0.298) 2.967 6.448 ( 0.000 -3.380 0.037) 3.381 6.709 ( 0.000 2.524 0.497) 2.573 6.768 ( 0.000 0.587 2.890) 2.949 6.789 ( 0.000 5.528 -2.333) 6.000 6.835 ( 0.000 -0.239 -0.829) 0.862 6.918 ( 0.000 0.194 -0.643) 0.672 6.981 ( 0.000 1.162 1.771) 2.119 6.984 ( 0.000 4.393 -4.456) 6.257 7.081 ( 0.000 -1.370 -3.051) 3.345 7.223 ( 0.000 3.052 4.086) 5.100 7.304 ( 0.000 1.048 0.221) 1.071 7.319 ( 0.000 4.147 1.986) 4.598 7.352 ( 0.000 0.691 -0.003) 0.691 7.371 ( 0.000 3.056 4.161) 5.163 7.465 ( 0.000 -3.290 -0.754) 3.375 7.592 ( 0.000 4.094 -1.948) 4.534 7.613 ( 0.000 1.145 0.808) 1.401 7.653 ( 0.000 1.016 0.924) 1.374 7.663 ( 0.000 -0.433 -1.816) 1.867 7.829 ( 0.000 -4.539 -0.693) 4.592 7.862 ( 0.000 0.504 0.541) 0.739 7.882 ( 0.000 0.697 -3.385) 3.456 7.896 ( 0.000 0.051 -0.282) 0.287 7.991 ( 0.000 -1.172 2.014) 2.331 8.062 ( 0.000 -0.349 -1.677) 1.713 8.465 ( 0.000 0.889 0.667) 1.111 8.572 ( 0.000 -1.280 -5.404) 5.554 8.750 ( 0.000 -0.777 1.597) 1.776 8.750 ( 0.000 -3.072 2.822) 4.172 9.284 ( 0.000 -2.959 0.608) 3.021 9.293 ( 0.000 -3.670 0.572) 3.714 9.311 ( 0.000 -4.192 0.015) 4.192 9.312 ( 0.000 -4.153 -0.388) 4.171 ======================= Grid point 91 (38/63) ======================= q-point: ( 0.25 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -0.095 6.452 -1.807) 6.701 1.831 ( -0.783 8.268 -2.112) 8.569 1.896 ( -0.048 4.929 1.610) 5.185 1.914 ( 0.804 4.486 1.366) 4.758 2.033 ( 0.441 3.518 2.202) 4.174 2.066 ( 0.112 7.386 1.082) 7.466 2.154 ( 2.225 -1.142 -0.308) 2.520 2.198 ( -0.555 8.206 -1.915) 8.445 2.272 ( -3.831 0.363 0.888) 3.949 2.340 ( -3.964 1.488 -2.332) 4.834 2.374 ( -0.327 6.824 -1.000) 6.905 2.389 ( -0.466 6.231 -1.071) 6.339 2.521 ( -0.853 0.837 2.623) 2.882 2.529 ( -0.346 0.548 3.275) 3.339 2.574 ( 0.214 2.343 2.702) 3.583 2.664 ( -2.350 -0.740 2.520) 3.524 2.731 ( 1.540 -0.824 -1.248) 2.147 2.772 ( 0.711 -3.747 0.976) 3.936 2.843 ( 5.802 -5.796 -6.379) 10.390 2.919 ( 2.893 -5.697 -3.708) 7.388 3.082 ( -1.031 5.342 0.838) 5.504 3.151 ( -2.506 1.510 3.132) 4.286 3.228 ( 1.195 -1.120 -3.047) 3.460 3.338 ( -2.398 -2.793 -2.995) 4.746 3.432 ( 7.068 -3.785 3.340) 8.686 3.476 ( 5.118 -5.496 -1.083) 7.588 3.665 ( -4.013 0.419 4.857) 6.314 3.793 ( -5.330 -0.374 0.929) 5.424 3.874 ( 3.085 8.592 1.193) 9.207 3.922 ( 0.991 5.105 -0.619) 5.237 4.019 ( -0.834 4.257 -2.717) 5.118 4.051 ( -1.077 2.922 -0.526) 3.158 4.097 ( 0.840 3.884 1.251) 4.166 4.138 ( -0.513 4.261 -1.317) 4.489 4.168 ( -2.062 4.589 -0.337) 5.042 4.204 ( -2.919 6.600 -0.461) 7.231 4.380 ( 4.104 12.844 0.239) 13.486 4.434 ( 2.431 10.604 -1.745) 11.018 4.485 ( -0.931 13.744 1.285) 13.836 4.502 ( -0.370 15.398 0.585) 15.413 5.637 ( 2.088 0.396 0.411) 2.164 5.660 ( 2.193 0.321 -0.707) 2.326 5.689 ( 0.535 0.635 0.989) 1.291 5.731 ( 0.475 -0.295 -0.912) 1.070 5.959 ( 3.300 2.067 0.624) 3.943 5.984 ( 3.458 1.889 -0.494) 3.971 6.108 ( -1.522 -2.329 1.326) 3.082 6.158 ( -2.173 -3.952 -0.865) 4.592 6.388 ( 0.339 -2.699 1.042) 2.912 6.415 ( 0.130 -1.671 -0.314) 1.705 6.432 ( -0.572 -3.026 0.549) 3.129 6.441 ( -0.676 -2.824 0.400) 2.931 6.682 ( -1.444 2.400 0.901) 2.942 6.727 ( -0.526 0.761 -0.988) 1.353 6.787 ( -4.055 -0.650 -1.240) 4.290 6.836 ( -2.644 1.695 -2.391) 3.947 6.886 ( 1.824 1.357 3.380) 4.074 6.969 ( -0.770 1.635 1.798) 2.549 7.015 ( 1.801 3.281 -3.415) 5.066 7.067 ( -1.050 -1.293 -2.462) 2.973 7.234 ( 1.007 2.798 2.930) 4.175 7.287 ( -0.413 2.467 -0.227) 2.512 7.323 ( -0.928 2.721 -0.321) 2.892 7.336 ( -2.114 2.325 0.108) 3.144 7.395 ( 3.589 1.872 1.798) 4.430 7.460 ( 0.806 -0.428 0.730) 1.168 7.571 ( -2.740 1.213 3.798) 4.838 7.642 ( 1.060 3.510 -0.438) 3.692 7.648 ( -0.667 0.283 -0.002) 0.725 7.712 ( 3.489 0.594 -1.912) 4.023 7.772 ( -5.600 2.533 -0.313) 6.154 7.812 ( -1.519 -3.784 -1.661) 4.403 7.845 ( -0.885 -3.126 0.452) 3.281 7.904 ( -0.868 -0.202 -2.494) 2.648 7.980 ( -0.424 -2.305 0.892) 2.507 8.043 ( -1.780 -1.299 -1.930) 2.929 8.521 ( 4.245 1.499 0.471) 4.526 8.604 ( 1.821 0.138 -4.102) 4.490 8.738 ( -0.387 -2.028 2.333) 3.116 8.756 ( -0.063 -2.291 1.665) 2.833 9.287 ( 0.245 -2.923 0.637) 3.002 9.295 ( 0.021 -3.361 0.735) 3.441 9.311 ( 0.235 -4.129 -0.369) 4.152 9.316 ( 0.212 -4.105 -0.243) 4.118 ======================= Grid point 92 (39/63) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -0.366 7.144 -1.914) 7.405 1.816 ( 0.366 7.144 -1.914) 7.405 1.913 ( -0.963 5.907 1.297) 6.123 1.913 ( 0.963 5.907 1.297) 6.123 2.055 ( -1.295 4.174 1.155) 4.520 2.055 ( 1.295 4.174 1.155) 4.520 2.189 ( -1.752 2.307 -0.249) 2.908 2.189 ( 1.752 2.307 -0.249) 2.908 2.251 ( -3.813 3.504 -1.349) 5.351 2.251 ( 3.813 3.504 -1.349) 5.351 2.377 ( -0.467 6.100 -0.967) 6.193 2.377 ( 0.467 6.100 -0.967) 6.193 2.515 ( -0.519 2.802 1.632) 3.284 2.515 ( 0.519 2.802 1.632) 3.284 2.609 ( -2.405 0.575 5.771) 6.279 2.609 ( 2.405 0.575 5.771) 6.279 2.765 ( -1.172 -1.428 -1.465) 2.358 2.765 ( 1.172 -1.428 -1.465) 2.358 2.942 ( -1.752 -7.531 -6.967) 10.408 2.942 ( 1.752 -7.531 -6.967) 10.408 3.089 ( -2.112 2.563 4.220) 5.370 3.089 ( 2.112 2.563 4.220) 5.370 3.278 ( -2.865 -0.839 -5.266) 6.054 3.278 ( 2.865 -0.839 -5.266) 6.054 3.546 ( -2.971 -5.191 3.024) 6.702 3.546 ( 2.971 -5.191 3.024) 6.702 3.656 ( -6.103 -2.992 3.075) 7.460 3.656 ( 6.103 -2.992 3.075) 7.460 3.927 ( -1.245 7.581 0.870) 7.732 3.927 ( 1.245 7.581 0.870) 7.732 4.016 ( -1.130 4.527 -1.484) 4.896 4.016 ( 1.130 4.527 -1.484) 4.896 4.123 ( -1.364 4.185 -0.889) 4.490 4.123 ( 1.364 4.185 -0.889) 4.490 4.153 ( -1.678 5.546 -0.965) 5.874 4.153 ( 1.678 5.546 -0.965) 5.874 4.451 ( -2.369 13.865 0.876) 14.093 4.451 ( 2.369 13.865 0.876) 14.093 4.481 ( -1.591 13.343 -0.382) 13.443 4.481 ( 1.591 13.343 -0.382) 13.443 5.674 ( -1.023 0.967 0.340) 1.449 5.674 ( 1.023 0.967 0.340) 1.449 5.720 ( -1.668 -0.217 -0.460) 1.743 5.720 ( 1.668 -0.217 -0.460) 1.743 6.041 ( -2.945 -0.216 0.811) 3.062 6.041 ( 2.945 -0.216 0.811) 3.062 6.089 ( -3.601 -0.810 -0.487) 3.723 6.089 ( 3.601 -0.810 -0.487) 3.723 6.405 ( -1.323 -2.438 0.985) 2.943 6.405 ( 1.323 -2.438 0.985) 2.943 6.424 ( -0.773 -2.121 -0.043) 2.258 6.424 ( 0.773 -2.121 -0.043) 2.258 6.695 ( -3.117 0.930 0.465) 3.286 6.695 ( 3.117 0.930 0.465) 3.286 6.756 ( -3.058 -0.540 -2.046) 3.718 6.756 ( 3.058 -0.540 -2.046) 3.718 6.942 ( -2.032 1.757 2.483) 3.658 6.942 ( 2.032 1.757 2.483) 3.658 7.046 ( -1.070 0.367 -2.226) 2.496 7.046 ( 1.070 0.367 -2.226) 2.496 7.266 ( -1.980 2.972 0.842) 3.669 7.266 ( 1.980 2.972 0.842) 3.669 7.307 ( -0.907 2.421 -1.955) 3.241 7.307 ( 0.907 2.421 -1.955) 3.241 7.485 ( -4.543 1.966 3.266) 5.930 7.485 ( 4.543 1.966 3.266) 5.930 7.540 ( -5.900 1.263 1.238) 6.159 7.540 ( 5.900 1.263 1.238) 6.159 7.685 ( -1.842 2.759 -0.013) 3.317 7.685 ( 1.842 2.759 -0.013) 3.317 7.792 ( -1.485 -2.746 -2.344) 3.904 7.792 ( 1.485 -2.746 -2.344) 3.904 7.856 ( -2.479 -1.466 0.071) 2.881 7.856 ( 2.479 -1.466 0.071) 2.881 7.999 ( -1.962 -2.460 -1.602) 3.531 7.999 ( 1.962 -2.460 -1.602) 3.531 8.600 ( -2.421 1.753 -0.998) 3.151 8.600 ( 2.421 1.753 -0.998) 3.151 8.745 ( -0.811 -2.537 1.408) 3.013 8.745 ( 0.811 -2.537 1.408) 3.013 9.292 ( -0.232 -2.973 0.680) 3.059 9.292 ( 0.232 -2.973 0.680) 3.059 9.317 ( -0.135 -4.057 -0.325) 4.072 9.317 ( 0.135 -4.057 -0.325) 4.072 ======================= Grid point 95 (40/63) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 0.000 2.715 1.037) 2.907 1.939 ( 0.000 0.819 0.924) 1.235 1.969 ( 0.000 6.125 0.565) 6.151 2.000 ( 0.000 5.294 -1.849) 5.608 2.063 ( 0.000 0.748 0.924) 1.189 2.063 ( 0.000 -2.583 0.308) 2.601 2.158 ( 0.000 -7.042 0.419) 7.054 2.166 ( 0.000 -1.656 0.633) 1.773 2.394 ( 0.000 2.391 -0.650) 2.477 2.399 ( 0.000 7.459 -0.254) 7.464 2.461 ( 0.000 -2.516 1.279) 2.822 2.497 ( 0.000 -2.088 -0.128) 2.092 2.521 ( 0.000 5.476 0.812) 5.536 2.594 ( 0.000 2.264 -0.278) 2.281 2.616 ( 0.000 -1.254 -0.291) 1.287 2.632 ( 0.000 1.163 -0.028) 1.163 2.636 ( 0.000 -0.106 -2.255) 2.258 2.713 ( 0.000 -1.720 -1.746) 2.451 2.740 ( 0.000 -1.671 0.064) 1.673 2.785 ( 0.000 -4.672 -2.414) 5.259 3.182 ( 0.000 2.121 -0.128) 2.125 3.211 ( 0.000 2.374 -0.983) 2.569 3.238 ( 0.000 -3.625 0.302) 3.638 3.239 ( 0.000 -1.186 0.066) 1.188 3.326 ( 0.000 -0.931 1.762) 1.993 3.335 ( 0.000 -1.507 2.672) 3.068 3.822 ( 0.000 3.298 0.876) 3.412 3.853 ( 0.000 0.205 -2.422) 2.430 3.954 ( 0.000 3.439 3.681) 5.037 3.966 ( 0.000 1.787 -0.882) 1.993 4.054 ( 0.000 0.387 -0.275) 0.475 4.080 ( 0.000 -1.676 4.236) 4.556 4.114 ( 0.000 2.383 -1.244) 2.688 4.154 ( 0.000 -1.367 -0.604) 1.495 4.298 ( 0.000 4.027 -1.514) 4.302 4.325 ( 0.000 1.246 -2.362) 2.671 4.522 ( 0.000 6.132 -3.022) 6.836 4.540 ( 0.000 3.883 -3.165) 5.009 4.702 ( 0.000 6.718 3.641) 7.642 4.720 ( 0.000 5.250 2.475) 5.804 5.626 ( 0.000 1.065 0.268) 1.098 5.637 ( 0.000 0.048 -0.243) 0.247 5.704 ( 0.000 1.167 0.154) 1.177 5.718 ( 0.000 -0.250 -0.459) 0.523 5.992 ( 0.000 4.088 0.249) 4.095 6.008 ( 0.000 3.105 -0.484) 3.143 6.066 ( 0.000 -2.854 0.174) 2.859 6.080 ( 0.000 -4.910 -0.455) 4.931 6.348 ( 0.000 -0.541 1.660) 1.746 6.367 ( 0.000 -2.291 1.011) 2.504 6.395 ( 0.000 -0.947 -0.249) 0.979 6.400 ( 0.000 -1.346 -0.631) 1.486 6.774 ( 0.000 3.969 1.599) 4.280 6.781 ( 0.000 1.116 2.448) 2.690 6.806 ( 0.000 -1.430 -0.367) 1.476 6.856 ( 0.000 -3.643 2.825) 4.610 6.912 ( 0.000 4.774 -2.749) 5.508 7.003 ( 0.000 -3.535 -4.127) 5.434 7.032 ( 0.000 2.535 -1.364) 2.878 7.055 ( 0.000 0.041 -2.468) 2.468 7.277 ( 0.000 2.281 2.801) 3.612 7.306 ( 0.000 -0.656 1.573) 1.704 7.353 ( 0.000 0.170 -0.327) 0.368 7.373 ( 0.000 0.042 -0.323) 0.326 7.397 ( 0.000 -1.150 3.012) 3.224 7.405 ( 0.000 0.276 3.593) 3.603 7.611 ( 0.000 -0.109 -0.771) 0.779 7.613 ( 0.000 -0.295 0.672) 0.734 7.687 ( 0.000 1.947 -2.403) 3.093 7.711 ( 0.000 1.674 -4.123) 4.450 7.768 ( 0.000 -0.264 1.466) 1.490 7.821 ( 0.000 -3.270 -2.675) 4.224 7.912 ( 0.000 1.238 0.543) 1.352 7.923 ( 0.000 1.005 0.859) 1.322 7.986 ( 0.000 1.328 -0.223) 1.347 8.034 ( 0.000 -2.538 -1.777) 3.098 8.497 ( 0.000 2.106 0.979) 2.322 8.539 ( 0.000 -2.068 -1.085) 2.335 8.720 ( 0.000 -0.144 0.571) 0.589 8.732 ( 0.000 -0.985 -0.073) 0.988 9.248 ( 0.000 -1.014 0.515) 1.137 9.250 ( 0.000 -0.833 0.208) 0.858 9.255 ( 0.000 -1.319 0.376) 1.372 9.260 ( 0.000 -1.387 -0.009) 1.387 ======================= Grid point 96 (41/63) ======================= q-point: ( 0.25 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( 0.198 4.323 0.135) 4.330 1.948 ( 1.061 3.044 -0.001) 3.224 1.978 ( 0.449 4.599 0.629) 4.664 2.005 ( 0.875 4.648 -0.342) 4.742 2.061 ( -0.287 0.890 1.466) 1.739 2.080 ( 1.124 -4.485 -0.202) 4.629 2.124 ( -2.607 -3.175 1.167) 4.271 2.146 ( -1.751 -5.672 -0.061) 5.937 2.387 ( -0.172 5.227 0.009) 5.230 2.395 ( -0.256 7.772 0.019) 7.776 2.471 ( 0.638 -1.117 0.908) 1.574 2.497 ( -0.175 -1.394 0.416) 1.466 2.533 ( 1.025 4.305 0.910) 4.518 2.583 ( -1.365 4.830 -0.909) 5.101 2.605 ( 0.413 0.841 0.515) 1.069 2.629 ( -0.478 -3.274 1.999) 3.866 2.686 ( 2.987 -1.176 -3.345) 4.637 2.710 ( 0.722 -0.543 -1.136) 1.452 2.763 ( 0.824 -3.410 -2.823) 4.503 2.791 ( 0.511 -6.231 -2.857) 6.874 3.170 ( -0.960 3.104 1.334) 3.512 3.185 ( -1.737 3.055 0.255) 3.524 3.218 ( 0.610 -1.335 -2.620) 3.003 3.258 ( -0.193 -4.524 -2.530) 5.187 3.388 ( 4.575 -0.546 3.818) 5.984 3.406 ( 6.193 -2.069 2.215) 6.894 3.690 ( -8.324 2.599 3.863) 9.537 3.752 ( -8.140 -3.167 1.705) 8.899 3.994 ( 2.388 3.452 0.833) 4.279 3.996 ( 1.332 2.346 -0.910) 2.847 4.049 ( -0.410 0.330 -0.325) 0.618 4.071 ( -0.865 -1.049 2.057) 2.466 4.157 ( 2.796 2.779 -1.113) 4.095 4.182 ( 2.266 0.531 -2.136) 3.159 4.270 ( -2.278 4.076 -2.449) 5.273 4.293 ( -2.447 1.907 -2.543) 4.011 4.576 ( 4.033 5.666 -1.229) 7.063 4.588 ( 3.695 4.216 -1.487) 5.800 4.692 ( -0.970 6.559 2.915) 7.243 4.709 ( -1.133 5.112 1.939) 5.584 5.655 ( 2.324 1.103 0.248) 2.584 5.667 ( 2.411 0.035 -0.284) 2.428 5.711 ( 0.311 1.208 0.280) 1.278 5.727 ( 0.404 -0.402 -0.434) 0.716 6.011 ( 1.640 3.181 0.264) 3.588 6.026 ( 1.598 2.203 -0.409) 2.752 6.066 ( -0.016 -2.055 0.218) 2.066 6.080 ( -0.071 -3.897 -0.386) 3.917 6.357 ( 0.771 -0.295 1.433) 1.654 6.377 ( 0.668 -2.030 0.772) 2.272 6.392 ( -0.354 -0.867 0.003) 0.937 6.397 ( -0.298 -1.299 -0.249) 1.356 6.731 ( -2.729 2.040 0.747) 3.488 6.739 ( -2.166 0.700 -0.241) 2.289 6.772 ( -3.098 -0.039 1.105) 3.289 6.815 ( -4.050 -2.970 1.755) 5.320 6.937 ( 2.202 3.782 -0.842) 4.457 7.005 ( 0.075 -0.956 -1.656) 1.913 7.023 ( -0.793 -0.166 -1.321) 1.550 7.047 ( -0.584 -0.265 -2.202) 2.293 7.283 ( 0.751 2.127 1.613) 2.773 7.307 ( 0.466 -0.143 -0.021) 0.488 7.357 ( -1.268 0.843 -0.037) 1.523 7.362 ( -0.893 0.479 -0.936) 1.379 7.418 ( 2.727 0.502 2.550) 3.767 7.431 ( 3.159 -1.359 1.954) 3.955 7.591 ( -1.856 1.304 2.612) 3.459 7.624 ( -0.560 -1.967 1.447) 2.505 7.689 ( 0.161 2.029 -0.940) 2.242 7.732 ( 0.656 -1.927 -2.157) 2.966 7.770 ( 0.432 1.845 -1.898) 2.682 7.799 ( -3.799 -0.304 -2.851) 4.760 7.844 ( -2.694 2.062 1.479) 3.701 7.890 ( -0.198 -2.138 -0.581) 2.225 7.958 ( -2.513 1.079 -0.474) 2.776 8.003 ( -2.534 -2.677 -1.962) 4.176 8.562 ( 4.686 2.267 0.791) 5.266 8.597 ( 4.157 -1.143 -0.923) 4.408 8.710 ( -1.052 -0.241 0.748) 1.314 8.724 ( -0.788 -1.305 0.074) 1.526 9.252 ( 0.311 -0.881 0.443) 1.034 9.255 ( 0.326 -0.807 0.278) 0.914 9.259 ( 0.259 -1.330 0.245) 1.377 9.263 ( 0.212 -1.418 0.007) 1.434 ======================= Grid point 97 (42/63) ======================= q-point: (-0.50 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -0.982 6.302 -1.009) 6.458 1.943 ( 0.982 6.302 -1.009) 6.458 2.012 ( -1.622 3.701 1.113) 4.191 2.012 ( 1.622 3.701 1.113) 4.191 2.062 ( -1.609 -2.566 1.776) 3.511 2.062 ( 1.609 -2.566 1.776) 3.511 2.112 ( -1.252 -5.406 -0.594) 5.581 2.112 ( 1.252 -5.406 -0.594) 5.581 2.390 ( -0.243 7.686 0.437) 7.703 2.390 ( 0.243 7.686 0.437) 7.703 2.486 ( -0.775 0.031 0.479) 0.912 2.486 ( 0.775 0.031 0.479) 0.912 2.557 ( -1.110 3.971 0.649) 4.174 2.557 ( 1.110 3.971 0.649) 4.174 2.616 ( -0.595 -0.188 1.313) 1.454 2.616 ( 0.595 -0.188 1.313) 1.454 2.724 ( -0.572 -1.387 -1.384) 2.041 2.724 ( 0.572 -1.387 -1.384) 2.041 2.784 ( -1.260 -6.843 -4.903) 8.512 2.784 ( 1.260 -6.843 -4.903) 8.512 3.162 ( -0.431 4.198 0.760) 4.288 3.162 ( 0.431 4.198 0.760) 4.288 3.240 ( -1.248 -3.445 -3.546) 5.099 3.240 ( 1.248 -3.445 -3.546) 5.099 3.509 ( -5.541 1.526 4.072) 7.044 3.509 ( 5.541 1.526 4.072) 7.044 3.575 ( -6.686 -4.452 3.602) 8.803 3.575 ( 6.686 -4.452 3.602) 8.803 4.018 ( -0.454 2.693 1.024) 2.917 4.018 ( 0.454 2.693 1.024) 2.917 4.050 ( -0.866 -0.556 0.032) 1.029 4.050 ( 0.866 -0.556 0.032) 1.029 4.214 ( -2.583 4.052 -2.653) 5.489 4.214 ( 2.583 4.052 -2.653) 5.489 4.237 ( -2.551 1.908 -2.915) 4.318 4.237 ( 2.551 1.908 -2.915) 4.318 4.654 ( -2.775 5.966 1.146) 6.678 4.654 ( 2.775 5.966 1.146) 6.678 4.665 ( -3.048 4.787 0.602) 5.707 4.665 ( 3.048 4.787 0.602) 5.707 5.700 ( -1.250 1.364 0.177) 1.859 5.700 ( 1.250 1.364 0.177) 1.859 5.717 ( -1.441 -0.361 -0.237) 1.505 5.717 ( 1.441 -0.361 -0.237) 1.505 6.047 ( -1.072 0.848 0.221) 1.384 6.047 ( 1.072 0.848 0.221) 1.384 6.069 ( -0.998 -1.204 -0.279) 1.589 6.069 ( 0.998 -1.204 -0.279) 1.589 6.377 ( -0.987 -0.376 0.813) 1.333 6.377 ( 0.987 -0.376 0.813) 1.333 6.388 ( -0.465 -1.390 0.280) 1.492 6.388 ( 0.465 -1.390 0.280) 1.492 6.711 ( -1.350 0.996 0.617) 1.788 6.711 ( 1.350 0.996 0.617) 1.788 6.736 ( -2.236 -1.371 -0.083) 2.624 6.736 ( 2.236 -1.371 -0.083) 2.624 6.983 ( -1.886 2.398 0.363) 3.072 6.983 ( 1.886 2.398 0.363) 3.072 7.028 ( -1.006 -1.949 -1.500) 2.657 7.028 ( 1.006 -1.949 -1.500) 2.657 7.314 ( -1.997 1.844 -0.243) 2.729 7.314 ( 1.997 1.844 -0.243) 2.729 7.332 ( -1.554 0.141 -1.421) 2.111 7.332 ( 1.554 0.141 -1.421) 2.111 7.509 ( -4.626 1.208 3.066) 5.680 7.509 ( 4.626 1.208 3.066) 5.680 7.538 ( -5.596 -1.348 1.944) 6.076 7.538 ( 5.596 -1.348 1.944) 6.076 7.721 ( -2.584 1.410 -0.492) 2.985 7.721 ( 2.584 1.410 -0.492) 2.985 7.747 ( -1.404 -1.586 -0.906) 2.304 7.747 ( 1.404 -1.586 -0.906) 2.304 7.878 ( -3.575 2.706 -1.222) 4.647 7.878 ( 3.575 2.706 -1.222) 4.647 7.941 ( -2.791 -3.379 -1.814) 4.743 7.941 ( 2.791 -3.379 -1.814) 4.743 8.645 ( -1.921 2.588 -0.339) 3.241 8.645 ( 1.921 2.588 -0.339) 3.241 8.696 ( -1.349 -2.567 0.800) 3.008 8.696 ( 1.349 -2.567 0.800) 3.008 9.257 ( -0.099 -0.695 0.374) 0.795 9.257 ( 0.099 -0.695 0.374) 0.795 9.264 ( -0.148 -1.464 0.053) 1.472 9.264 ( 0.148 -1.464 0.053) 1.472 ======================= Grid point 130 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 0.000 0.000 -17.469) 17.469 0.707 ( 0.000 0.000 17.469) 17.469 0.930 ( 0.000 0.000 -23.399) 23.399 0.930 ( 0.000 0.000 23.399) 23.399 1.489 ( 0.000 0.000 -15.486) 15.486 1.489 ( 0.000 0.000 15.486) 15.486 1.636 ( 0.000 0.000 -5.511) 5.511 1.636 ( 0.000 0.000 5.511) 5.511 1.681 ( 0.000 0.000 -2.242) 2.242 1.681 ( 0.000 0.000 2.242) 2.242 1.777 ( 0.000 0.000 -7.139) 7.139 1.777 ( 0.000 0.000 7.139) 7.139 1.910 ( 0.000 0.000 -3.533) 3.533 1.910 ( 0.000 0.000 3.533) 3.533 1.932 ( 0.000 0.000 -7.037) 7.037 1.932 ( 0.000 0.000 7.037) 7.037 2.100 ( 0.000 0.000 -1.375) 1.375 2.100 ( 0.000 0.000 1.375) 1.375 2.648 ( 0.000 0.000 -8.041) 8.041 2.648 ( 0.000 0.000 8.041) 8.041 2.692 ( 0.000 0.000 -0.520) 0.520 2.692 ( 0.000 0.000 0.520) 0.520 2.802 ( 0.000 0.000 -1.454) 1.454 2.802 ( 0.000 0.000 1.454) 1.454 2.867 ( 0.000 0.000 -11.834) 11.834 2.867 ( 0.000 0.000 11.834) 11.834 3.371 ( 0.000 0.000 -16.513) 16.513 3.371 ( 0.000 0.000 16.513) 16.513 3.516 ( 0.000 0.000 -2.155) 2.155 3.516 ( 0.000 0.000 2.155) 2.155 3.756 ( 0.000 0.000 -7.555) 7.555 3.756 ( 0.000 0.000 7.555) 7.555 4.032 ( 0.000 0.000 -1.619) 1.619 4.032 ( 0.000 0.000 1.619) 1.619 4.152 ( 0.000 0.000 -2.496) 2.496 4.152 ( 0.000 0.000 2.496) 2.496 4.309 ( 0.000 0.000 -6.354) 6.354 4.309 ( 0.000 0.000 6.354) 6.354 4.487 ( 0.000 0.000 -10.055) 10.055 4.487 ( 0.000 0.000 10.055) 10.055 5.626 ( 0.000 0.000 -1.201) 1.201 5.626 ( 0.000 0.000 1.201) 1.201 5.864 ( 0.000 0.000 -0.326) 0.326 5.864 ( 0.000 0.000 0.326) 0.326 5.889 ( 0.000 0.000 -1.305) 1.305 5.889 ( 0.000 0.000 1.305) 1.305 6.030 ( 0.000 0.000 -0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 -2.577) 2.577 6.092 ( 0.000 0.000 2.577) 2.577 6.348 ( 0.000 0.000 -3.412) 3.412 6.348 ( 0.000 0.000 3.412) 3.412 6.519 ( 0.000 0.000 -3.773) 3.773 6.519 ( 0.000 0.000 3.773) 3.773 6.596 ( 0.000 0.000 -1.413) 1.413 6.596 ( 0.000 0.000 1.413) 1.413 6.613 ( 0.000 0.000 -4.664) 4.664 6.613 ( 0.000 0.000 4.664) 4.664 6.810 ( 0.000 0.000 -0.519) 0.519 6.810 ( 0.000 0.000 0.519) 0.519 6.836 ( 0.000 0.000 -1.938) 1.938 6.836 ( 0.000 0.000 1.938) 1.938 7.029 ( 0.000 0.000 -7.637) 7.637 7.029 ( 0.000 0.000 7.637) 7.637 7.130 ( 0.000 0.000 -0.164) 0.164 7.130 ( 0.000 0.000 0.164) 0.164 7.159 ( 0.000 0.000 -0.623) 0.623 7.159 ( 0.000 0.000 0.623) 0.623 7.691 ( 0.000 0.000 -1.783) 1.783 7.691 ( 0.000 0.000 1.783) 1.783 7.708 ( 0.000 0.000 -1.440) 1.440 7.708 ( 0.000 0.000 1.440) 1.440 8.270 ( 0.000 0.000 -0.300) 0.300 8.270 ( 0.000 0.000 0.300) 0.300 8.362 ( 0.000 0.000 -0.060) 0.060 8.362 ( 0.000 0.000 0.060) 0.060 8.810 ( 0.000 0.000 -2.330) 2.330 8.810 ( 0.000 0.000 2.330) 2.330 8.875 ( 0.000 0.000 -2.667) 2.667 8.875 ( 0.000 0.000 2.667) 2.667 9.835 ( 0.000 0.000 -4.192) 4.192 9.835 ( 0.000 0.000 4.192) 4.192 10.188 ( 0.000 0.000 -2.656) 2.656 10.188 ( 0.000 0.000 2.656) 2.656 ======================= Grid point 132 (44/63) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 14.992 0.000 -13.138) 19.934 0.890 ( 14.992 0.000 13.138) 19.934 1.042 ( 9.481 0.000 -19.280) 21.485 1.042 ( 9.481 0.000 19.280) 21.485 1.504 ( -3.703 0.000 -7.684) 8.530 1.504 ( -3.703 0.000 7.684) 8.530 1.538 ( -8.387 0.000 -7.385) 11.175 1.538 ( -8.387 0.000 7.385) 11.175 1.619 ( -1.248 0.000 -19.642) 19.681 1.619 ( -1.248 0.000 19.642) 19.681 1.919 ( 0.567 0.000 -2.629) 2.690 1.919 ( 0.567 0.000 2.629) 2.690 1.935 ( 9.716 0.000 -10.573) 14.359 1.935 ( 9.716 0.000 10.573) 14.359 1.959 ( 5.141 0.000 -3.123) 6.015 1.959 ( 5.141 0.000 3.123) 6.015 2.103 ( 0.229 0.000 -1.029) 1.054 2.103 ( 0.229 0.000 1.029) 1.054 2.569 ( -6.373 0.000 -8.196) 10.382 2.569 ( -6.373 0.000 8.196) 10.382 2.710 ( 1.483 0.000 -0.720) 1.648 2.710 ( 1.483 0.000 0.720) 1.648 2.790 ( -1.008 0.000 -1.318) 1.660 2.790 ( -1.008 0.000 1.318) 1.660 2.820 ( -4.512 0.000 -15.075) 15.735 2.820 ( -4.512 0.000 15.075) 15.735 3.097 ( -14.601 0.000 -12.490) 19.214 3.097 ( -14.601 0.000 12.490) 19.214 3.634 ( 3.056 0.000 -3.635) 4.749 3.634 ( 3.056 0.000 3.635) 4.749 3.822 ( 3.178 0.000 -4.745) 5.711 3.822 ( 3.178 0.000 4.745) 5.711 4.052 ( 2.293 0.000 -4.469) 5.023 4.052 ( 2.293 0.000 4.469) 5.023 4.213 ( 5.302 0.000 -3.592) 6.404 4.213 ( 5.302 0.000 3.592) 6.404 4.313 ( -0.161 0.000 -3.112) 3.116 4.313 ( -0.161 0.000 3.112) 3.116 4.479 ( -0.825 0.000 -9.094) 9.131 4.479 ( -0.825 0.000 9.094) 9.131 5.620 ( -0.445 0.000 -0.785) 0.903 5.620 ( -0.445 0.000 0.785) 0.903 5.860 ( -0.266 0.000 -0.213) 0.341 5.860 ( -0.266 0.000 0.213) 0.341 5.907 ( 1.021 0.000 -2.818) 2.998 5.907 ( 1.021 0.000 2.818) 2.998 5.991 ( -2.001 0.000 -3.870) 4.357 5.991 ( -2.001 0.000 3.870) 4.357 6.126 ( 2.818 0.000 -2.678) 3.888 6.126 ( 2.818 0.000 2.678) 3.888 6.319 ( -2.417 0.000 -3.072) 3.909 6.319 ( -2.417 0.000 3.072) 3.909 6.560 ( 0.838 0.000 -3.042) 3.155 6.560 ( 0.838 0.000 3.042) 3.155 6.602 ( 0.449 0.000 -0.985) 1.083 6.602 ( 0.449 0.000 0.985) 1.083 6.641 ( 5.130 0.000 -1.179) 5.264 6.641 ( 5.130 0.000 1.179) 5.264 6.808 ( -0.109 0.000 -0.411) 0.425 6.808 ( -0.109 0.000 0.411) 0.425 6.847 ( -0.271 0.000 -1.970) 1.989 6.847 ( -0.271 0.000 1.970) 1.989 7.039 ( 0.495 0.000 -5.572) 5.594 7.039 ( 0.495 0.000 5.572) 5.594 7.134 ( 0.366 0.000 -0.399) 0.542 7.134 ( 0.366 0.000 0.399) 0.542 7.155 ( -0.351 0.000 -0.619) 0.712 7.155 ( -0.351 0.000 0.619) 0.712 7.559 ( -9.396 0.000 -0.342) 9.402 7.559 ( -9.396 0.000 0.342) 9.402 7.712 ( 0.678 0.000 -0.410) 0.792 7.712 ( 0.678 0.000 0.410) 0.792 8.300 ( 1.655 0.000 -0.714) 1.802 8.300 ( 1.655 0.000 0.714) 1.802 8.373 ( 0.768 0.000 -0.472) 0.901 8.373 ( 0.768 0.000 0.472) 0.901 8.829 ( 1.334 0.000 -3.192) 3.459 8.829 ( 1.334 0.000 3.192) 3.459 8.888 ( 0.809 0.000 -2.913) 3.024 8.888 ( 0.809 0.000 2.913) 3.024 9.848 ( 1.286 0.000 -4.080) 4.278 9.848 ( 1.286 0.000 4.080) 4.278 10.081 ( -7.408 0.000 -1.915) 7.651 10.081 ( -7.408 0.000 1.915) 7.651 ======================= Grid point 134 (45/63) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -0.000 0.000 0.000) 0.000 1.195 ( 0.000 0.000 -0.000) 0.000 1.236 ( 0.000 0.000 -0.000) 0.000 1.236 ( 0.000 0.000 0.000) 0.000 1.303 ( -0.000 0.000 0.000) 0.000 1.303 ( 0.000 0.000 0.000) 0.000 1.360 ( 0.000 0.000 0.000) 0.000 1.360 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 -0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 -0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.737 ( -0.000 0.000 -0.000) 0.000 2.737 ( -0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 -0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 -0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.846 ( 0.000 0.000 0.000) 0.000 3.846 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.087 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 -0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.317 ( 0.000 0.000 -0.000) 0.000 4.317 ( -0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 4.458 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 -0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 5.857 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 5.912 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 -0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 6.564 ( 0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 0.000) 0.000 6.739 ( 0.000 0.000 -0.000) 0.000 6.739 ( 0.000 0.000 0.000) 0.000 6.807 ( 0.000 0.000 0.000) 0.000 6.807 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 6.830 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.033 ( 0.000 0.000 0.000) 0.000 7.142 ( -0.000 0.000 -0.000) 0.000 7.142 ( 0.000 0.000 0.000) 0.000 7.147 ( 0.000 0.000 -0.000) 0.000 7.147 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.721 ( 0.000 0.000 0.000) 0.000 7.721 ( 0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 -0.000) 0.000 8.318 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 8.897 ( 0.000 0.000 -0.000) 0.000 8.897 ( 0.000 0.000 -0.000) 0.000 9.877 ( 0.000 0.000 0.000) 0.000 9.877 ( 0.000 0.000 0.000) 0.000 9.977 ( 0.000 0.000 0.000) 0.000 9.977 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 140 (46/63) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 0.000 11.888 -13.477) 17.971 0.834 ( 0.000 11.888 13.477) 17.971 0.985 ( 0.000 6.688 -21.673) 22.681 0.985 ( 0.000 6.688 21.673) 22.681 1.557 ( 0.000 2.102 -9.665) 9.891 1.557 ( 0.000 2.102 9.665) 9.891 1.711 ( 0.000 6.717 -1.233) 6.829 1.711 ( 0.000 6.717 1.233) 6.829 1.719 ( 0.000 2.361 -2.694) 3.583 1.719 ( 0.000 2.361 2.694) 3.583 1.861 ( 0.000 14.989 -20.011) 25.002 1.861 ( 0.000 14.989 20.011) 25.002 1.984 ( 0.000 6.884 -3.428) 7.690 1.984 ( 0.000 6.884 3.428) 7.690 2.014 ( 0.000 8.849 -3.304) 9.446 2.014 ( 0.000 8.849 3.304) 9.446 2.258 ( 0.000 13.258 -0.367) 13.263 2.258 ( 0.000 13.258 0.367) 13.263 2.661 ( 0.000 0.936 -3.510) 3.632 2.661 ( 0.000 0.936 3.510) 3.632 2.732 ( 0.000 4.520 -2.968) 5.408 2.732 ( 0.000 4.520 2.968) 5.408 2.864 ( 0.000 6.342 -1.671) 6.559 2.864 ( 0.000 6.342 1.671) 6.559 2.887 ( 0.000 2.457 -11.287) 11.551 2.887 ( 0.000 2.457 11.287) 11.551 3.410 ( 0.000 3.432 -14.527) 14.927 3.410 ( 0.000 3.432 14.527) 14.927 3.518 ( 0.000 0.195 -2.685) 2.692 3.518 ( 0.000 0.195 2.685) 2.692 3.716 ( 0.000 -3.021 -5.359) 6.152 3.716 ( 0.000 -3.021 5.359) 6.152 4.011 ( 0.000 -1.816 -1.954) 2.667 4.011 ( 0.000 -1.816 1.954) 2.667 4.132 ( 0.000 -1.771 -2.146) 2.783 4.132 ( 0.000 -1.771 2.146) 2.783 4.260 ( 0.000 -4.582 -5.796) 7.389 4.260 ( 0.000 -4.582 5.796) 7.389 4.448 ( 0.000 -3.749 -9.576) 10.284 4.448 ( 0.000 -3.749 9.576) 10.284 5.703 ( 0.000 4.975 -0.390) 4.991 5.703 ( 0.000 4.975 0.390) 4.991 5.864 ( 0.000 -2.495 -1.484) 2.902 5.864 ( 0.000 -2.495 1.484) 2.902 5.892 ( 0.000 4.136 -0.393) 4.154 5.892 ( 0.000 4.136 0.393) 4.154 6.013 ( 0.000 -0.422 -0.443) 0.612 6.013 ( 0.000 -0.422 0.443) 0.612 6.230 ( 0.000 10.680 -2.363) 10.938 6.230 ( 0.000 10.680 2.363) 10.938 6.394 ( 0.000 5.475 -0.643) 5.513 6.394 ( 0.000 5.475 0.643) 5.513 6.534 ( 0.000 0.442 -5.542) 5.560 6.534 ( 0.000 0.442 5.542) 5.560 6.563 ( 0.000 -0.311 -0.419) 0.522 6.563 ( 0.000 -0.311 0.419) 0.522 6.685 ( 0.000 4.366 -1.095) 4.501 6.685 ( 0.000 4.366 1.095) 4.501 6.781 ( 0.000 0.689 -1.578) 1.722 6.781 ( 0.000 0.689 1.578) 1.722 6.954 ( 0.000 0.599 -0.856) 1.044 6.954 ( 0.000 0.599 0.856) 1.044 7.000 ( 0.000 4.288 -8.166) 9.224 7.000 ( 0.000 4.288 8.166) 9.224 7.166 ( 0.000 1.079 -1.441) 1.801 7.166 ( 0.000 1.079 1.441) 1.801 7.185 ( 0.000 4.253 -1.264) 4.437 7.185 ( 0.000 4.253 1.264) 4.437 7.701 ( 0.000 0.152 -2.893) 2.897 7.701 ( 0.000 0.152 2.893) 2.897 7.723 ( 0.000 2.200 -0.469) 2.249 7.723 ( 0.000 2.200 0.469) 2.249 8.241 ( 0.000 -2.953 -0.581) 3.010 8.241 ( 0.000 -2.953 0.581) 3.010 8.326 ( 0.000 -3.604 -0.254) 3.613 8.326 ( 0.000 -3.604 0.254) 3.613 8.783 ( 0.000 -3.129 -2.264) 3.862 8.783 ( 0.000 -3.129 2.264) 3.862 8.879 ( 0.000 0.331 -0.407) 0.525 8.879 ( 0.000 0.331 0.407) 0.525 9.791 ( 0.000 -4.325 -3.784) 5.747 9.791 ( 0.000 -4.325 3.784) 5.747 10.066 ( 0.000 -10.889 -0.814) 10.920 10.066 ( 0.000 -10.889 0.814) 10.920 ======================= Grid point 142 (47/63) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 11.560 7.331 -12.541) 18.565 0.963 ( 11.560 7.331 12.541) 18.565 1.096 ( 9.438 6.222 -18.390) 21.586 1.096 ( 9.438 6.222 18.390) 21.586 1.492 ( -6.878 1.211 -6.519) 9.554 1.492 ( -6.878 1.211 6.519) 9.554 1.605 ( -9.203 5.097 -1.760) 10.667 1.605 ( -9.203 5.097 1.760) 10.667 1.745 ( 2.428 8.024 -10.055) 13.091 1.745 ( 2.428 8.024 10.055) 13.091 1.969 ( 3.087 6.453 -2.197) 7.483 1.969 ( 3.087 6.453 2.197) 7.483 1.996 ( 4.933 8.397 -8.569) 12.972 1.996 ( 4.933 8.397 8.569) 12.972 2.067 ( 5.288 11.226 -12.091) 17.326 2.067 ( 5.288 11.226 12.091) 17.326 2.265 ( 1.128 12.987 -0.649) 13.052 2.265 ( 1.128 12.987 0.649) 13.052 2.595 ( -5.626 2.705 -6.160) 8.770 2.595 ( -5.626 2.705 6.160) 8.770 2.739 ( 1.012 3.274 -0.979) 3.564 2.739 ( 1.012 3.274 0.979) 3.564 2.836 ( -3.355 4.440 -6.956) 8.908 2.836 ( -3.355 4.440 6.956) 8.908 2.866 ( -0.884 5.529 -5.259) 7.682 2.866 ( -0.884 5.529 5.259) 7.682 3.150 ( -13.465 5.447 -10.330) 17.823 3.150 ( -13.465 5.447 10.330) 17.823 3.639 ( 2.384 0.479 -3.168) 3.994 3.639 ( 2.384 0.479 3.168) 3.994 3.776 ( 4.040 -4.121 -4.475) 7.302 3.776 ( 4.040 -4.121 4.475) 7.302 4.035 ( 1.908 -1.495 -3.568) 4.313 4.035 ( 1.908 -1.495 3.568) 4.313 4.182 ( 4.487 -2.971 -2.630) 5.990 4.182 ( 4.487 -2.971 2.630) 5.990 4.262 ( 0.054 -4.605 -3.141) 5.575 4.262 ( 0.054 -4.605 3.141) 5.575 4.435 ( -1.311 -4.117 -8.923) 9.914 4.435 ( -1.311 -4.117 8.923) 9.914 5.703 ( 0.118 5.624 -0.248) 5.631 5.703 ( 0.118 5.624 0.248) 5.631 5.822 ( -2.121 -1.974 -0.384) 2.923 5.822 ( -2.121 -1.974 0.384) 2.923 5.951 ( 3.820 3.337 -1.546) 5.302 5.951 ( 3.820 3.337 1.546) 5.302 6.038 ( 1.233 3.098 -1.317) 3.585 6.038 ( 1.233 3.098 1.317) 3.585 6.220 ( -0.419 9.388 -2.921) 9.841 6.220 ( -0.419 9.388 2.921) 9.841 6.355 ( -2.692 3.182 -2.497) 4.859 6.355 ( -2.692 3.182 2.497) 4.859 6.559 ( 1.502 0.870 -3.789) 4.167 6.559 ( 1.502 0.870 3.789) 4.167 6.632 ( 4.025 1.681 -1.825) 4.728 6.632 ( 4.025 1.681 1.825) 4.728 6.647 ( -0.381 1.369 -1.440) 2.023 6.647 ( -0.381 1.369 1.440) 2.023 6.801 ( 0.841 1.715 -2.027) 2.785 6.801 ( 0.841 1.715 2.027) 2.785 6.928 ( -1.994 2.588 -1.519) 3.603 6.928 ( -1.994 2.588 1.519) 3.603 7.020 ( 0.995 1.292 -6.043) 6.260 7.020 ( 0.995 1.292 6.043) 6.260 7.166 ( 0.100 1.951 -0.922) 2.160 7.166 ( 0.100 1.951 0.922) 2.160 7.183 ( -0.295 3.342 -0.053) 3.355 7.183 ( -0.295 3.342 0.053) 3.355 7.565 ( -9.408 0.404 -0.833) 9.454 7.565 ( -9.408 0.404 0.833) 9.454 7.735 ( 0.674 2.351 -0.220) 2.455 7.735 ( 0.674 2.351 0.220) 2.455 8.269 ( 1.640 -3.090 -0.643) 3.557 8.269 ( 1.640 -3.090 0.643) 3.557 8.337 ( 0.779 -3.622 -0.502) 3.738 8.337 ( 0.779 -3.622 0.502) 3.738 8.799 ( 1.272 -3.095 -2.440) 4.141 8.799 ( 1.272 -3.095 2.440) 4.141 8.887 ( 0.438 -0.179 -2.075) 2.128 8.887 ( 0.438 -0.179 2.075) 2.128 9.801 ( 0.933 -4.661 -3.660) 5.999 9.801 ( 0.933 -4.661 3.660) 5.999 9.990 ( -5.422 -8.450 -2.743) 10.408 9.990 ( -5.422 -8.450 2.743) 10.408 ======================= Grid point 144 (48/63) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -0.000 5.406 0.000) 5.406 1.239 ( 0.000 5.406 -0.000) 5.406 1.254 ( -0.000 -2.374 0.000) 2.374 1.254 ( 0.000 -2.374 0.000) 2.374 1.345 ( 0.000 9.372 0.000) 9.372 1.345 ( -0.000 9.372 0.000) 9.372 1.383 ( 0.000 3.550 -0.000) 3.550 1.383 ( 0.000 3.550 0.000) 3.550 1.788 ( 0.000 8.760 0.000) 8.760 1.788 ( 0.000 8.760 0.000) 8.760 1.972 ( 0.000 5.900 0.000) 5.900 1.972 ( 0.000 5.900 0.000) 5.900 2.095 ( 0.000 5.050 -0.000) 5.050 2.095 ( 0.000 5.050 0.000) 5.050 2.133 ( -0.000 10.218 -0.000) 10.218 2.133 ( 0.000 10.218 0.000) 10.218 2.315 ( 0.000 14.316 0.000) 14.316 2.315 ( 0.000 14.316 0.000) 14.316 2.505 ( -0.000 3.838 0.000) 3.838 2.505 ( 0.000 3.838 0.000) 3.838 2.748 ( 0.000 1.723 -0.000) 1.723 2.748 ( 0.000 1.723 0.000) 1.723 2.785 ( 0.000 5.639 -0.000) 5.639 2.785 ( 0.000 5.639 0.000) 5.639 2.892 ( -0.000 8.672 -0.000) 8.672 2.892 ( 0.000 8.672 0.000) 8.672 2.940 ( 0.000 5.852 -0.000) 5.852 2.940 ( 0.000 5.852 0.000) 5.852 3.662 ( 0.000 -0.425 -0.000) 0.425 3.662 ( 0.000 -0.425 0.000) 0.425 3.816 ( 0.000 -3.059 0.000) 3.059 3.816 ( 0.000 -3.059 0.000) 3.059 4.060 ( 0.000 -2.135 0.000) 2.135 4.060 ( 0.000 -2.135 0.000) 2.135 4.245 ( 0.000 -4.312 0.000) 4.312 4.245 ( 0.000 -4.312 0.000) 4.312 4.276 ( 0.000 -3.983 -0.000) 3.983 4.276 ( -0.000 -3.983 0.000) 3.983 4.405 ( 0.000 -4.550 0.000) 4.550 4.405 ( 0.000 -4.550 0.000) 4.550 5.706 ( 0.000 6.650 0.000) 6.650 5.706 ( 0.000 6.650 0.000) 6.650 5.797 ( 0.000 -3.090 0.000) 3.090 5.797 ( 0.000 -3.090 0.000) 3.090 6.009 ( 0.000 3.757 0.000) 3.757 6.009 ( 0.000 3.757 0.000) 3.757 6.042 ( 0.000 8.049 0.000) 8.049 6.042 ( 0.000 8.049 -0.000) 8.049 6.221 ( 0.000 5.265 0.000) 5.265 6.221 ( 0.000 5.265 0.000) 5.265 6.317 ( 0.000 2.985 0.000) 2.985 6.317 ( 0.000 2.985 0.000) 2.985 6.578 ( 0.000 2.202 -0.000) 2.202 6.578 ( 0.000 2.202 0.000) 2.202 6.610 ( 0.000 0.330 -0.000) 0.330 6.610 ( 0.000 0.330 0.000) 0.330 6.769 ( 0.000 -0.663 -0.000) 0.663 6.769 ( 0.000 -0.663 0.000) 0.663 6.774 ( -0.000 2.616 -0.000) 2.616 6.774 ( -0.000 2.616 0.000) 2.616 6.898 ( 0.000 3.895 0.000) 3.895 6.898 ( 0.000 3.895 0.000) 3.895 7.025 ( 0.000 0.280 0.000) 0.280 7.025 ( 0.000 0.280 0.000) 0.280 7.169 ( 0.000 2.360 -0.000) 2.360 7.169 ( 0.000 2.360 0.000) 2.360 7.176 ( 0.000 3.002 0.000) 3.002 7.176 ( 0.000 3.002 0.000) 3.002 7.440 ( 0.000 0.072 0.000) 0.072 7.440 ( 0.000 0.072 0.000) 0.072 7.744 ( 0.000 2.293 0.000) 2.293 7.744 ( 0.000 2.293 0.000) 2.293 8.289 ( 0.000 -3.084 0.000) 3.084 8.289 ( 0.000 -3.084 0.000) 3.084 8.347 ( 0.000 -3.595 0.000) 3.595 8.347 ( 0.000 -3.595 0.000) 3.595 8.818 ( 0.000 -2.972 0.000) 2.972 8.818 ( 0.000 -2.972 0.000) 2.972 8.890 ( 0.000 -0.680 0.000) 0.680 8.890 ( 0.000 -0.680 -0.000) 0.680 9.821 ( 0.000 -5.435 0.000) 5.435 9.821 ( 0.000 -5.435 0.000) 5.435 9.914 ( 0.000 -6.209 0.000) 6.209 9.914 ( 0.000 -6.209 0.000) 6.209 ======================= Grid point 150 (49/63) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 0.000 15.113 -4.621) 15.804 1.109 ( 0.000 15.113 4.621) 15.804 1.210 ( 0.000 15.866 -9.420) 18.452 1.210 ( 0.000 15.866 9.420) 18.452 1.602 ( 0.000 3.677 -6.312) 7.305 1.602 ( 0.000 3.677 6.312) 7.305 1.774 ( 0.000 4.350 -0.819) 4.427 1.774 ( 0.000 4.350 0.819) 4.427 1.858 ( 0.000 8.136 -1.474) 8.268 1.858 ( 0.000 8.136 1.474) 8.268 2.136 ( 0.000 9.975 -6.113) 11.699 2.136 ( 0.000 9.975 6.113) 11.699 2.196 ( 0.000 12.422 -2.895) 12.755 2.196 ( 0.000 12.422 2.895) 12.755 2.337 ( 0.000 22.238 -14.150) 26.359 2.337 ( 0.000 22.238 14.150) 26.359 2.507 ( 0.000 10.785 -0.566) 10.800 2.507 ( 0.000 10.785 0.566) 10.800 2.684 ( 0.000 2.169 -3.449) 4.075 2.684 ( 0.000 2.169 3.449) 4.075 2.876 ( 0.000 9.583 -0.816) 9.618 2.876 ( 0.000 9.583 0.816) 9.618 2.979 ( 0.000 7.162 -6.911) 9.952 2.979 ( 0.000 7.162 6.911) 9.952 3.059 ( 0.000 14.538 -1.291) 14.595 3.059 ( 0.000 14.538 1.291) 14.595 3.461 ( 0.000 0.742 -6.500) 6.542 3.461 ( 0.000 0.742 6.500) 6.542 3.535 ( 0.000 2.326 -3.857) 4.504 3.535 ( 0.000 2.326 3.857) 4.504 3.677 ( 0.000 -0.722 -0.169) 0.741 3.677 ( 0.000 -0.722 0.169) 0.741 3.976 ( 0.000 -1.468 -3.154) 3.479 3.976 ( 0.000 -1.468 3.154) 3.479 4.099 ( 0.000 -1.341 -1.397) 1.937 4.099 ( 0.000 -1.341 1.397) 1.937 4.154 ( 0.000 -5.565 -3.797) 6.737 4.154 ( 0.000 -5.565 3.797) 6.737 4.356 ( 0.000 -5.143 -7.743) 9.295 4.356 ( 0.000 -5.143 7.743) 9.295 5.738 ( 0.000 -0.962 -0.167) 0.976 5.738 ( 0.000 -0.962 0.167) 0.976 5.804 ( 0.000 -3.152 -1.289) 3.405 5.804 ( 0.000 -3.152 1.289) 3.405 5.924 ( 0.000 -2.323 -1.256) 2.641 5.924 ( 0.000 -2.323 1.256) 2.641 6.125 ( 0.000 11.318 -0.975) 11.360 6.125 ( 0.000 11.318 0.975) 11.360 6.417 ( 0.000 4.468 -6.186) 7.630 6.417 ( 0.000 4.468 6.186) 7.630 6.504 ( 0.000 6.572 -4.073) 7.732 6.504 ( 0.000 6.572 4.073) 7.732 6.558 ( 0.000 0.805 -0.131) 0.815 6.558 ( 0.000 0.805 0.131) 0.815 6.612 ( 0.000 7.087 -0.733) 7.125 6.612 ( 0.000 7.087 0.733) 7.125 6.727 ( 0.000 -1.004 -0.585) 1.161 6.727 ( 0.000 -1.004 0.585) 1.161 6.834 ( 0.000 3.305 -1.682) 3.708 6.834 ( 0.000 3.305 1.682) 3.708 6.935 ( 0.000 3.837 -1.694) 4.194 6.935 ( 0.000 3.837 1.694) 4.194 7.133 ( 0.000 5.984 -6.791) 9.051 7.133 ( 0.000 5.984 6.791) 9.051 7.208 ( 0.000 3.251 -0.777) 3.343 7.208 ( 0.000 3.251 0.777) 3.343 7.276 ( 0.000 5.062 -0.405) 5.078 7.276 ( 0.000 5.062 0.405) 5.078 7.699 ( 0.000 -0.166 -2.837) 2.841 7.699 ( 0.000 -0.166 2.837) 2.841 7.782 ( 0.000 3.381 -0.924) 3.505 7.782 ( 0.000 3.381 0.924) 3.505 8.158 ( 0.000 -5.405 -1.993) 5.761 8.158 ( 0.000 -5.405 1.993) 5.761 8.229 ( 0.000 -5.997 -0.782) 6.048 8.229 ( 0.000 -5.997 0.782) 6.048 8.694 ( 0.000 -5.599 -0.724) 5.646 8.694 ( 0.000 -5.599 0.724) 5.646 8.877 ( 0.000 -0.682 -3.633) 3.696 8.877 ( 0.000 -0.682 3.633) 3.696 9.678 ( 0.000 -6.983 -2.772) 7.513 9.678 ( 0.000 -6.983 2.772) 7.513 9.827 ( 0.000 -12.740 -3.042) 13.098 9.827 ( 0.000 -12.740 3.042) 13.098 ======================= Grid point 152 (50/63) ======================= q-point: ( 0.25 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 5.301 11.894 -10.894) 16.978 1.154 ( 5.301 11.894 10.894) 16.978 1.298 ( 6.915 13.808 -10.005) 18.401 1.298 ( 6.915 13.808 10.005) 18.401 1.556 ( -4.506 5.247 -4.165) 8.074 1.556 ( -4.506 5.247 4.165) 8.074 1.732 ( -7.690 7.593 -4.587) 11.741 1.732 ( -7.690 7.593 4.587) 11.741 1.858 ( 3.699 5.476 -5.596) 8.659 1.858 ( 3.699 5.476 5.596) 8.659 2.142 ( -0.004 9.426 -2.896) 9.861 2.142 ( -0.004 9.426 2.896) 9.861 2.211 ( 1.853 11.631 -0.549) 11.790 2.211 ( 1.853 11.631 0.549) 11.790 2.357 ( -0.676 13.413 -8.008) 15.637 2.357 ( -0.676 13.413 8.008) 15.637 2.521 ( 2.791 13.423 -4.494) 14.428 2.521 ( 2.791 13.423 4.494) 14.428 2.671 ( -1.290 5.265 -2.670) 6.043 2.671 ( -1.290 5.265 2.670) 6.043 2.861 ( -0.758 8.943 -1.395) 9.083 2.861 ( -0.758 8.943 1.395) 9.083 2.976 ( 0.372 10.220 -4.937) 11.356 2.976 ( 0.372 10.220 4.937) 11.356 3.056 ( -0.257 14.945 -2.040) 15.086 3.056 ( -0.257 14.945 2.040) 15.086 3.297 ( -8.736 9.030 -5.212) 13.602 3.297 ( -8.736 9.030 5.212) 13.602 3.644 ( 1.174 -0.082 -3.537) 3.727 3.644 ( 1.174 -0.082 3.537) 3.727 3.692 ( 3.525 -3.805 -3.846) 6.457 3.692 ( 3.525 -3.805 3.846) 6.457 3.999 ( 1.525 -2.507 -2.644) 3.950 3.999 ( 1.525 -2.507 2.644) 3.950 4.120 ( 2.109 -2.430 -0.386) 3.241 4.120 ( 2.109 -2.430 0.386) 3.241 4.160 ( 0.559 -5.381 -1.981) 5.761 4.160 ( 0.559 -5.381 1.981) 5.761 4.338 ( -1.685 -5.353 -7.150) 9.090 4.338 ( -1.685 -5.353 7.150) 9.090 5.740 ( 0.152 -1.444 -0.390) 1.504 5.740 ( 0.152 -1.444 0.390) 1.504 5.791 ( -0.915 -1.423 -1.093) 2.014 5.791 ( -0.915 -1.423 1.093) 2.014 5.988 ( 5.534 -1.121 -1.252) 5.784 5.988 ( 5.534 -1.121 1.252) 5.784 6.149 ( 1.073 8.327 -0.738) 8.428 6.149 ( 1.073 8.327 0.738) 8.428 6.395 ( -1.662 2.435 -4.565) 5.434 6.395 ( -1.662 2.435 4.565) 5.434 6.446 ( -3.459 10.722 -1.354) 11.347 6.446 ( -3.459 10.722 1.354) 11.347 6.585 ( 0.799 -0.449 -1.907) 2.115 6.585 ( 0.799 -0.449 1.907) 2.115 6.649 ( 1.078 1.903 -2.706) 3.480 6.649 ( 1.078 1.903 2.706) 3.480 6.711 ( 2.238 3.927 -2.066) 4.970 6.711 ( 2.238 3.927 2.066) 4.970 6.878 ( 1.562 4.953 -2.657) 5.834 6.878 ( 1.562 4.953 2.657) 5.834 6.932 ( 0.706 2.603 -1.272) 2.982 6.932 ( 0.706 2.603 1.272) 2.982 7.105 ( -2.379 4.978 -4.717) 7.259 7.105 ( -2.379 4.978 4.717) 7.259 7.216 ( 0.642 3.029 -2.410) 3.924 7.216 ( 0.642 3.029 2.410) 3.924 7.271 ( -0.288 5.859 -0.621) 5.899 7.271 ( -0.288 5.859 0.621) 5.899 7.573 ( -9.113 0.505 -1.571) 9.262 7.573 ( -9.113 0.505 1.571) 9.262 7.796 ( 0.659 3.445 -0.357) 3.525 7.796 ( 0.659 3.445 0.357) 3.525 8.183 ( 1.497 -5.674 -1.207) 5.991 8.183 ( 1.497 -5.674 1.207) 5.991 8.240 ( 0.741 -6.070 -0.671) 6.152 8.240 ( 0.741 -6.070 0.671) 6.152 8.714 ( 1.572 -5.309 -0.893) 5.608 8.714 ( 1.572 -5.309 0.893) 5.608 8.876 ( -0.216 -1.017 -2.857) 3.040 8.876 ( -0.216 -1.017 2.857) 3.040 9.680 ( 0.220 -7.356 -2.594) 7.803 9.680 ( 0.220 -7.356 2.594) 7.803 9.792 ( -2.553 -11.109 -2.974) 11.780 9.792 ( -2.553 -11.109 2.974) 11.780 ======================= Grid point 154 (51/63) ======================= q-point: (-0.50 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.000 5.267 -0.000) 5.267 1.279 ( 0.000 5.267 0.000) 5.267 1.397 ( -0.000 10.100 0.000) 10.100 1.397 ( 0.000 10.100 0.000) 10.100 1.501 ( -0.000 8.229 0.000) 8.229 1.501 ( -0.000 8.229 0.000) 8.229 1.559 ( 0.000 12.241 -0.000) 12.241 1.559 ( 0.000 12.241 0.000) 12.241 1.922 ( 0.000 5.633 -0.000) 5.633 1.922 ( 0.000 5.633 0.000) 5.633 2.134 ( 0.000 9.380 0.000) 9.380 2.134 ( 0.000 9.380 0.000) 9.380 2.264 ( 0.000 10.255 -0.000) 10.255 2.264 ( 0.000 10.255 0.000) 10.255 2.302 ( -0.000 5.856 -0.000) 5.856 2.302 ( -0.000 5.856 0.000) 5.856 2.586 ( 0.000 11.587 0.000) 11.587 2.586 ( 0.000 11.587 0.000) 11.587 2.646 ( 0.000 10.048 0.000) 10.048 2.646 ( 0.000 10.048 0.000) 10.048 2.849 ( 0.000 8.557 0.000) 8.557 2.849 ( 0.000 8.557 0.000) 8.557 2.986 ( 0.000 14.498 0.000) 14.498 2.986 ( 0.000 14.498 0.000) 14.498 3.113 ( -0.000 14.280 -0.000) 14.280 3.113 ( -0.000 14.280 0.000) 14.280 3.125 ( 0.000 14.017 -0.000) 14.017 3.125 ( 0.000 14.017 0.000) 14.017 3.647 ( 0.000 -1.257 -0.000) 1.257 3.647 ( 0.000 -1.257 0.000) 1.257 3.739 ( 0.000 -4.148 0.000) 4.148 3.739 ( 0.000 -4.148 0.000) 4.148 4.016 ( 0.000 -2.870 -0.000) 2.870 4.016 ( 0.000 -2.870 0.000) 2.870 4.149 ( 0.000 -4.923 0.000) 4.923 4.149 ( 0.000 -4.923 0.000) 4.923 4.183 ( -0.000 -4.586 -0.000) 4.586 4.183 ( -0.000 -4.586 0.000) 4.586 4.305 ( 0.000 -5.421 -0.000) 5.421 4.305 ( 0.000 -5.421 0.000) 5.421 5.741 ( 0.000 -2.666 0.000) 2.666 5.741 ( 0.000 -2.666 0.000) 2.666 5.780 ( 0.000 0.869 0.000) 0.869 5.780 ( 0.000 0.869 0.000) 0.869 6.099 ( 0.000 3.153 -0.000) 3.153 6.099 ( 0.000 3.153 0.000) 3.153 6.128 ( -0.000 0.922 -0.000) 0.922 6.128 ( -0.000 0.922 0.000) 0.922 6.381 ( -0.000 4.594 -0.000) 4.594 6.381 ( -0.000 4.594 0.000) 4.594 6.390 ( 0.000 10.510 -0.000) 10.510 6.390 ( 0.000 10.510 0.000) 10.510 6.602 ( 0.000 -1.871 -0.000) 1.871 6.602 ( 0.000 -1.871 0.000) 1.871 6.631 ( 0.000 1.772 -0.000) 1.772 6.631 ( 0.000 1.772 0.000) 1.772 6.823 ( -0.000 6.118 0.000) 6.118 6.823 ( 0.000 6.118 0.000) 6.118 6.832 ( -0.000 3.981 -0.000) 3.981 6.832 ( 0.000 3.981 -0.000) 3.981 6.971 ( -0.000 4.200 0.000) 4.200 6.971 ( 0.000 4.200 0.000) 4.200 7.062 ( 0.000 3.124 0.000) 3.124 7.062 ( 0.000 3.124 0.000) 3.124 7.231 ( 0.000 4.268 0.000) 4.268 7.231 ( 0.000 4.268 0.000) 4.268 7.266 ( 0.000 6.163 0.000) 6.163 7.266 ( 0.000 6.163 0.000) 6.163 7.442 ( 0.000 0.245 0.000) 0.245 7.442 ( 0.000 0.245 0.000) 0.245 7.803 ( 0.000 3.434 0.000) 3.434 7.803 ( 0.000 3.434 0.000) 3.434 8.201 ( 0.000 -5.801 0.000) 5.801 8.201 ( 0.000 -5.801 0.000) 5.801 8.249 ( 0.000 -6.144 0.000) 6.144 8.249 ( 0.000 -6.144 0.000) 6.144 8.737 ( 0.000 -5.035 0.000) 5.035 8.737 ( 0.000 -5.035 0.000) 5.035 8.871 ( 0.000 -1.314 0.000) 1.314 8.871 ( 0.000 -1.314 0.000) 1.314 9.684 ( 0.000 -8.076 0.000) 8.076 9.684 ( 0.000 -8.076 0.000) 8.076 9.757 ( 0.000 -9.315 0.000) 9.315 9.757 ( 0.000 -9.315 0.000) 9.315 ======================= Grid point 160 (52/63) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 13.654 -0.275) 13.657 1.393 ( 0.000 13.654 0.275) 13.657 1.549 ( 0.000 17.719 -0.987) 17.747 1.549 ( 0.000 17.719 0.987) 17.747 1.702 ( 0.000 6.215 -1.438) 6.380 1.702 ( 0.000 6.215 1.438) 6.380 1.897 ( 0.000 8.047 -1.438) 8.175 1.897 ( 0.000 8.047 1.438) 8.175 2.018 ( 0.000 8.062 -1.550) 8.209 2.018 ( 0.000 8.062 1.550) 8.209 2.295 ( 0.000 6.239 -2.800) 6.839 2.295 ( 0.000 6.239 2.800) 6.839 2.441 ( 0.000 11.711 -5.017) 12.740 2.441 ( 0.000 11.711 5.017) 12.740 2.560 ( 0.000 2.920 -2.299) 3.716 2.560 ( 0.000 2.920 2.299) 3.716 2.677 ( 0.000 5.162 -0.263) 5.169 2.677 ( 0.000 5.162 0.263) 5.169 2.828 ( 0.000 10.405 -4.240) 11.235 2.828 ( 0.000 10.405 4.240) 11.235 2.999 ( 0.000 0.894 -4.865) 4.947 2.999 ( 0.000 0.894 4.865) 4.947 3.197 ( 0.000 14.517 -8.308) 16.726 3.197 ( 0.000 14.517 8.308) 16.726 3.391 ( 0.000 12.997 -3.573) 13.480 3.391 ( 0.000 12.997 3.573) 13.480 3.499 ( 0.000 8.870 -0.824) 8.908 3.499 ( 0.000 8.870 0.824) 8.908 3.599 ( 0.000 2.615 -0.524) 2.667 3.599 ( 0.000 2.615 0.524) 2.667 3.694 ( 0.000 5.267 -1.503) 5.477 3.694 ( 0.000 5.267 1.503) 5.477 3.966 ( 0.000 1.007 -2.877) 3.048 3.966 ( 0.000 1.007 2.877) 3.048 4.020 ( 0.000 -5.686 -1.780) 5.958 4.020 ( 0.000 -5.686 1.780) 5.958 4.137 ( 0.000 3.163 -0.505) 3.204 4.137 ( 0.000 3.163 0.505) 3.204 4.273 ( 0.000 -2.935 -3.791) 4.794 4.273 ( 0.000 -2.935 3.791) 4.794 5.687 ( 0.000 -3.379 -0.031) 3.379 5.687 ( 0.000 -3.379 0.031) 3.379 5.753 ( 0.000 -2.332 -0.663) 2.425 5.753 ( 0.000 -2.332 0.663) 2.425 5.884 ( 0.000 -0.925 -0.650) 1.131 5.884 ( 0.000 -0.925 0.650) 1.131 6.285 ( 0.000 2.374 -0.574) 2.443 6.285 ( 0.000 2.374 0.574) 2.443 6.432 ( 0.000 0.564 -4.361) 4.398 6.432 ( 0.000 0.564 4.361) 4.398 6.584 ( 0.000 3.029 -0.646) 3.097 6.584 ( 0.000 3.029 0.646) 3.097 6.611 ( 0.000 -1.844 -2.797) 3.351 6.611 ( 0.000 -1.844 2.797) 3.351 6.708 ( 0.000 3.981 -1.846) 4.388 6.708 ( 0.000 3.981 1.846) 4.388 6.726 ( 0.000 4.142 -1.837) 4.531 6.726 ( 0.000 4.142 1.837) 4.531 6.932 ( 0.000 6.343 -0.591) 6.370 6.932 ( 0.000 6.343 0.591) 6.370 7.084 ( 0.000 8.937 -0.898) 8.982 7.084 ( 0.000 8.937 0.898) 8.982 7.222 ( 0.000 3.245 -6.921) 7.644 7.222 ( 0.000 3.245 6.921) 7.644 7.290 ( 0.000 5.065 -4.550) 6.809 7.290 ( 0.000 5.065 4.550) 6.809 7.388 ( 0.000 6.436 -0.928) 6.502 7.388 ( 0.000 6.436 0.928) 6.502 7.696 ( 0.000 -0.159 -2.792) 2.796 7.696 ( 0.000 -0.159 2.792) 2.796 7.839 ( 0.000 2.169 -0.038) 2.169 7.839 ( 0.000 2.169 0.038) 2.169 8.042 ( 0.000 -6.211 -2.378) 6.651 8.042 ( 0.000 -6.211 2.378) 6.651 8.110 ( 0.000 -5.579 -1.317) 5.732 8.110 ( 0.000 -5.579 1.317) 5.732 8.584 ( 0.000 -5.233 -1.836) 5.546 8.584 ( 0.000 -5.233 1.836) 5.546 8.854 ( 0.000 -1.572 -3.900) 4.205 8.854 ( 0.000 -1.572 3.900) 4.205 9.535 ( 0.000 -7.370 -1.661) 7.555 9.535 ( 0.000 -7.370 1.661) 7.555 9.592 ( 0.000 -11.093 -2.596) 11.393 9.592 ( 0.000 -11.093 2.596) 11.393 ======================= Grid point 162 (53/63) ======================= q-point: ( 0.25 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 1.496 12.969 -4.977) 13.971 1.404 ( 1.496 12.969 4.977) 13.971 1.585 ( 2.559 14.542 -3.312) 15.132 1.585 ( 2.559 14.542 3.312) 15.132 1.685 ( -1.519 7.754 -2.437) 8.269 1.685 ( -1.519 7.754 2.437) 8.269 1.895 ( -3.206 9.251 -3.440) 10.377 1.895 ( -3.206 9.251 3.440) 10.377 1.984 ( 0.745 7.284 -4.492) 8.590 1.984 ( 0.745 7.284 4.492) 8.590 2.293 ( -0.014 5.807 -1.819) 6.085 2.293 ( -0.014 5.807 1.819) 6.085 2.423 ( -1.839 8.964 -2.277) 9.430 2.423 ( -1.839 8.964 2.277) 9.430 2.495 ( -4.376 4.076 -2.036) 6.317 2.495 ( -4.376 4.076 2.036) 6.317 2.722 ( 2.582 6.082 -0.671) 6.641 2.722 ( 2.582 6.082 0.671) 6.641 2.833 ( 0.490 9.354 -1.403) 9.472 2.833 ( 0.490 9.354 1.403) 9.472 3.003 ( 0.685 3.430 -2.187) 4.125 3.003 ( 0.685 3.430 2.187) 4.125 3.233 ( 2.263 14.433 -4.282) 15.224 3.233 ( 2.263 14.433 4.282) 15.224 3.399 ( 0.635 13.130 -3.611) 13.632 3.399 ( 0.635 13.130 3.611) 13.632 3.484 ( 0.102 12.994 -2.185) 13.177 3.484 ( 0.102 12.994 2.185) 13.177 3.643 ( 0.966 -0.090 -1.736) 1.988 3.643 ( 0.966 -0.090 1.736) 1.988 3.688 ( 0.447 6.980 -1.366) 7.127 3.688 ( 0.447 6.980 1.366) 7.127 3.935 ( -1.355 -2.618 -0.859) 3.070 3.935 ( -1.355 -2.618 0.859) 3.070 4.060 ( 2.270 -4.023 -1.230) 4.780 4.060 ( 2.270 -4.023 1.230) 4.780 4.125 ( -0.468 2.403 -1.195) 2.725 4.125 ( -0.468 2.403 1.195) 2.725 4.250 ( -2.066 -3.166 -3.568) 5.198 4.250 ( -2.066 -3.166 3.568) 5.198 5.694 ( 0.295 -2.590 -0.103) 2.609 5.694 ( 0.295 -2.590 0.103) 2.609 5.757 ( 0.465 -2.047 -0.520) 2.162 5.757 ( 0.465 -2.047 0.520) 2.162 5.956 ( 6.243 -1.308 -1.185) 6.487 5.956 ( 6.243 -1.308 1.185) 6.487 6.239 ( -4.210 0.226 -1.634) 4.522 6.239 ( -4.210 0.226 1.634) 4.522 6.443 ( 1.034 2.117 -2.558) 3.477 6.443 ( 1.034 2.117 2.558) 3.477 6.559 ( -1.284 -1.322 -3.290) 3.771 6.559 ( -1.284 -1.322 3.290) 3.771 6.608 ( -1.600 2.904 -1.850) 3.797 6.608 ( -1.600 2.904 1.850) 3.797 6.675 ( -1.625 3.968 -2.559) 4.994 6.675 ( -1.625 3.968 2.559) 4.994 6.796 ( 5.583 4.073 -1.842) 7.153 6.796 ( 5.583 4.073 1.842) 7.153 6.955 ( 1.065 4.093 -2.083) 4.715 6.955 ( 1.065 4.093 2.083) 4.715 7.075 ( -0.164 8.728 -1.102) 8.799 7.075 ( -0.164 8.728 1.102) 8.799 7.195 ( -3.052 4.275 -3.252) 6.178 7.195 ( -3.052 4.275 3.252) 6.178 7.284 ( 1.192 4.152 -0.564) 4.356 7.284 ( 1.192 4.152 0.564) 4.356 7.407 ( 0.999 7.804 -0.401) 7.878 7.407 ( 0.999 7.804 0.401) 7.878 7.591 ( -8.177 1.502 -2.067) 8.567 7.591 ( -8.177 1.502 2.067) 8.567 7.848 ( 0.529 1.286 -1.419) 1.987 7.848 ( 0.529 1.286 1.419) 1.987 8.059 ( 1.112 -6.677 -1.458) 6.925 8.059 ( 1.112 -6.677 1.458) 6.925 8.118 ( 0.496 -5.781 -0.931) 5.877 8.118 ( 0.496 -5.781 0.931) 5.877 8.611 ( 2.047 -4.789 -1.570) 5.440 8.611 ( 2.047 -4.789 1.570) 5.440 8.849 ( -0.477 -1.676 -3.013) 3.481 8.849 ( -0.477 -1.676 3.013) 3.481 9.531 ( -0.327 -7.570 -1.350) 7.697 9.531 ( -0.327 -7.570 1.350) 7.697 9.581 ( -0.719 -10.163 -2.015) 10.385 9.581 ( -0.719 -10.163 2.015) 10.385 ======================= Grid point 164 (54/63) ======================= q-point: (-0.50 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( 0.000 10.236 -0.000) 10.236 1.439 ( 0.000 10.236 0.000) 10.236 1.601 ( 0.000 10.350 0.000) 10.350 1.601 ( 0.000 10.350 0.000) 10.350 1.684 ( 0.000 10.145 0.000) 10.145 1.684 ( -0.000 10.145 0.000) 10.145 1.812 ( 0.000 13.445 0.000) 13.445 1.812 ( 0.000 13.445 0.000) 13.445 2.030 ( 0.000 5.613 -0.000) 5.613 2.030 ( 0.000 5.613 0.000) 5.613 2.289 ( 0.000 5.700 0.000) 5.700 2.289 ( 0.000 5.700 0.000) 5.700 2.380 ( 0.000 3.338 -0.000) 3.338 2.380 ( 0.000 3.338 0.000) 3.338 2.450 ( 0.000 8.628 -0.000) 8.628 2.450 ( -0.000 8.628 0.000) 8.628 2.750 ( 0.000 5.716 0.000) 5.716 2.750 ( 0.000 5.716 0.000) 5.716 2.841 ( 0.000 9.178 0.000) 9.178 2.841 ( 0.000 9.178 0.000) 9.178 3.016 ( 0.000 6.023 -0.000) 6.023 3.016 ( 0.000 6.023 0.000) 6.023 3.254 ( 0.000 11.078 0.000) 11.078 3.254 ( 0.000 11.078 0.000) 11.078 3.432 ( -0.000 16.403 -0.000) 16.403 3.432 ( 0.000 16.403 0.000) 16.403 3.476 ( 0.000 16.712 -0.000) 16.712 3.476 ( 0.000 16.712 0.000) 16.712 3.630 ( 0.000 3.669 0.000) 3.669 3.630 ( 0.000 3.669 0.000) 3.669 3.707 ( 0.000 2.851 -0.000) 2.851 3.707 ( 0.000 2.851 0.000) 2.851 3.926 ( 0.000 -5.316 -0.000) 5.316 3.926 ( 0.000 -5.316 0.000) 5.316 4.074 ( 0.000 -2.411 0.000) 2.411 4.074 ( 0.000 -2.411 0.000) 2.411 4.144 ( 0.000 0.829 -0.000) 0.829 4.144 ( 0.000 0.829 0.000) 0.829 4.208 ( 0.000 -4.014 -0.000) 4.014 4.208 ( 0.000 -4.014 0.000) 4.014 5.696 ( 0.000 -1.920 0.000) 1.920 5.696 ( 0.000 -1.920 0.000) 1.920 5.766 ( 0.000 -1.761 0.000) 1.761 5.766 ( 0.000 -1.761 0.000) 1.761 6.111 ( 0.000 -0.775 -0.000) 0.775 6.111 ( 0.000 -0.775 0.000) 0.775 6.113 ( -0.000 -1.803 -0.000) 1.803 6.113 ( -0.000 -1.803 0.000) 1.803 6.465 ( 0.000 2.243 0.000) 2.243 6.465 ( 0.000 2.243 0.000) 2.243 6.538 ( 0.000 -2.794 -0.000) 2.794 6.538 ( 0.000 -2.794 0.000) 2.794 6.573 ( 0.000 6.454 -0.000) 6.454 6.573 ( 0.000 6.454 0.000) 6.454 6.661 ( 0.000 2.089 0.000) 2.089 6.661 ( 0.000 2.089 0.000) 2.089 6.916 ( -0.000 3.701 0.000) 3.701 6.916 ( 0.000 3.701 0.000) 3.701 6.925 ( -0.000 3.457 -0.000) 3.457 6.925 ( 0.000 3.457 -0.000) 3.457 7.091 ( -0.000 7.527 0.000) 7.527 7.091 ( 0.000 7.527 0.000) 7.527 7.135 ( 0.000 4.302 0.000) 4.302 7.135 ( 0.000 4.302 0.000) 4.302 7.342 ( 0.000 6.930 -0.000) 6.930 7.342 ( 0.000 6.930 0.000) 6.930 7.396 ( 0.000 5.774 0.000) 5.774 7.396 ( 0.000 5.774 0.000) 5.774 7.466 ( 0.000 3.622 0.000) 3.622 7.466 ( 0.000 3.622 0.000) 3.622 7.854 ( 0.000 1.064 0.000) 1.064 7.854 ( 0.000 1.064 0.000) 1.064 8.074 ( 0.000 -6.952 0.000) 6.952 8.074 ( 0.000 -6.952 0.000) 6.952 8.124 ( 0.000 -6.149 0.000) 6.149 8.124 ( 0.000 -6.149 0.000) 6.149 8.640 ( 0.000 -4.450 0.000) 4.450 8.640 ( 0.000 -4.450 0.000) 4.450 8.841 ( 0.000 -1.727 0.000) 1.727 8.841 ( 0.000 -1.727 0.000) 1.727 9.525 ( 0.000 -7.853 0.000) 7.853 9.525 ( 0.000 -7.853 0.000) 7.853 9.573 ( 0.000 -9.184 0.000) 9.184 9.573 ( 0.000 -9.184 0.000) 9.184 ======================= Grid point 170 (55/63) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 0.000 10.569 -0.105) 10.569 1.629 ( 0.000 10.569 0.105) 10.569 1.825 ( 0.000 6.015 -0.093) 6.016 1.825 ( 0.000 6.015 0.093) 6.016 1.867 ( 0.000 14.381 -1.432) 14.452 1.867 ( 0.000 14.381 1.432) 14.452 2.055 ( 0.000 6.685 -3.153) 7.391 2.055 ( 0.000 6.685 3.153) 7.391 2.175 ( 0.000 8.768 -2.092) 9.014 2.175 ( 0.000 8.768 2.092) 9.014 2.374 ( 0.000 1.823 -0.358) 1.858 2.374 ( 0.000 1.823 0.358) 1.858 2.571 ( 0.000 1.180 -0.304) 1.219 2.571 ( 0.000 1.180 0.304) 1.219 2.622 ( 0.000 4.523 -4.492) 6.375 2.622 ( 0.000 4.523 4.492) 6.375 2.741 ( 0.000 -0.933 -4.894) 4.982 2.741 ( 0.000 -0.933 4.894) 4.982 2.912 ( 0.000 -1.731 -0.156) 1.738 2.912 ( 0.000 -1.731 0.156) 1.738 2.992 ( 0.000 3.086 -4.057) 5.097 2.992 ( 0.000 3.086 4.057) 5.097 3.367 ( 0.000 2.491 -5.156) 5.726 3.367 ( 0.000 2.491 5.156) 5.726 3.470 ( 0.000 -5.340 -0.948) 5.423 3.470 ( 0.000 -5.340 0.948) 5.423 3.612 ( 0.000 8.625 -3.262) 9.221 3.612 ( 0.000 8.625 3.262) 9.221 3.813 ( 0.000 11.975 -2.929) 12.328 3.813 ( 0.000 11.975 2.929) 12.328 3.940 ( 0.000 -1.567 -2.081) 2.605 3.940 ( 0.000 -1.567 2.081) 2.605 3.952 ( 0.000 15.228 -1.937) 15.350 3.952 ( 0.000 15.228 1.937) 15.350 4.063 ( 0.000 10.494 -2.466) 10.780 4.063 ( 0.000 10.494 2.466) 10.780 4.240 ( 0.000 7.493 -1.460) 7.634 4.240 ( 0.000 7.493 1.460) 7.634 4.250 ( 0.000 1.546 -1.145) 1.924 4.250 ( 0.000 1.546 1.145) 1.924 5.633 ( 0.000 -1.835 -0.470) 1.894 5.633 ( 0.000 -1.835 0.470) 1.894 5.714 ( 0.000 -1.483 -1.500) 2.109 5.714 ( 0.000 -1.483 1.500) 2.109 5.892 ( 0.000 1.481 -0.711) 1.643 5.892 ( 0.000 1.481 0.711) 1.643 6.245 ( 0.000 -4.326 -2.797) 5.152 6.245 ( 0.000 -4.326 2.797) 5.152 6.433 ( 0.000 -0.975 -0.423) 1.063 6.433 ( 0.000 -0.975 0.423) 1.063 6.529 ( 0.000 -4.719 -0.244) 4.725 6.529 ( 0.000 -4.719 0.244) 4.725 6.662 ( 0.000 4.005 -0.545) 4.042 6.662 ( 0.000 4.005 0.545) 4.042 6.788 ( 0.000 2.933 -2.029) 3.566 6.788 ( 0.000 2.933 2.029) 3.566 6.820 ( 0.000 5.508 -0.654) 5.546 6.820 ( 0.000 5.508 0.654) 5.546 7.022 ( 0.000 2.253 -2.252) 3.185 7.022 ( 0.000 2.253 2.252) 3.185 7.230 ( 0.000 5.247 -1.478) 5.451 7.230 ( 0.000 5.247 1.478) 5.451 7.276 ( 0.000 3.021 -4.778) 5.653 7.276 ( 0.000 3.021 4.778) 5.653 7.390 ( 0.000 4.639 -5.914) 7.516 7.390 ( 0.000 4.639 5.914) 7.516 7.510 ( 0.000 5.453 -2.415) 5.964 7.510 ( 0.000 5.453 2.415) 5.964 7.686 ( 0.000 -1.134 -1.819) 2.143 7.686 ( 0.000 -1.134 1.819) 2.143 7.854 ( 0.000 -0.429 -1.636) 1.691 7.854 ( 0.000 -0.429 1.636) 1.691 7.931 ( 0.000 -4.876 -1.364) 5.063 7.931 ( 0.000 -4.876 1.364) 5.063 8.041 ( 0.000 -1.413 -1.389) 1.981 8.041 ( 0.000 -1.413 1.389) 1.981 8.508 ( 0.000 -2.300 -3.482) 4.173 8.508 ( 0.000 -2.300 3.482) 4.173 8.818 ( 0.000 -2.146 -2.268) 3.122 8.818 ( 0.000 -2.146 2.268) 3.122 9.403 ( 0.000 -6.021 -0.981) 6.100 9.403 ( 0.000 -6.021 0.981) 6.100 9.407 ( 0.000 -7.661 -1.763) 7.862 9.407 ( 0.000 -7.661 1.763) 7.862 ======================= Grid point 172 (56/63) ======================= q-point: ( 0.25 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.289 10.292 -1.110) 10.356 1.632 ( 0.289 10.292 1.110) 10.356 1.803 ( -1.386 7.434 -0.596) 7.585 1.803 ( -1.386 7.434 0.596) 7.585 1.880 ( 0.719 12.143 -1.973) 12.323 1.880 ( 0.719 12.143 1.973) 12.323 2.065 ( 0.656 6.744 -2.712) 7.299 2.065 ( 0.656 6.744 2.712) 7.299 2.141 ( -2.008 9.450 -1.940) 9.854 2.141 ( -2.008 9.450 1.940) 9.854 2.359 ( -1.057 0.792 -1.370) 1.903 2.359 ( -1.057 0.792 1.370) 1.903 2.511 ( -4.219 2.289 -1.009) 4.905 2.511 ( -4.219 2.289 1.009) 4.905 2.607 ( -0.832 5.766 -3.144) 6.619 2.607 ( -0.832 5.766 3.144) 6.619 2.795 ( 2.499 0.131 -5.369) 5.923 2.795 ( 2.499 0.131 5.369) 5.923 2.919 ( 1.396 -2.292 -4.995) 5.670 2.919 ( 1.396 -2.292 4.995) 5.670 3.024 ( 2.689 3.319 -4.068) 5.899 3.024 ( 2.689 3.319 4.068) 5.899 3.357 ( -2.813 -2.509 -3.749) 5.316 3.357 ( -2.813 -2.509 3.749) 5.316 3.518 ( 5.958 0.172 -0.350) 5.970 3.518 ( 5.958 0.172 0.350) 5.970 3.633 ( 1.287 7.375 -2.394) 7.860 3.633 ( 1.287 7.375 2.394) 7.860 3.804 ( -1.261 8.059 -4.320) 9.231 3.804 ( -1.261 8.059 4.320) 9.231 3.909 ( -0.907 8.994 -3.199) 9.589 3.909 ( -0.907 8.994 3.199) 9.589 3.991 ( 0.968 7.620 -2.314) 8.022 3.991 ( 0.968 7.620 2.314) 8.022 4.058 ( 0.351 8.262 -3.110) 8.835 4.058 ( 0.351 8.262 3.110) 8.835 4.221 ( -1.406 7.144 -1.240) 7.386 4.221 ( -1.406 7.144 1.240) 7.386 4.237 ( -1.063 4.512 -1.180) 4.784 4.237 ( -1.063 4.512 1.180) 4.784 5.654 ( 1.439 -1.291 -0.495) 1.996 5.654 ( 1.439 -1.291 0.495) 1.996 5.722 ( 0.571 -1.321 -1.477) 2.062 5.722 ( 0.571 -1.321 1.477) 2.062 5.948 ( 5.176 0.478 -0.880) 5.272 5.948 ( 5.176 0.478 0.880) 5.272 6.202 ( -3.912 -3.135 -2.211) 5.479 6.202 ( -3.912 -3.135 2.211) 5.479 6.439 ( 0.643 -1.631 -0.787) 1.921 6.439 ( 0.643 -1.631 0.787) 1.921 6.511 ( -1.681 -3.457 -0.515) 3.878 6.511 ( -1.681 -3.457 0.515) 3.878 6.655 ( 0.166 2.741 -1.961) 3.374 6.655 ( 0.166 2.741 1.961) 3.374 6.758 ( -2.905 2.989 -0.889) 4.262 6.758 ( -2.905 2.989 0.889) 4.262 6.877 ( 4.566 4.381 -2.722) 6.889 6.877 ( 4.566 4.381 2.722) 6.889 7.011 ( -0.924 1.299 -3.231) 3.603 7.011 ( -0.924 1.299 3.231) 3.603 7.213 ( -0.949 5.137 -1.039) 5.326 7.213 ( -0.949 5.137 1.039) 5.326 7.267 ( -1.726 3.140 -3.125) 4.755 7.267 ( -1.726 3.140 3.125) 4.755 7.376 ( 1.123 4.810 -3.033) 5.796 7.376 ( 1.123 4.810 3.033) 5.796 7.555 ( 2.619 6.773 -1.198) 7.360 7.555 ( 2.619 6.773 1.198) 7.360 7.627 ( -5.815 1.804 -2.429) 6.555 7.627 ( -5.815 1.804 2.429) 6.555 7.830 ( -0.754 -2.779 -3.174) 4.286 7.830 ( -0.754 -2.779 3.174) 4.286 7.937 ( 0.405 -5.499 -1.014) 5.606 7.937 ( 0.405 -5.499 1.014) 5.606 8.040 ( -0.295 -2.278 -1.232) 2.607 8.040 ( -0.295 -2.278 1.232) 2.607 8.546 ( 2.710 -1.676 -2.712) 4.184 8.546 ( 2.710 -1.676 2.712) 4.184 8.812 ( -0.496 -2.112 -1.881) 2.871 8.812 ( -0.496 -2.112 1.881) 2.871 9.397 ( -0.456 -6.053 -0.434) 6.086 9.397 ( -0.456 -6.053 0.434) 6.086 9.410 ( 0.276 -7.129 -0.677) 7.166 9.410 ( 0.276 -7.129 0.677) 7.166 ======================= Grid point 174 (57/63) ======================= q-point: (-0.50 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.000 9.388 0.000) 9.388 1.637 ( 0.000 9.388 0.000) 9.388 1.785 ( 0.000 8.442 -0.000) 8.442 1.785 ( 0.000 8.442 0.000) 8.442 1.888 ( 0.000 10.711 0.000) 10.711 1.888 ( 0.000 10.711 0.000) 10.711 2.061 ( 0.000 11.499 0.000) 11.499 2.061 ( 0.000 11.499 0.000) 11.499 2.134 ( 0.000 4.904 -0.000) 4.904 2.134 ( 0.000 4.904 0.000) 4.904 2.339 ( 0.000 0.170 0.000) 0.170 2.339 ( 0.000 0.170 0.000) 0.170 2.458 ( 0.000 4.253 0.000) 4.253 2.458 ( 0.000 4.253 0.000) 4.253 2.597 ( 0.000 6.374 0.000) 6.374 2.597 ( 0.000 6.374 0.000) 6.374 2.816 ( 0.000 0.953 0.000) 0.953 2.816 ( 0.000 0.953 0.000) 0.953 2.943 ( 0.000 -1.802 -0.000) 1.802 2.943 ( 0.000 -1.802 0.000) 1.802 3.071 ( 0.000 3.384 -0.000) 3.384 3.071 ( -0.000 3.384 0.000) 3.384 3.306 ( 0.000 -5.128 0.000) 5.128 3.306 ( 0.000 -5.128 0.000) 5.128 3.629 ( 0.000 7.125 -0.000) 7.125 3.629 ( 0.000 7.125 0.000) 7.125 3.641 ( -0.000 1.888 -0.000) 1.888 3.641 ( 0.000 1.888 0.000) 1.888 3.768 ( 0.000 4.541 -0.000) 4.541 3.768 ( 0.000 4.541 0.000) 4.541 3.901 ( 0.000 10.147 -0.000) 10.147 3.901 ( 0.000 10.147 0.000) 10.147 3.991 ( 0.000 10.693 -0.000) 10.693 3.991 ( 0.000 10.693 0.000) 10.693 4.074 ( 0.000 3.290 -0.000) 3.290 4.074 ( 0.000 3.290 0.000) 3.290 4.202 ( 0.000 6.661 -0.000) 6.661 4.202 ( 0.000 6.661 0.000) 6.661 4.220 ( 0.000 8.582 -0.000) 8.582 4.220 ( 0.000 8.582 0.000) 8.582 5.672 ( 0.000 -0.454 0.000) 0.454 5.672 ( 0.000 -0.454 0.000) 0.454 5.730 ( 0.000 -1.519 0.000) 1.519 5.730 ( 0.000 -1.519 0.000) 1.519 6.076 ( 0.000 -1.775 -0.000) 1.775 6.076 ( 0.000 -1.775 0.000) 1.775 6.095 ( -0.000 -0.744 -0.000) 0.744 6.095 ( -0.000 -0.744 0.000) 0.744 6.462 ( -0.000 -1.807 0.000) 1.807 6.462 ( 0.000 -1.807 -0.000) 1.807 6.472 ( -0.000 -3.095 0.000) 3.095 6.472 ( 0.000 -3.095 0.000) 3.095 6.675 ( 0.000 3.486 -0.000) 3.486 6.675 ( 0.000 3.486 0.000) 3.486 6.700 ( 0.000 1.433 -0.000) 1.433 6.700 ( -0.000 1.433 0.000) 1.433 6.967 ( 0.000 1.857 0.000) 1.857 6.967 ( -0.000 1.857 0.000) 1.857 6.975 ( -0.000 1.898 -0.000) 1.898 6.975 ( 0.000 1.898 0.000) 1.898 7.214 ( -0.000 4.642 -0.000) 4.642 7.214 ( 0.000 4.642 0.000) 4.642 7.220 ( -0.000 4.086 -0.000) 4.086 7.220 ( -0.000 4.086 0.000) 4.086 7.466 ( -0.000 3.190 -0.000) 3.190 7.466 ( -0.000 3.190 0.000) 3.190 7.473 ( 0.000 5.627 -0.000) 5.627 7.473 ( 0.000 5.627 0.000) 5.627 7.594 ( 0.000 7.180 -0.000) 7.180 7.594 ( 0.000 7.180 0.000) 7.180 7.826 ( 0.000 -3.618 -0.000) 3.618 7.826 ( 0.000 -3.618 0.000) 3.618 7.943 ( 0.000 -6.124 0.000) 6.124 7.943 ( 0.000 -6.124 0.000) 6.124 8.034 ( 0.000 -3.107 0.000) 3.107 8.034 ( 0.000 -3.107 0.000) 3.107 8.582 ( 0.000 -1.259 -0.000) 1.259 8.582 ( 0.000 -1.259 0.000) 1.259 8.804 ( 0.000 -2.046 0.000) 2.046 8.804 ( 0.000 -2.046 0.000) 2.046 9.391 ( 0.000 -5.818 0.000) 5.818 9.391 ( 0.000 -5.818 0.000) 5.818 9.414 ( 0.000 -6.873 0.000) 6.873 9.414 ( 0.000 -6.873 0.000) 6.873 ======================= Grid point 180 (58/63) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 0.000 8.418 -0.944) 8.471 1.811 ( 0.000 8.418 0.944) 8.471 1.918 ( 0.000 3.418 -0.060) 3.419 1.918 ( 0.000 3.418 0.060) 3.419 2.063 ( 0.000 3.611 -1.260) 3.825 2.063 ( 0.000 3.611 1.260) 3.825 2.163 ( 0.000 6.539 -2.743) 7.091 2.163 ( 0.000 6.539 2.743) 7.091 2.349 ( 0.000 2.393 -2.425) 3.407 2.349 ( 0.000 2.393 2.425) 3.407 2.375 ( 0.000 4.544 -0.984) 4.650 2.375 ( 0.000 4.544 0.984) 4.650 2.571 ( 0.000 -1.746 -1.060) 2.043 2.571 ( 0.000 -1.746 1.060) 2.043 2.634 ( 0.000 -4.146 -4.548) 6.154 2.634 ( 0.000 -4.146 4.548) 6.154 2.685 ( 0.000 0.743 -0.024) 0.743 2.685 ( 0.000 0.743 0.024) 0.743 2.849 ( 0.000 -4.826 -1.644) 5.098 2.849 ( 0.000 -4.826 1.644) 5.098 3.103 ( 0.000 6.220 -0.149) 6.222 3.103 ( 0.000 6.220 0.149) 6.222 3.328 ( 0.000 -6.664 -1.984) 6.953 3.328 ( 0.000 -6.664 1.984) 6.953 3.379 ( 0.000 -0.704 -2.573) 2.667 3.379 ( 0.000 -0.704 2.573) 2.667 3.754 ( 0.000 4.863 -1.223) 5.015 3.754 ( 0.000 4.863 1.223) 5.015 3.940 ( 0.000 2.451 -0.372) 2.479 3.940 ( 0.000 2.451 0.372) 2.479 3.992 ( 0.000 5.767 -1.122) 5.875 3.992 ( 0.000 5.767 1.122) 5.875 4.135 ( 0.000 6.197 -0.120) 6.198 4.135 ( 0.000 6.197 0.120) 6.198 4.220 ( 0.000 0.440 -3.220) 3.250 4.220 ( 0.000 0.440 3.220) 3.250 4.348 ( 0.000 11.033 -3.469) 11.566 4.348 ( 0.000 11.033 3.469) 11.566 4.510 ( 0.000 15.763 -0.013) 15.763 4.510 ( 0.000 15.763 0.013) 15.763 5.619 ( 0.000 0.272 -0.691) 0.742 5.619 ( 0.000 0.272 0.691) 0.742 5.701 ( 0.000 0.142 -1.214) 1.222 5.701 ( 0.000 0.142 1.214) 1.222 5.935 ( 0.000 2.893 -0.795) 3.000 5.935 ( 0.000 2.893 0.795) 3.000 6.155 ( 0.000 -4.610 -1.821) 4.957 6.155 ( 0.000 -4.610 1.821) 4.957 6.405 ( 0.000 -1.504 -0.838) 1.722 6.405 ( 0.000 -1.504 0.838) 1.722 6.442 ( 0.000 -4.064 -0.531) 4.099 6.442 ( 0.000 -4.064 0.531) 4.099 6.736 ( 0.000 3.728 -2.592) 4.541 6.736 ( 0.000 3.728 2.592) 4.541 6.822 ( 0.000 0.950 -2.486) 2.661 6.822 ( 0.000 0.950 2.486) 2.661 6.917 ( 0.000 3.672 -2.268) 4.316 6.917 ( 0.000 3.672 2.268) 4.316 7.025 ( 0.000 -1.183 -3.020) 3.243 7.025 ( 0.000 -1.183 3.020) 3.243 7.286 ( 0.000 1.681 -2.563) 3.065 7.286 ( 0.000 1.681 2.563) 3.065 7.341 ( 0.000 2.564 -0.566) 2.626 7.341 ( 0.000 2.564 0.566) 2.626 7.448 ( 0.000 1.054 -2.368) 2.592 7.448 ( 0.000 1.054 2.368) 2.592 7.583 ( 0.000 2.227 -1.951) 2.960 7.583 ( 0.000 2.227 1.951) 2.960 7.659 ( 0.000 -1.072 -0.351) 1.128 7.659 ( 0.000 -1.072 0.351) 1.128 7.832 ( 0.000 -2.346 -1.311) 2.688 7.832 ( 0.000 -2.346 1.311) 2.688 7.884 ( 0.000 0.858 -1.024) 1.336 7.884 ( 0.000 0.858 1.024) 1.336 8.027 ( 0.000 -0.830 -2.142) 2.297 8.027 ( 0.000 -0.830 2.142) 2.297 8.495 ( 0.000 0.725 -3.049) 3.134 8.495 ( 0.000 0.725 3.049) 3.134 8.771 ( 0.000 -2.558 -0.323) 2.578 8.771 ( 0.000 -2.558 0.323) 2.578 9.296 ( 0.000 -3.752 -0.560) 3.794 9.296 ( 0.000 -3.752 0.560) 3.794 9.308 ( 0.000 -3.713 -0.210) 3.719 9.308 ( 0.000 -3.713 0.210) 3.719 ======================= Grid point 182 (59/63) ======================= q-point: ( 0.25 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -0.557 7.759 -0.510) 7.795 1.806 ( -0.557 7.759 0.510) 7.795 1.919 ( 0.333 4.756 -0.758) 4.827 1.919 ( 0.333 4.756 0.758) 4.827 2.068 ( 0.150 4.899 -1.199) 5.046 2.068 ( 0.150 4.899 1.199) 5.046 2.164 ( 0.559 4.399 -1.554) 4.699 2.164 ( 0.559 4.399 1.554) 4.699 2.298 ( -3.774 2.284 -2.082) 4.878 2.298 ( -3.774 2.284 2.082) 4.878 2.372 ( -0.240 5.561 -0.634) 5.602 2.372 ( -0.240 5.561 0.634) 5.602 2.549 ( -1.463 1.390 -0.349) 2.048 2.549 ( -1.463 1.390 0.349) 2.048 2.679 ( 1.016 0.699 -4.803) 4.959 2.679 ( 1.016 0.699 4.803) 4.959 2.713 ( 4.116 -5.275 -2.267) 7.064 2.713 ( 4.116 -5.275 2.267) 7.064 2.840 ( -0.788 -4.974 -4.824) 6.974 2.840 ( -0.788 -4.974 4.824) 6.974 3.120 ( 1.593 4.853 -3.436) 6.155 3.120 ( 1.593 4.853 3.436) 6.155 3.268 ( -3.930 -4.465 -4.400) 7.399 3.268 ( -3.930 -4.465 4.400) 7.399 3.469 ( 6.325 -2.940 -0.589) 7.000 3.469 ( 6.325 -2.940 0.589) 7.000 3.744 ( -1.812 1.915 -4.322) 5.063 3.744 ( -1.812 1.915 4.322) 5.063 3.929 ( 0.086 4.908 -1.586) 5.159 3.929 ( 0.086 4.908 1.586) 5.159 3.998 ( 0.041 4.854 -3.022) 5.718 3.998 ( 0.041 4.854 3.022) 5.718 4.124 ( -0.798 5.373 -0.419) 5.448 4.124 ( -0.798 5.373 0.419) 5.448 4.177 ( -2.669 1.871 -2.098) 3.876 4.177 ( -2.669 1.871 2.098) 3.876 4.402 ( 3.610 11.923 -1.874) 12.598 4.402 ( 3.610 11.923 1.874) 12.598 4.502 ( -0.858 15.465 -0.538) 15.498 4.502 ( -0.858 15.465 0.538) 15.498 5.647 ( 2.118 0.448 -0.715) 2.280 5.647 ( 2.118 0.448 0.715) 2.280 5.711 ( 0.516 0.119 -1.312) 1.415 5.711 ( 0.516 0.119 1.312) 1.415 5.972 ( 3.437 1.904 -0.799) 4.009 5.972 ( 3.437 1.904 0.799) 4.009 6.136 ( -1.870 -3.441 -1.573) 4.221 6.136 ( -1.870 -3.441 1.573) 4.221 6.406 ( 0.175 -1.589 -0.780) 1.778 6.406 ( 0.175 -1.589 0.780) 1.778 6.441 ( -0.425 -3.456 -0.395) 3.504 6.441 ( -0.425 -3.456 0.395) 3.504 6.703 ( -1.431 2.258 -1.496) 3.063 6.703 ( -1.431 2.258 1.496) 3.063 6.793 ( -3.218 1.015 -1.873) 3.860 6.793 ( -3.218 1.015 1.873) 3.860 6.951 ( 2.579 2.583 -3.773) 5.250 6.951 ( 2.579 2.583 3.773) 5.250 7.012 ( -0.768 -0.619 -3.066) 3.221 7.012 ( -0.768 -0.619 3.066) 3.221 7.278 ( -0.643 2.040 -1.556) 2.645 7.278 ( -0.643 2.040 1.556) 2.645 7.322 ( -1.655 2.333 -1.054) 3.048 7.322 ( -1.655 2.333 1.054) 3.048 7.446 ( 1.368 1.974 -2.589) 3.531 7.446 ( 1.368 1.974 2.589) 3.531 7.627 ( 1.559 0.453 -2.037) 2.604 7.627 ( 1.559 0.453 2.037) 2.604 7.666 ( 0.131 2.360 -3.246) 4.015 7.666 ( 0.131 2.360 3.246) 4.015 7.780 ( -3.326 -1.818 -1.637) 4.129 7.780 ( -3.326 -1.818 1.637) 4.129 7.865 ( -0.713 -1.452 -1.755) 2.386 7.865 ( -0.713 -1.452 1.755) 2.386 8.005 ( -1.667 -1.798 -2.009) 3.169 8.005 ( -1.667 -1.798 2.009) 3.169 8.545 ( 3.443 1.336 -2.377) 4.392 8.545 ( 3.443 1.336 2.377) 4.392 8.766 ( -0.412 -2.525 -0.616) 2.632 8.766 ( -0.412 -2.525 0.616) 2.632 9.301 ( 0.273 -3.603 -0.784) 3.698 9.301 ( 0.273 -3.603 0.784) 3.698 9.308 ( 0.063 -3.641 -0.612) 3.692 9.308 ( 0.063 -3.641 0.612) 3.692 ======================= Grid point 184 (60/63) ======================= q-point: (-0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.000 7.302 0.000) 7.302 1.797 ( 0.000 7.302 0.000) 7.302 1.927 ( 0.000 6.146 -0.000) 6.146 1.927 ( 0.000 6.146 0.000) 6.146 2.066 ( 0.000 5.906 0.000) 5.906 2.066 ( 0.000 5.906 0.000) 5.906 2.189 ( 0.000 -1.075 0.000) 1.075 2.189 ( -0.000 -1.075 0.000) 1.075 2.234 ( 0.000 6.620 -0.000) 6.620 2.234 ( 0.000 6.620 0.000) 6.620 2.368 ( 0.000 5.466 0.000) 5.466 2.368 ( 0.000 5.466 0.000) 5.466 2.531 ( 0.000 3.131 -0.000) 3.131 2.531 ( 0.000 3.131 0.000) 3.131 2.685 ( 0.000 2.276 -0.000) 2.276 2.685 ( 0.000 2.276 0.000) 2.276 2.782 ( 0.000 -4.176 -0.000) 4.176 2.782 ( 0.000 -4.176 0.000) 4.176 2.821 ( 0.000 -7.880 -0.000) 7.880 2.821 ( 0.000 -7.880 0.000) 7.880 3.158 ( -0.000 3.836 -0.000) 3.836 3.158 ( 0.000 3.836 0.000) 3.836 3.201 ( 0.000 -3.596 0.000) 3.596 3.201 ( 0.000 -3.596 0.000) 3.596 3.575 ( 0.000 -3.772 0.000) 3.772 3.575 ( 0.000 -3.772 0.000) 3.772 3.690 ( -0.000 -1.674 -0.000) 1.674 3.690 ( 0.000 -1.674 0.000) 1.674 3.945 ( -0.000 8.758 -0.000) 8.758 3.945 ( 0.000 8.758 0.000) 8.758 3.991 ( 0.000 3.392 -0.000) 3.392 3.991 ( 0.000 3.392 0.000) 3.392 4.115 ( 0.000 3.641 -0.000) 3.641 4.115 ( 0.000 3.641 0.000) 3.641 4.141 ( 0.000 3.499 -0.000) 3.499 4.141 ( 0.000 3.499 0.000) 3.499 4.463 ( -0.000 14.527 -0.000) 14.527 4.463 ( 0.000 14.527 0.000) 14.527 4.474 ( -0.000 13.861 0.000) 13.861 4.474 ( 0.000 13.861 0.000) 13.861 5.678 ( -0.000 1.027 0.000) 1.027 5.678 ( 0.000 1.027 0.000) 1.027 5.714 ( -0.000 -0.206 0.000) 0.206 5.714 ( 0.000 -0.206 0.000) 0.206 6.051 ( 0.000 -0.650 0.000) 0.650 6.051 ( 0.000 -0.650 0.000) 0.650 6.081 ( 0.000 -0.715 0.000) 0.715 6.081 ( 0.000 -0.715 0.000) 0.715 6.418 ( -0.000 -2.263 0.000) 2.263 6.418 ( 0.000 -2.263 0.000) 2.263 6.422 ( -0.000 -2.089 -0.000) 2.089 6.422 ( 0.000 -2.089 -0.000) 2.089 6.717 ( 0.000 1.110 -0.000) 1.110 6.717 ( 0.000 1.110 0.000) 1.110 6.717 ( -0.000 0.506 -0.000) 0.506 6.717 ( -0.000 0.506 0.000) 0.506 6.994 ( 0.000 0.865 0.000) 0.865 6.994 ( -0.000 0.865 0.000) 0.865 6.997 ( -0.000 0.417 -0.000) 0.417 6.997 ( 0.000 0.417 -0.000) 0.417 7.278 ( 0.000 2.390 -0.000) 2.390 7.278 ( 0.000 2.390 0.000) 2.390 7.285 ( -0.000 2.488 -0.000) 2.488 7.285 ( -0.000 2.488 0.000) 2.488 7.531 ( -0.000 2.952 -0.000) 2.952 7.531 ( 0.000 2.952 0.000) 2.952 7.539 ( 0.000 1.278 -0.000) 1.278 7.539 ( 0.000 1.278 0.000) 1.278 7.695 ( 0.000 2.609 -0.000) 2.609 7.695 ( 0.000 2.609 0.000) 2.609 7.757 ( 0.000 -2.464 -0.000) 2.464 7.757 ( 0.000 -2.464 0.000) 2.464 7.856 ( 0.000 -2.053 0.000) 2.053 7.856 ( 0.000 -2.053 0.000) 2.053 7.981 ( 0.000 -2.820 0.000) 2.820 7.981 ( 0.000 -2.820 0.000) 2.820 8.590 ( 0.000 1.860 0.000) 1.860 8.590 ( 0.000 1.860 0.000) 1.860 8.760 ( 0.000 -2.585 0.000) 2.585 8.760 ( 0.000 -2.585 0.000) 2.585 9.303 ( 0.000 -3.239 0.000) 3.239 9.303 ( 0.000 -3.239 0.000) 3.239 9.311 ( 0.000 -3.782 -0.000) 3.782 9.311 ( 0.000 -3.782 0.000) 3.782 ======================= Grid point 190 (61/63) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 0.000 2.501 -0.758) 2.614 1.944 ( 0.000 2.501 0.758) 2.614 1.978 ( 0.000 5.719 -0.585) 5.749 1.978 ( 0.000 5.719 0.585) 5.749 2.069 ( 0.000 -1.543 -0.130) 1.548 2.069 ( 0.000 -1.543 0.130) 1.548 2.168 ( 0.000 -5.524 -0.477) 5.544 2.168 ( 0.000 -5.524 0.477) 5.544 2.392 ( 0.000 6.170 -0.370) 6.181 2.392 ( 0.000 6.170 0.370) 6.181 2.486 ( 0.000 -2.047 -1.255) 2.401 2.486 ( 0.000 -2.047 1.255) 2.401 2.554 ( 0.000 5.534 -3.029) 6.309 2.554 ( 0.000 5.534 3.029) 6.309 2.609 ( 0.000 -0.113 -0.413) 0.428 2.609 ( 0.000 -0.113 0.413) 0.428 2.671 ( 0.000 -2.973 -2.548) 3.916 2.671 ( 0.000 -2.973 2.548) 3.916 2.749 ( 0.000 -3.789 -1.222) 3.981 2.749 ( 0.000 -3.789 1.222) 3.981 3.190 ( 0.000 2.537 -0.991) 2.724 3.190 ( 0.000 2.537 0.991) 2.724 3.238 ( 0.000 -2.529 -0.021) 2.529 3.238 ( 0.000 -2.529 0.021) 2.529 3.362 ( 0.000 -0.677 -0.614) 0.914 3.362 ( 0.000 -0.677 0.614) 0.914 3.814 ( 0.000 1.493 -0.421) 1.551 3.814 ( 0.000 1.493 0.421) 1.551 3.982 ( 0.000 1.326 -1.067) 1.703 3.982 ( 0.000 1.326 1.067) 1.703 4.073 ( 0.000 2.777 -1.627) 3.219 4.073 ( 0.000 2.777 1.627) 3.219 4.188 ( 0.000 -1.553 -0.897) 1.794 4.188 ( 0.000 -1.553 0.897) 1.794 4.236 ( 0.000 2.629 -2.726) 3.787 4.236 ( 0.000 2.629 2.726) 3.787 4.513 ( 0.000 4.685 -0.684) 4.735 4.513 ( 0.000 4.685 0.684) 4.735 4.738 ( 0.000 6.385 -0.499) 6.404 4.738 ( 0.000 6.385 0.499) 6.404 5.632 ( 0.000 0.589 -0.329) 0.675 5.632 ( 0.000 0.589 0.329) 0.675 5.710 ( 0.000 0.404 -0.450) 0.605 5.710 ( 0.000 0.404 0.450) 0.605 5.999 ( 0.000 3.512 -0.489) 3.546 5.999 ( 0.000 3.512 0.489) 3.546 6.071 ( 0.000 -3.959 -0.458) 3.985 6.071 ( 0.000 -3.959 0.458) 3.985 6.378 ( 0.000 -1.439 -1.302) 1.941 6.378 ( 0.000 -1.439 1.302) 1.941 6.386 ( 0.000 -1.005 -0.544) 1.143 6.386 ( 0.000 -1.005 0.544) 1.143 6.794 ( 0.000 1.454 -1.034) 1.784 6.794 ( 0.000 1.454 1.034) 1.784 6.849 ( 0.000 2.599 -4.183) 4.925 6.849 ( 0.000 2.599 4.183) 4.925 6.923 ( 0.000 -2.734 -4.491) 5.258 6.923 ( 0.000 -2.734 4.491) 5.258 7.021 ( 0.000 0.799 -0.751) 1.097 7.021 ( 0.000 0.799 0.751) 1.097 7.315 ( 0.000 1.310 -1.131) 1.731 7.315 ( 0.000 1.310 1.131) 1.731 7.356 ( 0.000 -0.756 -0.981) 1.238 7.356 ( 0.000 -0.756 0.981) 1.238 7.450 ( 0.000 -0.132 -0.689) 0.701 7.450 ( 0.000 -0.132 0.689) 0.701 7.614 ( 0.000 0.992 -1.753) 2.014 7.614 ( 0.000 0.992 1.753) 2.014 7.649 ( 0.000 -0.130 -1.536) 1.541 7.649 ( 0.000 -0.130 1.536) 1.541 7.792 ( 0.000 -1.236 -1.168) 1.701 7.792 ( 0.000 -1.236 1.168) 1.701 7.923 ( 0.000 2.178 -0.576) 2.253 7.923 ( 0.000 2.178 0.576) 2.253 7.999 ( 0.000 -1.713 -1.732) 2.436 7.999 ( 0.000 -1.713 1.732) 2.436 8.517 ( 0.000 0.967 -1.243) 1.575 8.517 ( 0.000 0.967 1.243) 1.575 8.729 ( 0.000 -1.404 -0.306) 1.437 8.729 ( 0.000 -1.404 0.306) 1.437 9.253 ( 0.000 -0.880 -0.005) 0.880 9.253 ( 0.000 -0.880 0.005) 0.880 9.259 ( 0.000 -1.322 -0.069) 1.324 9.259 ( 0.000 -1.322 0.069) 1.324 ======================= Grid point 192 (62/63) ======================= q-point: ( 0.25 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -0.379 5.336 -0.755) 5.402 1.938 ( -0.379 5.336 0.755) 5.402 1.996 ( 1.541 3.532 -1.011) 3.984 1.996 ( 1.541 3.532 1.011) 3.984 2.077 ( 0.570 -2.564 -0.346) 2.649 2.077 ( 0.570 -2.564 0.346) 2.649 2.141 ( -2.285 -4.353 -0.638) 4.957 2.141 ( -2.285 -4.353 0.638) 4.957 2.391 ( 0.147 7.316 -0.358) 7.326 2.391 ( 0.147 7.316 0.358) 7.326 2.490 ( 0.042 0.677 -1.105) 1.297 2.490 ( 0.042 0.677 1.105) 1.297 2.561 ( 0.532 2.418 -1.723) 3.017 2.561 ( 0.532 2.418 1.723) 3.017 2.627 ( 1.646 -1.407 -2.389) 3.225 2.627 ( 1.646 -1.407 2.389) 3.225 2.677 ( 0.573 -2.860 -2.793) 4.038 2.677 ( 0.573 -2.860 2.793) 4.038 2.743 ( -0.786 -3.337 -1.415) 3.709 2.743 ( -0.786 -3.337 1.415) 3.709 3.186 ( -0.332 1.893 -1.015) 2.173 3.186 ( -0.332 1.893 1.015) 2.173 3.213 ( -1.485 -1.500 -2.361) 3.167 3.213 ( -1.485 -1.500 2.361) 3.167 3.431 ( 5.552 -0.925 -0.440) 5.645 3.431 ( 5.552 -0.925 0.440) 5.645 3.745 ( -6.099 -0.503 -2.171) 6.494 3.745 ( -6.099 -0.503 2.171) 6.494 3.996 ( 1.709 1.677 -0.644) 2.479 3.996 ( 1.709 1.677 0.644) 2.479 4.069 ( -0.630 1.986 -1.841) 2.780 4.069 ( -0.630 1.986 1.841) 2.780 4.182 ( -0.243 0.507 -0.600) 0.822 4.182 ( -0.243 0.507 0.600) 0.822 4.223 ( -1.184 2.617 -2.163) 3.596 4.223 ( -1.184 2.617 2.163) 3.596 4.574 ( 4.669 4.818 -0.431) 6.723 4.574 ( 4.669 4.818 0.431) 6.723 4.723 ( -1.513 6.158 -0.483) 6.359 4.723 ( -1.513 6.158 0.483) 6.359 5.661 ( 2.337 0.612 -0.350) 2.441 5.661 ( 2.337 0.612 0.350) 2.441 5.718 ( 0.421 0.358 -0.516) 0.756 5.718 ( 0.421 0.358 0.516) 0.756 6.017 ( 1.663 2.629 -0.479) 3.148 6.017 ( 1.663 2.629 0.479) 3.148 6.072 ( -0.004 -3.046 -0.440) 3.078 6.072 ( -0.004 -3.046 0.440) 3.078 6.382 ( 0.246 -0.740 -1.168) 1.405 6.382 ( 0.246 -0.740 1.168) 1.405 6.390 ( 0.234 -1.457 -0.592) 1.590 6.390 ( 0.234 -1.457 0.592) 1.590 6.736 ( -2.937 0.909 -0.179) 3.079 6.736 ( -2.937 0.909 0.179) 3.079 6.811 ( -4.110 0.801 -2.286) 4.771 6.811 ( -4.110 0.801 2.286) 4.771 6.956 ( 2.430 -1.077 -3.008) 4.014 6.956 ( 2.430 -1.077 3.008) 4.014 7.017 ( -0.400 0.708 -0.821) 1.156 7.017 ( -0.400 0.708 0.821) 1.156 7.308 ( -0.414 1.009 -0.637) 1.263 7.308 ( -0.414 1.009 0.637) 1.263 7.350 ( -1.257 0.553 -0.155) 1.382 7.350 ( -1.257 0.553 0.155) 1.382 7.453 ( 2.072 -0.492 -0.450) 2.177 7.453 ( 2.072 -0.492 0.450) 2.177 7.636 ( 0.364 0.646 -1.860) 2.003 7.636 ( 0.364 0.646 1.860) 2.003 7.683 ( 2.312 -0.215 -2.163) 3.173 7.683 ( 2.312 -0.215 2.163) 3.173 7.760 ( -2.946 -0.359 -0.786) 3.071 7.760 ( -2.946 -0.359 0.786) 3.071 7.872 ( -2.282 1.180 -1.545) 2.998 7.872 ( -2.282 1.180 1.545) 2.998 7.967 ( -2.608 -1.720 -1.588) 3.504 7.967 ( -2.608 -1.720 1.588) 3.504 8.579 ( 4.344 1.476 -1.090) 4.715 8.579 ( 4.344 1.476 1.090) 4.715 8.722 ( -0.738 -1.651 -0.422) 1.857 8.722 ( -0.738 -1.651 0.422) 1.857 9.258 ( 0.327 -0.969 -0.137) 1.032 9.258 ( 0.327 -0.969 0.137) 1.032 9.262 ( 0.179 -1.191 -0.174) 1.217 9.262 ( 0.179 -1.191 0.174) 1.217 ======================= Grid point 194 (63/63) ======================= q-point: (-0.50 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.000 7.070 0.000) 7.070 1.934 ( 0.000 7.070 0.000) 7.070 2.024 ( 0.000 3.109 -0.000) 3.109 2.024 ( 0.000 3.109 0.000) 3.109 2.088 ( -0.000 -6.140 -0.000) 6.140 2.088 ( 0.000 -6.140 -0.000) 6.140 2.097 ( -0.000 -1.576 0.000) 1.576 2.097 ( 0.000 -1.576 0.000) 1.576 2.396 ( 0.000 8.640 0.000) 8.640 2.396 ( 0.000 8.640 0.000) 8.640 2.487 ( 0.000 3.217 0.000) 3.217 2.487 ( 0.000 3.217 0.000) 3.217 2.567 ( 0.000 0.866 0.000) 0.866 2.567 ( 0.000 0.866 0.000) 0.866 2.652 ( 0.000 -5.501 -0.000) 5.501 2.652 ( 0.000 -5.501 0.000) 5.501 2.703 ( 0.000 -2.469 -0.000) 2.469 2.703 ( 0.000 -2.469 0.000) 2.469 2.714 ( -0.000 -1.772 -0.000) 1.772 2.714 ( -0.000 -1.772 0.000) 1.772 3.180 ( 0.000 0.772 -0.000) 0.772 3.180 ( 0.000 0.772 0.000) 0.772 3.196 ( 0.000 0.059 0.000) 0.059 3.196 ( 0.000 0.059 0.000) 0.059 3.550 ( -0.000 1.448 0.000) 1.448 3.550 ( 0.000 1.448 0.000) 1.448 3.616 ( -0.000 -4.583 -0.000) 4.583 3.616 ( 0.000 -4.583 0.000) 4.583 4.040 ( 0.000 1.424 -0.000) 1.424 4.040 ( 0.000 1.424 0.000) 1.424 4.042 ( -0.000 1.594 -0.000) 1.594 4.042 ( -0.000 1.594 0.000) 1.594 4.185 ( 0.000 3.071 -0.000) 3.071 4.185 ( 0.000 3.071 0.000) 3.071 4.200 ( 0.000 1.679 -0.000) 1.679 4.200 ( 0.000 1.679 0.000) 1.679 4.667 ( -0.000 5.663 -0.000) 5.663 4.667 ( 0.000 5.663 -0.000) 5.663 4.670 ( -0.000 5.375 0.000) 5.375 4.670 ( 0.000 5.375 0.000) 5.375 5.702 ( -0.000 1.122 0.000) 1.122 5.702 ( 0.000 1.122 0.000) 1.122 5.714 ( -0.000 -0.106 0.000) 0.106 5.714 ( 0.000 -0.106 0.000) 0.106 6.050 ( 0.000 0.469 0.000) 0.469 6.050 ( 0.000 0.469 0.000) 0.469 6.065 ( 0.000 -0.921 -0.000) 0.921 6.065 ( 0.000 -0.921 0.000) 0.921 6.387 ( 0.000 -0.746 0.000) 0.746 6.387 ( 0.000 -0.746 0.000) 0.746 6.391 ( 0.000 -1.042 -0.000) 1.042 6.391 ( -0.000 -1.042 0.000) 1.042 6.725 ( 0.000 0.350 -0.000) 0.350 6.725 ( 0.000 0.350 0.000) 0.350 6.728 ( -0.000 0.163 -0.000) 0.163 6.728 ( -0.000 0.163 0.000) 0.163 6.998 ( -0.000 -0.033 0.000) 0.033 6.998 ( 0.000 -0.033 0.000) 0.033 7.000 ( -0.000 -0.090 -0.000) 0.090 7.000 ( 0.000 -0.090 -0.000) 0.090 7.313 ( 0.000 1.085 -0.000) 1.085 7.313 ( 0.000 1.085 0.000) 1.085 7.316 ( -0.000 0.758 -0.000) 0.758 7.316 ( -0.000 0.758 0.000) 0.758 7.547 ( 0.000 0.263 -0.000) 0.263 7.547 ( 0.000 0.263 0.000) 0.263 7.558 ( -0.000 -0.307 -0.000) 0.307 7.558 ( 0.000 -0.307 0.000) 0.307 7.717 ( -0.000 0.791 -0.000) 0.791 7.717 ( 0.000 0.791 0.000) 0.791 7.732 ( 0.000 -0.689 -0.000) 0.689 7.732 ( 0.000 -0.689 0.000) 0.689 7.865 ( 0.000 2.122 -0.000) 2.122 7.865 ( 0.000 2.122 0.000) 2.122 7.920 ( 0.000 -3.261 0.000) 3.261 7.920 ( 0.000 -3.261 0.000) 3.261 8.642 ( 0.000 3.138 0.000) 3.138 8.642 ( 0.000 3.138 0.000) 3.138 8.704 ( 0.000 -3.110 0.000) 3.110 8.704 ( 0.000 -3.110 0.000) 3.110 9.263 ( 0.000 -0.971 -0.000) 0.971 9.263 ( -0.000 -0.971 0.000) 0.971 9.264 ( 0.000 -1.147 -0.000) 1.147 9.264 ( 0.000 -1.147 0.000) 1.147 =================== 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 3/17472 10.0 375.261 722.436 650.188 0.000 0.000 -0.000 3/17472 20.0 71.003 181.299 114.928 0.000 0.000 -0.000 3/17472 30.0 25.388 76.878 41.574 0.000 0.000 -0.000 3/17472 40.0 13.331 44.822 22.255 0.000 0.000 -0.000 3/17472 50.0 8.570 30.465 14.451 0.000 0.000 -0.000 3/17472 60.0 6.169 22.562 10.428 0.000 0.000 -0.000 3/17472 70.0 4.768 17.685 8.043 0.000 0.000 -0.000 3/17472 80.0 3.869 14.445 6.498 0.000 0.000 -0.000 3/17472 90.0 3.251 12.171 5.431 0.000 0.000 -0.000 3/17472 100.0 2.803 10.504 4.658 0.000 0.000 -0.000 3/17472 110.0 2.465 9.236 4.076 0.000 0.000 -0.000 3/17472 120.0 2.202 8.244 3.624 0.000 0.000 -0.000 3/17472 130.0 1.991 7.448 3.263 0.000 0.000 -0.000 3/17472 140.0 1.818 6.795 2.969 0.000 0.000 -0.000 3/17472 150.0 1.674 6.251 2.724 0.000 0.000 -0.000 3/17472 160.0 1.552 5.790 2.518 0.000 0.000 -0.000 3/17472 170.0 1.447 5.395 2.342 0.000 0.000 -0.000 3/17472 180.0 1.356 5.052 2.189 0.000 0.000 -0.000 3/17472 190.0 1.276 4.751 2.056 0.000 0.000 -0.000 3/17472 200.0 1.206 4.485 1.939 0.000 0.000 -0.000 3/17472 210.0 1.143 4.249 1.835 0.000 0.000 -0.000 3/17472 220.0 1.086 4.036 1.741 0.000 0.000 -0.000 3/17472 230.0 1.035 3.845 1.657 0.000 0.000 -0.000 3/17472 240.0 0.989 3.672 1.581 0.000 0.000 -0.000 3/17472 250.0 0.947 3.514 1.512 0.000 0.000 -0.000 3/17472 260.0 0.908 3.369 1.449 0.000 0.000 -0.000 3/17472 270.0 0.872 3.236 1.391 0.000 0.000 -0.000 3/17472 280.0 0.839 3.114 1.338 0.000 0.000 -0.000 3/17472 290.0 0.809 3.000 1.288 0.000 0.000 -0.000 3/17472 300.0 0.781 2.895 1.242 0.000 0.000 -0.000 3/17472 310.0 0.755 2.797 1.200 0.000 0.000 -0.000 3/17472 320.0 0.730 2.706 1.160 0.000 0.000 -0.000 3/17472 330.0 0.707 2.620 1.123 0.000 0.000 -0.000 3/17472 340.0 0.686 2.540 1.088 0.000 0.000 -0.000 3/17472 350.0 0.665 2.465 1.056 0.000 0.000 -0.000 3/17472 360.0 0.646 2.394 1.025 0.000 0.000 -0.000 3/17472 370.0 0.628 2.327 0.996 0.000 0.000 -0.000 3/17472 380.0 0.611 2.264 0.969 0.000 0.000 -0.000 3/17472 390.0 0.595 2.204 0.943 0.000 0.000 -0.000 3/17472 400.0 0.580 2.147 0.919 0.000 0.000 -0.000 3/17472 410.0 0.566 2.093 0.896 0.000 0.000 -0.000 3/17472 420.0 0.552 2.042 0.874 0.000 0.000 -0.000 3/17472 430.0 0.539 1.994 0.853 0.000 0.000 -0.000 3/17472 440.0 0.526 1.947 0.833 0.000 0.000 -0.000 3/17472 450.0 0.514 1.903 0.814 0.000 0.000 -0.000 3/17472 460.0 0.503 1.861 0.795 0.000 0.000 -0.000 3/17472 470.0 0.492 1.820 0.778 0.000 0.000 -0.000 3/17472 480.0 0.482 1.782 0.761 0.000 0.000 -0.000 3/17472 490.0 0.472 1.745 0.746 0.000 0.000 -0.000 3/17472 500.0 0.462 1.709 0.730 0.000 0.000 -0.000 3/17472 510.0 0.453 1.675 0.716 0.000 0.000 -0.000 3/17472 520.0 0.444 1.642 0.702 0.000 0.000 -0.000 3/17472 530.0 0.436 1.611 0.688 0.000 0.000 -0.000 3/17472 540.0 0.427 1.581 0.675 0.000 0.000 -0.000 3/17472 550.0 0.419 1.552 0.663 0.000 0.000 -0.000 3/17472 560.0 0.412 1.523 0.650 0.000 0.000 -0.000 3/17472 570.0 0.405 1.496 0.639 0.000 0.000 -0.000 3/17472 580.0 0.398 1.470 0.628 0.000 0.000 -0.000 3/17472 590.0 0.391 1.445 0.617 0.000 0.000 -0.000 3/17472 600.0 0.384 1.421 0.606 0.000 0.000 -0.000 3/17472 610.0 0.378 1.397 0.596 0.000 0.000 -0.000 3/17472 620.0 0.372 1.374 0.587 0.000 0.000 -0.000 3/17472 630.0 0.366 1.352 0.577 0.000 0.000 -0.000 3/17472 640.0 0.360 1.331 0.568 0.000 0.000 -0.000 3/17472 650.0 0.354 1.310 0.559 0.000 0.000 -0.000 3/17472 660.0 0.349 1.290 0.551 0.000 0.000 -0.000 3/17472 670.0 0.344 1.271 0.542 0.000 0.000 -0.000 3/17472 680.0 0.339 1.252 0.534 0.000 0.000 -0.000 3/17472 690.0 0.334 1.234 0.526 0.000 0.000 -0.000 3/17472 700.0 0.329 1.216 0.519 0.000 0.000 -0.000 3/17472 710.0 0.324 1.199 0.511 0.000 0.000 -0.000 3/17472 720.0 0.320 1.182 0.504 0.000 0.000 -0.000 3/17472 730.0 0.315 1.166 0.497 0.000 0.000 -0.000 3/17472 740.0 0.311 1.150 0.490 0.000 0.000 -0.000 3/17472 750.0 0.307 1.134 0.484 0.000 0.000 -0.000 3/17472 760.0 0.303 1.119 0.477 0.000 0.000 -0.000 3/17472 770.0 0.299 1.105 0.471 0.000 0.000 -0.000 3/17472 780.0 0.295 1.090 0.465 0.000 0.000 -0.000 3/17472 790.0 0.291 1.076 0.459 0.000 0.000 -0.000 3/17472 800.0 0.288 1.063 0.453 0.000 0.000 -0.000 3/17472 810.0 0.284 1.050 0.448 0.000 0.000 -0.000 3/17472 820.0 0.280 1.037 0.442 0.000 0.000 -0.000 3/17472 830.0 0.277 1.024 0.437 0.000 0.000 -0.000 3/17472 840.0 0.274 1.012 0.432 0.000 0.000 -0.000 3/17472 850.0 0.271 1.000 0.426 0.000 0.000 -0.000 3/17472 860.0 0.267 0.988 0.421 0.000 0.000 -0.000 3/17472 870.0 0.264 0.977 0.417 0.000 0.000 -0.000 3/17472 880.0 0.261 0.966 0.412 0.000 0.000 -0.000 3/17472 890.0 0.258 0.955 0.407 0.000 0.000 -0.000 3/17472 900.0 0.255 0.944 0.403 0.000 0.000 -0.000 3/17472 910.0 0.253 0.934 0.398 0.000 0.000 -0.000 3/17472 920.0 0.250 0.924 0.394 0.000 0.000 -0.000 3/17472 930.0 0.247 0.914 0.389 0.000 0.000 -0.000 3/17472 940.0 0.245 0.904 0.385 0.000 0.000 -0.000 3/17472 950.0 0.242 0.894 0.381 0.000 0.000 -0.000 3/17472 960.0 0.239 0.885 0.377 0.000 0.000 -0.000 3/17472 970.0 0.237 0.876 0.373 0.000 0.000 -0.000 3/17472 980.0 0.235 0.867 0.369 0.000 0.000 -0.000 3/17472 990.0 0.232 0.858 0.366 0.000 0.000 -0.000 3/17472 1000.0 0.230 0.849 0.362 0.000 0.000 -0.000 3/17472 Thermal conductivity related properties were written into "kappa-m4134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:53:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|